--- DelPhi Output --- Time> Program started on 2019-12-24 at 8:6:4 ______________________DelPhi C++ V. 7.0________________________ | | | DelPhi, originally developed in Barry Honig's lab, solves | | the Poisson-Boltzmann equation in 3D grid by using | | Finite-Difference method. It allows for assigning various | | dielectric regions and applying different boundary conditions.| | The calculated energy components are less grid dependent | | due to induced surface charges method implemented in DelPhi. | | | | The new version DelPhi C++, is object oriented package | | complemented with OpenMP and improved speed and memory usage. | | | | The following reference should be quoted if the use of Delphi | | V. 7.0 results to a publication: | | | | Li, L.; Li, C. A.; Sarkar, S.; Zhang, J.; Witham, S.; | | Zhang, Z.; Wang, L.; Smith, N.; Petukh, M.; Alexov, E. | | Bmc Biophys 2012, 5. | | | | For questions and help, visit | | http://compbio.clemson.edu/forum/ | | or email to delphi@g.clemson.edu | | | | Sep 2016, by DelPhi Development Team | |____________________ ________________________| DelPhi C++ V. 7.0 Time> Program started on 2019-12-24 at 8:6:4 No DELPHI keyword, assuming Delphi Format number = 0 Time> Time to read in and/or assign rad/chrg :2.683 sec Direct mapping of epsilon : 1/Y Grid size : 151 Percent of box occupied : 60.000 Scale,in grids (1/A) : 1.200 xmin,xmax (A) : -63.236 12.731 ymin,ymax (A) : -26.151 37.598 zmin,zmax (A) : -51.563 18.994 x,y,z range (A) : 75.967 63.749 70.557 System geometric center (A) : -25.252 5.723 -16.285 Grid box is centered (A) : -25.252 5.723 -16.285 Object centre offset (gu) : 0.000 0.000 0.000 Outer dielectric : 80.000 Dielectric in Medium 1 : 2.000 First kind salt [C] (M) : 0.000 Valences salt 1 are : 1 1 Ionic strength (M) : 0.000 Debye length (A) : 1000000.000 Absolute temperature (K) : 297.334 Ion exclusion [r] (A) : 0.000 Probe[r] facing water (A) : 1.400 Probe[r] internal (A) : 1.400 Boundary conditions : COULOMBIC # of linear iterations : Automatic Ionic strength=0 ==> only linear iterations GAUSSIAN module : OFF CONVOLUTE module : OFF Surface potential calculations : OFF initial cube size too small << in assigning accessible points to a grid therefore rescaling... Total number of assigned charges : 3116 Net assigned charge : -401.557 Assigned positive charge : 392.751 Centred at (gu) : 75.091 75.868 74.749 Assigned negative charge : -794.307 Centred at (gu) : 75.114 75.796 74.731 Estimated iterations to convergence : 334 ---------------------------------------------------------------- rms-change max change #iterations ---------------------------------------------------------------- 7.377e+000 2.612e+002 at 10 iterations 4.212e+000 1.657e+002 at 20 iterations 2.387e+000 8.404e+001 at 30 iterations 1.584e+000 5.530e+001 at 40 iterations 1.008e+000 3.449e+001 at 50 iterations 6.562e-001 2.366e+001 at 60 iterations 4.365e-001 1.264e+001 at 70 iterations 2.751e-001 8.019e+000 at 80 iterations 1.917e-001 5.777e+000 at 90 iterations 1.256e-001 3.066e+000 at 100 iterations 8.518e-002 1.833e+000 at 110 iterations 6.419e-002 1.222e+000 at 120 iterations 4.283e-002 7.918e-001 at 130 iterations 3.018e-002 4.440e-001 at 140 iterations 2.261e-002 3.243e-001 at 150 iterations 1.601e-002 2.013e-001 at 160 iterations 1.165e-002 1.274e-001 at 170 iterations 8.492e-003 8.945e-002 at 180 iterations 6.160e-003 5.866e-002 at 190 iterations 4.501e-003 3.575e-002 at 200 iterations 3.301e-003 2.578e-002 at 210 iterations 2.410e-003 1.541e-002 at 220 iterations 1.771e-003 1.227e-002 at 230 iterations 1.292e-003 7.612e-003 at 240 iterations 9.456e-004 5.125e-003 at 250 iterations 6.939e-004 3.638e-003 at 260 iterations 5.084e-004 2.664e-003 at 270 iterations 3.718e-004 1.775e-003 at 280 iterations 2.722e-004 1.269e-003 at 290 iterations 1.998e-004 9.325e-004 at 300 iterations 1.464e-004 6.584e-004 at 310 iterations 1.071e-004 4.733e-004 at 320 iterations 7.854e-005 3.510e-004 at 330 iterations ---------------------------------------------------------------- Info> Iteration ended with final rms-change of 7.854e-005 Time> Finished qdiffx linear iterations 2019-12-24 at 8:7:21 ---------------------------------------------------------------- Energy> Total grid energy : 158326.41 kT Energy> Corrected reaction field energy : -886878.68 kT Energy> Coulombic energy : 865496.84 kT Energy> All required energy terms but grid energy : -21381.84 kT writing potential map in DELPHI format potential map written to file tmpr9atft Time> Total CPU time is 0:1:19 Time> Delphi exited on 2019-12-24 at 8:7:24 ......... PROGRAM EXITS SUCCESSFULLY : WITH TOTAL 1305 WARNING(S) ........ [1;34m[WARNING #1] STATEMENT "CS=false" IS OBSOLETE (TAKING NO ACTION ON THIS STATEMENT) [0m [1;34m[WARNING #2] STATEMENT "LG=false" IS OBSOLETE (TAKING NO ACTION ON THIS STATEMENT) [0m [1;34m[WARNING #3] STATEMENT "GC=0.0" IS OBSOLETE (TAKING NO ACTION ON THIS STATEMENT) [0m [1;34m[WARNING #4] REQUIRES AT LEAST 30 NONLINEAR ITERATIONS (RESET NONIT = 30 ITERATIONS) [0m [1;34m[WARNING #5] NO RADIUS RECORD FOUND FOR " C1 IHP A 210" [0m [1;34m[WARNING #6] RADIUS OF HEAVEY ATOM IN " C1 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #7] NO CHARGE RECORD FOUND FOR " C1 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #8] NO RADIUS RECORD FOUND FOR " C2 IHP A 210" [0m [1;34m[WARNING #9] RADIUS OF HEAVEY ATOM IN " C2 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #10] NO CHARGE RECORD FOUND FOR " C2 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #11] NO RADIUS RECORD FOUND FOR " C3 IHP A 210" [0m [1;34m[WARNING #12] RADIUS OF HEAVEY ATOM IN " C3 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #13] NO CHARGE RECORD FOUND FOR " C3 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #14] NO RADIUS RECORD FOUND FOR " C4 IHP A 210" [0m [1;34m[WARNING #15] RADIUS OF HEAVEY ATOM IN " C4 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #16] NO CHARGE RECORD FOUND FOR " C4 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #17] NO RADIUS RECORD FOUND FOR " C5 IHP A 210" [0m [1;34m[WARNING #18] RADIUS OF HEAVEY ATOM IN " C5 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #19] NO CHARGE RECORD FOUND FOR " C5 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #20] NO RADIUS RECORD FOUND FOR " C6 IHP A 210" [0m [1;34m[WARNING #21] RADIUS OF HEAVEY ATOM IN " C6 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #22] NO CHARGE RECORD FOUND FOR " C6 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #23] NO RADIUS RECORD FOUND FOR " O11 IHP A 210" [0m [1;34m[WARNING #24] RADIUS OF HEAVEY ATOM IN " O11 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #25] NO CHARGE RECORD FOUND FOR " O11 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #26] NO RADIUS RECORD FOUND FOR " P1 IHP A 210" [0m [1;34m[WARNING #27] RADIUS OF HEAVEY ATOM IN " P1 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #28] NO CHARGE RECORD FOUND FOR " P1 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #29] NO RADIUS RECORD FOUND FOR " O21 IHP A 210" [0m [1;34m[WARNING #30] RADIUS OF HEAVEY ATOM IN " O21 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #31] NO CHARGE RECORD FOUND FOR " O21 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #32] NO RADIUS RECORD FOUND FOR " O31 IHP A 210" [0m [1;34m[WARNING #33] RADIUS OF HEAVEY ATOM IN " O31 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #34] NO CHARGE RECORD FOUND FOR " O31 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #35] NO RADIUS RECORD FOUND FOR " O41 IHP A 210" [0m [1;34m[WARNING #36] RADIUS OF HEAVEY ATOM IN " O41 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #37] NO CHARGE RECORD FOUND FOR " O41 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #38] NO RADIUS RECORD FOUND FOR " O12 IHP A 210" [0m [1;34m[WARNING #39] RADIUS OF HEAVEY ATOM IN " O12 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #40] NO CHARGE RECORD FOUND FOR " O12 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #41] NO RADIUS RECORD FOUND FOR " P2 IHP A 210" [0m [1;34m[WARNING #42] RADIUS OF HEAVEY ATOM IN " P2 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #43] NO CHARGE RECORD FOUND FOR " P2 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #44] NO RADIUS RECORD FOUND FOR " O22 IHP A 210" [0m [1;34m[WARNING #45] RADIUS OF HEAVEY ATOM IN " O22 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #46] NO CHARGE RECORD FOUND FOR " O22 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #47] NO RADIUS RECORD FOUND FOR " O32 IHP A 210" [0m [1;34m[WARNING #48] RADIUS OF HEAVEY ATOM IN " O32 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #49] NO CHARGE RECORD FOUND FOR " O32 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #50] NO RADIUS RECORD FOUND FOR " O42 IHP A 210" [0m [1;34m[WARNING #51] RADIUS OF HEAVEY ATOM IN " O42 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #52] NO CHARGE RECORD FOUND FOR " O42 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #53] NO RADIUS RECORD FOUND FOR " O13 IHP A 210" [0m [1;34m[WARNING #54] RADIUS OF HEAVEY ATOM IN " O13 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #55] NO CHARGE RECORD FOUND FOR " O13 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #56] NO RADIUS RECORD FOUND FOR " P3 IHP A 210" [0m [1;34m[WARNING #57] RADIUS OF HEAVEY ATOM IN " P3 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #58] NO CHARGE RECORD FOUND FOR " P3 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #59] NO RADIUS RECORD FOUND FOR " O23 IHP A 210" [0m [1;34m[WARNING #60] RADIUS OF HEAVEY ATOM IN " O23 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #61] NO CHARGE RECORD FOUND FOR " O23 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #62] NO RADIUS RECORD FOUND FOR " O33 IHP A 210" [0m [1;34m[WARNING #63] RADIUS OF HEAVEY ATOM IN " O33 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #64] NO CHARGE RECORD FOUND FOR " O33 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #65] NO RADIUS RECORD FOUND FOR " O43 IHP A 210" [0m [1;34m[WARNING #66] RADIUS OF HEAVEY ATOM IN " O43 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #67] NO CHARGE RECORD FOUND FOR " O43 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #68] NO RADIUS RECORD FOUND FOR " O14 IHP A 210" [0m [1;34m[WARNING #69] RADIUS OF HEAVEY ATOM IN " O14 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #70] NO CHARGE RECORD FOUND FOR " O14 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #71] NO RADIUS RECORD FOUND FOR " P4 IHP A 210" [0m [1;34m[WARNING #72] RADIUS OF HEAVEY ATOM IN " P4 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #73] NO CHARGE RECORD FOUND FOR " P4 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #74] NO RADIUS RECORD FOUND FOR " O24 IHP A 210" [0m [1;34m[WARNING #75] RADIUS OF HEAVEY ATOM IN " O24 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #76] NO CHARGE RECORD FOUND FOR " O24 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #77] NO RADIUS RECORD FOUND FOR " O34 IHP A 210" [0m [1;34m[WARNING #78] RADIUS OF HEAVEY ATOM IN " O34 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #79] NO CHARGE RECORD FOUND FOR " O34 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #80] NO RADIUS RECORD FOUND FOR " O44 IHP A 210" [0m [1;34m[WARNING #81] RADIUS OF HEAVEY ATOM IN " O44 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #82] NO CHARGE RECORD FOUND FOR " O44 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #83] NO RADIUS RECORD FOUND FOR " O15 IHP A 210" [0m [1;34m[WARNING #84] RADIUS OF HEAVEY ATOM IN " O15 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #85] NO CHARGE RECORD FOUND FOR " O15 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #86] NO RADIUS RECORD FOUND FOR " P5 IHP A 210" [0m [1;34m[WARNING #87] RADIUS OF HEAVEY ATOM IN " P5 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #88] NO CHARGE RECORD FOUND FOR " P5 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #89] NO RADIUS RECORD FOUND FOR " O25 IHP A 210" [0m [1;34m[WARNING #90] RADIUS OF HEAVEY ATOM IN " O25 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #91] NO CHARGE RECORD FOUND FOR " O25 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #92] NO RADIUS RECORD FOUND FOR " O35 IHP A 210" [0m [1;34m[WARNING #93] RADIUS OF HEAVEY ATOM IN " O35 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #94] NO CHARGE RECORD FOUND FOR " O35 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #95] NO RADIUS RECORD FOUND FOR " O45 IHP A 210" [0m [1;34m[WARNING #96] RADIUS OF HEAVEY ATOM IN " O45 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #97] NO CHARGE RECORD FOUND FOR " O45 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #98] NO RADIUS RECORD FOUND FOR " O16 IHP A 210" [0m [1;34m[WARNING #99] RADIUS OF HEAVEY ATOM IN " O16 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #100] NO CHARGE RECORD FOUND FOR " O16 