USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 THR OG1 : rot 3:sc= 1.1 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 155:sc= 1.21 (180deg=1.02) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 150:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.5) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.0666 (180deg=-0.331) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0376 (180deg=-0.273) USER MOD Single : A 40 LYS NZ :NH3+ -161:sc= -0.0958 (180deg=-0.484) USER MOD Single : A 41 MET CE :methyl -174:sc= -0.599 (180deg=-0.856) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= -0.0976 (180deg=-0.475) USER MOD Single : A 46 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.0286 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 2.36 (180deg=2.08) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.19) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.0817 (180deg=-0.439) USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.09) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= -0.68 (180deg=-2.77!) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.0653 (180deg=-0.41) USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.18) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= -0.0307 (180deg=-0.192) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc=-0.00573 (180deg=-0.139) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0212 F(o=-2.3!,f=-0.021) USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.113 (180deg=-0.486) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 115 LYS NZ :NH3+ 172:sc= 0.118 (180deg=0.0145) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -82:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -8.607 -12.951 4.242 1.00 0.86 N ATOM 2 CA MET A 21 -8.148 -11.595 3.856 1.00 0.65 C ATOM 3 C MET A 21 -7.059 -11.680 2.798 1.00 0.55 C ATOM 4 O MET A 21 -6.440 -12.727 2.622 1.00 0.75 O ATOM 5 CB MET A 21 -7.639 -10.824 5.088 1.00 0.73 C ATOM 6 CG MET A 21 -6.524 -11.516 5.864 1.00 1.04 C ATOM 7 SD MET A 21 -4.915 -11.408 5.056 1.00 1.93 S ATOM 8 CE MET A 21 -3.900 -12.327 6.210 1.00 2.17 C ATOM 0 HA MET A 21 -8.996 -11.054 3.436 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.283 -9.846 4.765 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.478 -10.651 5.762 1.00 0.73 H new ATOM 0 HG2 MET A 21 -6.454 -11.073 6.857 1.00 1.04 H new ATOM 0 HG3 MET A 21 -6.784 -12.566 6.001 1.00 1.04 H new ATOM 0 HE1 MET A 21 -2.871 -12.351 5.851 1.00 2.17 H new ATOM 0 HE2 MET A 21 -3.932 -11.844 7.187 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.278 -13.346 6.296 1.00 2.17 H new ATOM 17 N THR A 22 -6.860 -10.592 2.069 1.00 0.43 N ATOM 18 CA THR A 22 -5.747 -10.487 1.135 1.00 0.41 C ATOM 19 C THR A 22 -4.940 -9.232 1.457 1.00 0.35 C ATOM 20 O THR A 22 -5.501 -8.237 1.923 1.00 0.38 O ATOM 21 CB THR A 22 -6.244 -10.442 -0.326 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.073 -11.580 -0.591 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.081 -10.435 -1.310 1.00 0.63 C ATOM 0 H THR A 22 -7.457 -9.766 2.106 1.00 0.43 H new ATOM 0 HA THR A 22 -5.116 -11.369 1.242 1.00 0.41 H new ATOM 0 HB THR A 22 -6.813 -9.522 -0.456 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.388 -11.547 -1.519 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.467 -10.403 -2.329 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.458 -9.559 -1.130 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.485 -11.338 -1.176 1.00 0.63 H new ATOM 31 N LEU A 23 -3.631 -9.284 1.242 1.00 0.32 N ATOM 32 CA LEU A 23 -2.765 -8.171 1.584 1.00 0.29 C ATOM 33 C LEU A 23 -2.231 -7.486 0.330 1.00 0.26 C ATOM 34 O LEU A 23 -1.482 -8.077 -0.452 1.00 0.30 O ATOM 35 CB LEU A 23 -1.612 -8.659 2.458 1.00 0.30 C ATOM 36 CG LEU A 23 -2.027 -9.333 3.769 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.804 -9.787 4.550 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.877 -8.393 4.609 1.00 0.39 C ATOM 0 H LEU A 23 -3.150 -10.085 0.833 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.349 -7.439 2.141 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.012 -9.362 1.881 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.970 -7.810 2.692 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.624 -10.212 3.526 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.121 -10.263 5.478 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.235 -10.499 3.953 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.178 -8.925 4.780 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.162 -8.890 5.536 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.305 -7.494 4.840 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.774 -8.120 4.054 1.00 0.39 H new ATOM 50 N PHE A 24 -2.630 -6.239 0.145 1.00 0.25 N ATOM 51 CA PHE A 24 -2.197 -5.456 -1.004 1.00 0.25 C ATOM 52 C PHE A 24 -1.273 -4.340 -0.545 1.00 0.26 C ATOM 53 O PHE A 24 -1.307 -3.941 0.620 1.00 0.30 O ATOM 54 CB PHE A 24 -3.399 -4.845 -1.730 1.00 0.28 C ATOM 55 CG PHE A 24 -4.454 -5.838 -2.124 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.448 -6.411 -3.384 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.458 -6.189 -1.237 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.422 -7.315 -3.751 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.434 -7.093 -1.598 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.417 -7.658 -2.857 1.00 0.51 C ATOM 0 H PHE A 24 -3.257 -5.743 0.779 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.669 -6.118 -1.690 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.850 -4.089 -1.088 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.046 -4.333 -2.625 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.672 -6.147 -4.087 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.476 -5.749 -0.251 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -5.407 -7.755 -4.737 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -7.211 -7.359 -0.897 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.180 -8.367 -3.142 1.00 0.51 H new ATOM 70 N VAL A 25 -0.454 -3.833 -1.450 1.00 0.29 N ATOM 71 CA VAL A 25 0.415 -2.719 -1.127 1.00 0.31 C ATOM 72 C VAL A 25 0.653 -1.826 -2.346 1.00 0.30 C ATOM 73 O VAL A 25 1.139 -2.273 -3.387 1.00 0.35 O ATOM 74 CB VAL A 25 1.757 -3.196 -0.507 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.397 -4.292 -1.343 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.720 -2.031 -0.321 1.00 0.98 C ATOM 0 H VAL A 25 -0.374 -4.174 -2.408 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.096 -2.121 -0.372 1.00 0.31 H new ATOM 0 HB VAL A 25 1.532 -3.613 0.475 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.334 -4.602 -0.880 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.722 -5.145 -1.403 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.595 -3.915 -2.347 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.651 -2.394 0.115 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.927 -1.572 -1.288 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.273 -1.292 0.343 1.00 0.98 H new ATOM 86 N LEU A 26 0.264 -0.564 -2.208 1.00 0.34 N ATOM 87 CA LEU A 26 0.486 0.440 -3.238 1.00 0.35 C ATOM 88 C LEU A 26 1.651 1.322 -2.823 1.00 0.34 C ATOM 89 O LEU A 26 2.041 1.329 -1.655 1.00 0.36 O ATOM 90 CB LEU A 26 -0.759 1.316 -3.467 1.00 0.40 C ATOM 91 CG LEU A 26 -1.993 0.623 -4.063 1.00 0.44 C ATOM 92 CD1 LEU A 26 -1.597 -0.318 -5.185 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.783 -0.113 -2.996 1.00 1.09 C ATOM 0 H LEU A 26 -0.214 -0.210 -1.379 1.00 0.34 H new ATOM 0 HA LEU A 26 0.704 -0.077 -4.173 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.045 1.756 -2.512 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.480 2.138 -4.126 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.637 1.397 -4.479 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.489 -0.796 -5.590 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.097 0.245 -5.973 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -0.920 -1.080 -4.799 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.650 -0.592 -3.451 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.151 -0.870 -2.533 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.117 0.595 -2.237 1.00 1.09 H new ATOM 105 N ILE A 27 2.208 2.063 -3.765 1.00 0.34 N ATOM 106 CA ILE A 27 3.356 2.908 -3.477 1.00 0.32 C ATOM 107 C ILE A 27 3.381 4.146 -4.372 1.00 0.30 C ATOM 108 O ILE A 27 3.308 4.032 -5.598 1.00 0.36 O ATOM 109 CB ILE A 27 4.676 2.110 -3.637 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.896 3.030 -3.503 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.700 1.372 -4.968 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.221 2.299 -3.549 1.00 0.55 C ATOM 0 H ILE A 27 1.886 2.098 -4.732 1.00 0.34 H new ATOM 0 HA ILE A 27 3.265 3.241 -2.443 1.00 0.32 H new ATOM 0 HB ILE A 27 4.723 1.372 -2.836 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.872 3.769 -4.304 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.826 3.576 -2.562 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.634 0.819 -5.060 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.861 0.678 -5.014 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.622 2.091 -5.784 1.00 0.35 H new ATOM 0 HD11 ILE A 27 8.036 3.016 -3.448 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.268 1.579 -2.732 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.315 1.775 -4.500 1.00 0.55 H new ATOM 124 N LEU A 28 3.462 5.332 -3.763 1.00 0.30 N ATOM 125 CA LEU A 28 3.659 6.552 -4.538 1.00 0.36 C ATOM 126 C LEU A 28 5.028 7.131 -4.232 1.00 0.38 C ATOM 127 O LEU A 28 5.168 8.054 -3.427 1.00 0.41 O ATOM 128 CB LEU A 28 2.601 7.615 -4.209 1.00 0.46 C ATOM 129 CG LEU A 28 1.166 7.322 -4.649 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.555 6.205 -3.827 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.320 8.580 -4.536 1.00 1.18 C ATOM 0 H LEU A 28 3.395 5.469 -2.755 1.00 0.30 H new ATOM 0 HA LEU A 28 3.572 6.288 -5.592 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.600 7.770 -3.130 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.911 8.555 -4.666 1.00 0.46 H new ATOM 0 HG LEU A 28 1.191 6.998 -5.689 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.465 6.021 -4.164 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.147 5.298 -3.949 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.543 6.492 -2.775 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.700 8.362 -4.851 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.314 8.923 -3.501 1.00 1.18 H new ATOM 0 HD23 LEU A 28 0.738 9.358 -5.174 1.00 1.18 H new ATOM 143 N SER A 29 6.032 6.567 -4.868 1.00 0.44 N ATOM 144 CA SER A 29 7.375 7.103 -4.833 1.00 0.56 C ATOM 145 C SER A 29 8.066 6.738 -6.131 1.00 0.68 C ATOM 146 O SER A 29 8.252 5.551 -6.396 1.00 1.05 O ATOM 147 CB SER A 29 8.148 6.542 -3.633 1.00 0.61 C ATOM 148 OG SER A 29 9.404 7.184 -3.483 1.00 1.27 O ATOM 0 H SER A 29 5.939 5.719 -5.427 1.00 0.44 H new ATOM 0 HA SER A 29 7.340 8.187 -4.724 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.559 6.673 -2.725 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.298 5.470 -3.763 1.00 0.61 H new ATOM 0 HG SER A 29 9.655 7.195 -2.536 1.00 1.27 H new ATOM 154 N ASN A 30 8.440 7.694 -6.966 1.00 0.60 N ATOM 155 CA ASN A 30 9.151 7.297 -8.167 1.00 0.67 C ATOM 156 C ASN A 30 10.646 7.216 -7.887 1.00 0.64 C ATOM 157 O ASN A 30 11.401 8.173 -8.062 1.00 0.68 O ATOM 158 CB ASN A 30 8.843 8.246 -9.339 1.00 0.79 C ATOM 159 CG ASN A 30 8.937 9.718 -8.972 1.00 1.85 C ATOM 160 OD1 ASN A 30 7.976 10.303 -8.479 1.00 2.75 O ATOM 161 ND2 ASN A 30 10.080 10.332 -9.232 1.00 2.45 N ATOM 0 H ASN A 30 8.276 8.694 -6.847 1.00 0.60 H new ATOM 0 HA ASN A 30 8.806 6.306 -8.463 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.536 8.039 -10.155 1.00 0.79 H new ATOM 0 HB3 ASN A 30 7.840 8.036 -9.711 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.185 11.325 -9.022 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.856 9.813 -9.642 1.00 2.45 H new ATOM 168 N ASP A 31 11.042 6.045 -7.411 1.00 0.63 N ATOM 169 CA ASP A 31 12.433 5.634 -7.336 1.00 0.67 C ATOM 170 C ASP A 31 12.598 4.362 -8.156 1.00 0.72 C ATOM 171 O ASP A 31 11.608 3.720 -8.491 1.00 0.81 O ATOM 172 CB ASP A 31 12.866 5.415 -5.885 1.00 0.72 C ATOM 173 CG ASP A 31 14.367 5.240 -5.749 1.00 0.92 C ATOM 174 OD1 ASP A 31 14.822 4.104 -5.512 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.102 6.239 -5.884 1.00 1.57 O ATOM 0 H ASP A 31 10.392 5.342 -7.060 1.00 0.63 H new ATOM 0 HA ASP A 31 13.072 6.419 -7.740 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.546 6.264 -5.281 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.363 4.534 -5.488 1.00 0.72 H new ATOM 180 N LYS A 32 13.813 3.988 -8.498 1.00 0.78 N ATOM 181 CA LYS A 32 14.020 2.708 -9.155 1.00 0.82 C ATOM 182 C LYS A 32 14.296 1.597 -8.141 1.00 0.79 C ATOM 183 O LYS A 32 13.773 0.489 -8.262 1.00 0.81 O ATOM 184 CB LYS A 32 15.147 2.790 -10.172 1.00 0.99 C ATOM 185 CG LYS A 32 14.842 3.735 -11.318 1.00 1.10 C ATOM 186 CD LYS A 32 15.600 3.337 -12.566 1.00 1.61 C ATOM 187 CE LYS A 32 15.266 4.246 -13.737 1.00 2.22 C ATOM 188 NZ LYS A 32 13.816 4.218 -14.070 1.00 2.93 N ATOM 0 H LYS A 32 14.658 4.536 -8.338 1.00 0.78 H new ATOM 0 HA LYS A 32 13.098 2.462 -9.682 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.058 3.117 -9.671 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.342 1.795 -10.571 1.00 0.99 H new ATOM 0 HG2 LYS A 32 13.771 3.731 -11.522 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.109 4.753 -11.035 1.00 1.10 H new ATOM 0 HD2 LYS A 32 16.671 3.375 -12.369 1.00 1.61 H new ATOM 0 HD3 LYS A 32 15.360 2.306 -12.825 1.00 1.61 H new ATOM 0 HE2 LYS A 32 15.563 5.267 -13.499 1.00 2.22 H new ATOM 0 HE3 LYS A 32 15.844 3.941 -14.609 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 13.669 4.622 -15.017 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 13.476 3.235 -14.056 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 13.288 4.777 -13.370 1.00 2.93 H new ATOM 202 N LYS A 33 15.088 1.908 -7.122 1.00 0.84 N ATOM 203 CA LYS A 33 15.522 0.902 -6.156 1.00 0.86 C ATOM 204 C LYS A 33 14.480 0.702 -5.061 1.00 0.74 C ATOM 205 O LYS A 33 14.258 -0.420 -4.607 1.00 0.70 O ATOM 206 CB LYS A 33 16.865 1.286 -5.520 1.00 1.02 C ATOM 207 CG LYS A 33 18.069 1.136 -6.441 1.00 1.56 C ATOM 208 CD LYS A 33 18.116 2.211 -7.517 1.00 2.24 C ATOM 209 CE LYS A 33 19.360 2.076 -8.384 1.00 2.94 C ATOM 210 NZ LYS A 33 20.609 2.251 -7.597 1.00 3.44 N ATOM 0 H LYS A 33 15.443 2.847 -6.942 1.00 0.84 H new ATOM 0 HA LYS A 33 15.644 -0.034 -6.702 1.00 0.86 H new ATOM 0 HB2 LYS A 33 16.809 2.321 -5.182 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.022 0.670 -4.635 1.00 1.02 H new ATOM 0 HG2 LYS A 33 18.983 1.179 -5.849 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.041 0.154 -6.914 1.00 1.56 H new ATOM 0 HD2 LYS A 33 17.226 2.141 -8.142 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.101 3.196 -7.050 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.366 1.095 -8.860 1.00 2.94 H new ATOM 0 HE3 LYS A 33 19.328 2.817 -9.182 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 21.408 2.406 -8.244 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.510 3.072 -6.967 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.784 1.398 -7.029 1.00 3.44 H new ATOM 224 N LEU A 34 13.846 1.792 -4.645 1.00 0.72 N ATOM 225 CA LEU A 34 12.838 1.747 -3.588 1.00 0.64 C ATOM 226 C LEU A 34 11.709 0.794 -3.981 1.00 0.58 C ATOM 227 O LEU A 34 11.180 0.060 -3.146 1.00 0.62 O ATOM 228 CB LEU A 34 12.298 3.164 -3.328 1.00 0.63 C ATOM 229 CG LEU A 34 11.839 3.466 -1.891 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.606 4.957 -1.716 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.577 2.698 -1.534 1.00 1.46 C ATOM 0 H LEU A 34 14.012 2.724 -5.025 1.00 0.72 H new ATOM 0 HA LEU A 34 13.291 1.375 -2.669 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.074 3.880 -3.597 1.00 0.63 H new ATOM 0 HB3 LEU A 34 11.457 3.338 -3.999 1.00 0.63 H new ATOM 0 HG LEU A 34 12.631 3.143 -1.216 1.00 0.69 H new ATOM 0 HD11 LEU A 34 11.282 5.157 -0.695 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.532 5.496 -1.915 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.837 5.289 -2.413 1.00 1.37 H new ATOM 0 HD21 LEU A 34 10.283 2.936 -0.512 1.00 1.46 H new ATOM 0 HD22 LEU A 34 9.775 2.978 -2.217 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.767 1.628 -1.617 1.00 1.46 H new ATOM 243 N ILE A 35 11.372 0.795 -5.264 1.00 0.54 N ATOM 244 CA ILE A 35 10.346 -0.094 -5.796 1.00 0.52 C ATOM 245 C ILE A 35 10.784 -1.552 -5.678 1.00 0.55 C ATOM 246 O ILE A 35 10.004 -2.413 -5.265 1.00 0.58 O ATOM 247 CB ILE A 35 10.015 0.251 -7.275 1.00 0.56 C ATOM 248 CG1 ILE A 35 8.992 1.392 -7.346 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.497 -0.964 -8.034 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.461 2.683 -6.717 1.00 0.69 C ATOM 0 H ILE A 35 11.798 1.406 -5.961 1.00 0.54 H new ATOM 0 HA ILE A 35 9.442 0.049 -5.204 1.00 0.52 H new ATOM 0 HB ILE A 35 10.942 0.573 -7.750 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.744 1.579 -8.391 1.00 0.57 H new ATOM 0 HG13 ILE A 35 8.074 1.073 -6.853 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.277 -0.683 -9.064 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.254 -1.748 -8.026 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.589 -1.332 -7.556 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.680 3.438 -6.810 1.00 0.69 H new ATOM 0 HD12 ILE A 35 9.680 2.515 -5.663 1.00 0.69 H new ATOM 0 HD13 ILE A 35 10.362 3.029 -7.224 1.00 0.69 H new ATOM 262 N GLU A 36 12.042 -1.817 -6.017 1.00 0.59 N ATOM 263 CA GLU A 36 12.573 -3.170 -5.951 1.00 0.66 C ATOM 264 C GLU A 36 12.609 -3.661 -4.510 1.00 0.62 C ATOM 265 O GLU A 36 12.131 -4.752 -4.213 1.00 0.62 O ATOM 266 CB GLU A 36 13.970 -3.240 -6.568 1.00 0.79 C ATOM 267 CG GLU A 36 14.021 -2.721 -7.993 1.00 0.76 C ATOM 268 CD GLU A 36 15.338 -3.008 -8.678 1.00 1.34 C ATOM 269 OE1 GLU A 36 15.316 -3.373 -9.875 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.399 -2.878 -8.034 1.00 1.87 O ATOM 0 H GLU A 36 12.708 -1.115 -6.338 1.00 0.59 H new ATOM 0 HA GLU A 36 11.912 -3.819 -6.525 1.00 0.66 H new ATOM 0 HB2 GLU A 36 14.661 -2.663 -5.953 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.316 -4.274 -6.552 1.00 0.79 H new ATOM 0 HG2 GLU A 36 13.212 -3.173 -8.568 1.00 0.76 H new ATOM 0 HG3 GLU A 36 13.847 -1.645 -7.989 1.00 0.76 H new ATOM 277 N GLU A 37 13.157 -2.838 -3.621 1.00 0.62 N ATOM 278 CA GLU A 37 13.243 -3.172 -2.200 1.00 0.65 C ATOM 279 C GLU A 37 11.869 -3.515 -1.631 1.00 0.56 C ATOM 280 O GLU A 37 11.724 -4.465 -0.858 1.00 0.57 O ATOM 281 CB GLU A 37 13.845 -2.006 -1.416 1.00 0.73 C ATOM 282 CG GLU A 37 15.319 -1.768 -1.698 1.00 0.85 C ATOM 283 CD GLU A 37 16.193 -2.906 -1.217 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.908 -3.507 -2.044 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.174 -3.203 -0.004 1.00 1.84 O ATOM 0 H GLU A 37 13.551 -1.928 -3.860 1.00 0.62 H new ATOM 0 HA GLU A 37 13.887 -4.046 -2.102 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.289 -1.098 -1.651 1.00 0.73 H new ATOM 0 HB3 GLU A 37 13.715 -2.193 -0.350 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.463 -1.632 -2.770 1.00 0.85 H new ATOM 0 HG3 GLU A 37 15.633 -0.843 -1.214 1.00 0.85 H new ATOM 292 N ALA A 38 10.867 -2.739 -2.023 1.00 0.51 N ATOM 293 CA ALA A 38 9.506 -2.959 -1.561 1.00 0.46 C ATOM 294 C ALA A 38 8.966 -4.293 -2.065 1.00 0.42 C ATOM 295 O ALA A 38 8.437 -5.092 -1.291 1.00 0.43 O ATOM 296 CB ALA A 38 8.604 -1.818 -2.006 1.00 0.50 C ATOM 0 H ALA A 38 10.973 -1.950 -2.661 1.00 0.51 H new ATOM 0 HA ALA A 38 9.519 -2.990 -0.472 1.00 0.46 H new ATOM 0 HB1 ALA A 38 7.589 -1.998 -1.652 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.972 -0.880 -1.591 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.604 -1.758 -3.094 1.00 0.50 H new ATOM 302 N ARG A 39 9.121 -4.547 -3.357 1.00 0.43 N ATOM 303 CA ARG A 39 8.584 -5.761 -3.954 1.00 0.45 C ATOM 304 C ARG A 39 9.377 -6.996 -3.543 1.00 0.45 C ATOM 305 O ARG A 39 8.822 -8.079 -3.455 1.00 0.49 O ATOM 306 CB ARG A 39 8.526 -5.646 -5.476 1.00 0.53 C ATOM 307 CG ARG A 39 8.152 -6.946 -6.179 1.00 0.60 C ATOM 308 CD ARG A 39 7.790 -6.694 -7.632 1.00 0.77 C ATOM 309 NE ARG A 39 7.663 -7.932 -8.396 1.00 1.46 N ATOM 310 CZ ARG A 39 7.107 -8.004 -9.604 1.00 1.90 C ATOM 311 NH1 ARG A 39 6.575 -6.923 -10.160 1.00 1.82 N ATOM 312 NH2 ARG A 39 7.071 -9.159 -10.257 1.00 2.96 N ATOM 0 H ARG A 39 9.611 -3.933 -4.008 1.00 0.43 H new ATOM 0 HA ARG A 39 7.568 -5.879 -3.576 1.00 0.45 H new ATOM 0 HB2 ARG A 39 7.802 -4.877 -5.745 1.00 0.53 H new ATOM 0 HB3 ARG A 39 9.497 -5.312 -5.843 1.00 0.53 H new ATOM 0 HG2 ARG A 39 8.986 -7.646 -6.124 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.310 -7.412 -5.666 1.00 0.60 H new ATOM 0 HD2 ARG A 39 6.851 -6.143 -7.679 1.00 0.77 H new ATOM 0 HD3 ARG A 39 8.553 -6.064 -8.090 1.00 0.77 H new ATOM 0 HE ARG A 39 8.021 -8.792 -7.980 1.00 1.46 H new ATOM 0 HH11 ARG A 39 6.591 -6.033 -9.662 1.00 1.82 H new ATOM 0 HH12 ARG A 39 6.150 -6.982 -11.085 1.00 1.82 H new ATOM 0 HH21 ARG A 39 7.470 -9.997 -9.834 1.00 2.96 H new ATOM 0 HH22 ARG A 39 6.644 -9.209 -11.182 1.00 2.96 H new ATOM 326 N LYS A 40 10.665 -6.846 -3.277 1.00 0.49 N ATOM 327 CA LYS A 40 11.473 -7.980 -2.837 1.00 0.55 C ATOM 328 C LYS A 40 10.990 -8.492 -1.486 1.00 0.49 C ATOM 329 O LYS A 40 11.045 -9.692 -1.206 1.00 0.54 O ATOM 330 CB LYS A 40 12.954 -7.606 -2.777 1.00 0.70 C ATOM 331 CG LYS A 40 13.565 -7.411 -4.153 1.00 0.85 C ATOM 332 CD LYS A 40 15.026 -7.013 -4.076 1.00 1.27 C ATOM 333 CE LYS A 40 15.626 -6.875 -5.465 1.00 1.34 C ATOM 334 NZ LYS A 40 15.489 -8.130 -6.251 1.00 1.88 N ATOM 0 H LYS A 40 11.171 -5.964 -3.356 1.00 0.49 H new ATOM 0 HA LYS A 40 11.358 -8.781 -3.567 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.070 -6.689 -2.199 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.501 -8.387 -2.249 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.471 -8.334 -4.725 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.008 -6.644 -4.691 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.122 -6.069 -3.539 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.581 -7.760 -3.509 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.134 -6.059 -5.994 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.680 -6.611 -5.381 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.167 -8.121 -7.040 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.683 -8.947 -5.637 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 14.522 -8.201 -6.626 1.00 1.88 H new ATOM 348 N MET A 41 10.497 -7.581 -0.660 1.00 0.45 N ATOM 349 CA MET A 41 9.902 -7.955 0.612 1.00 0.46 C ATOM 350 C MET A 41 8.465 -8.408 0.418 1.00 0.41 C ATOM 351 O MET A 41 8.058 -9.439 0.941 1.00 0.46 O ATOM 352 CB MET A 41 9.951 -6.791 1.601 1.00 0.57 C ATOM 353 CG MET A 41 11.315 -6.588 2.227 1.00 0.89 C ATOM 354 SD MET A 41 11.830 -7.998 3.226 1.00 1.10 S ATOM 355 CE MET A 41 13.473 -7.483 3.721 1.00 1.68 C ATOM 0 H MET A 41 10.498 -6.579 -0.849 1.00 0.45 H new ATOM 0 HA MET A 41 10.481 -8.783 1.021 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.656 -5.876 1.088 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.220 -6.964 2.390 1.00 0.57 H new ATOM 0 HG2 MET A 41 12.050 -6.415 1.441 1.00 0.89 H new ATOM 0 HG3 MET A 41 11.297 -5.693 2.849 1.00 0.89 H new ATOM 0 HE1 MET A 41 13.963 -8.296 4.256 1.00 1.68 H new ATOM 0 HE2 MET A 41 14.056 -7.227 2.836 1.00 1.68 H new ATOM 0 HE3 MET A 41 13.401 -6.612 4.372 1.00 1.68 H new ATOM 365 N ALA A 42 7.706 -7.637 -0.349 1.00 0.37 N ATOM 366 CA ALA A 42 6.296 -7.936 -0.586 1.00 0.39 C ATOM 367 C ALA A 42 6.107 -9.249 -1.335 1.00 0.42 C ATOM 368 O ALA A 42 5.189 -10.003 -1.030 1.00 0.49 O ATOM 369 CB ALA A 42 5.634 -6.803 -1.341 1.00 0.43 C ATOM 0 H ALA A 42 8.042 -6.797 -0.820 1.00 0.37 H new ATOM 0 HA ALA A 42 5.820 -8.043 0.389 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.584 -7.042 -1.509 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.708 -5.885 -0.758 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.133 -6.665 -2.300 1.00 0.43 H new ATOM 375 N GLU A 43 6.967 -9.528 -2.313 1.00 0.45 N ATOM 376 CA GLU A 43 6.901 -10.795 -3.031 1.00 0.59 C ATOM 377 C GLU A 43 7.114 -11.949 -2.061 1.00 0.63 C ATOM 378 O GLU A 43 6.408 -12.955 -2.099 1.00 0.75 O ATOM 379 CB GLU A 43 7.934 -10.882 -4.156 1.00 0.71 C ATOM 380 CG GLU A 43 7.405 -10.412 -5.500 1.00 0.87 C ATOM 381 CD GLU A 43 8.274 -10.863 -6.655 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.272 -12.075 -6.966 1.00 2.36 O ATOM 383 OE2 GLU A 43 8.944 -10.011 -7.272 1.00 2.41 O ATOM 0 H GLU A 43 7.709 -8.900 -2.622 1.00 0.45 H new ATOM 0 HA GLU A 43 5.912 -10.857 -3.484 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.804 -10.283 -3.887 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.273 -11.914 -4.248 1.00 0.71 H new ATOM 0 HG2 GLU A 43 6.393 -10.791 -5.641 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.341 -9.324 -5.501 1.00 0.87 H new ATOM 390 N LYS A 44 8.089 -11.772 -1.178 1.00 0.60 N ATOM 391 CA LYS A 44 8.404 -12.760 -0.156 1.00 0.70 C ATOM 392 C LYS A 44 7.259 -12.862 0.851 1.00 0.66 C ATOM 393 O LYS A 44 6.948 -13.944 1.351 1.00 0.75 O ATOM 394 CB LYS A 44 9.722 -12.363 0.533 1.00 0.81 C ATOM 395 CG LYS A 44 10.230 -13.337 1.591 1.00 1.39 C ATOM 396 CD LYS A 44 9.590 -13.091 2.950 1.00 2.35 C ATOM 397 CE LYS A 44 10.237 -13.938 4.033 1.00 3.19 C ATOM 398 NZ LYS A 44 11.681 -13.620 4.199 1.00 3.63 N ATOM 0 H LYS A 44 8.681 -10.942 -1.151 1.00 0.60 H new ATOM 0 HA LYS A 44 8.527 -13.742 -0.613 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.491 -12.250 -0.231 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.589 -11.386 0.998 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.022 -14.358 1.272 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.313 -13.244 1.678 1.00 1.39 H new ATOM 0 HD2 LYS A 44 9.680 -12.036 3.210 1.00 2.35 H new ATOM 0 HD3 LYS A 44 8.525 -13.317 2.898 1.00 2.35 H new ATOM 0 HE2 LYS A 44 9.719 -13.776 4.978 1.00 3.19 H new ATOM 0 HE3 LYS A 44 10.124 -14.993 3.784 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 12.007 -13.961 5.126 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 12.228 -14.086 3.447 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 11.819 -12.591 4.141 1.00 3.63 H new ATOM 412 N ALA A 45 6.625 -11.731 1.126 1.00 0.57 N ATOM 413 CA ALA A 45 5.533 -11.670 2.085 1.00 0.59 C ATOM 414 C ALA A 45 4.207 -12.100 1.460 1.00 0.59 C ATOM 415 O ALA A 45 3.171 -12.101 2.124 1.00 0.66 O ATOM 416 CB ALA A 45 5.425 -10.268 2.667 1.00 0.56 C ATOM 0 H ALA A 45 6.852 -10.836 0.693 1.00 0.57 H new ATOM 0 HA ALA A 45 5.754 -12.371 2.890 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.604 -10.234 3.384 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.357 -10.010 3.170 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.236 -9.555 1.865 1.00 0.56 H new ATOM 422 N ASN A 46 4.259 -12.468 0.177 1.00 0.56 N ATOM 423 CA ASN A 46 3.088 -12.946 -0.565 1.00 0.60 C ATOM 424 C ASN A 46 2.044 -11.838 -0.701 1.00 0.54 C ATOM 425 O ASN A 46 0.835 -12.081 -0.662 1.00 0.63 O ATOM 426 CB ASN A 46 2.489 -14.193 0.110 1.00 0.76 C ATOM 427 CG ASN A 46 1.435 -14.886 -0.736 1.00 1.41 C ATOM 428 OD1 ASN A 46 1.460 -14.815 -1.964 1.00 2.03 O ATOM 429 ND2 ASN A 46 0.507 -15.572 -0.086 1.00 2.18 N ATOM 0 H ASN A 46 5.115 -12.443 -0.378 1.00 0.56 H new ATOM 0 HA ASN A 46 3.409 -13.228 -1.568 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.290 -14.899 0.330 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.047 -13.905 1.064 1.00 0.76 H new ATOM 0 HD21 ASN A 46 -0.220 -16.065 -0.605 1.00 2.18 H new ATOM 0 HD22 ASN A 46 0.519 -15.608 0.933 1.00 2.18 H new ATOM 436 N LEU A 47 2.521 -10.615 -0.872 1.00 0.44 N ATOM 437 CA LEU A 47 1.637 -9.474 -1.044 1.00 0.42 C ATOM 438 C LEU A 47 1.529 -9.119 -2.517 1.00 0.41 C ATOM 439 O LEU A 47 2.295 -9.618 -3.345 1.00 0.58 O ATOM 440 CB LEU A 47 2.155 -8.248 -0.286 1.00 0.43 C ATOM 441 CG LEU A 47 2.687 -8.494 1.125 1.00 0.45 C ATOM 442 CD1 LEU A 47 2.999 -7.172 1.802 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.698 -9.283 1.957 1.00 0.59 C ATOM 0 H LEU A 47 3.515 -10.388 -0.895 1.00 0.44 H new ATOM 0 HA LEU A 47 0.661 -9.752 -0.646 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.950 -7.793 -0.876 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.347 -7.519 -0.224 1.00 0.43 H new ATOM 0 HG LEU A 47 3.602 -9.081 1.042 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.377 -7.358 2.807 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.752 -6.636 1.224 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.092 -6.571 1.862 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.107 -9.441 2.955 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.762 -8.729 2.032 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.512 -10.247 1.484 1.00 0.59 H new ATOM 455 N ILE A 48 0.582 -8.255 -2.840 1.00 0.30 N ATOM 456 CA ILE A 48 0.426 -7.771 -4.201 1.00 0.32 C ATOM 457 C ILE A 48 0.915 -6.328 -4.299 1.00 0.32 C ATOM 458 O ILE A 48 0.225 -5.396 -3.878 1.00 0.33 O ATOM 459 CB ILE A 48 -1.043 -7.868 -4.670 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.553 -9.303 -4.489 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.169 -7.430 -6.125 1.00 0.43 C ATOM 462 CD1 ILE A 48 -2.983 -9.511 -4.942 1.00 0.53 C ATOM 0 H ILE A 48 -0.092 -7.873 -2.176 1.00 0.30 H new ATOM 0 HA ILE A 48 1.027 -8.402 -4.855 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.654 -7.200 -4.062 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.905 -9.981 -5.044 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.473 -9.576 -3.437 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.210 -7.505 -6.439 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -0.833 -6.398 -6.225 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.554 -8.074 -6.753 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.268 -10.551 -4.781 