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #101] NO RADIUS RECORD FOUND FOR " P6 IHP A 210" [0m [1;34m[WARNING #102] RADIUS OF HEAVEY ATOM IN " P6 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #103] NO CHARGE RECORD FOUND FOR " P6 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #104] NO RADIUS RECORD FOUND FOR " O26 IHP A 210" [0m [1;34m[WARNING #105] RADIUS OF HEAVEY ATOM IN " O26 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #106] NO CHARGE RECORD FOUND FOR " O26 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #107] NO RADIUS RECORD FOUND FOR " O36 IHP A 210" [0m [1;34m[WARNING #108] RADIUS OF HEAVEY ATOM IN " O36 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #109] NO CHARGE RECORD FOUND FOR " O36 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #110] NO RADIUS RECORD FOUND FOR " O46 IHP A 210" [0m [1;34m[WARNING #111] RADIUS OF HEAVEY ATOM IN " O46 IHP A 210" IS SET TO ZERO [0m [1;34m[WARNING #112] NO CHARGE RECORD FOUND FOR " O46 IHP A 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #113] NO RADIUS RECORD FOUND FOR " NA NA A 211" [0m [1;34m[WARNING #114] RADIUS OF HEAVEY ATOM IN " NA NA A 211" IS SET TO ZERO [0m [1;34m[WARNING #115] NO CHARGE RECORD FOUND FOR " NA NA A 211" (CHARGE IS SET = 0) [0m [1;34m[WARNING #116] NO RADIUS RECORD FOUND FOR " C1 IHP B 210" [0m [1;34m[WARNING #117] RADIUS OF HEAVEY ATOM IN " C1 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #118] NO CHARGE RECORD FOUND FOR " C1 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #119] NO RADIUS RECORD FOUND FOR " C2 IHP B 210" [0m [1;34m[WARNING #120] RADIUS OF HEAVEY ATOM IN " C2 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #121] NO CHARGE RECORD FOUND FOR " C2 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #122] NO RADIUS RECORD FOUND FOR " C3 IHP B 210" [0m [1;34m[WARNING #123] RADIUS OF HEAVEY ATOM IN " C3 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #124] NO CHARGE RECORD FOUND FOR " C3 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #125] NO RADIUS RECORD FOUND FOR " C4 IHP B 210" [0m [1;34m[WARNING #126] RADIUS OF HEAVEY ATOM IN " C4 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #127] NO CHARGE RECORD FOUND FOR " C4 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #128] NO RADIUS RECORD FOUND FOR " C5 IHP B 210" [0m [1;34m[WARNING #129] RADIUS OF HEAVEY ATOM IN " C5 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #130] NO CHARGE RECORD FOUND FOR " C5 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #131] NO RADIUS RECORD FOUND FOR " C6 IHP B 210" [0m [1;34m[WARNING #132] RADIUS OF HEAVEY ATOM IN " C6 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #133] NO CHARGE RECORD FOUND FOR " C6 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #134] NO RADIUS RECORD FOUND FOR " O11 IHP B 210" [0m [1;34m[WARNING #135] RADIUS OF HEAVEY ATOM IN " O11 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #136] NO CHARGE RECORD FOUND FOR " O11 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #137] NO RADIUS RECORD FOUND FOR " P1 IHP B 210" [0m [1;34m[WARNING #138] RADIUS OF HEAVEY ATOM IN " P1 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #139] NO CHARGE RECORD FOUND FOR " P1 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #140] NO RADIUS RECORD FOUND FOR " O21 IHP B 210" [0m [1;34m[WARNING #141] RADIUS OF HEAVEY ATOM IN " O21 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #142] NO CHARGE RECORD FOUND FOR " O21 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #143] NO RADIUS RECORD FOUND FOR " O31 IHP B 210" [0m [1;34m[WARNING #144] RADIUS OF HEAVEY ATOM IN " O31 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #145] NO CHARGE RECORD FOUND FOR " O31 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #146] NO RADIUS RECORD FOUND FOR " O41 IHP B 210" [0m [1;34m[WARNING #147] RADIUS OF HEAVEY ATOM IN " O41 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #148] NO CHARGE RECORD FOUND FOR " O41 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #149] NO RADIUS RECORD FOUND FOR " O12 IHP B 210" [0m [1;34m[WARNING #150] RADIUS OF HEAVEY ATOM IN " O12 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #151] NO CHARGE RECORD FOUND FOR " O12 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #152] NO RADIUS RECORD FOUND FOR " P2 IHP B 210" [0m [1;34m[WARNING #153] RADIUS OF HEAVEY ATOM IN " P2 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #154] NO CHARGE RECORD FOUND FOR " P2 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #155] NO RADIUS RECORD FOUND FOR " O22 IHP B 210" [0m [1;34m[WARNING #156] RADIUS OF HEAVEY ATOM IN " O22 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #157] NO CHARGE RECORD FOUND FOR " O22 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #158] NO RADIUS RECORD FOUND FOR " O32 IHP B 210" [0m [1;34m[WARNING #159] RADIUS OF HEAVEY ATOM IN " O32 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #160] NO CHARGE RECORD FOUND FOR " O32 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #161] NO RADIUS RECORD FOUND FOR " O42 IHP B 210" [0m [1;34m[WARNING #162] RADIUS OF HEAVEY ATOM IN " O42 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #163] NO CHARGE RECORD FOUND FOR " O42 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #164] NO RADIUS RECORD FOUND FOR " O13 IHP B 210" [0m [1;34m[WARNING #165] RADIUS OF HEAVEY ATOM IN " O13 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #166] NO CHARGE RECORD FOUND FOR " O13 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #167] NO RADIUS RECORD FOUND FOR " P3 IHP B 210" [0m [1;34m[WARNING #168] RADIUS OF HEAVEY ATOM IN " P3 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #169] NO CHARGE RECORD FOUND FOR " P3 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #170] NO RADIUS RECORD FOUND FOR " O23 IHP B 210" [0m [1;34m[WARNING #171] RADIUS OF HEAVEY ATOM IN " O23 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #172] NO CHARGE RECORD FOUND FOR " O23 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #173] NO RADIUS RECORD FOUND FOR " O33 IHP B 210" [0m [1;34m[WARNING #174] RADIUS OF HEAVEY ATOM IN " O33 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #175] NO CHARGE RECORD FOUND FOR " O33 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #176] NO RADIUS RECORD FOUND FOR " O43 IHP B 210" [0m [1;34m[WARNING #177] RADIUS OF HEAVEY ATOM IN " O43 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #178] NO CHARGE RECORD FOUND FOR " O43 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #179] NO RADIUS RECORD FOUND FOR " O14 IHP B 210" [0m [1;34m[WARNING #180] RADIUS OF HEAVEY ATOM IN " O14 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #181] NO CHARGE RECORD FOUND FOR " O14 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #182] NO RADIUS RECORD FOUND FOR " P4 IHP B 210" [0m [1;34m[WARNING #183] RADIUS OF HEAVEY ATOM IN " P4 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #184] NO CHARGE RECORD FOUND FOR " P4 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #185] NO RADIUS RECORD FOUND FOR " O24 IHP B 210" [0m [1;34m[WARNING #186] RADIUS OF HEAVEY ATOM IN " O24 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #187] NO CHARGE RECORD FOUND FOR " O24 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #188] NO RADIUS RECORD FOUND FOR " O34 IHP B 210" [0m [1;34m[WARNING #189] RADIUS OF HEAVEY ATOM IN " O34 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #190] NO CHARGE RECORD FOUND FOR " O34 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #191] NO RADIUS RECORD FOUND FOR " O44 IHP B 210" [0m [1;34m[WARNING #192] RADIUS OF HEAVEY ATOM IN " O44 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #193] NO CHARGE RECORD FOUND FOR " O44 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #194] NO RADIUS RECORD FOUND FOR " O15 IHP B 210" [0m [1;34m[WARNING #195] RADIUS OF HEAVEY ATOM IN " O15 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #196] NO CHARGE RECORD FOUND FOR " O15 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #197] NO RADIUS RECORD FOUND FOR " P5 IHP B 210" [0m [1;34m[WARNING #198] RADIUS OF HEAVEY ATOM IN " P5 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #199] NO CHARGE RECORD FOUND FOR " P5 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #200] NO RADIUS RECORD FOUND FOR " O25 IHP B 210" [0m [1;34m[WARNING #201] RADIUS OF HEAVEY ATOM IN " O25 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #202] NO CHARGE RECORD FOUND FOR " O25 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #203] NO RADIUS RECORD FOUND FOR " O35 IHP B 210" [0m [1;34m[WARNING #204] RADIUS OF HEAVEY ATOM IN " O35 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #205] NO CHARGE RECORD FOUND FOR " O35 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #206] NO RADIUS RECORD FOUND FOR " O45 IHP B 210" [0m [1;34m[WARNING #207] RADIUS OF HEAVEY ATOM IN " O45 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #208] NO CHARGE RECORD FOUND FOR " O45 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #209] NO RADIUS RECORD FOUND FOR " O16 IHP B 210" [0m [1;34m[WARNING #210] RADIUS OF HEAVEY ATOM IN " O16 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #211] NO CHARGE RECORD FOUND FOR " O16 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #212] NO RADIUS RECORD FOUND FOR " P6 IHP B 210" [0m [1;34m[WARNING #213] RADIUS OF HEAVEY ATOM IN " P6 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #214] NO CHARGE RECORD FOUND FOR " P6 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #215] NO RADIUS RECORD FOUND FOR " O26 IHP B 210" [0m [1;34m[WARNING #216] RADIUS OF HEAVEY ATOM IN " O26 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #217] NO CHARGE RECORD FOUND FOR " O26 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #218] NO RADIUS RECORD FOUND FOR " O36 IHP B 210" [0m [1;34m[WARNING #219] RADIUS OF HEAVEY ATOM IN " O36 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #220] NO CHARGE RECORD FOUND FOR " O36 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #221] NO RADIUS RECORD FOUND FOR " O46 IHP B 210" [0m [1;34m[WARNING #222] RADIUS OF HEAVEY ATOM IN " O46 IHP B 210" IS SET TO ZERO [0m [1;34m[WARNING #223] NO CHARGE RECORD FOUND FOR " O46 IHP B 210" (CHARGE IS SET = 0) [0m [1;34m[WARNING #224] NO RADIUS RECORD FOUND FOR " NA NA B 211" [0m [1;34m[WARNING #225] RADIUS OF HEAVEY ATOM IN " NA NA B 211" IS SET TO ZERO [0m [1;34m[WARNING #226] NO CHARGE RECORD FOUND FOR " NA NA B 211" (CHARGE IS SET = 0) [0m [1;34m[WARNING #227] NO RADIUS RECORD FOUND FOR " O HOH A 212" [0m [1;34m[WARNING #228] RADIUS OF HEAVEY ATOM IN " O HOH A 212" IS SET TO ZERO [0m [1;34m[WARNING #229] NO CHARGE RECORD FOUND FOR " O HOH A 212" (CHARGE IS SET = 0) [0m [1;34m[WARNING #230] NO RADIUS RECORD FOUND FOR " O HOH A 213" [0m [1;34m[WARNING #231] RADIUS OF HEAVEY ATOM IN " O HOH A 213" IS SET TO ZERO [0m [1;34m[WARNING #232] NO CHARGE RECORD FOUND FOR " O HOH A 213" (CHARGE IS SET = 0) [0m [1;34m[WARNING #233] NO RADIUS RECORD FOUND FOR " O HOH A 214" [0m [1;34m[WARNING #234] RADIUS OF HEAVEY ATOM IN " O HOH A 214" IS SET TO ZERO [0m [1;34m[WARNING #235] NO CHARGE RECORD FOUND FOR " O HOH A 214" (CHARGE IS SET = 0) [0m [1;34m[WARNING #236] NO RADIUS RECORD FOUND FOR " O HOH A 215" [0m [1;34m[WARNING #237] RADIUS OF HEAVEY ATOM IN " O HOH A 215" IS SET TO ZERO [0m [1;34m[WARNING #238] NO CHARGE RECORD FOUND FOR " O HOH A 215" (CHARGE IS SET = 0) [0m [1;34m[WARNING #239] NO RADIUS RECORD FOUND FOR " O HOH A 216" [0m [1;34m[WARNING #240] RADIUS OF HEAVEY ATOM IN " O HOH A 216" IS SET TO ZERO [0m [1;34m[WARNING #241] NO CHARGE RECORD FOUND FOR " O HOH A 216" (CHARGE IS SET = 0) [0m [1;34m[WARNING #242] NO RADIUS RECORD FOUND FOR " O HOH A 217" [0m [1;34m[WARNING #243] RADIUS OF HEAVEY ATOM IN " O HOH A 217" IS SET TO ZERO [0m [1;34m[WARNING #244] NO CHARGE RECORD FOUND FOR " O HOH A 217" (CHARGE IS SET = 0) [0m [1;34m[WARNING #245] NO RADIUS RECORD FOUND FOR " O HOH A 218" [0m [1;34m[WARNING #246] RADIUS OF HEAVEY ATOM IN " O HOH A 218" IS SET TO ZERO [0m [1;34m[WARNING #247] NO CHARGE RECORD FOUND FOR " O HOH A 218" (CHARGE IS SET = 0) [0m [1;34m[WARNING #248] NO RADIUS RECORD FOUND FOR " O HOH A 219" [0m [1;34m[WARNING #249] RADIUS OF HEAVEY ATOM IN " O HOH A 219" IS SET TO ZERO [0m [1;34m[WARNING #250] NO CHARGE RECORD FOUND FOR " O HOH A 219" (CHARGE IS SET = 0) [0m [1;34m[WARNING #251] NO RADIUS RECORD FOUND FOR " O HOH A 220" [0m [1;34m[WARNING #252] RADIUS OF HEAVEY ATOM IN " O HOH A 220" IS SET TO ZERO [0m [1;34m[WARNING #253] NO CHARGE RECORD FOUND FOR " O HOH A 220" (CHARGE IS SET = 0) [0m [1;34m[WARNING #254] NO RADIUS RECORD FOUND FOR " O HOH A 221" [0m [1;34m[WARNING #255] RADIUS OF HEAVEY ATOM IN " O HOH A 221" IS SET TO ZERO [0m [1;34m[WARNING #256] NO CHARGE RECORD FOUND FOR " O HOH A 221" (CHARGE IS SET = 0) [0m [1;34m[WARNING #257] NO RADIUS RECORD FOUND FOR " O HOH A 222" [0m [1;34m[WARNING #258] RADIUS OF HEAVEY ATOM IN " O HOH A 222" IS SET TO ZERO [0m [1;34m[WARNING #259] NO CHARGE RECORD FOUND FOR " O HOH A 222" (CHARGE IS SET = 0) [0m [1;34m[WARNING #260] NO RADIUS RECORD FOUND FOR " O HOH A 223" [0m [1;34m[WARNING #261] RADIUS OF HEAVEY ATOM IN " O HOH A 223" IS SET TO ZERO [0m [1;34m[WARNING #262] NO CHARGE RECORD FOUND FOR " O HOH A 223" (CHARGE IS SET = 0) [0m [1;34m[WARNING #263] NO RADIUS RECORD FOUND FOR " O HOH A 224" [0m [1;34m[WARNING #264] RADIUS OF HEAVEY ATOM IN " O HOH A 224" IS SET TO ZERO [0m [1;34m[WARNING #265] NO CHARGE RECORD FOUND FOR " O HOH A 224" (CHARGE IS SET = 0) [0m [1;34m[WARNING #266] NO RADIUS RECORD FOUND FOR " O HOH A 225" [0m [1;34m[WARNING #267] RADIUS OF HEAVEY ATOM IN " O HOH A 225" IS SET TO ZERO [0m [1;34m[WARNING #268] NO CHARGE RECORD FOUND FOR " O HOH A 225" (CHARGE IS SET = 0) [0m [1;34m[WARNING #269] NO RADIUS RECORD FOUND FOR " O HOH A 226" [0m [1;34m[WARNING #270] RADIUS OF HEAVEY ATOM IN " O HOH A 226" IS SET TO ZERO [0m [1;34m[WARNING #271] NO CHARGE RECORD FOUND FOR " O HOH A 226" (CHARGE IS SET = 0) [0m [1;34m[WARNING #272] NO RADIUS RECORD FOUND FOR " O HOH A 227" [0m [1;34m[WARNING #273] RADIUS OF HEAVEY ATOM IN " O HOH A 227" IS SET TO ZERO [0m [1;34m[WARNING #274] NO CHARGE RECORD FOUND FOR " O HOH A 227" (CHARGE IS SET = 0) [0m [1;34m[WARNING #275] NO RADIUS RECORD FOUND FOR " O HOH A 228" [0m [1;34m[WARNING #276] RADIUS OF HEAVEY ATOM IN " O HOH A 228" IS SET TO ZERO [0m [1;34m[WARNING #277] NO CHARGE RECORD FOUND FOR " O HOH A 228" (CHARGE IS SET = 0) [0m [1;34m[WARNING #278] NO RADIUS RECORD FOUND FOR " O HOH A 229" [0m [1;34m[WARNING #279] RADIUS OF HEAVEY ATOM IN " O HOH A 229" IS SET TO ZERO [0m [1;34m[WARNING #280] NO CHARGE RECORD FOUND FOR " O HOH A 229" (CHARGE IS SET = 0) [0m [1;34m[WARNING #281] NO RADIUS RECORD FOUND FOR " O HOH A 230" [0m [1;34m[WARNING #282] RADIUS OF HEAVEY ATOM IN " O HOH A 230" IS SET TO ZERO [0m [1;34m[WARNING #283] NO CHARGE RECORD FOUND FOR " O HOH A 230" (CHARGE IS SET = 0) [0m [1;34m[WARNING #284] NO RADIUS RECORD FOUND FOR " O HOH A 231" [0m [1;34m[WARNING #285] RADIUS OF HEAVEY ATOM IN " O HOH A 231" IS SET TO ZERO [0m [1;34m[WARNING #286] NO CHARGE RECORD FOUND FOR " O HOH A 231" (CHARGE IS SET = 0) [0m [1;34m[WARNING #287] NO RADIUS RECORD FOUND FOR " O HOH A 232" [0m [1;34m[WARNING #288] RADIUS OF HEAVEY ATOM IN " O HOH A 232" IS SET TO ZERO [0m [1;34m[WARNING #289] NO CHARGE RECORD FOUND FOR " O HOH A 232" (CHARGE IS SET = 0) [0m [1;34m[WARNING #290] NO RADIUS RECORD FOUND FOR " O HOH A 233" [0m [1;34m[WARNING #291] RADIUS OF HEAVEY ATOM IN " O HOH A 233" IS SET TO ZERO [0m [1;34m[WARNING #292] NO CHARGE RECORD FOUND FOR " O HOH A 233" (CHARGE IS SET = 0) [0m [1;34m[WARNING #293] NO RADIUS RECORD FOUND FOR " O HOH A 234" [0m [1;34m[WARNING #294] RADIUS OF HEAVEY ATOM IN " O HOH A 234" IS SET TO ZERO [0m [1;34m[WARNING #295] NO CHARGE RECORD FOUND FOR " O HOH A 234" (CHARGE IS SET = 0) [0m [1;34m[WARNING #296] NO RADIUS RECORD FOUND FOR " O HOH A 235" [0m [1;34m[WARNING #297] RADIUS OF HEAVEY ATOM IN " O HOH A 235" IS SET TO ZERO [0m [1;34m[WARNING #298] NO CHARGE RECORD FOUND FOR " O HOH A 235" (CHARGE IS SET = 0) [0m [1;34m[WARNING #299] NO RADIUS RECORD FOUND FOR " O HOH A 236" [0m [1;34m[WARNING #300] RADIUS OF HEAVEY ATOM IN " O HOH A 236" IS SET TO ZERO [0m [1;34m[WARNING #301] NO CHARGE RECORD FOUND FOR " O HOH A 236" (CHARGE IS SET = 0) [0m [1;34m[WARNING #302] NO RADIUS RECORD FOUND FOR " O HOH A 237" [0m [1;34m[WARNING #303] RADIUS OF HEAVEY ATOM IN " O HOH A 237" IS SET TO ZERO [0m [1;34m[WARNING #304] NO CHARGE RECORD FOUND FOR " O HOH A 237" (CHARGE IS SET = 0) [0m [1;34m[WARNING #305] NO RADIUS RECORD FOUND FOR " O HOH A 238" [0m [1;34m[WARNING #306] RADIUS OF HEAVEY ATOM IN " O HOH A 238" IS SET TO ZERO [0m [1;34m[WARNING #307] NO CHARGE RECORD FOUND FOR " O HOH A 238" (CHARGE IS SET = 0) [0m [1;34m[WARNING #308] NO RADIUS RECORD FOUND FOR " O HOH A 239" [0m [1;34m[WARNING #309] RADIUS OF HEAVEY ATOM IN " O HOH A 239" IS SET TO ZERO [0m [1;34m[WARNING #310] NO CHARGE RECORD FOUND FOR " O HOH A 239" (CHARGE IS SET = 0) [0m [1;34m[WARNING #311] NO RADIUS RECORD FOUND FOR " O HOH A 240" [0m [1;34m[WARNING #312] RADIUS OF HEAVEY ATOM IN " O HOH A 240" IS SET TO ZERO [0m [1;34m[WARNING #313] NO CHARGE RECORD FOUND FOR " O HOH A 240" (CHARGE IS SET = 0) [0m [1;34m[WARNING #314] NO RADIUS RECORD FOUND FOR " O HOH A 241" [0m [1;34m[WARNING #315] RADIUS OF HEAVEY ATOM IN " O HOH A 241" IS SET TO ZERO [0m [1;34m[WARNING #316] NO CHARGE RECORD FOUND FOR " O HOH A 241" (CHARGE IS SET = 0) [0m [1;34m[WARNING #317] NO RADIUS RECORD FOUND FOR " O HOH A 242" [0m [1;34m[WARNING #318] RADIUS OF HEAVEY ATOM IN " O HOH A 242" IS SET TO ZERO [0m [1;34m[WARNING #319] NO CHARGE RECORD FOUND FOR " O HOH A 242" (CHARGE IS SET = 0) [0m [1;34m[WARNING #320] NO RADIUS RECORD FOUND FOR " O HOH A 243" [0m [1;34m[WARNING #321] RADIUS OF HEAVEY ATOM IN " O HOH A 243" IS SET TO ZERO [0m [1;34m[WARNING #322] NO CHARGE RECORD FOUND FOR " O HOH A 243" (CHARGE IS SET = 0) [0m [1;34m[WARNING #323] NO RADIUS RECORD FOUND FOR " O HOH A 244" [0m [1;34m[WARNING #324] RADIUS OF HEAVEY ATOM IN " O HOH A 244" IS SET TO ZERO [0m [1;34m[WARNING #325] NO CHARGE RECORD FOUND FOR " O HOH A 244" (CHARGE IS SET = 0) [0m [1;34m[WARNING #326] NO RADIUS RECORD FOUND FOR " O HOH A 245" [0m [1;34m[WARNING #327] RADIUS OF HEAVEY ATOM IN " O HOH A 245" IS SET TO ZERO [0m [1;34m[WARNING #328] NO CHARGE RECORD FOUND FOR " O HOH A 245" (CHARGE IS SET = 0) [0m [1;34m[WARNING #329] NO RADIUS RECORD FOUND FOR " O HOH A 246" [0m [1;34m[WARNING #330] RADIUS OF HEAVEY ATOM IN " O HOH A 246" IS SET TO ZERO [0m [1;34m[WARNING #331] NO CHARGE RECORD FOUND FOR " O HOH A 246" (CHARGE IS SET = 0) [0m [1;34m[WARNING #332] NO RADIUS RECORD FOUND FOR " O HOH A 247" [0m [1;34m[WARNING #333] RADIUS OF HEAVEY ATOM IN " O HOH A 247" IS SET TO ZERO [0m [1;34m[WARNING #334] NO CHARGE RECORD FOUND FOR " O HOH A 247" (CHARGE IS SET = 0) [0m [1;34m[WARNING #335] NO RADIUS RECORD FOUND FOR " O HOH A 248" [0m [1;34m[WARNING #336] RADIUS OF HEAVEY ATOM IN " O HOH A 248" IS SET TO ZERO [0m [1;34m[WARNING #337] NO CHARGE RECORD FOUND FOR " O HOH A 248" (CHARGE IS SET = 0) [0m [1;34m[WARNING #338] NO RADIUS RECORD FOUND FOR " O HOH A 249" [0m [1;34m[WARNING #339] RADIUS OF HEAVEY ATOM IN " O HOH A 249" IS SET TO ZERO [0m [1;34m[WARNING #340] NO CHARGE RECORD FOUND FOR " O HOH A 249" (CHARGE IS SET = 0) [0m [1;34m[WARNING #341] NO RADIUS RECORD FOUND FOR " O HOH A 250" [0m [1;34m[WARNING #342] RADIUS OF HEAVEY ATOM IN " O HOH A 250" IS SET TO ZERO [0m [1;34m[WARNING #343] NO CHARGE RECORD FOUND FOR " O HOH A 250" (CHARGE IS SET = 0) [0m [1;34m[WARNING #344] NO RADIUS RECORD FOUND FOR " O HOH A 251" [0m [1;34m[WARNING #345] RADIUS OF HEAVEY ATOM IN " O HOH A 251" IS SET TO ZERO [0m [1;34m[WARNING #346] NO CHARGE RECORD FOUND FOR " O HOH A 251" (CHARGE IS SET = 0) [0m [1;34m[WARNING #347] NO RADIUS RECORD FOUND FOR " O HOH A 252" [0m [1;34m[WARNING #348] RADIUS OF HEAVEY ATOM IN " O HOH A 252" IS SET TO ZERO [0m [1;34m[WARNING #349] NO CHARGE RECORD FOUND FOR " O HOH A 252" (CHARGE IS SET = 0) [0m [1;34m[WARNING #350] NO RADIUS RECORD FOUND FOR " O HOH A 253" [0m [1;34m[WARNING #351] RADIUS OF HEAVEY ATOM IN " O HOH A 253" IS SET TO ZERO [0m [1;34m[WARNING #352] NO CHARGE RECORD FOUND FOR " O HOH A 253" (CHARGE IS SET = 0) [0m [1;34m[WARNING #353] NO RADIUS RECORD FOUND FOR " O HOH A 254" [0m [1;34m[WARNING #354] RADIUS OF HEAVEY ATOM IN " O HOH A 254" IS SET TO ZERO [0m [1;34m[WARNING #355] NO CHARGE RECORD FOUND FOR " O HOH A 254" (CHARGE IS SET = 0) [0m [1;34m[WARNING #356] NO RADIUS RECORD FOUND FOR " O HOH A 255" [0m [1;34m[WARNING #357] RADIUS OF HEAVEY ATOM IN " O HOH A 255" IS SET TO ZERO [0m [1;34m[WARNING #358] NO CHARGE RECORD FOUND FOR " O HOH A 255" (CHARGE IS SET = 0) [0m [1;34m[WARNING #359] NO RADIUS RECORD FOUND FOR " O HOH A 256" [0m [1;34m[WARNING #360] RADIUS OF HEAVEY ATOM IN " O HOH A 256" IS SET TO ZERO [0m [1;34m[WARNING #361] NO CHARGE RECORD FOUND FOR " O HOH A 256" (CHARGE IS SET = 0) [0m [1;34m[WARNING #362] NO RADIUS RECORD FOUND FOR " O HOH A 257" [0m [1;34m[WARNING #363] RADIUS OF HEAVEY ATOM IN " O HOH A 257" IS SET TO ZERO [0m [1;34m[WARNING #364] NO CHARGE RECORD FOUND FOR " O HOH A 257" (CHARGE IS SET = 0) [0m [1;34m[WARNING #365] NO RADIUS RECORD FOUND FOR " O HOH A 258" [0m [1;34m[WARNING #366] RADIUS OF HEAVEY ATOM IN " O HOH A 258" IS SET TO ZERO [0m [1;34m[WARNING #367] NO CHARGE RECORD FOUND FOR " O HOH A 258" (CHARGE IS SET = 0) [0m [1;34m[WARNING #368] NO RADIUS RECORD FOUND FOR " O HOH A 259" [0m [1;34m[WARNING #369] RADIUS OF HEAVEY ATOM IN " O HOH A 259" IS SET TO ZERO [0m [1;34m[WARNING #370] NO CHARGE RECORD FOUND FOR " O HOH A 259" (CHARGE IS SET = 0) [0m [1;34m[WARNING #371] NO RADIUS RECORD FOUND FOR " O HOH A 260" [0m [1;34m[WARNING #372] RADIUS OF HEAVEY ATOM IN " O HOH A 260" IS SET TO ZERO [0m [1;34m[WARNING #373] NO CHARGE RECORD FOUND FOR " O HOH A 260" (CHARGE IS SET = 0) [0m [1;34m[WARNING #374] NO RADIUS RECORD FOUND FOR " O HOH A 261" [0m [1;34m[WARNING #375] RADIUS OF HEAVEY ATOM IN " O HOH A 261" IS SET TO ZERO [0m [1;34m[WARNING #376] NO CHARGE RECORD FOUND FOR " O HOH A 261" (CHARGE IS SET = 0) [0m [1;34m[WARNING #377] NO RADIUS RECORD FOUND FOR " O HOH A 262" [0m [1;34m[WARNING #378] RADIUS OF HEAVEY ATOM IN " O HOH A 262" IS SET TO ZERO [0m [1;34m[WARNING #379] NO CHARGE RECORD FOUND FOR " O HOH A 262" (CHARGE IS SET = 0) [0m [1;34m[WARNING #380] NO RADIUS RECORD FOUND FOR " O HOH A 263" [0m [1;34m[WARNING #381] RADIUS OF HEAVEY ATOM IN " O HOH A 263" IS SET TO ZERO [0m [1;34m[WARNING #382] NO CHARGE RECORD FOUND FOR " O HOH A 263" (CHARGE IS SET = 0) [0m [1;34m[WARNING #383] NO RADIUS RECORD FOUND FOR " O HOH A 264" [0m [1;34m[WARNING #384] RADIUS OF HEAVEY ATOM IN " O HOH A 264" IS SET TO ZERO [0m [1;34m[WARNING #385] NO CHARGE RECORD FOUND FOR " O HOH A 264" (CHARGE IS SET = 0) [0m [1;34m[WARNING #386] NO RADIUS RECORD FOUND FOR " O HOH A 265" [0m [1;34m[WARNING #387] RADIUS OF HEAVEY ATOM IN " O HOH A 265" IS SET TO ZERO [0m [1;34m[WARNING #388] NO CHARGE RECORD FOUND FOR " O HOH A 265" (CHARGE IS SET = 0) [0m [1;34m[WARNING #389] NO RADIUS RECORD FOUND FOR " O HOH A 266" [0m [1;34m[WARNING #390] RADIUS OF HEAVEY ATOM IN " O HOH A 266" IS SET TO ZERO [0m [1;34m[WARNING #391] NO CHARGE RECORD FOUND FOR " O HOH A 266" (CHARGE IS SET = 0) [0m [1;34m[WARNING #392] NO RADIUS RECORD FOUND FOR " O HOH A 267" [0m [1;34m[WARNING #393] RADIUS OF HEAVEY ATOM IN " O HOH A 267" IS SET TO ZERO [0m [1;34m[WARNING #394] NO CHARGE RECORD FOUND FOR " O HOH A 267" (CHARGE IS SET = 0) [0m [1;34m[WARNING #395] NO RADIUS RECORD FOUND FOR " O HOH A 268" [0m [1;34m[WARNING #396] RADIUS OF HEAVEY ATOM IN " O HOH A 268" IS SET TO ZERO [0m [1;34m[WARNING #397] NO CHARGE RECORD FOUND FOR " O HOH A 268" (CHARGE IS SET = 0) [0m [1;34m[WARNING #398] NO RADIUS RECORD FOUND FOR " O HOH A 269" [0m [1;34m[WARNING #399] RADIUS OF HEAVEY ATOM IN " O HOH A 269" IS SET TO ZERO [0m [1;34m[WARNING #400] NO CHARGE RECORD FOUND FOR " O HOH A 269" (CHARGE IS SET = 0) [0m [1;34m[WARNING #401] NO RADIUS RECORD FOUND FOR " O HOH A 270" [0m [1;34m[WARNING #402] RADIUS OF HEAVEY ATOM IN " O HOH A 270" IS SET TO ZERO [0m [1;34m[WARNING #403] NO CHARGE RECORD FOUND FOR " O HOH A 270" (CHARGE IS SET = 0) [0m [1;34m[WARNING #404] NO RADIUS RECORD FOUND FOR " O HOH A 271" [0m [1;34m[WARNING #405] RADIUS OF HEAVEY ATOM IN " O HOH A 271" IS SET TO ZERO [0m [1;34m[WARNING #406] NO CHARGE RECORD FOUND FOR " O HOH A 271" (CHARGE IS SET = 0) [0m [1;34m[WARNING #407] NO RADIUS RECORD FOUND FOR " O HOH A 272" [0m [1;34m[WARNING #408] RADIUS OF HEAVEY ATOM IN " O HOH A 272" IS SET TO ZERO [0m [1;34m[WARNING #409] NO CHARGE RECORD FOUND FOR " O HOH A 272" (CHARGE IS SET = 0) [0m [1;34m[WARNING #410] NO RADIUS RECORD FOUND FOR " O HOH A 273" [0m [1;34m[WARNING #411] RADIUS OF HEAVEY ATOM IN " O HOH A 273" IS SET TO ZERO [0m [1;34m[WARNING #412] NO CHARGE RECORD FOUND FOR " O HOH A 273" (CHARGE IS SET = 0) [0m [1;34m[WARNING #413] NO RADIUS RECORD FOUND FOR " O HOH A 274" [0m [1;34m[WARNING #414] RADIUS OF HEAVEY ATOM IN " O HOH A 274" IS SET TO ZERO [0m [1;34m[WARNING #415] NO CHARGE RECORD FOUND FOR " O HOH A 274" (CHARGE IS SET = 0) [0m [1;34m[WARNING #416] NO RADIUS RECORD FOUND FOR " O HOH A 275" [0m [1;34m[WARNING #417] RADIUS OF HEAVEY ATOM IN " O HOH A 275" IS SET TO ZERO [0m [1;34m[WARNING #418] NO CHARGE RECORD FOUND FOR " O HOH A 275" (CHARGE IS SET = 0) [0m [1;34m[WARNING #419] NO RADIUS RECORD FOUND FOR " O HOH A 276" [0m [1;34m[WARNING #420] RADIUS OF HEAVEY ATOM IN " O HOH A 276" IS SET TO ZERO [0m [1;34m[WARNING #421] NO CHARGE RECORD FOUND FOR " O HOH A 276" (CHARGE IS SET = 0) [0m [1;34m[WARNING #422] NO RADIUS RECORD FOUND FOR " O HOH A 277" [0m [1;34m[WARNING #423] RADIUS OF HEAVEY ATOM IN " O HOH A 277" IS SET TO ZERO [0m [1;34m[WARNING #424] NO CHARGE RECORD FOUND FOR " O HOH A 277" (CHARGE IS SET = 0) [0m [1;34m[WARNING #425] NO RADIUS RECORD FOUND FOR " O HOH A 278" [0m [1;34m[WARNING #426] RADIUS OF HEAVEY ATOM IN " O HOH A 278" IS SET TO ZERO [0m [1;34m[WARNING #427] NO CHARGE RECORD FOUND FOR " O HOH A 278" (CHARGE IS SET = 0) [0m [1;34m[WARNING #428] NO RADIUS RECORD FOUND FOR " O HOH A 279" [0m [1;34m[WARNING #429] RADIUS OF HEAVEY ATOM IN " O HOH A 279" IS SET TO ZERO [0m [1;34m[WARNING #430] NO CHARGE RECORD FOUND FOR " O HOH A 279" (CHARGE IS SET = 0) [0m [1;34m[WARNING #431] NO RADIUS RECORD FOUND FOR " O HOH A 280" [0m [1;34m[WARNING #432] RADIUS OF HEAVEY ATOM IN " O HOH A 280" IS SET TO ZERO [0m [1;34m[WARNING #433] NO CHARGE RECORD FOUND FOR " O HOH A 280" (CHARGE IS SET = 0) [0m [1;34m[WARNING #434] NO RADIUS RECORD FOUND FOR " O HOH A 281" [0m [1;34m[WARNING #435] RADIUS OF HEAVEY ATOM IN " O HOH A 281" IS SET TO ZERO [0m [1;34m[WARNING #436] NO CHARGE RECORD FOUND FOR " O HOH A 281" (CHARGE IS SET = 0) [0m [1;34m[WARNING #437] NO RADIUS RECORD FOUND FOR " O HOH A 282" [0m [1;34m[WARNING #438] RADIUS OF HEAVEY ATOM IN " O HOH A 282" IS SET TO ZERO [0m [1;34m[WARNING #439] NO CHARGE RECORD FOUND FOR " O HOH A 282" (CHARGE IS SET = 0) [0m [1;34m[WARNING #440] NO RADIUS RECORD FOUND FOR " O HOH A 283" [0m [1;34m[WARNING #441] RADIUS OF HEAVEY ATOM IN " O HOH A 283" IS SET TO ZERO [0m [1;34m[WARNING #442] NO CHARGE RECORD FOUND FOR " O HOH A 283" (CHARGE IS SET = 0) [0m [1;34m[WARNING #443] NO RADIUS RECORD FOUND FOR " O HOH A 284" [0m [1;34m[WARNING #444] RADIUS OF HEAVEY ATOM IN " O HOH A 284" IS SET TO ZERO [0m [1;34m[WARNING #445] NO CHARGE RECORD FOUND FOR " O HOH A 284" (CHARGE IS SET = 0) [0m [1;34m[WARNING #446] NO RADIUS RECORD FOUND FOR " O HOH A 285" [0m [1;34m[WARNING #447] RADIUS OF HEAVEY ATOM IN " O HOH A 285" IS SET TO ZERO [0m [1;34m[WARNING #448] NO CHARGE RECORD FOUND FOR " O HOH A 285" (CHARGE IS SET = 0) [0m [1;34m[WARNING #449] NO RADIUS RECORD FOUND FOR " O HOH A 286" [0m [1;34m[WARNING #450] RADIUS OF HEAVEY ATOM IN " O HOH A 286" IS SET TO ZERO [0m [1;34m[WARNING #451] NO CHARGE RECORD FOUND FOR " O HOH A 286" (CHARGE IS SET = 0) [0m [1;34m[WARNING #452] NO RADIUS RECORD FOUND FOR " O HOH A 287" [0m [1;34m[WARNING #453] RADIUS OF HEAVEY ATOM IN " O HOH A 287" IS SET TO ZERO [0m [1;34m[WARNING #454] NO CHARGE RECORD FOUND FOR " O HOH A 287" (CHARGE IS SET = 0) [0m [1;34m[WARNING #455] NO RADIUS RECORD FOUND FOR " O HOH A 288" [0m [1;34m[WARNING #456] RADIUS OF HEAVEY ATOM IN " O HOH A 288" IS SET TO ZERO [0m [1;34m[WARNING #457] NO CHARGE RECORD FOUND FOR " O HOH A 288" (CHARGE IS SET = 0) [0m [1;34m[WARNING #458] NO RADIUS RECORD FOUND FOR " O HOH A 289" [0m [1;34m[WARNING #459] RADIUS OF HEAVEY ATOM IN " O HOH A 289" IS SET TO ZERO [0m [1;34m[WARNING #460] NO CHARGE RECORD FOUND FOR " O HOH A 289" (CHARGE IS SET = 0) [0m [1;34m[WARNING #461] NO RADIUS RECORD FOUND FOR " O HOH A 290" [0m [1;34m[WARNING #462] RADIUS OF HEAVEY ATOM IN " O HOH A 290" IS SET TO ZERO [0m [1;34m[WARNING #463] NO CHARGE RECORD FOUND FOR " O HOH A 290" (CHARGE IS SET = 0) [0m [1;34m[WARNING #464] NO RADIUS RECORD FOUND FOR " O HOH A 291" [0m [1;34m[WARNING #465] RADIUS OF HEAVEY ATOM IN " O HOH A 291" IS SET TO ZERO [0m [1;34m[WARNING #466] NO CHARGE RECORD FOUND FOR " O HOH A 291" (CHARGE IS SET = 0) [0m [1;34m[WARNING #467] NO RADIUS RECORD FOUND FOR " O HOH A 292" [0m [1;34m[WARNING #468] RADIUS OF HEAVEY ATOM IN " O HOH A 292" IS SET TO ZERO [0m [1;34m[WARNING #469] NO CHARGE RECORD FOUND FOR " O HOH A 292" (CHARGE IS SET = 0) [0m [1;34m[WARNING #470] NO RADIUS RECORD FOUND FOR " O HOH A 293" [0m [1;34m[WARNING #471] RADIUS OF HEAVEY ATOM IN " O HOH A 293" IS SET TO ZERO [0m [1;34m[WARNING #472] NO CHARGE RECORD FOUND FOR " O HOH A 293" (CHARGE IS SET = 0) [0m [1;34m[WARNING #473] NO RADIUS RECORD FOUND FOR " O HOH A 294" [0m [1;34m[WARNING #474] RADIUS OF HEAVEY ATOM IN " O HOH A 294" IS SET TO ZERO [0m [1;34m[WARNING #475] NO CHARGE RECORD FOUND FOR " O HOH A 294" (CHARGE IS SET = 0) [0m [1;34m[WARNING #476] NO RADIUS RECORD FOUND FOR " O HOH A 295" [0m [1;34m[WARNING #477] RADIUS OF HEAVEY ATOM IN " O HOH A 295" IS SET TO ZERO [0m [1;34m[WARNING #478] NO CHARGE RECORD FOUND FOR " O HOH A 295" (CHARGE IS SET = 0) [0m [1;34m[WARNING #479] NO RADIUS RECORD FOUND FOR " O HOH A 296" [0m [1;34m[WARNING #480] RADIUS OF HEAVEY ATOM IN " O HOH A 296" IS SET TO ZERO [0m [1;34m[WARNING #481] NO CHARGE RECORD FOUND FOR " O HOH A 296" (CHARGE IS SET = 0) [0m [1;34m[WARNING #482] NO RADIUS RECORD FOUND FOR " O HOH A 297" [0m [1;34m[WARNING #483] RADIUS OF HEAVEY ATOM IN " O HOH A 297" IS SET TO ZERO [0m [1;34m[WARNING #484] NO CHARGE RECORD FOUND FOR " O HOH A 297" (CHARGE IS SET = 0) [0m [1;34m[WARNING #485] NO RADIUS RECORD FOUND FOR " O HOH A 298" [0m [1;34m[WARNING #486] RADIUS OF HEAVEY ATOM IN " O HOH A 298" IS SET TO ZERO [0m [1;34m[WARNING #487] NO CHARGE RECORD FOUND FOR " O HOH A 298" (CHARGE IS SET = 0) [0m [1;34m[WARNING #488] NO RADIUS RECORD FOUND FOR " O HOH A 299" [0m [1;34m[WARNING #489] RADIUS OF HEAVEY ATOM IN " O HOH A 299" IS SET TO ZERO [0m [1;34m[WARNING #490] NO CHARGE RECORD FOUND FOR " O HOH A 299" (CHARGE IS SET = 0) [0m [1;34m[WARNING #491] NO RADIUS RECORD FOUND FOR " O HOH A 300" [0m [1;34m[WARNING #492] RADIUS OF HEAVEY ATOM IN " O HOH A 300" IS SET TO ZERO [0m [1;34m[WARNING #493] NO CHARGE RECORD FOUND FOR " O HOH A 300" (CHARGE IS SET = 0) [0m [1;34m[WARNING #494] NO RADIUS RECORD FOUND FOR " O HOH A 301" [0m [1;34m[WARNING #495] RADIUS OF HEAVEY ATOM IN " O HOH A 301" IS SET TO ZERO [0m [1;34m[WARNING #496] NO CHARGE RECORD FOUND FOR " O HOH A 301" (CHARGE IS SET = 0) [0m [1;34m[WARNING #497] NO RADIUS RECORD FOUND FOR " O HOH A 302" [0m [1;34m[WARNING #498] RADIUS OF HEAVEY ATOM IN " O HOH A 302" IS SET TO ZERO [0m [1;34m[WARNING #499] NO CHARGE RECORD FOUND FOR " O HOH A 302" (CHARGE IS SET = 0) [0m [1;34m[WARNING #500] NO RADIUS RECORD FOUND FOR " O HOH A 303" [0m [1;34m[WARNING #501] RADIUS OF HEAVEY ATOM IN " O HOH A 303" IS SET TO ZERO [0m [1;34m[WARNING #502] NO CHARGE RECORD FOUND FOR " O HOH A 303" (CHARGE IS SET = 0) [0m [1;34m[WARNING #503] NO RADIUS RECORD FOUND FOR " O HOH A 304" [0m [1;34m[WARNING #504] RADIUS OF HEAVEY ATOM IN " O HOH A 304" IS SET TO ZERO [0m [1;34m[WARNING #505] NO CHARGE RECORD FOUND FOR " O HOH A 304" (CHARGE IS SET = 0) [0m [1;34m[WARNING #506] NO RADIUS RECORD FOUND FOR " O HOH A 305" [0m [1;34m[WARNING #507] RADIUS OF HEAVEY ATOM IN " O HOH A 305" IS SET TO ZERO [0m [1;34m[WARNING #508] NO CHARGE RECORD FOUND FOR " O HOH A 305" (CHARGE IS SET = 0) [0m [1;34m[WARNING #509] NO RADIUS RECORD FOUND FOR " O HOH A 306" [0m [1;34m[WARNING #510] RADIUS OF HEAVEY ATOM IN " O HOH A 306" IS SET TO ZERO [0m [1;34m[WARNING #511] NO CHARGE RECORD FOUND FOR " O HOH A 306" (CHARGE IS SET = 0) [0m [1;34m[WARNING #512] NO RADIUS RECORD FOUND FOR " O HOH A 307" [0m [1;34m[WARNING #513] RADIUS OF HEAVEY ATOM IN " O HOH A 307" IS SET TO ZERO [0m [1;34m[WARNING #514] NO CHARGE RECORD FOUND FOR " O HOH A 307" (CHARGE IS SET = 0) [0m [1;34m[WARNING #515] NO RADIUS RECORD FOUND FOR " O HOH A 308" [0m [1;34m[WARNING #516] RADIUS OF HEAVEY ATOM IN " O HOH A 308" IS SET TO ZERO [0m [1;34m[WARNING #517] NO CHARGE RECORD FOUND FOR " O HOH A 308" (CHARGE IS SET = 0) [0m [1;34m[WARNING #518] NO RADIUS RECORD FOUND FOR " O HOH A 309" [0m [1;34m[WARNING #519] RADIUS OF HEAVEY ATOM IN " O HOH A 309" IS SET TO ZERO [0m [1;34m[WARNING #520] NO CHARGE RECORD FOUND FOR " O HOH A 309" (CHARGE IS SET = 0) [0m [1;34m[WARNING #521] NO RADIUS RECORD FOUND FOR " O HOH A 310" [0m [1;34m[WARNING #522] RADIUS OF HEAVEY ATOM IN " O HOH A 310" IS SET TO ZERO [0m [1;34m[WARNING #523] NO CHARGE RECORD FOUND FOR " O HOH A 310" (CHARGE IS SET = 0) [0m [1;34m[WARNING #524] NO RADIUS RECORD FOUND FOR " O HOH A 311" [0m [1;34m[WARNING #525] RADIUS OF HEAVEY ATOM IN " O HOH A 311" IS SET TO ZERO [0m [1;34m[WARNING #526] NO CHARGE RECORD FOUND FOR " O HOH A 311" (CHARGE IS SET = 0) [0m [1;34m[WARNING #527] NO RADIUS RECORD FOUND FOR " O HOH A 312" [0m [1;34m[WARNING #528] RADIUS OF HEAVEY ATOM IN " O HOH A 312" IS SET TO ZERO [0m [1;34m[WARNING #529] NO CHARGE RECORD FOUND FOR " O HOH A 312" (CHARGE IS SET = 0) [0m [1;34m[WARNING #530] NO RADIUS RECORD FOUND FOR " O HOH A 313" [0m [1;34m[WARNING #531] RADIUS OF HEAVEY ATOM IN " O HOH A 313" IS SET TO ZERO [0m [1;34m[WARNING #532] NO CHARGE RECORD FOUND FOR " O HOH A 313" (CHARGE IS SET = 0) [0m [1;34m[WARNING #533] NO RADIUS RECORD FOUND FOR " O HOH A 314" [0m [1;34m[WARNING #534] RADIUS OF HEAVEY ATOM IN " O HOH A 314" IS SET TO ZERO [0m [1;34m[WARNING #535] NO CHARGE RECORD FOUND FOR " O HOH A 314" (CHARGE IS SET = 0) [0m [1;34m[WARNING #536] NO RADIUS RECORD FOUND FOR " O HOH A 315" [0m [1;34m[WARNING #537] RADIUS OF HEAVEY ATOM IN " O HOH A 315" IS SET TO ZERO [0m [1;34m[WARNING #538] NO CHARGE RECORD FOUND FOR " O HOH A 315" (CHARGE IS SET = 0) [0m [1;34m[WARNING #539] NO RADIUS RECORD FOUND FOR " O HOH A 316" [0m [1;34m[WARNING #540] RADIUS OF HEAVEY ATOM IN " O HOH A 316" IS SET TO ZERO [0m [1;34m[WARNING #541] NO CHARGE RECORD FOUND FOR " O HOH A 316" (CHARGE IS SET = 0) [0m [1;34m[WARNING #542] NO RADIUS RECORD FOUND FOR " O HOH B 212" [0m [1;34m[WARNING #543] RADIUS OF HEAVEY ATOM IN " O HOH B 212" IS SET TO ZERO [0m [1;34m[WARNING #544] NO CHARGE RECORD FOUND FOR " O HOH B 212" (CHARGE IS SET = 0) [0m [1;34m[WARNING #545] NO RADIUS RECORD FOUND FOR " O HOH B 213" [0m [1;34m[WARNING #546] RADIUS OF HEAVEY ATOM IN " O HOH B 213" IS SET TO ZERO [0m [1;34m[WARNING #547] NO CHARGE RECORD FOUND FOR " O HOH B 213" (CHARGE IS SET = 0) [0m [1;34m[WARNING #548] NO RADIUS RECORD FOUND FOR " O HOH B 214" [0m [1;34m[WARNING #549] RADIUS OF HEAVEY ATOM IN " O HOH B 214" IS SET TO ZERO [0m [1;34m[WARNING #550] NO CHARGE RECORD FOUND FOR " O HOH B 214" (CHARGE IS SET = 0) [0m [1;34m[WARNING #551] NO RADIUS RECORD FOUND FOR " O HOH B 215" [0m [1;34m[WARNING #552] RADIUS OF HEAVEY ATOM IN " O HOH B 215" IS SET TO ZERO [0m [1;34m[WARNING #553] NO CHARGE RECORD FOUND FOR " O HOH B 215" (CHARGE IS SET = 0) [0m [1;34m[WARNING #554] NO RADIUS RECORD FOUND FOR " O HOH B 216" [0m [1;34m[WARNING #555] RADIUS OF HEAVEY ATOM IN " O HOH B 216" IS SET TO ZERO [0m [1;34m[WARNING #556] NO CHARGE RECORD FOUND FOR " O HOH B 216" (CHARGE IS SET = 0) [0m [1;34m[WARNING #557] NO RADIUS RECORD FOUND FOR " O HOH B 217" [0m [1;34m[WARNING #558] RADIUS OF HEAVEY ATOM IN " O HOH B 217" IS SET TO ZERO [0m [1;34m[WARNING #559] NO CHARGE RECORD FOUND FOR " O HOH B 217" (CHARGE IS SET = 0) [0m [1;34m[WARNING #560] NO RADIUS RECORD FOUND FOR " O HOH B 218" [0m [1;34m[WARNING #561] RADIUS OF HEAVEY ATOM IN " O HOH B 218" IS SET TO ZERO [0m [1;34m[WARNING #562] NO CHARGE RECORD FOUND FOR " O HOH B 218" (CHARGE IS SET = 0) [0m [1;34m[WARNING #563] NO RADIUS RECORD FOUND FOR " O HOH B 219" [0m [1;34m[WARNING #564] RADIUS OF HEAVEY ATOM IN " O HOH B 219" IS SET TO ZERO [0m [1;34m[WARNING #565] NO CHARGE RECORD FOUND FOR " O HOH B 219" (CHARGE IS SET = 0) [0m [1;34m[WARNING #566] NO RADIUS RECORD FOUND FOR " O HOH B 220" [0m [1;34m[WARNING #567] RADIUS OF HEAVEY ATOM IN " O HOH B 220" IS SET TO ZERO [0m [1;34m[WARNING #568] NO CHARGE RECORD FOUND FOR " O HOH B 220" (CHARGE IS SET = 0) [0m [1;34m[WARNING #569] NO RADIUS RECORD FOUND FOR " O HOH B 221" [0m [1;34m[WARNING #570] RADIUS OF HEAVEY ATOM IN " O HOH B 221" IS SET TO ZERO [0m [1;34m[WARNING #571] NO CHARGE RECORD FOUND FOR " O HOH B 221" (CHARGE IS SET = 0) [0m [1;34m[WARNING #572] NO RADIUS RECORD FOUND FOR " O HOH B 222" [0m [1;34m[WARNING #573] RADIUS OF HEAVEY ATOM IN " O HOH B 222" IS SET TO ZERO [0m [1;34m[WARNING #574] NO CHARGE RECORD FOUND FOR " O HOH B 222" (CHARGE IS SET = 0) [0m [1;34m[WARNING #575] NO RADIUS RECORD FOUND FOR " O HOH B 223" [0m [1;34m[WARNING #576] RADIUS OF HEAVEY ATOM IN " O HOH B 223" IS SET TO ZERO [0m [1;34m[WARNING #577] NO CHARGE RECORD FOUND FOR " O HOH B 223" (CHARGE IS SET = 0) [0m [1;34m[WARNING #578] NO RADIUS RECORD FOUND FOR " O HOH B 224" [0m [1;34m[WARNING #579] RADIUS OF HEAVEY ATOM IN " O HOH B 224" IS SET TO ZERO [0m [1;34m[WARNING #580] NO CHARGE RECORD FOUND FOR " O HOH B 224" (CHARGE IS SET = 0) [0m [1;34m[WARNING #581] NO RADIUS RECORD FOUND FOR " O HOH B 225" [0m [1;34m[WARNING #582] RADIUS OF HEAVEY ATOM IN " O HOH B 225" IS SET TO ZERO [0m [1;34m[WARNING #583] NO CHARGE RECORD FOUND FOR " O HOH B 225" (CHARGE IS SET = 0) [0m [1;34m[WARNING #584] NO RADIUS RECORD FOUND FOR " O HOH B 226" [0m [1;34m[WARNING #585] RADIUS OF HEAVEY ATOM IN " O HOH B 226" IS SET TO ZERO [0m [1;34m[WARNING #586] NO CHARGE RECORD FOUND FOR " O HOH B 226" (CHARGE IS SET = 0) [0m [1;34m[WARNING #587] NO RADIUS RECORD FOUND FOR " O HOH B 227" [0m [1;34m[WARNING #588] RADIUS OF HEAVEY ATOM IN " O HOH B 227" IS SET TO ZERO [0m [1;34m[WARNING #589] NO CHARGE RECORD FOUND FOR " O HOH B 227" (CHARGE