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.644 -8.861 -4.369 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.067 -9.272 -6.002 1.00 0.53 H new ATOM 474 N LEU A 49 2.122 -6.160 -4.829 1.00 0.34 N ATOM 475 CA LEU A 49 2.752 -4.846 -4.934 1.00 0.35 C ATOM 476 C LEU A 49 2.399 -4.197 -6.267 1.00 0.35 C ATOM 477 O LEU A 49 2.724 -4.725 -7.333 1.00 0.44 O ATOM 478 CB LEU A 49 4.282 -4.991 -4.769 1.00 0.44 C ATOM 479 CG LEU A 49 5.118 -3.694 -4.694 1.00 0.58 C ATOM 480 CD1 LEU A 49 5.311 -3.067 -6.067 1.00 0.90 C ATOM 481 CD2 LEU A 49 4.486 -2.689 -3.741 1.00 1.14 C ATOM 0 H LEU A 49 2.689 -6.924 -5.196 1.00 0.34 H new ATOM 0 HA LEU A 49 2.379 -4.199 -4.140 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.469 -5.565 -3.861 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.656 -5.584 -5.604 1.00 0.44 H new ATOM 0 HG LEU A 49 6.100 -3.969 -4.309 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.904 -2.157 -5.971 1.00 0.90 H new ATOM 0 HD12 LEU A 49 5.829 -3.771 -6.719 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.339 -2.823 -6.496 1.00 0.90 H new ATOM 0 HD21 LEU A 49 5.095 -1.786 -3.708 1.00 1.14 H new ATOM 0 HD22 LEU A 49 3.484 -2.438 -4.089 1.00 1.14 H new ATOM 0 HD23 LEU A 49 4.425 -3.123 -2.743 1.00 1.14 H new ATOM 493 N ILE A 50 1.728 -3.058 -6.202 1.00 0.33 N ATOM 494 CA ILE A 50 1.368 -2.319 -7.401 1.00 0.34 C ATOM 495 C ILE A 50 1.959 -0.913 -7.355 1.00 0.32 C ATOM 496 O ILE A 50 1.676 -0.137 -6.439 1.00 0.36 O ATOM 497 CB ILE A 50 -0.166 -2.224 -7.577 1.00 0.41 C ATOM 498 CG1 ILE A 50 -0.792 -3.622 -7.580 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.511 -1.481 -8.863 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.305 -3.614 -7.649 1.00 0.94 C ATOM 0 H ILE A 50 1.422 -2.625 -5.331 1.00 0.33 H new ATOM 0 HA ILE A 50 1.777 -2.864 -8.252 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.576 -1.665 -6.736 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -0.402 -4.183 -8.429 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.481 -4.151 -6.679 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.594 -1.424 -8.971 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.096 -0.474 -8.824 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.089 -2.014 -9.715 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.675 -4.639 -7.647 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.706 -3.082 -6.786 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.625 -3.115 -8.564 1.00 0.94 H new ATOM 512 N THR A 51 2.790 -0.599 -8.335 1.00 0.32 N ATOM 513 CA THR A 51 3.400 0.715 -8.432 1.00 0.35 C ATOM 514 C THR A 51 2.437 1.692 -9.096 1.00 0.38 C ATOM 515 O THR A 51 1.862 1.390 -10.142 1.00 0.55 O ATOM 516 CB THR A 51 4.720 0.649 -9.222 1.00 0.47 C ATOM 517 OG1 THR A 51 4.539 -0.122 -10.420 1.00 1.17 O ATOM 518 CG2 THR A 51 5.823 0.028 -8.382 1.00 0.89 C ATOM 0 H THR A 51 3.059 -1.242 -9.080 1.00 0.32 H new ATOM 0 HA THR A 51 3.623 1.066 -7.424 1.00 0.35 H new ATOM 0 HB THR A 51 5.010 1.667 -9.483 1.00 0.47 H new ATOM 0 HG1 THR A 51 3.702 0.143 -10.856 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.745 -0.008 -8.962 1.00 0.89 H new ATOM 0 HG22 THR A 51 5.980 0.629 -7.486 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.536 -0.983 -8.095 1.00 0.89 H new ATOM 526 N VAL A 52 2.245 2.854 -8.489 1.00 0.39 N ATOM 527 CA VAL A 52 1.243 3.789 -8.971 1.00 0.49 C ATOM 528 C VAL A 52 1.720 5.239 -8.869 1.00 0.58 C ATOM 529 O VAL A 52 2.619 5.563 -8.089 1.00 0.80 O ATOM 530 CB VAL A 52 -0.077 3.614 -8.190 1.00 0.59 C ATOM 531 CG1 VAL A 52 0.050 4.138 -6.767 1.00 1.38 C ATOM 532 CG2 VAL A 52 -1.228 4.283 -8.917 1.00 1.04 C ATOM 0 H VAL A 52 2.765 3.169 -7.670 1.00 0.39 H new ATOM 0 HA VAL A 52 1.072 3.567 -10.024 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.290 2.547 -8.131 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -0.896 4.001 -6.243 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.836 3.591 -6.247 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.301 5.198 -6.791 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -2.147 4.146 -8.347 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -1.022 5.348 -9.022 1.00 1.04 H new ATOM 0 HG23 VAL A 52 -1.343 3.836 -9.905 1.00 1.04 H new ATOM 542 N GLY A 53 1.117 6.089 -9.685 1.00 0.66 N ATOM 543 CA GLY A 53 1.396 7.507 -9.668 1.00 0.75 C ATOM 544 C GLY A 53 0.596 8.254 -8.614 1.00 0.81 C ATOM 545 O GLY A 53 0.057 7.645 -7.690 1.00 1.24 O ATOM 0 H GLY A 53 0.421 5.810 -10.376 1.00 0.66 H new ATOM 0 HA2 GLY A 53 2.460 7.661 -9.486 1.00 0.75 H new ATOM 0 HA3 GLY A 53 1.176 7.927 -10.649 1.00 0.75 H new ATOM 549 N ASP A 54 0.563 9.577 -8.764 1.00 0.71 N ATOM 550 CA ASP A 54 -0.080 10.516 -7.825 1.00 0.82 C ATOM 551 C ASP A 54 -1.468 10.075 -7.332 1.00 0.70 C ATOM 552 O ASP A 54 -2.086 9.179 -7.898 1.00 0.64 O ATOM 553 CB ASP A 54 -0.196 11.893 -8.495 1.00 1.08 C ATOM 554 CG ASP A 54 1.136 12.599 -8.625 1.00 1.34 C ATOM 555 OD1 ASP A 54 1.872 12.320 -9.600 1.00 1.75 O ATOM 556 OD2 ASP A 54 1.443 13.456 -7.769 1.00 1.98 O ATOM 0 H ASP A 54 0.993 10.046 -9.562 1.00 0.71 H new ATOM 0 HA ASP A 54 0.557 10.547 -6.941 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -0.636 11.774 -9.485 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -0.877 12.517 -7.916 1.00 1.08 H new ATOM 561 N GLU A 55 -1.946 10.754 -6.284 1.00 0.80 N ATOM 562 CA GLU A 55 -3.186 10.411 -5.568 1.00 0.79 C ATOM 563 C GLU A 55 -4.334 9.959 -6.481 1.00 0.69 C ATOM 564 O GLU A 55 -5.012 8.973 -6.182 1.00 0.71 O ATOM 565 CB GLU A 55 -3.647 11.618 -4.747 1.00 0.95 C ATOM 566 CG GLU A 55 -2.537 12.243 -3.918 1.00 0.90 C ATOM 567 CD GLU A 55 -3.011 13.426 -3.107 1.00 1.53 C ATOM 568 OE1 GLU A 55 -3.075 13.315 -1.865 1.00 2.16 O ATOM 569 OE2 GLU A 55 -3.320 14.481 -3.705 1.00 2.21 O ATOM 0 H GLU A 55 -1.475 11.573 -5.900 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.944 9.561 -4.931 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -4.056 12.371 -5.420 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.456 11.310 -4.084 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.122 11.491 -3.247 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.730 12.560 -4.579 1.00 0.90 H new ATOM 576 N GLU A 56 -4.567 10.672 -7.575 1.00 0.70 N ATOM 577 CA GLU A 56 -5.662 10.325 -8.480 1.00 0.70 C ATOM 578 C GLU A 56 -5.430 8.963 -9.126 1.00 0.66 C ATOM 579 O GLU A 56 -6.356 8.162 -9.275 1.00 0.67 O ATOM 580 CB GLU A 56 -5.832 11.400 -9.549 1.00 0.82 C ATOM 581 CG GLU A 56 -6.221 12.752 -8.978 1.00 0.93 C ATOM 582 CD GLU A 56 -7.547 12.713 -8.246 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.570 12.299 -7.069 1.00 2.04 O ATOM 584 OE2 GLU A 56 -8.571 13.110 -8.839 1.00 1.89 O ATOM 0 H GLU A 56 -4.021 11.486 -7.858 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.579 10.268 -7.893 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -4.900 11.502 -10.105 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.594 11.080 -10.260 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.443 13.092 -8.295 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -6.277 13.482 -9.786 1.00 0.93 H new ATOM 591 N GLU A 57 -4.193 8.694 -9.497 1.00 0.65 N ATOM 592 CA GLU A 57 -3.834 7.398 -10.040 1.00 0.65 C ATOM 593 C GLU A 57 -3.914 6.348 -8.942 1.00 0.55 C ATOM 594 O GLU A 57 -4.310 5.208 -9.182 1.00 0.52 O ATOM 595 CB GLU A 57 -2.433 7.442 -10.649 1.00 0.73 C ATOM 596 CG GLU A 57 -2.296 8.473 -11.756 1.00 1.11 C ATOM 597 CD GLU A 57 -3.325 8.282 -12.851 1.00 1.52 C ATOM 598 OE1 GLU A 57 -4.449 8.808 -12.718 1.00 2.13 O ATOM 599 OE2 GLU A 57 -3.017 7.598 -13.851 1.00 2.16 O ATOM 0 H GLU A 57 -3.420 9.356 -9.432 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.534 7.134 -10.832 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.709 7.662 -9.864 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -2.184 6.457 -11.045 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -2.400 9.472 -11.333 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.296 8.411 -12.185 1.00 1.11 H new ATOM 606 N LEU A 58 -3.557 6.757 -7.728 1.00 0.52 N ATOM 607 CA LEU A 58 -3.693 5.901 -6.557 1.00 0.48 C ATOM 608 C LEU A 58 -5.144 5.465 -6.379 1.00 0.46 C ATOM 609 O LEU A 58 -5.407 4.329 -5.998 1.00 0.44 O ATOM 610 CB LEU A 58 -3.203 6.626 -5.301 1.00 0.52 C ATOM 611 CG LEU A 58 -3.409 5.874 -3.983 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.709 4.521 -4.007 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.919 6.715 -2.815 1.00 0.74 C ATOM 0 H LEU A 58 -3.170 7.680 -7.531 1.00 0.52 H new ATOM 0 HA LEU A 58 -3.078 5.014 -6.710 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.140 6.837 -5.416 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.714 7.587 -5.235 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.476 5.692 -3.857 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.873 4.010 -3.058 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -3.113 3.917 -4.819 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.640 4.667 -4.161 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -3.071 6.169 -1.884 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.858 6.929 -2.941 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.476 7.651 -2.782 1.00 0.74 H new ATOM 625 N LYS A 59 -6.079 6.369 -6.674 1.00 0.52 N ATOM 626 CA LYS A 59 -7.506 6.049 -6.626 1.00 0.57 C ATOM 627 C LYS A 59 -7.812 4.819 -7.452 1.00 0.51 C ATOM 628 O LYS A 59 -8.651 3.992 -7.092 1.00 0.58 O ATOM 629 CB LYS A 59 -8.346 7.216 -7.139 1.00 0.69 C ATOM 630 CG LYS A 59 -8.490 8.363 -6.159 1.00 0.76 C ATOM 631 CD LYS A 59 -9.344 9.473 -6.749 1.00 0.97 C ATOM 632 CE LYS A 59 -9.861 10.418 -5.681 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.762 11.155 -5.009 1.00 2.26 N ATOM 0 H LYS A 59 -5.873 7.329 -6.949 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.760 5.855 -5.584 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.898 7.594 -8.058 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.339 6.847 -7.396 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.942 