IS SET = 0) [0m [1;34m[WARNING #590] NO RADIUS RECORD FOUND FOR " O HOH B 228" [0m [1;34m[WARNING #591] RADIUS OF HEAVEY ATOM IN " O HOH B 228" IS SET TO ZERO [0m [1;34m[WARNING #592] NO CHARGE RECORD FOUND FOR " O HOH B 228" (CHARGE IS SET = 0) [0m [1;34m[WARNING #593] NO RADIUS RECORD FOUND FOR " O HOH B 229" [0m [1;34m[WARNING #594] RADIUS OF HEAVEY ATOM IN " O HOH B 229" IS SET TO ZERO [0m [1;34m[WARNING #595] NO CHARGE RECORD FOUND FOR " O HOH B 229" (CHARGE IS SET = 0) [0m [1;34m[WARNING #596] NO RADIUS RECORD FOUND FOR " O HOH B 230" [0m [1;34m[WARNING #597] RADIUS OF HEAVEY ATOM IN " O HOH B 230" IS SET TO ZERO [0m [1;34m[WARNING #598] NO CHARGE RECORD FOUND FOR " O HOH B 230" (CHARGE IS SET = 0) [0m [1;34m[WARNING #599] NO RADIUS RECORD FOUND FOR " O HOH B 231" [0m [1;34m[WARNING #600] RADIUS OF HEAVEY ATOM IN " O HOH B 231" IS SET TO ZERO [0m [1;34m[WARNING #601] NO CHARGE RECORD FOUND FOR " O HOH B 231" (CHARGE IS SET = 0) [0m [1;34m[WARNING #602] NO RADIUS RECORD FOUND FOR " O HOH B 232" [0m [1;34m[WARNING #603] RADIUS OF HEAVEY ATOM IN " O HOH B 232" IS SET TO ZERO [0m [1;34m[WARNING #604] NO CHARGE RECORD FOUND FOR " O HOH B 232" (CHARGE IS SET = 0) [0m [1;34m[WARNING #605] NO RADIUS RECORD FOUND FOR " O HOH B 233" [0m [1;34m[WARNING #606] RADIUS OF HEAVEY ATOM IN " O HOH B 233" IS SET TO ZERO [0m [1;34m[WARNING #607] NO CHARGE RECORD FOUND FOR " O HOH B 233" (CHARGE IS SET = 0) [0m [1;34m[WARNING #608] NO RADIUS RECORD FOUND FOR " O HOH B 234" [0m [1;34m[WARNING #609] RADIUS OF HEAVEY ATOM IN " O HOH B 234" IS SET TO ZERO [0m [1;34m[WARNING #610] NO CHARGE RECORD FOUND FOR " O HOH B 234" (CHARGE IS SET = 0) [0m [1;34m[WARNING #611] NO RADIUS RECORD FOUND FOR " O HOH B 235" [0m [1;34m[WARNING #612] RADIUS OF HEAVEY ATOM IN " O HOH B 235" IS SET TO ZERO [0m [1;34m[WARNING #613] NO CHARGE RECORD FOUND FOR " O HOH B 235" (CHARGE IS SET = 0) [0m [1;34m[WARNING #614] NO RADIUS RECORD FOUND FOR " O HOH B 236" [0m [1;34m[WARNING #615] RADIUS OF HEAVEY ATOM IN " O HOH B 236" IS SET TO ZERO [0m [1;34m[WARNING #616] NO CHARGE RECORD FOUND FOR " O HOH B 236" (CHARGE IS SET = 0) [0m [1;34m[WARNING #617] NO RADIUS RECORD FOUND FOR " O HOH B 237" [0m [1;34m[WARNING #618] RADIUS OF HEAVEY ATOM IN " O HOH B 237" IS SET TO ZERO [0m [1;34m[WARNING #619] NO CHARGE RECORD FOUND FOR " O HOH B 237" (CHARGE IS SET = 0) [0m [1;34m[WARNING #620] NO RADIUS RECORD FOUND FOR " O HOH B 238" [0m [1;34m[WARNING #621] RADIUS OF HEAVEY ATOM IN " O HOH B 238" IS SET TO ZERO [0m [1;34m[WARNING #622] NO CHARGE RECORD FOUND FOR " O HOH B 238" (CHARGE IS SET = 0) [0m [1;34m[WARNING #623] NO RADIUS RECORD FOUND FOR " O HOH B 239" [0m [1;34m[WARNING #624] RADIUS OF HEAVEY ATOM IN " O HOH B 239" IS SET TO ZERO [0m [1;34m[WARNING #625] NO CHARGE RECORD FOUND FOR " O HOH B 239" (CHARGE IS SET = 0) [0m [1;34m[WARNING #626] NO RADIUS RECORD FOUND FOR " O HOH B 240" [0m [1;34m[WARNING #627] RADIUS OF HEAVEY ATOM IN " O HOH B 240" IS SET TO ZERO [0m [1;34m[WARNING #628] NO CHARGE RECORD FOUND FOR " O HOH B 240" (CHARGE IS SET = 0) [0m [1;34m[WARNING #629] NO RADIUS RECORD FOUND FOR " O HOH B 241" [0m [1;34m[WARNING #630] RADIUS OF HEAVEY ATOM IN " O HOH B 241" IS SET TO ZERO [0m [1;34m[WARNING #631] NO CHARGE RECORD FOUND FOR " O HOH B 241" (CHARGE IS SET = 0) [0m [1;34m[WARNING #632] NO RADIUS RECORD FOUND FOR " O HOH B 242" [0m [1;34m[WARNING #633] RADIUS OF HEAVEY ATOM IN " O HOH B 242" IS SET TO ZERO [0m [1;34m[WARNING #634] NO CHARGE RECORD FOUND FOR " O HOH B 242" (CHARGE IS SET = 0) [0m [1;34m[WARNING #635] NO RADIUS RECORD FOUND FOR " O HOH B 243" [0m [1;34m[WARNING #636] RADIUS OF HEAVEY ATOM IN " O HOH B 243" IS SET TO ZERO [0m [1;34m[WARNING #637] NO CHARGE RECORD FOUND FOR " O HOH B 243" (CHARGE IS SET = 0) [0m [1;34m[WARNING #638] NO RADIUS RECORD FOUND FOR " O HOH B 244" [0m [1;34m[WARNING #639] RADIUS OF HEAVEY ATOM IN " O HOH B 244" IS SET TO ZERO [0m [1;34m[WARNING #640] NO CHARGE RECORD FOUND FOR " O HOH B 244" (CHARGE IS SET = 0) [0m [1;34m[WARNING #641] NO RADIUS RECORD FOUND FOR " O HOH B 245" [0m [1;34m[WARNING #642] RADIUS OF HEAVEY ATOM IN " O HOH B 245" IS SET TO ZERO [0m [1;34m[WARNING #643] NO CHARGE RECORD FOUND FOR " O HOH B 245" (CHARGE IS SET = 0) [0m [1;34m[WARNING #644] NO RADIUS RECORD FOUND FOR " O HOH B 246" [0m [1;34m[WARNING #645] RADIUS OF HEAVEY ATOM IN " O HOH B 246" IS SET TO ZERO [0m [1;34m[WARNING #646] NO CHARGE RECORD FOUND FOR " O HOH B 246" (CHARGE IS SET = 0) [0m [1;34m[WARNING #647] NO RADIUS RECORD FOUND FOR " O HOH B 247" [0m [1;34m[WARNING #648] RADIUS OF HEAVEY ATOM IN " O HOH B 247" IS SET TO ZERO [0m [1;34m[WARNING #649] NO CHARGE RECORD FOUND FOR " O HOH B 247" (CHARGE IS SET = 0) [0m [1;34m[WARNING #650] NO RADIUS RECORD FOUND FOR " O HOH B 248" [0m [1;34m[WARNING #651] RADIUS OF HEAVEY ATOM IN " O HOH B 248" IS SET TO ZERO [0m [1;34m[WARNING #652] NO CHARGE RECORD FOUND FOR " O HOH B 248" (CHARGE IS SET = 0) [0m [1;34m[WARNING #653] NO RADIUS RECORD FOUND FOR " O HOH B 249" [0m [1;34m[WARNING #654] RADIUS OF HEAVEY ATOM IN " O HOH B 249" IS SET TO ZERO [0m [1;34m[WARNING #655] NO CHARGE RECORD FOUND FOR " O HOH B 249" (CHARGE IS SET = 0) [0m [1;34m[WARNING #656] NO RADIUS RECORD FOUND FOR " O HOH B 250" [0m [1;34m[WARNING #657] RADIUS OF HEAVEY ATOM IN " O HOH B 250" IS SET TO ZERO [0m [1;34m[WARNING #658] NO CHARGE RECORD FOUND FOR " O HOH B 250" (CHARGE IS SET = 0) [0m [1;34m[WARNING #659] NO RADIUS RECORD FOUND FOR " O HOH B 251" [0m [1;34m[WARNING #660] RADIUS OF HEAVEY ATOM IN " O HOH B 251" IS SET TO ZERO [0m [1;34m[WARNING #661] NO CHARGE RECORD FOUND FOR " O HOH B 251" (CHARGE IS SET = 0) [0m [1;34m[WARNING #662] NO RADIUS RECORD FOUND FOR " O HOH B 252" [0m [1;34m[WARNING #663] RADIUS OF HEAVEY ATOM IN " O HOH B 252" IS SET TO ZERO [0m [1;34m[WARNING #664] NO CHARGE RECORD FOUND FOR " O HOH B 252" (CHARGE IS SET = 0) [0m [1;34m[WARNING #665] NO RADIUS RECORD FOUND FOR " O HOH B 253" [0m [1;34m[WARNING #666] RADIUS OF HEAVEY ATOM IN " O HOH B 253" IS SET TO ZERO [0m [1;34m[WARNING #667] NO CHARGE RECORD FOUND FOR " O HOH B 253" (CHARGE IS SET = 0) [0m [1;34m[WARNING #668] NO RADIUS RECORD FOUND FOR " O HOH B 254" [0m [1;34m[WARNING #669] RADIUS OF HEAVEY ATOM IN " O HOH B 254" IS SET TO ZERO [0m [1;34m[WARNING #670] NO CHARGE RECORD FOUND FOR " O HOH B 254" (CHARGE IS SET = 0) [0m [1;34m[WARNING #671] NO RADIUS RECORD FOUND FOR " O HOH B 255" [0m [1;34m[WARNING #672] RADIUS OF HEAVEY ATOM IN " O HOH B 255" IS SET TO ZERO [0m [1;34m[WARNING #673] NO CHARGE RECORD FOUND FOR " O HOH B 255" (CHARGE IS SET = 0) [0m [1;34m[WARNING #674] NO RADIUS RECORD FOUND FOR " O HOH B 256" [0m [1;34m[WARNING #675] RADIUS OF HEAVEY ATOM IN " O HOH B 256" IS SET TO ZERO [0m [1;34m[WARNING #676] NO CHARGE RECORD FOUND FOR " O HOH B 256" (CHARGE IS SET = 0) [0m [1;34m[WARNING #677] NO RADIUS RECORD FOUND FOR " O HOH B 257" [0m [1;34m[WARNING #678] RADIUS OF HEAVEY ATOM IN " O HOH B 257" IS SET TO ZERO [0m [1;34m[WARNING #679] NO CHARGE RECORD FOUND FOR " O HOH B 257" (CHARGE IS SET = 0) [0m [1;34m[WARNING #680] NO RADIUS RECORD FOUND FOR " O HOH B 258" [0m [1;34m[WARNING #681] RADIUS OF HEAVEY ATOM IN " O HOH B 258" IS SET TO ZERO [0m [1;34m[WARNING #682] NO CHARGE RECORD FOUND FOR " O HOH B 258" (CHARGE IS SET = 0) [0m [1;34m[WARNING #683] NO RADIUS RECORD FOUND FOR " O HOH B 259" [0m [1;34m[WARNING #684] RADIUS OF HEAVEY ATOM IN " O HOH B 259" IS SET TO ZERO [0m [1;34m[WARNING #685] NO CHARGE RECORD FOUND FOR " O HOH B 259" (CHARGE IS SET = 0) [0m [1;34m[WARNING #686] NO RADIUS RECORD FOUND FOR " O HOH B 260" [0m [1;34m[WARNING #687] RADIUS OF HEAVEY ATOM IN " O HOH B 260" IS SET TO ZERO [0m [1;34m[WARNING #688] NO CHARGE RECORD FOUND FOR " O HOH B 260" (CHARGE IS SET = 0) [0m [1;34m[WARNING #689] NO RADIUS RECORD FOUND FOR " O HOH B 261" [0m [1;34m[WARNING #690] RADIUS OF HEAVEY ATOM IN " O HOH B 261" IS SET TO ZERO [0m [1;34m[WARNING #691] NO CHARGE RECORD FOUND FOR " O HOH B 261" (CHARGE IS SET = 0) [0m [1;34m[WARNING #692] NO RADIUS RECORD FOUND FOR " O HOH B 262" [0m [1;34m[WARNING #693] RADIUS OF HEAVEY ATOM IN " O HOH B 262" IS SET TO ZERO [0m [1;34m[WARNING #694] NO CHARGE RECORD FOUND FOR " O HOH B 262" (CHARGE IS SET = 0) [0m [1;34m[WARNING #695] NO RADIUS RECORD FOUND FOR " O HOH B 263" [0m [1;34m[WARNING #696] RADIUS OF HEAVEY ATOM IN " O HOH B 263" IS SET TO ZERO [0m [1;34m[WARNING #697] NO CHARGE RECORD FOUND FOR " O HOH B 263" (CHARGE IS SET = 0) [0m [1;34m[WARNING #698] NO RADIUS RECORD FOUND FOR " O HOH B 264" [0m [1;34m[WARNING #699] RADIUS OF HEAVEY ATOM IN " O HOH B 264" IS SET TO ZERO [0m [1;34m[WARNING #700] NO CHARGE RECORD FOUND FOR " O HOH B 264" (CHARGE IS SET = 0) [0m [1;34m[WARNING #701] NO RADIUS RECORD FOUND FOR " O HOH B 265" [0m [1;34m[WARNING #702] RADIUS OF HEAVEY ATOM IN " O HOH B 265" IS SET TO ZERO [0m [1;34m[WARNING #703] NO CHARGE RECORD FOUND FOR " O HOH B 265" (CHARGE IS SET = 0) [0m [1;34m[WARNING #704] NO RADIUS RECORD FOUND FOR " O HOH B 266" [0m [1;34m[WARNING #705] RADIUS OF HEAVEY ATOM IN " O HOH B 266" IS SET TO ZERO [0m [1;34m[WARNING #706] NO CHARGE RECORD FOUND FOR " O HOH B 266" (CHARGE IS SET = 0) [0m [1;34m[WARNING #707] NO RADIUS RECORD FOUND FOR " O HOH B 267" [0m [1;34m[WARNING #708] RADIUS OF HEAVEY ATOM IN " O HOH B 267" IS SET TO ZERO [0m [1;34m[WARNING #709] NO CHARGE RECORD FOUND FOR " O HOH B 267" (CHARGE IS SET = 0) [0m [1;34m[WARNING #710] NO RADIUS RECORD FOUND FOR " O HOH B 268" [0m [1;34m[WARNING #711] RADIUS OF HEAVEY ATOM IN " O HOH B 268" IS SET TO ZERO [0m [1;34m[WARNING #712] NO CHARGE RECORD FOUND FOR " O HOH B 268" (CHARGE IS SET = 0) [0m [1;34m[WARNING #713] NO RADIUS RECORD FOUND FOR " O HOH B 269" [0m [1;34m[WARNING #714] RADIUS OF HEAVEY ATOM IN " O HOH B 269" IS SET TO ZERO [0m [1;34m[WARNING #715] NO CHARGE RECORD FOUND FOR " O HOH B 269" (CHARGE IS SET = 0) [0m [1;34m[WARNING #716] NO RADIUS RECORD FOUND FOR " O HOH B 270" [0m [1;34m[WARNING #717] RADIUS OF HEAVEY ATOM IN " O HOH B 270" IS SET TO ZERO [0m [1;34m[WARNING #718] NO CHARGE RECORD FOUND FOR " O HOH B 270" (CHARGE IS SET = 0) [0m [1;34m[WARNING #719] NO RADIUS RECORD FOUND FOR " O HOH B 271" [0m [1;34m[WARNING #720] RADIUS OF HEAVEY ATOM IN " O HOH B 271" IS SET TO ZERO [0m [1;34m[WARNING #721] NO CHARGE RECORD FOUND FOR " O HOH B 271" (CHARGE IS SET = 0) [0m [1;34m[WARNING #722] NO RADIUS RECORD FOUND FOR " O HOH B 272" [0m [1;34m[WARNING #723] RADIUS OF HEAVEY ATOM IN " O HOH B 272" IS SET TO ZERO [0m [1;34m[WARNING #724] NO CHARGE RECORD FOUND FOR " O HOH B 272" (CHARGE IS SET = 0) [0m [1;34m[WARNING #725] NO RADIUS RECORD FOUND FOR " O HOH B 273" [0m [1;34m[WARNING #726] RADIUS OF HEAVEY ATOM IN " O HOH B 273" IS SET TO ZERO [0m [1;34m[WARNING #727] NO CHARGE RECORD FOUND FOR " O HOH B 273" (CHARGE IS SET = 0) [0m [1;34m[WARNING #728] NO RADIUS RECORD FOUND FOR " O HOH B 274" [0m [1;34m[WARNING #729] RADIUS OF HEAVEY ATOM IN " O HOH B 274" IS SET TO ZERO [0m [1;34m[WARNING #730] NO CHARGE RECORD FOUND FOR " O HOH B 274" (CHARGE IS SET = 0) [0m [1;34m[WARNING #731] NO RADIUS RECORD FOUND FOR " O HOH B 275" [0m [1;34m[WARNING #732] RADIUS OF HEAVEY ATOM IN " O HOH B 275" IS SET TO ZERO [0m [1;34m[WARNING #733] NO CHARGE RECORD FOUND FOR " O HOH B 275" (CHARGE IS SET = 0) [0m [1;34m[WARNING #734] NO RADIUS RECORD FOUND FOR " O HOH B 276" [0m [1;34m[WARNING #735] RADIUS OF HEAVEY ATOM IN " O HOH B 276" IS SET TO ZERO [0m [1;34m[WARNING #736] NO CHARGE RECORD FOUND FOR " O HOH B 276" (CHARGE IS SET = 0) [0m [1;34m[WARNING #737] NO RADIUS RECORD FOUND FOR " O HOH B 277" [0m [1;34m[WARNING #738] RADIUS OF HEAVEY ATOM IN " O HOH B 277" IS SET TO ZERO [0m [1;34m[WARNING #739] NO CHARGE RECORD FOUND FOR " O HOH B 277" (CHARGE IS SET = 0) [0m [1;34m[WARNING #740] NO RADIUS RECORD FOUND FOR " O HOH B 278" [0m [1;34m[WARNING #741] RADIUS OF HEAVEY ATOM IN " O HOH B 278" IS SET TO ZERO [0m [1;34m[WARNING #742] NO CHARGE RECORD FOUND FOR " O HOH B 278" (CHARGE IS SET = 0) [0m [1;34m[WARNING #743] NO RADIUS RECORD FOUND FOR " O HOH B 279" [0m [1;34m[WARNING #744] RADIUS OF HEAVEY ATOM IN " O HOH B 279" IS SET TO ZERO [0m [1;34m[WARNING #745] NO CHARGE RECORD FOUND FOR " O HOH B 279" (CHARGE IS SET = 0) [0m [1;34m[WARNING #746] NO RADIUS RECORD FOUND FOR " O HOH B 280" [0m [1;34m[WARNING #747] RADIUS OF HEAVEY ATOM IN " O HOH B 280" IS SET TO ZERO [0m [1;34m[WARNING #748] NO CHARGE RECORD FOUND FOR " O HOH B 280" (CHARGE IS SET = 0) [0m [1;34m[WARNING #749] NO RADIUS RECORD FOUND FOR " O HOH B 281" [0m [1;34m[WARNING #750] RADIUS OF HEAVEY ATOM IN " O HOH B 281" IS SET TO ZERO [0m [1;34m[WARNING #751] NO CHARGE RECORD FOUND FOR " O HOH B 281" (CHARGE IS SET = 0) [0m [1;34m[WARNING #752] NO RADIUS RECORD FOUND FOR " O HOH B 282" [0m [1;34m[WARNING #753] RADIUS OF HEAVEY ATOM IN " O HOH B 282" IS SET TO ZERO [0m [1;34m[WARNING #754] NO CHARGE RECORD FOUND FOR " O HOH B 282" (CHARGE IS SET = 0) [0m [1;34m[WARNING #755] NO RADIUS