8.003 -5.235 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.505 8.753 -5.902 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.758 10.034 -7.477 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -10.186 9.037 -7.286 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -10.552 11.130 -6.131 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -10.425 9.852 -4.939 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -9.129 12.048 -4.622 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.377 10.575 -4.237 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -8.009 11.359 -5.697 1.00 2.26 H new ATOM 647 N LYS A 60 -7.114 4.706 -8.555 1.00 0.49 N ATOM 648 CA LYS A 60 -7.331 3.628 -9.489 1.00 0.48 C ATOM 649 C LYS A 60 -6.586 2.371 -9.057 1.00 0.41 C ATOM 650 O LYS A 60 -7.086 1.265 -9.226 1.00 0.41 O ATOM 651 CB LYS A 60 -6.894 4.099 -10.865 1.00 0.58 C ATOM 652 CG LYS A 60 -7.463 5.469 -11.183 1.00 0.72 C ATOM 653 CD LYS A 60 -6.885 6.035 -12.470 1.00 1.19 C ATOM 654 CE LYS A 60 -7.490 7.389 -12.812 1.00 1.91 C ATOM 655 NZ LYS A 60 -6.981 8.470 -11.930 1.00 2.35 N ATOM 0 H LYS A 60 -6.380 5.358 -8.831 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.388 3.363 -9.517 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.806 4.135 -10.911 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.222 3.383 -11.618 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -8.547 5.401 -11.271 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -7.252 6.151 -10.359 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -5.804 6.134 -12.371 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -7.067 5.338 -13.288 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -7.265 7.634 -13.850 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.575 7.332 -12.725 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -7.637 9.277 -11.955 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -6.905 8.116 -10.955 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -6.044 8.776 -12.261 1.00 2.35 H new ATOM 669 N ALA A 61 -5.406 2.546 -8.469 1.00 0.40 N ATOM 670 CA ALA A 61 -4.637 1.418 -7.953 1.00 0.39 C ATOM 671 C ALA A 61 -5.338 0.812 -6.748 1.00 0.32 C ATOM 672 O ALA A 61 -5.357 -0.404 -6.568 1.00 0.34 O ATOM 673 CB ALA A 61 -3.231 1.853 -7.577 1.00 0.47 C ATOM 0 H ALA A 61 -4.963 3.455 -8.338 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.566 0.664 -8.737 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.675 0.997 -7.195 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.725 2.250 -8.457 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.282 2.625 -6.809 1.00 0.47 H new ATOM 679 N ILE A 62 -5.918 1.678 -5.931 1.00 0.31 N ATOM 680 CA ILE A 62 -6.701 1.249 -4.786 1.00 0.37 C ATOM 681 C ILE A 62 -7.922 0.463 -5.248 1.00 0.36 C ATOM 682 O ILE A 62 -8.251 -0.577 -4.683 1.00 0.38 O ATOM 683 CB ILE A 62 -7.142 2.459 -3.934 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.932 3.092 -3.250 1.00 0.45 C ATOM 685 CG2 ILE A 62 -8.179 2.056 -2.903 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.267 4.347 -2.479 1.00 0.53 C ATOM 0 H ILE A 62 -5.859 2.690 -6.043 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.075 0.605 -4.169 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.597 3.193 -4.599 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.487 2.365 -2.571 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.180 3.327 -4.003 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -8.470 2.929 -2.319 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.055 1.649 -3.408 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -7.758 1.300 -2.240 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.362 4.744 -2.019 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.685 5.090 -3.158 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.996 4.114 -1.703 1.00 0.53 H new ATOM 698 N LYS A 63 -8.573 0.951 -6.296 1.00 0.37 N ATOM 699 CA LYS A 63 -9.727 0.264 -6.856 1.00 0.40 C ATOM 700 C LYS A 63 -9.292 -1.031 -7.542 1.00 0.35 C ATOM 701 O LYS A 63 -10.053 -1.994 -7.593 1.00 0.40 O ATOM 702 CB LYS A 63 -10.486 1.185 -7.823 1.00 0.49 C ATOM 703 CG LYS A 63 -11.694 0.540 -8.499 1.00 0.59 C ATOM 704 CD LYS A 63 -12.644 -0.128 -7.505 1.00 1.21 C ATOM 705 CE LYS A 63 -13.222 0.853 -6.496 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.205 0.195 -5.591 1.00 2.76 N ATOM 0 H LYS A 63 -8.322 1.817 -6.773 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.408 0.002 -6.046 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.820 2.067 -7.277 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.796 1.529 -8.593 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -12.238 1.299 -9.060 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.348 -0.202 -9.219 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.459 -0.604 -8.051 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.112 -0.918 -6.974 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.415 1.285 -5.904 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -13.706 1.675 -7.023 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.515 0.871 -4.864 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -15.028 -0.121 -6.143 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.760 -0.626 -5.133 1.00 2.76 H new ATOM 720 N LYS A 64 -8.069 -1.058 -8.060 1.00 0.34 N ATOM 721 CA LYS A 64 -7.500 -2.292 -8.590 1.00 0.39 C ATOM 722 C LYS A 64 -7.374 -3.322 -7.478 1.00 0.35 C ATOM 723 O LYS A 64 -7.846 -4.449 -7.611 1.00 0.40 O ATOM 724 CB LYS A 64 -6.128 -2.051 -9.223 1.00 0.51 C ATOM 725 CG LYS A 64 -6.177 -1.298 -10.539 1.00 1.05 C ATOM 726 CD LYS A 64 -4.790 -1.150 -11.139 1.00 1.04 C ATOM 727 CE LYS A 64 -4.836 -0.507 -12.515 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.697 -1.270 -13.462 1.00 2.11 N ATOM 0 H LYS A 64 -7.456 -0.245 -8.124 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.171 -2.663 -9.365 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -5.509 -1.493 -8.521 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.640 -3.012 -9.385 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.825 -1.826 -11.239 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.615 -0.312 -10.381 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.170 -0.546 -10.476 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.319 -2.130 -11.211 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -5.211 0.513 -12.426 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.825 -0.441 -12.918 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -5.470 -0.993 -14.438 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -5.526 -2.289 -13.343 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -6.697 -1.061 -13.267 1.00 2.11 H new ATOM 742 N ALA A 65 -6.747 -2.914 -6.380 1.00 0.30 N ATOM 743 CA ALA A 65 -6.570 -3.778 -5.220 1.00 0.30 C ATOM 744 C ALA A 65 -7.919 -4.219 -4.659 1.00 0.33 C ATOM 745 O ALA A 65 -8.134 -5.399 -4.391 1.00 0.38 O ATOM 746 CB ALA A 65 -5.761 -3.055 -4.154 1.00 0.31 C ATOM 0 H ALA A 65 -6.350 -1.981 -6.270 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.028 -4.671 -5.532 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.633 -3.707 -3.290 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -4.783 -2.790 -4.557 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.286 -2.149 -3.850 1.00 0.31 H new ATOM 752 N ASP A 66 -8.819 -3.258 -4.498 1.00 0.35 N ATOM 753 CA ASP A 66 -10.173 -3.528 -4.019 1.00 0.41 C ATOM 754 C ASP A 66 -10.897 -4.502 -4.947 1.00 0.40 C ATOM 755 O ASP A 66 -11.563 -5.426 -4.488 1.00 0.47 O ATOM 756 CB ASP A 66 -10.941 -2.205 -3.887 1.00 0.48 C ATOM 757 CG ASP A 66 -12.441 -2.366 -3.750 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.155 -2.198 -4.764 1.00 1.11 O ATOM 759 OD2 ASP A 66 -12.922 -2.615 -2.627 1.00 1.36 O ATOM 0 H ASP A 66 -8.635 -2.274 -4.694 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.118 -4.000 -3.038 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.564 -1.665 -3.018 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -10.732 -1.588 -4.761 1.00 0.48 H new ATOM 764 N ASP A 67 -10.730 -4.314 -6.251 1.00 0.36 N ATOM 765 CA ASP A 67 -11.332 -5.202 -7.246 1.00 0.38 C ATOM 766 C ASP A 67 -10.752 -6.610 -7.151 1.00 0.40 C ATOM 767 O ASP A 67 -11.490 -7.598 -7.173 1.00 0.48 O ATOM 768 CB ASP A 67 -11.125 -4.648 -8.657 1.00 0.42 C ATOM 769 CG ASP A 67 -11.656 -5.574 -9.730 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.890 -5.629 -9.916 1.00 1.66 O ATOM 771 OD2 ASP A 67 -10.844 -6.248 -10.398 1.00 1.68 O ATOM 0 H ASP A 67 -10.181 -3.552 -6.648 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.401 -5.255 -7.038 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.620 -3.681 -8.740 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.061 -4.477 -8.824 1.00 0.42 H new ATOM 776 N ILE A 68 -9.428 -6.697 -7.036 1.00 0.37 N ATOM 777 CA ILE A 68 -8.755 -7.986 -6.896 1.00 0.41 C ATOM 778 C ILE A 68 -9.206 -8.676 -5.611 1.00 0.41 C ATOM 779 O ILE A 68 -9.323 -9.903 -5.551 1.00 0.47 O ATOM 780 CB ILE A 68 -7.214 -7.829 -6.894 1.00 0.43 C ATOM 781 CG1 ILE A 68 -6.741 -7.180 -8.198 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.536 -9.182 -6.701 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.259 -6.858 -8.225 1.00 0.51 C ATOM 0 H ILE A 68 -8.802 -5.892 -7.037 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.030 -8.598 -7.755 1.00 0.41 H new ATOM 0 HB ILE A 68 -6.937 -7.182 -6.062 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -6.973 -7.847 -9.029 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.305 -6.261 -8.360 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.454 -9.050 -6.703 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -6.848 -9.613 -5.750 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -6.821 -9.851 -7.513 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.003 -6.401 -9.181 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.022 -6.166 -7.417 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -4.685 -7.776 -8.096 1.00 0.51 H new ATOM 795 N ALA A 69 -9.470 -7.873 -4.588 1.00 0.39 N ATOM 796 CA ALA A 69 -9.982 -8.382 -3.328 1.00 0.43 C ATOM 797 C ALA A 69 -11.390 -8.932 -3.504 1.00 0.47 C ATOM 798 O ALA A 69 -11.677 -10.043 -3.077 1.00 0.53 O ATOM 799 CB ALA A 69 -9.968 -7.291 -2.267 1.00 0.46 C ATOM 0 H ALA A 69 -9.336 -6.862 -4.610 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.334 -9.194 -2.999 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.355 -7.690 -1.329 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.946 -6.941 -2.118 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.593 -6.459 -2.592 1.00 0.46 H new ATOM 805 N LYS A 70 -12.253 -8.154 -4.156 1.00 0.52 N ATOM 806 CA LYS A 70 -13.662 -8.524 -4.351 1.00 0.65 C ATOM 807 C LYS A 70 -13.811 -9.900 -4.954 1.00 0.63 C ATOM 808 O LYS A 70 -14.777 -10.603 -4.659 1.00 0.72 O ATOM 809 CB LYS A 70 -14.353 -7.545 -5.294 1.00 0.87 C ATOM 810 CG LYS A 70 -14.449 -6.115 -4.791 1.00 1.09 C ATOM 811 CD LYS A 70 -15.397 -6.000 -3.615 1.00 1.14 C ATOM 812 CE LYS A 70 -15.445 -4.583 -3.075 1.00 1.14 C ATOM 813 NZ LYS A 70 -16.198 -4.513 -1.799 1.00 1.50 N ATOM 0 H LYS A 70 -12.001 -7.253 -4.563 1.00 0.52 H new ATOM 0 HA LYS A 70 -14.117 -8.504 -3.361 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.819 -7.543 -6.244 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.360 -7.910 -5.495 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -13.460 -5.765 -4.497 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -14.790 -5.467 -5.598 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -16.397 -6.308 -3.921 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -15.082 -6.681 -2.825 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.430 -4.217 -2.920 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -15.912 -3.928 -3.811 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -16.432 -3.522 -1.588 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -17.075 -5.065 -1.883 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -15.616 -4.903 -1.030 1.00 1.50 H new ATOM 827 N LYS A 71 -12.881 -10.254 -5.829 1.00 0.62 N ATOM 828 CA LYS A 71 -12.881 -11.563 -6.454 1.00 0.76 C ATOM 829 C LYS A 71 -13.106 -12.637 -5.402 1.00 0.83 C ATOM 830 O LYS A 71 -13.988 -13.484 -5.534 1.00 1.03 O ATOM 831 CB LYS A 71 -11.549 -11.808 -7.169 1.00 0.84 C ATOM 832 CG LYS A 71 -11.269 -10.831 -8.301 1.00 1.26 C ATOM 833 CD LYS A 71 -9.846 -10.954 -8.847 1.00 1.71 C ATOM 834 CE LYS A 71 -9.633 -12.202 -9.700 1.00 2.27 C ATOM 835 NZ LYS A 71 -9.559 -13.455 -8.896 1.00 2.71 N ATOM 0 H LYS A 71 -12.115 -9.648 -6.121 1.00 0.62 H new ATOM 0 HA LYS A 71 -13.687 -11.603 -7.187 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -10.740 -11.747 -6.441 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.543 -12.822 -7.568 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -11.980 -11.004 -9.109 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -11.431 -9.813 -7.946 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -9.615 -10.071 -9.443 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -9.144 -10.968 -8.013 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -10.448 -12.287 -10.419 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -8.712 -12.090 -10.273 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -8.786 -14.052 -9.254 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -9.380 -13.218 -7.899 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -10.459 -13.971 -8.973 1.00 2.71 H new ATOM 917 N ALA A 77 -9.960 -7.271 4.293 1.00 0.55 N ATOM 918 CA ALA A 77 -8.612 -7.304 3.753 1.00 0.44 C ATOM 919 C ALA A 77 -7.801 -6.150 4.309 1.00 0.37 C ATOM 920 O ALA A 77 -8.359 -5.215 4.877 1.00 0.42 O ATOM 921 CB ALA A 77 -8.651 -7.246 2.231 1.00 0.71 C ATOM 0 HA ALA A 77 -8.136 -8.239 4.049 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.634 -7.271 1.840 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.208 -8.101 1.848 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.139 -6.324 1.914 1.00 0.71 H new ATOM 927 N LYS A 78 -6.490 -6.210 4.152 1.00 0.35 N ATOM 928 CA LYS A 78 -5.630 -5.135 4.617 1.00 0.37 C ATOM 929 C LYS A 78 -4.735 -4.661 3.487 1.00 0.33 C ATOM 930 O LYS A 78 -4.189 -5.466 2.731 1.00 0.37 O ATOM 931 CB LYS A 78 -4.785 -5.573 5.819 1.00 0.50 C ATOM 932 CG LYS A 78 -5.609 -5.944 7.045 1.00 0.63 C ATOM 933 CD LYS A 78 -4.759 -6.074 8.308 1.00 0.89 C ATOM 934 CE LYS A 78 -3.668 -7.128 8.174 1.00 1.04 C ATOM 935 NZ LYS A 78 -2.386 -6.562 7.665 1.00 1.67 N ATOM 0 H LYS A 78 -6.000 -6.987 3.709 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.265 -4.311 4.942 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.175 -6.429 5.530 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.100 -4.767 6.083 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.377 -5.187 7.205 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.124 -6.886 6.860 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.302 -5.111 8.535 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.403 -6.328 9.150 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -3.496 -7.593 9.145 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.008 -7.914 7.499 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -1.602 -7.196 7.919 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -2.434 -6.468 6.630 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -2.226 -5.626 8.090 1.00 1.67 H new ATOM 949 N ILE A 79 -4.596 -3.353 3.366 1.00 0.29 N ATOM 950 CA ILE A 79 -3.796 -2.766 2.305 1.00 0.29 C ATOM 951 C ILE A 79 -2.783 -1.791 2.893 1.00 0.29 C ATOM 952 O ILE A 79 -3.082 -1.087 3.853 1.00 0.40 O ATOM 953 CB ILE A 79 -4.685 -2.026 1.274 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.759 -2.962 0.712 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.837 -1.454 0.144 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.680 -2.302 -0.293 1.00 0.49 C ATOM 0 H ILE A 79 -5.029 -2.674 3.992 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.274 -3.575 1.794 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.181 -1.201 1.786 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.273 -3.815 0.239 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.356 -3.352 1.537 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.481 -0.939 -0.569 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.112 -0.750 0.553 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.311 -2.264 -0.362 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.413 -3.027 -0.646 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.195 -1.466 0.180 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.095 -1.937 -1.137 1.00 0.49 H new ATOM 968 N LEU A 80 -1.583 -1.776 2.345 1.00 0.23 N ATOM 969 CA LEU A 80 -0.567 -0.823 2.760 1.00 0.28 C ATOM 970 C LEU A 80 -0.282 0.121 1.597 1.00 0.30 C ATOM 971 O LEU A 80 -0.133 -0.320 0.465 1.00 0.45 O ATOM 972 CB LEU A 80 0.717 -1.564 3.172 1.00 0.40 C ATOM 973 CG LEU A 80 1.578 -0.900 4.263 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.833 -1.718 4.512 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.956 0.522 3.892 1.00 1.40 C ATOM 0 H LEU A 80 -1.285 -2.415 1.608 1.00 0.23 H new ATOM 0 HA LEU A 80 -0.922 -0.253 3.619 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.439 -2.560 3.517 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.335 -1.695 2.283 1.00 0.40 H new ATOM 0 HG LEU A 80 0.981 -0.862 5.174 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.433 -1.238 5.285 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.555 -2.720 4.838 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.413 -1.784 3.591 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.563 0.956 4.687 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.525 0.516 2.962 1.00 1.40 H new ATOM 0 HD23 LEU A 80 1.052 1.116 3.760 1.00 1.40 H new ATOM 987 N ILE A 81 -0.247 1.414 1.862 1.00 0.27 N ATOM 988 CA ILE A 81 0.120 2.377 0.835 1.00 0.27 C ATOM 989 C ILE A 81 1.386 3.109 1.240 1.00 0.27 C ATOM 990 O ILE A 81 1.362 3.948 2.137 1.00 0.33 O ATOM 991 CB ILE A 81 -1.003 3.405 0.565 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.276 2.696 0.096 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.550 4.424 -0.475 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.437 3.633 -0.154 1.00 0.38 C ATOM 0 H ILE A 81 -0.466 1.821 2.771 1.00 0.27 H new ATOM 0 HA ILE A 81 0.286 1.817 -0.085 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.222 3.930 1.495 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.059 2.148 -0.821 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.569 1.961 0.845 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.351 5.141 -0.655 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.332 4.949 -0.109 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.307 3.911 -1.405 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.303 3.059 -0.483 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.682 4.163 0.767 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.164 4.353 -0.926 1.00 0.38 H new ATOM 1006 N LEU A 82 2.491 2.772 0.591 1.00 0.27 N ATOM 1007 CA LEU A 82 3.762 3.424 0.855 1.00 0.31 C ATOM 1008 C LEU A 82 3.947 4.601 -0.088 1.00 0.34 C ATOM 1009 O LEU A 82 4.348 4.437 -1.233 1.00 0.59 O ATOM 1010 CB LEU A 82 4.921 2.435 0.686 1.00 0.43 C ATOM 1011 CG LEU A 82 4.945 1.273 1.680 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.057 0.299 1.330 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.125 1.787 3.099 1.00 1.08 C ATOM 0 H LEU A 82 2.531 2.047 -0.125 1.00 0.27 H new ATOM 0 HA LEU A 82 3.759 3.784 1.884 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.882 2.026 -0.324 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.859 2.983 0.772 1.00 0.43 H new ATOM 0 HG LEU A 82 3.990 0.751 1.619 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.061 -0.522 2.047 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.893 -0.096 0.327 1.00 1.61 H new ATOM 0 HD13 LEU A 82 7.017 0.815 