RECORD FOUND FOR " O HOH B 283" [0m [1;34m[WARNING #756] RADIUS OF HEAVEY ATOM IN " O HOH B 283" IS SET TO ZERO [0m [1;34m[WARNING #757] NO CHARGE RECORD FOUND FOR " O HOH B 283" (CHARGE IS SET = 0) [0m [1;34m[WARNING #758] NO RADIUS RECORD FOUND FOR " O HOH B 284" [0m [1;34m[WARNING #759] RADIUS OF HEAVEY ATOM IN " O HOH B 284" IS SET TO ZERO [0m [1;34m[WARNING #760] NO CHARGE RECORD FOUND FOR " O HOH B 284" (CHARGE IS SET = 0) [0m [1;34m[WARNING #761] NO RADIUS RECORD FOUND FOR " O HOH B 285" [0m [1;34m[WARNING #762] RADIUS OF HEAVEY ATOM IN " O HOH B 285" IS SET TO ZERO [0m [1;34m[WARNING #763] NO CHARGE RECORD FOUND FOR " O HOH B 285" (CHARGE IS SET = 0) [0m [1;34m[WARNING #764] NO RADIUS RECORD FOUND FOR " O HOH B 286" [0m [1;34m[WARNING #765] RADIUS OF HEAVEY ATOM IN " O HOH B 286" IS SET TO ZERO [0m [1;34m[WARNING #766] NO CHARGE RECORD FOUND FOR " O HOH B 286" (CHARGE IS SET = 0) [0m [1;34m[WARNING #767] NO RADIUS RECORD FOUND FOR " O HOH B 287" [0m [1;34m[WARNING #768] RADIUS OF HEAVEY ATOM IN " O HOH B 287" IS SET TO ZERO [0m [1;34m[WARNING #769] NO CHARGE RECORD FOUND FOR " O HOH B 287" (CHARGE IS SET = 0) [0m [1;34m[WARNING #770] NO RADIUS RECORD FOUND FOR " O HOH B 288" [0m [1;34m[WARNING #771] RADIUS OF HEAVEY ATOM IN " O HOH B 288" IS SET TO ZERO [0m [1;34m[WARNING #772] NO CHARGE RECORD FOUND FOR " O HOH B 288" (CHARGE IS SET = 0) [0m [1;34m[WARNING #773] NO RADIUS RECORD FOUND FOR " O HOH B 289" [0m [1;34m[WARNING #774] RADIUS OF HEAVEY ATOM IN " O HOH B 289" IS SET TO ZERO [0m [1;34m[WARNING #775] NO CHARGE RECORD FOUND FOR " O HOH B 289" (CHARGE IS SET = 0) [0m [1;34m[WARNING #776] NO RADIUS RECORD FOUND FOR " O HOH B 290" [0m [1;34m[WARNING #777] RADIUS OF HEAVEY ATOM IN " O HOH B 290" IS SET TO ZERO [0m [1;34m[WARNING #778] NO CHARGE RECORD FOUND FOR " O HOH B 290" (CHARGE IS SET = 0) [0m [1;34m[WARNING #779] NO RADIUS RECORD FOUND FOR " O HOH B 291" [0m [1;34m[WARNING #780] RADIUS OF HEAVEY ATOM IN " O HOH B 291" IS SET TO ZERO [0m [1;34m[WARNING #781] NO CHARGE RECORD FOUND FOR " O HOH B 291" (CHARGE IS SET = 0) [0m [1;34m[WARNING #782] NO RADIUS RECORD FOUND FOR " O HOH B 292" [0m [1;34m[WARNING #783] RADIUS OF HEAVEY ATOM IN " O HOH B 292" IS SET TO ZERO [0m [1;34m[WARNING #784] NO CHARGE RECORD FOUND FOR " O HOH B 292" (CHARGE IS SET = 0) [0m [1;34m[WARNING #785] NO RADIUS RECORD FOUND FOR " O HOH B 293" [0m [1;34m[WARNING #786] RADIUS OF HEAVEY ATOM IN " O HOH B 293" IS SET TO ZERO [0m [1;34m[WARNING #787] NO CHARGE RECORD FOUND FOR " O HOH B 293" (CHARGE IS SET = 0) [0m [1;34m[WARNING #788] NO RADIUS RECORD FOUND FOR " O HOH B 294" [0m [1;34m[WARNING #789] RADIUS OF HEAVEY ATOM IN " O HOH B 294" IS SET TO ZERO [0m [1;34m[WARNING #790] NO CHARGE RECORD FOUND FOR " O HOH B 294" (CHARGE IS SET = 0) [0m [1;34m[WARNING #791] NO RADIUS RECORD FOUND FOR " O HOH B 295" [0m [1;34m[WARNING #792] RADIUS OF HEAVEY ATOM IN " O HOH B 295" IS SET TO ZERO [0m [1;34m[WARNING #793] NO CHARGE RECORD FOUND FOR " O HOH B 295" (CHARGE IS SET = 0) [0m [1;34m[WARNING #794] NO RADIUS RECORD FOUND FOR " O HOH B 296" [0m [1;34m[WARNING #795] RADIUS OF HEAVEY ATOM IN " O HOH B 296" IS SET TO ZERO [0m [1;34m[WARNING #796] NO CHARGE RECORD FOUND FOR " O HOH B 296" (CHARGE IS SET = 0) [0m [1;34m[WARNING #797] NO RADIUS RECORD FOUND FOR " O HOH B 297" [0m [1;34m[WARNING #798] RADIUS OF HEAVEY ATOM IN " O HOH B 297" IS SET TO ZERO [0m [1;34m[WARNING #799] NO CHARGE RECORD FOUND FOR " O HOH B 297" (CHARGE IS SET = 0) [0m [1;34m[WARNING #800] NO RADIUS RECORD FOUND FOR " O HOH B 298" [0m [1;34m[WARNING #801] RADIUS OF HEAVEY ATOM IN " O HOH B 298" IS SET TO ZERO [0m [1;34m[WARNING #802] NO CHARGE RECORD FOUND FOR " O HOH B 298" (CHARGE IS SET = 0) [0m [1;34m[WARNING #803] NO RADIUS RECORD FOUND FOR " O HOH B 299" [0m [1;34m[WARNING #804] RADIUS OF HEAVEY ATOM IN " O HOH B 299" IS SET TO ZERO [0m [1;34m[WARNING #805] NO CHARGE RECORD FOUND FOR " O HOH B 299" (CHARGE IS SET = 0) [0m [1;34m[WARNING #806] NO RADIUS RECORD FOUND FOR " O HOH B 300" [0m [1;34m[WARNING #807] RADIUS OF HEAVEY ATOM IN " O HOH B 300" IS SET TO ZERO [0m [1;34m[WARNING #808] NO CHARGE RECORD FOUND FOR " O HOH B 300" (CHARGE IS SET = 0) [0m [1;34m[WARNING #809] NO RADIUS RECORD FOUND FOR " O HOH B 301" [0m [1;34m[WARNING #810] RADIUS OF HEAVEY ATOM IN " O HOH B 301" IS SET TO ZERO [0m [1;34m[WARNING #811] NO CHARGE RECORD FOUND FOR " O HOH B 301" (CHARGE IS SET = 0) [0m [1;34m[WARNING #812] NO RADIUS RECORD FOUND FOR " O HOH B 302" [0m [1;34m[WARNING #813] RADIUS OF HEAVEY ATOM IN " O HOH B 302" IS SET TO ZERO [0m [1;34m[WARNING #814] NO CHARGE RECORD FOUND FOR " O HOH B 302" (CHARGE IS SET = 0) [0m [1;34m[WARNING #815] NO RADIUS RECORD FOUND FOR " O HOH B 303" [0m [1;34m[WARNING #816] RADIUS OF HEAVEY ATOM IN " O HOH B 303" IS SET TO ZERO [0m [1;34m[WARNING #817] NO CHARGE RECORD FOUND FOR " O HOH B 303" (CHARGE IS SET = 0) [0m [1;34m[WARNING #818] NO RADIUS RECORD FOUND FOR " O HOH B 304" [0m [1;34m[WARNING #819] RADIUS OF HEAVEY ATOM IN " O HOH B 304" IS SET TO ZERO [0m [1;34m[WARNING #820] NO CHARGE RECORD FOUND FOR " O HOH B 304" (CHARGE IS SET = 0) [0m [1;34m[WARNING #821] NO RADIUS RECORD FOUND FOR " O HOH B 305" [0m [1;34m[WARNING #822] RADIUS OF HEAVEY ATOM IN " O HOH B 305" IS SET TO ZERO [0m [1;34m[WARNING #823] NO CHARGE RECORD FOUND FOR " O HOH B 305" (CHARGE IS SET = 0) [0m [1;34m[WARNING #824] NO RADIUS RECORD FOUND FOR " O HOH B 306" [0m [1;34m[WARNING #825] RADIUS OF HEAVEY ATOM IN " O HOH B 306" IS SET TO ZERO [0m [1;34m[WARNING #826] NO CHARGE RECORD FOUND FOR " O HOH B 306" (CHARGE IS SET = 0) [0m [1;34m[WARNING #827] NO RADIUS RECORD FOUND FOR " O HOH B 307" [0m [1;34m[WARNING #828] RADIUS OF HEAVEY ATOM IN " O HOH B 307" IS SET TO ZERO [0m [1;34m[WARNING #829] NO CHARGE RECORD FOUND FOR " O HOH B 307" (CHARGE IS SET = 0) [0m [1;34m[WARNING #830] NO RADIUS RECORD FOUND FOR " O HOH B 308" [0m [1;34m[WARNING #831] RADIUS OF HEAVEY ATOM IN " O HOH B 308" IS SET TO ZERO [0m [1;34m[WARNING #832] NO CHARGE RECORD FOUND FOR " O HOH B 308" (CHARGE IS SET = 0) [0m [1;34m[WARNING #833] NO RADIUS RECORD FOUND FOR " O HOH B 309" [0m [1;34m[WARNING #834] RADIUS OF HEAVEY ATOM IN " O HOH B 309" IS SET TO ZERO [0m [1;34m[WARNING #835] NO CHARGE RECORD FOUND FOR " O HOH B 309" (CHARGE IS SET = 0) [0m [1;34m[WARNING #836] NO RADIUS RECORD FOUND FOR " O HOH B 310" [0m [1;34m[WARNING #837] RADIUS OF HEAVEY ATOM IN " O HOH B 310" IS SET TO ZERO [0m [1;34m[WARNING #838] NO CHARGE RECORD FOUND FOR " O HOH B 310" (CHARGE IS SET = 0) [0m [1;34m[WARNING #839] NO RADIUS RECORD FOUND FOR " O HOH B 311" [0m [1;34m[WARNING #840] RADIUS OF HEAVEY ATOM IN " O HOH B 311" IS SET TO ZERO [0m [1;34m[WARNING #841] NO CHARGE RECORD FOUND FOR " O HOH B 311" (CHARGE IS SET = 0) [0m [1;34m[WARNING #842] NO RADIUS RECORD FOUND FOR " O HOH B 312" [0m [1;34m[WARNING #843] RADIUS OF HEAVEY ATOM IN " O HOH B 312" IS SET TO ZERO [0m [1;34m[WARNING #844] NO CHARGE RECORD FOUND FOR " O HOH B 312" (CHARGE IS SET = 0) [0m [1;34m[WARNING #845] NO RADIUS RECORD FOUND FOR " O HOH B 313" [0m [1;34m[WARNING #846] RADIUS OF HEAVEY ATOM IN " O HOH B 313" IS SET TO ZERO [0m [1;34m[WARNING #847] NO CHARGE RECORD FOUND FOR " O HOH B 313" (CHARGE IS SET = 0) [0m [1;34m[WARNING #848] NO RADIUS RECORD FOUND FOR " O HOH B 314" [0m [1;34m[WARNING #849] RADIUS OF HEAVEY ATOM IN " O HOH B 314" IS SET TO ZERO [0m [1;34m[WARNING #850] NO CHARGE RECORD FOUND FOR " O HOH B 314" (CHARGE IS SET = 0) [0m [1;34m[WARNING #851] NO RADIUS RECORD FOUND FOR " O HOH B 315" [0m [1;34m[WARNING #852] RADIUS OF HEAVEY ATOM IN " O HOH B 315" IS SET TO ZERO [0m [1;34m[WARNING #853] NO CHARGE RECORD FOUND FOR " O HOH B 315" (CHARGE IS SET = 0) [0m [1;34m[WARNING #854] NO RADIUS RECORD FOUND FOR " O HOH B 316" [0m [1;34m[WARNING #855] RADIUS OF HEAVEY ATOM IN " O HOH B 316" IS SET TO ZERO [0m [1;34m[WARNING #856] NO CHARGE RECORD FOUND FOR " O HOH B 316" (CHARGE IS SET = 0) [0m [1;34m[WARNING #857] NO RADIUS RECORD FOUND FOR " O HOH B 317" [0m [1;34m[WARNING #858] RADIUS OF HEAVEY ATOM IN " O HOH B 317" IS SET TO ZERO [0m [1;34m[WARNING #859] NO CHARGE RECORD FOUND FOR " O HOH B 317" (CHARGE IS SET = 0) [0m [1;34m[WARNING #860] NO RADIUS RECORD FOUND FOR " O HOH B 318" [0m [1;34m[WARNING #861] RADIUS OF HEAVEY ATOM IN " O HOH B 318" IS SET TO ZERO [0m [1;34m[WARNING #862] NO CHARGE RECORD FOUND FOR " O HOH B 318" (CHARGE IS SET = 0) [0m [1;34m[WARNING #863] NO RADIUS RECORD FOUND FOR " O HOH B 319" [0m [1;34m[WARNING #864] RADIUS OF HEAVEY ATOM IN " O HOH B 319" IS SET TO ZERO [0m [1;34m[WARNING #865] NO CHARGE RECORD FOUND FOR " O HOH B 319" (CHARGE IS SET = 0) [0m [1;34m[WARNING #866] NO RADIUS RECORD FOUND FOR " O HOH B 320" [0m [1;34m[WARNING #867] RADIUS OF HEAVEY ATOM IN " O HOH B 320" IS SET TO ZERO [0m [1;34m[WARNING #868] NO CHARGE RECORD FOUND FOR " O HOH B 320" (CHARGE IS SET = 0) [0m [1;34m[WARNING #869] NO RADIUS RECORD FOUND FOR " O HOH B 321" [0m [1;34m[WARNING #870] RADIUS OF HEAVEY ATOM IN " O HOH B 321" IS SET TO ZERO [0m [1;34m[WARNING #871] NO CHARGE RECORD FOUND FOR " O HOH B 321" (CHARGE IS SET = 0) [0m [1;34m[WARNING #872] NO RADIUS RECORD FOUND FOR " O HOH B 322" [0m [1;34m[WARNING #873] RADIUS OF HEAVEY ATOM IN " O HOH B 322" IS SET TO ZERO [0m [1;34m[WARNING #874] NO CHARGE RECORD FOUND FOR " O HOH B 322" (CHARGE IS SET = 0) [0m [1;34m[WARNING #875] NO RADIUS RECORD FOUND FOR " O HOH B 323" [0m [1;34m[WARNING #876] RADIUS OF HEAVEY ATOM IN " O HOH B 323" IS SET TO ZERO [0m [1;34m[WARNING #877] NO CHARGE RECORD FOUND FOR " O HOH B 323" (CHARGE IS SET = 0) [0m [1;34m[WARNING #878] NO RADIUS RECORD FOUND FOR " O HOH B 324" [0m [1;34m[WARNING #879] RADIUS OF HEAVEY ATOM IN " O HOH B 324" IS SET TO ZERO [0m [1;34m[WARNING #880] NO CHARGE RECORD FOUND FOR " O HOH B 324" (CHARGE IS SET = 0) [0m [1;34m[WARNING #881] NO RADIUS RECORD FOUND FOR " O HOH B 325" [0m [1;34m[WARNING #882] RADIUS OF HEAVEY ATOM IN " O HOH B 325" IS SET TO ZERO [0m [1;34m[WARNING #883] NO CHARGE RECORD FOUND FOR " O HOH B 325" (CHARGE IS SET = 0) [0m [1;34m[WARNING #884] NO RADIUS RECORD FOUND FOR " O HOH B 326" [0m [1;34m[WARNING #885] RADIUS OF HEAVEY ATOM IN " O HOH B 326" IS SET TO ZERO [0m [1;34m[WARNING #886] NO CHARGE RECORD FOUND FOR " O HOH B 326" (CHARGE IS SET = 0) [0m [1;34m[WARNING #887] NO RADIUS RECORD FOUND FOR " O HOH B 327" [0m [1;34m[WARNING #888] RADIUS OF HEAVEY ATOM IN " O HOH B 327" IS SET TO ZERO [0m [1;34m[WARNING #889] NO CHARGE RECORD FOUND FOR " O HOH B 327" (CHARGE IS SET = 0) [0m [1;34m[WARNING #890] NO RADIUS RECORD FOUND FOR " O HOH B 328" [0m [1;34m[WARNING #891] RADIUS OF HEAVEY ATOM IN " O HOH B 328" IS SET TO ZERO [0m [1;34m[WARNING #892] NO CHARGE RECORD FOUND FOR " O HOH B 328" (CHARGE IS SET = 0) [0m [1;34m[WARNING #893] NO RADIUS RECORD FOUND FOR " O HOH B 329" [0m [1;34m[WARNING #894] RADIUS OF HEAVEY ATOM IN " O HOH B 329" IS SET TO ZERO [0m [1;34m[WARNING #895] NO CHARGE RECORD FOUND FOR " O HOH B 329" (CHARGE IS SET = 0) [0m [1;34m[WARNING #896] NO RADIUS RECORD FOUND FOR " O HOH B 330" [0m [1;34m[WARNING #897] RADIUS OF HEAVEY ATOM IN " O HOH B 330" IS SET TO ZERO [0m [1;34m[WARNING #898] NO CHARGE RECORD FOUND FOR " O HOH B 330" (CHARGE IS SET = 0) [0m [1;34m[WARNING #899] "ALA 1" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #900] "ASP 2" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #901] "GLY 3" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #902] "LYS 4" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #903] "ILE 5" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #904] "LEU 6" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #905] "HIS 7" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #906] "ASN 8" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #907] "GLN 9" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #908] "ASN 10" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #909] "VAL 11" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #910] "ASN 12" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #911] "SER 13" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #912] "TRP 14" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #913] "GLY 15" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #914] "PRO 16" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #915] "ILE 17" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #916] "THR 18" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #917] "VAL 19" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #918] "THR 20" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #919] "PRO 21" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #920] "THR 22" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #921] "THR 23" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #922] "ASP 24" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #923] "GLY 25" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #924] "GLY 26" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #925] "GLU 27" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #926] "THR 28" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #927] "ARG 29" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #928] "PHE 30" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #929] "ASP 31" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #930] "GLY 32" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #931] "GLN 33" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #932] "ILE 34" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #933] "ILE 35" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #934] "VAL 36" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #935] "GLN 37" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #936] "MET 38" HAS A NET CHARGE OF -0.7013 [0m [1;34m[WARNING #937] "GLU 39" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #938] "ASN 40" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #939] "ASP 41" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #940] "PRO 42" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #941] "VAL 43" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #942] "VAL 44" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #943] "ALA 45" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #944] "LYS 46" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #945] "ALA 47" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #946] "ALA 48" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #947] "ALA 49" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #948] "ASN 50" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #949] "LEU 51" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #950] "ALA 52" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #951] "GLY 53" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #952] "LYS 54" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #953] "HIS 55" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #954] "ALA 56" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #955] "GLU 57" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #956] "SER 58" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #957] "SER 59" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #958] "VAL 60" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #959] "VAL 61" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #960] "VAL 62" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #961] "GLN 63" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #962] "LEU 64" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #963] "ASP 65" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #964] "SER 66" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #965] "ASP 67" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #966] "GLY 68" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #967] "ASN 69" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #968] "TYR 70" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #969] "ARG 71" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #970] "VAL 72" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #971] "VAL 73" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #972] "TYR 74" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #973] "GLY 75" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #974] "ASP 76" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #975] "PRO 77" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #976] "SER 78" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #977] "LYS 79" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #978] "LEU 80" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #979] "ASP 81" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #980] "GLY 82" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #981] "LYS 83" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #982] "LEU 84" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #983] "ARG 85" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #984] "TRP 86" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #985] "GLN 87" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #986] "LEU 88" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #987] "VAL 89" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #988] "GLY 90" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #989] "HIS 91" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #990] "GLY 92" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #991] "ARG 93" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #992] "ASP 94" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #993] "HIS 95" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #994] "SER 96" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #995] "GLU 97" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #996] "THR 98" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #997] "ASN 99" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #998] "ASN 100" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #999] "THR 101" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1000] "ARG 102" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1001] "LEU 103" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1002] "SER 104" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1003] "GLY 105" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1004] "TYR 106" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #1005] "SER 107" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1006] "ALA 108" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1007] "ASP 109" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1008] "GLU 110" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1009] "LEU 111" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1010] "ALA 112" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1011] "VAL 113" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1012] "LYS 114" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1013] "LEU 115" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1014] "ALA 116" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1015] "LYS 117" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1016] "PHE 118" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1017] "GLN 119" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1018] "GLN 120" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1019] "SER 121" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1020] "PHE 122" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1021] "ASN 123" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1022] "GLN 124" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1023] "ALA 125" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1024] "GLU 126" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1025] "ASN 127" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1026] "ILE 128" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1027] "ASN 129" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1028] "ASN 130" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1029] "LYS 131" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1030] "PRO 132" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1031] "ASP 133" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1032] "HIS 134" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1033] "ILE 135" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1034] "SER 136" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1035] "ILE 137" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1036] "VAL 138" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1037] "GLY 139" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1038] "CYS 140" HAS A NET CHARGE OF -0.8 [0m [1;34m[WARNING #1039] "SER 141" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1040] "LEU 142" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1041] "VAL 143" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1042] "SER 144" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1043] "ASP 145" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1044] "ASP 146" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1045] "LYS 147" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1046] "GLN 148" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1047] "LYS 149" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1048] "GLY 150" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1049] "PHE 151" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1050] "GLY 152" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1051] "HIS 153" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1052] "GLN 154" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1053] "PHE 155" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1054] "ILE 156" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1055] "ASN 157" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1056] "ALA 158" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1057] "MET 159" HAS A NET CHARGE OF -0.7013 [0m [1;34m[WARNING #1058] "ASP 160" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1059] "ALA 161" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1060] "ASN 162" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1061] "GLY 163" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1062] "LEU 164" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1063] "ARG 165" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1064] "VAL 166" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1065] "ASP 167" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1066] "VAL 168" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1067] "SER 169" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1068] "VAL 170" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1069] "ARG 171" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1070] "SER 172" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1071] "SER 173" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1072] "GLU 174" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1073] "LEU 175" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1074] "ALA 176" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1075] "VAL 177" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1076] "ASP 178" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1077] "GLU 179" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1078] "ALA 180" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1079] "GLY 181" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1080] "ARG 182" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1081] "LYS 183" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1082] "HIS 184" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1083] "THR 185" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1084] "LYS 186" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1085] "ASP 187" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1086] "ALA 188" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1087] "ASN 189" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1088] "GLY 190" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1089] "ASP 191" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1090] "TRP 192" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1091] "VAL 193" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1092] "GLN 194" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1093] "LYS 195" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1094] "ALA 196" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1095] "GLU 197" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1096] "ASN 198" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1097] "ASN 199" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1098] "LYS 200" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1099] "VAL 201" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1100] "SER 202" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1101] "LEU 203" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1102] "SER 204" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1103] "TRP 205" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1104] "ILE 5" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1105] "LEU 6" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1106] "HIS 7" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1107] "ASN 8" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1108] "GLN 9" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1109] "ASN 10" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1110] "VAL 11" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1111] "ASN 12" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1112] "SER 13" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1113] "TRP 14" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1114] "GLY 15" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1115] "PRO 16" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1116] "ILE 17" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1117] "THR 18" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1118] "VAL 19" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1119] "THR 20" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1120] "PRO 21" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1121] "THR 22" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1122] "THR 23" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1123] "ASP 24" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1124] "GLY 25" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1125] "GLY 26" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1126] "GLU 27" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1127] "THR 28" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1128] "ARG 29" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1129] "PHE 30" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1130] "ASP 31" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1131] "GLY 32" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1132] "GLN 33" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1133] "ILE 34" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1134] "ILE 35" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1135] "VAL 36" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1136] "GLN 37" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1137] "MET 38" HAS A NET CHARGE OF -0.7013 [0m [1;34m[WARNING #1138] "GLU 39" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1139] "ASN 40" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1140] "ASP 41" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1141] "PRO 42" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1142] "VAL 43" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1143] "VAL 44" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1144] "ALA 45" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1145] "LYS 46" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1146] "ALA 47" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1147] "ALA 48" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1148] "ALA 49" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1149] "ASN 50" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1150] "LEU 51" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1151] "ALA 52" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1152] "GLY 53" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1153] "LYS 54" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1154] "HIS 55" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1155] "ALA 56" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1156] "GLU 57" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1157] "SER 58" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1158] "SER 59" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1159] "VAL 60" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1160] "VAL 61" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1161] "VAL 62" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1162] "GLN 63" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1163] "LEU 64" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1164] "ASP 65" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1165] "SER 66" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1166] "ASP 67" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1167] "GLY 68" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1168] "ASN 69" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1169] "TYR 70" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #1170] "ARG 71" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1171] "VAL 72" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1172] "VAL 73" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1173] "TYR 74" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #1174] "GLY 75" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1175] "ASP 76" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1176] "PRO 77" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1177] "SER 78" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1178] "LYS 79" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1179] "LEU 80" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1180] "ASP 81" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1181] "GLY 82" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1182] "LYS 83" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1183] "LEU 84" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1184] "ARG 85" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1185] "TRP 86" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1186] "GLN 87" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1187] "LEU 88" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1188] "VAL 89" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1189] "GLY 90" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1190] "HIS 91" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1191] "GLY 92" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1192] "ARG 93" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1193] "ASP 94" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1194] "HIS 95" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1195] "SER 96" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1196] "GLU 97" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1197] "THR 98" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1198] "ASN 99" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1199] "ASN 100" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1200] "THR 101" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1201] "ARG 102" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1202] "LEU 103" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1203] "SER 104" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1204] "GLY 105" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1205] "TYR 106" HAS A NET CHARGE OF -1.4887 [0m [1;34m[WARNING #1206] "SER 107" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1207] "ALA 108" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1208] "ASP 109" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1209] "GLU 110" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1210] "LEU 111" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1211] "ALA 112" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1212] "VAL 113" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1213] "LYS 114" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1214] "LEU 115" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1215] "ALA 116" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1216] "LYS 117" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1217] "PHE 118" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1218] "GLN 119" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1219] "GLN 120" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1220] "SER 121" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1221] "PHE 122" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1222] "ASN 123" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1223] "GLN 124" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1224] "ALA 125" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1225] "GLU 126" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1226] "ASN 127" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1227] "ILE 128" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1228] "ASN 129" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1229] "ASN 130" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1230] "LYS 131" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1231] "PRO 132" HAS A NET CHARGE OF -0.2355 [0m [1;34m[WARNING #1232] "ASP 133" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1233] "HIS 134" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1234] "ILE 135" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1235] "SER 136" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1236] "ILE 137" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1237] "VAL 138" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1238] "GLY 139" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1239] "CYS 140" HAS A NET CHARGE OF -0.8 [0m [1;34m[WARNING #1240] "SER 141" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1241] "LEU 142" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1242] "VAL 143" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1243] "SER 144" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1244] "ASP 145" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1245] "ASP 146" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1246] "LYS 147" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1247] "GLN 148" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1248] "LYS 149" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1249] "GLY 150" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1250] "PHE 151" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1251] "GLY 152" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1252] "HIS 153" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1253] "GLN 154" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1254] "PHE 155" HAS A NET CHARGE OF -1.1104 [0m [1;34m[WARNING #1255] "ILE 156" HAS A NET CHARGE OF -0.7451 [0m [1;34m[WARNING #1256] "ASN 157" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1257] "ALA 158" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1258] "MET 159" HAS A NET CHARGE OF -0.7013 [0m [1;34m[WARNING #1259] "ASP 160" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1260] "ALA 161" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1261] "ASN 162" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1262] "GLY 163" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1263] "LEU 164" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1264] "ARG 165" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1265] "VAL 166" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1266] "ASP 167" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1267] "VAL 168" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1268] "SER 169" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1269] "VAL 170" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1270] "ARG 171" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1271] "SER 172" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1272] "SER 173" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1273] "GLU 174" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1274] "LEU 175" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1275] "ALA 176" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1276] "VAL 177" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1277] "ASP 178" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1278] "GLU 179" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1279] "ALA 180" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1280] "GLY 181" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1281] "ARG 182" HAS A NET CHARGE OF -1.8273 [0m [1;34m[WARNING #1282] "LYS 183" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1283] "HIS 184" HAS A NET CHARGE OF -1.0592 [0m [1;34m[WARNING #1284] "THR 185" HAS A NET CHARGE OF -0.9797 [0m [1;34m[WARNING #1285] "LYS 186" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1286] "ASP 187" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1287] "ALA 188" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1288] "ASN 189" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1289] "GLY 190" HAS A NET CHARGE OF -0.4115 [0m [1;34m[WARNING #1290] "ASP 191" HAS A NET CHARGE OF -1.3572 [0m [1;34m[WARNING #1291] "TRP 192" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1292] "VAL 193" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1293] "GLN 194" HAS A NET CHARGE OF -1.3117 [0m [1;34m[WARNING #1294] "LYS 195" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1295] "ALA 196" HAS A NET CHARGE OF -0.5351 [0m [1;34m[WARNING #1296] "GLU 197" HAS A NET CHARGE OF -1.2845 [0m [1;34m[WARNING #1297] "ASN 198" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1298] "ASN 199" HAS A NET CHARGE OF -1.3753 [0m [1;34m[WARNING #1299] "LYS 200" HAS A NET CHARGE OF -0.8815 [0m [1;34m[WARNING #1300] "VAL 201" HAS A NET CHARGE OF -0.8137 [0m [1;34m[WARNING #1301] "SER 202" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1302] "LEU 203" HAS A NET CHARGE OF -1.0194 [0m [1;34m[WARNING #1303] "SER 204" HAS A NET CHARGE OF -0.8541 [0m [1;34m[WARNING #1304] "TRP 205" HAS A NET CHARGE OF -1.613 [0m [1;34m[WARNING #1305] Run probably DIVERGED! Final rms-change is 7.85362e-005 greater than 0 Try increasing the scale or lower the maxc value or both [0m --- End DelPhi Output --- Error reading file default.phi, format delphi Record size 1852798752 > file size 27543749