1.364 1.00 1.61 H new ATOM 0 HD21 LEU A 82 5.140 0.946 3.792 1.00 1.08 H new ATOM 0 HD22 LEU A 82 6.066 2.333 3.172 1.00 1.08 H new ATOM 0 HD23 LEU A 82 4.299 2.452 3.353 1.00 1.08 H new ATOM 1025 N LEU A 83 3.653 5.784 0.394 1.00 0.35 N ATOM 1026 CA LEU A 83 3.786 6.986 -0.406 1.00 0.42 C ATOM 1027 C LEU A 83 4.781 7.924 0.248 1.00 0.44 C ATOM 1028 O LEU A 83 5.336 7.598 1.294 1.00 0.55 O ATOM 1029 CB LEU A 83 2.413 7.660 -0.582 1.00 0.45 C ATOM 1030 CG LEU A 83 1.487 7.664 0.650 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.063 8.507 1.773 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.104 8.168 0.266 1.00 1.13 C ATOM 0 H LEU A 83 3.317 5.945 1.344 1.00 0.35 H new ATOM 0 HA LEU A 83 4.159 6.726 -1.397 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.577 8.693 -0.889 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.891 7.163 -1.400 1.00 0.45 H new ATOM 0 HG LEU A 83 1.404 6.639 1.012 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.385 8.488 2.626 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.032 8.105 2.070 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.187 9.534 1.430 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.541 8.166 1.145 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.182 9.183 -0.125 1.00 1.13 H new ATOM 0 HD23 LEU A 83 -0.321 7.517 -0.498 1.00 1.13 H new ATOM 1044 N GLU A 84 5.038 9.068 -0.360 1.00 0.43 N ATOM 1045 CA GLU A 84 5.821 10.077 0.318 1.00 0.45 C ATOM 1046 C GLU A 84 5.030 11.370 0.417 1.00 0.47 C ATOM 1047 O GLU A 84 4.939 12.137 -0.543 1.00 0.54 O ATOM 1048 CB GLU A 84 7.132 10.316 -0.433 1.00 0.55 C ATOM 1049 CG GLU A 84 8.055 11.309 0.250 1.00 1.29 C ATOM 1050 CD GLU A 84 9.273 11.631 -0.585 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.198 12.566 -1.414 1.00 1.94 O ATOM 1052 OE2 GLU A 84 10.308 10.959 -0.420 1.00 2.04 O ATOM 0 H GLU A 84 4.724 9.315 -1.298 1.00 0.43 H new ATOM 0 HA GLU A 84 6.052 9.729 1.325 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.654 9.366 -0.545 1.00 0.55 H new ATOM 0 HB3 GLU A 84 6.905 10.676 -1.437 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.506 12.228 0.457 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.373 10.904 1.211 1.00 1.29 H new ATOM 1059 N LYS A 85 4.452 11.580 1.591 1.00 0.45 N ATOM 1060 CA LYS A 85 3.807 12.832 1.962 1.00 0.56 C ATOM 1061 C LYS A 85 3.313 12.713 3.398 1.00 0.53 C ATOM 1062 O LYS A 85 2.916 11.628 3.821 1.00 0.53 O ATOM 1063 CB LYS A 85 2.654 13.200 1.010 1.00 0.74 C ATOM 1064 CG LYS A 85 1.542 12.166 0.904 1.00 1.00 C ATOM 1065 CD LYS A 85 0.451 12.630 -0.053 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.254 13.878 0.461 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.137 14.491 -0.567 1.00 2.02 N ATOM 0 H LYS A 85 4.417 10.873 2.325 1.00 0.45 H new ATOM 0 HA LYS A 85 4.535 13.639 1.881 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.220 14.144 1.340 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.066 13.369 0.015 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.954 11.218 0.558 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.113 11.986 1.890 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.887 12.835 -1.031 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.277 11.831 -0.190 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.846 13.622 1.340 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.490 14.608 0.780 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.621 15.317 -0.161 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.565 14.791 -1.382 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.844 13.794 -0.878 1.00 2.02 H new ATOM 1081 N PRO A 86 3.343 13.800 4.175 1.00 0.60 N ATOM 1082 CA PRO A 86 2.813 13.786 5.540 1.00 0.62 C ATOM 1083 C PRO A 86 1.301 13.567 5.547 1.00 0.61 C ATOM 1084 O PRO A 86 0.546 14.368 4.984 1.00 0.68 O ATOM 1085 CB PRO A 86 3.166 15.173 6.083 1.00 0.74 C ATOM 1086 CG PRO A 86 3.363 16.024 4.876 1.00 0.85 C ATOM 1087 CD PRO A 86 3.895 15.113 3.804 1.00 0.74 C ATOM 0 HA PRO A 86 3.229 12.977 6.140 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.368 15.564 6.715 1.00 0.74 H new ATOM 0 HB3 PRO A 86 4.069 15.139 6.693 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.424 16.484 4.566 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.062 16.834 5.081 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.566 15.423 2.812 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.985 15.102 3.789 1.00 0.74 H new ATOM 1095 N VAL A 87 0.865 12.482 6.175 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.550 12.130 6.203 1.00 0.62 C ATOM 1097 C VAL A 87 -1.072 11.999 7.631 1.00 0.62 C ATOM 1098 O VAL A 87 -0.542 11.236 8.442 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.842 10.822 5.427 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.686 11.040 3.931 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.062 9.688 5.894 1.00 0.88 C ATOM 0 H VAL A 87 1.471 11.830 6.672 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.073 12.949 5.709 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.874 10.538 5.633 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.895 10.109 3.404 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.384 11.809 3.601 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.334 11.358 3.714 1.00 1.17 H new ATOM 0 HG21 VAL A 87 -0.168 8.784 5.330 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.104 9.963 5.731 1.00 0.88 H new ATOM 0 HG23 VAL A 87 -0.103 9.505 6.956 1.00 0.88 H new ATOM 1111 N SER A 88 -2.097 12.772 7.936 1.00 0.69 N ATOM 1112 CA SER A 88 -2.769 12.691 9.220 1.00 0.76 C ATOM 1113 C SER A 88 -3.896 11.651 9.169 1.00 0.72 C ATOM 1114 O SER A 88 -4.340 11.284 8.079 1.00 0.69 O ATOM 1115 CB SER A 88 -3.315 14.070 9.588 1.00 0.92 C ATOM 1116 OG SER A 88 -2.282 15.041 9.570 1.00 1.44 O ATOM 0 H SER A 88 -2.486 13.471 7.304 1.00 0.69 H new ATOM 0 HA SER A 88 -2.059 12.374 9.984 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.100 14.354 8.887 1.00 0.92 H new ATOM 0 HB3 SER A 88 -3.769 14.034 10.578 1.00 0.92 H new ATOM 0 HG SER A 88 -2.652 15.917 9.807 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.356 11.153 10.339 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.374 10.088 10.435 1.00 0.79 C ATOM 1124 C PRO A 89 -6.546 10.235 9.459 1.00 0.67 C ATOM 1125 O PRO A 89 -6.951 9.257 8.822 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.863 10.225 11.872 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.663 10.678 12.622 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.903 11.578 11.683 1.00 0.92 C ATOM 0 HA PRO A 89 -4.950 9.117 10.177 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.677 10.946 11.949 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.239 9.277 12.257 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.948 11.211 13.529 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.052 9.830 12.930 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.128 12.629 11.867 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.826 11.458 11.798 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.080 11.450 9.337 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.231 11.699 8.469 1.00 0.72 C ATOM 1138 C GLU A 90 -7.930 11.330 7.018 1.00 0.64 C ATOM 1139 O GLU A 90 -8.779 10.776 6.321 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.663 13.166 8.549 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.818 13.501 7.618 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.262 14.943 7.718 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.251 15.211 8.432 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -9.644 15.811 7.073 1.00 2.37 O ATOM 0 H GLU A 90 -6.735 12.276 9.827 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.045 11.066 8.822 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.952 13.398 9.574 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -7.812 13.803 8.306 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.522 13.289 6.591 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -10.662 12.851 7.847 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.712 11.615 6.579 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.317 11.360 5.200 1.00 0.62 C ATOM 1153 C TYR A 91 -6.349 9.870 4.897 1.00 0.52 C ATOM 1154 O TYR A 91 -6.680 9.463 3.789 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.925 11.926 4.925 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.862 13.435 4.991 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.892 14.198 3.833 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -4.776 14.094 6.210 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.835 15.577 3.888 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -4.720 15.472 6.273 1.00 3.00 C ATOM 1161 CZ TYR A 91 -4.749 16.208 5.109 1.00 2.89 C ATOM 1162 OH TYR A 91 -4.687 17.585 5.168 1.00 3.78 O ATOM 0 H TYR A 91 -5.979 12.024 7.159 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.031 11.861 4.546 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.223 11.509 5.647 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.598 11.600 3.938 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -4.961 13.706 2.874 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -4.753 13.519 7.124 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -4.858 16.158 2.978 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -4.654 15.970 7.229 1.00 3.00 H new ATOM 0 HH TYR A 91 -4.631 17.870 6.104 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.026 9.061 5.897 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.053 7.618 5.753 1.00 0.42 C ATOM 1174 C GLU A 92 -7.461 7.132 5.420 1.00 0.42 C ATOM 1175 O GLU A 92 -7.634 6.197 4.641 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.558 6.965 7.040 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.601 5.451 7.010 1.00 0.49 C ATOM 1178 CD GLU A 92 -5.035 4.836 8.270 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.918 4.280 8.215 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.704 4.905 9.322 1.00 1.14 O ATOM 0 H GLU A 92 -5.741 9.386 6.821 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.395 7.336 4.931 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.534 7.287 7.230 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -6.164 7.320 7.874 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.632 5.122 6.879 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.039 5.091 6.148 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.459 7.798 5.990 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.851 7.431 5.786 1.00 0.54 C ATOM 1189 C LYS A 93 -10.272 7.733 4.353 1.00 0.53 C ATOM 1190 O LYS A 93 -11.177 7.103 3.818 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.747 8.186 6.774 1.00 0.69 C ATOM 1192 CG LYS A 93 -12.228 7.875 6.621 1.00 1.51 C ATOM 1193 CD LYS A 93 -13.071 8.657 7.611 1.00 2.25 C ATOM 1194 CE LYS A 93 -14.555 8.387 7.416 1.00 2.80 C ATOM 1195 NZ LYS A 93 -14.893 6.950 7.600 1.00 3.25 N ATOM 0 H LYS A 93 -8.325 8.602 6.603 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.960 6.361 5.962 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.437 7.942 7.790 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.595 9.257 6.643 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.546 8.111 5.606 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -12.393 6.807 6.766 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -12.782 8.389 8.627 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -12.876 9.723 7.494 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -15.128 8.987 8.123 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.852 8.703 6.416 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -15.926 6.839 7.643 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -14.519 6.400 6.800 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -14.470 6.605 8.485 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.588 8.684 3.731 1.00 0.54 N ATOM 1210 CA LYS A 94 -9.876 9.060 2.358 1.00 0.59 C ATOM 1211 C LYS A 94 -9.557 7.887 1.436 1.00 0.52 C ATOM 1212 O LYS A 94 -10.388 7.462 0.633 1.00 0.57 O ATOM 1213 CB LYS A 94 -9.045 10.290 1.976 1.00 0.67 C ATOM 1214 CG LYS A 94 -9.381 10.887 0.620 1.00 1.19 C ATOM 1215 CD LYS A 94 -8.432 12.026 0.280 1.00 1.48 C ATOM 1216 CE LYS A 94 -8.828 12.735 -1.007 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.124 13.454 -0.877 1.00 2.44 N ATOM 0 H LYS A 94 -8.827 9.210 4.160 1.00 0.54 H new ATOM 0 HA LYS A 94 -10.932 9.310 2.256 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.183 11.056 2.739 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -7.990 10.016 1.986 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.319 10.115 -0.147 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.408 11.252 0.623 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -8.419 12.744 1.100 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -7.419 11.636 0.182 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -8.048 13.444 -1.284 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -8.898 12.006 -1.814 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.256 14.082 -1.695 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -10.902 12.764 -0.841 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -10.122 14.019 -0.004 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.359 7.341 1.596 1.00 0.47 N ATOM 1232 CA LEU A 95 -7.924 6.205 0.796 1.00 0.45 C ATOM 1233 C LEU A 95 -8.631 4.932 1.252 1.00 0.39 C ATOM 1234 O LEU A 95 -8.953 4.061 0.444 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.402 6.012 0.890 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.530 7.147 0.323 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -6.049 7.614 -1.027 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -5.437 8.315 1.291 1.00 1.12 C ATOM 0 H LEU A 95 -7.670 7.667 2.274 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.184 6.410 -0.242 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.140 5.872 1.939 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.142 5.090 0.370 1.00 0.46 H new ATOM 0 HG LEU A 95 -4.526 6.746 0.184 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -5.414 8.416 -1.403 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -6.036 6.781 -1.730 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -7.070 7.981 -0.917 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -4.814 9.098 0.858 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.435 8.710 1.482 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -4.995 7.977 2.228 1.00 1.12 H new ATOM 1250 N GLN A 96 -8.885 4.846 2.552 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.521 3.675 3.146 1.00 0.40 C ATOM 1252 C GLN A 96 -10.985 3.591 2.733 1.00 0.45 C ATOM 1253 O GLN A 96 -11.590 2.523 2.767 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.394 3.738 4.674 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.691 2.426 5.386 1.00 0.60 C ATOM 1256 CD GLN A 96 -9.406 2.487 6.873 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.428 3.288 7.262 1.00 1.79 O flip ATOM 1258 NE2 GLN A 96 -10.054 1.811 7.668 1.00 2.20 N flip ATOM 0 H GLN A 96 -8.658 5.581 3.222 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.018 2.778 2.785 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.383 4.055 4.929 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.072 4.503 5.051 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.738 2.163 5.232 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.094 1.632 4.938 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -10.801 1.204 7.331 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -9.845 1.856 8.665 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.550 4.727 2.351 1.00 0.52 N ATOM 1268 CA LYS A 97 -12.935 4.777 1.899 1.00 0.64 C ATOM 1269 C LYS A 97 -13.070 4.328 0.438 1.00 0.65 C ATOM 1270 O LYS A 97 -14.125 3.838 0.030 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.489 6.193 2.067 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.993 6.289 1.893 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.493 7.697 2.162 1.00 1.95 C ATOM 1274 CE LYS A 97 -17.009 7.758 2.151 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.605 6.889 3.200 1.00 2.87 N ATOM 0 H LYS A 97 -11.071 5.628 2.345 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.512 4.086 2.513 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.223 6.561 3.058 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.007 6.850 1.343 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -15.263 5.993 0.879 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.485 5.591 2.571 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -15.121 8.039 3.128 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.095 8.376 1.408 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -17.332 8.787 2.305 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -17.378 7.451 1.172 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.585 7.187 3.382 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.598 5.900 2.877 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.050 6.971 4.076 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.007 4.493 -0.346 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.047 4.142 -1.772 1.00 0.68 C ATOM 1291 C TYR A 98 -12.128 2.631 -1.989 1.00 0.64 C ATOM 1292 O TYR A 98 -12.714 2.167 -2.967 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.824 4.693 -2.509 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.741 6.202 -2.535 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -9.522 6.846 -2.377 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -11.877 6.983 -2.719 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -9.436 8.223 -2.398 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -11.797 8.360 -2.741 1.00 2.50 C ATOM 1299 CZ TYR A 98 -10.575 8.974 -2.581 1.00 2.73 C ATOM 1300 OH TYR A 98 -10.490 10.346 -2.605 1.00 3.64 O ATOM 0 H TYR A 98 -11.112 4.864 -0.026 1.00 0.63 H new ATOM 0 HA TYR A 98 -12.951 4.597 -2.178 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -9.923 4.299 -2.038 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.835 4.324 -3.534 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -8.626 6.260 -2.235 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -12.837 6.504 -2.847 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -8.480 8.709 -2.272 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -12.688 8.953 -2.883 1.00 2.50 H new ATOM 0 HH TYR A 98 -11.382 10.727 -2.744 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.537 1.871 -1.085 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.533 0.418 -1.190 1.00 0.56 C ATOM 1312 C ALA A 99 -12.202 -0.189 0.021 1.00 0.52 C ATOM 1313 O ALA A 99 -12.239 0.432 1.082 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.107 -0.097 -1.285 1.00 0.59 C ATOM 0 H ALA A 99 -11.051 2.235 -0.266 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.080 0.134 -2.089 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.117 -1.184 -1.363 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.626 0.326 -2.167 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.554 0.198 -0.393 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.752 -1.383 -0.113 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.219 -2.069 1.072 1.00 0.53 C ATOM 1322 C ASP A 100 -12.093 -2.929 1.599 1.00 0.47 C ATOM 1323 O ASP A 100 -11.876 -4.058 1.150 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.460 -2.918 0.780 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.681 -2.073 0.488 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -16.178 -2.108 -0.657 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.149 -1.361 1.397 1.00 1.73 O ATOM 0 H ASP A 100 -12.882 -1.880 -0.994 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.511 -1.333 1.821 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.260 -3.569 -0.071 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.664 -3.564 1.634 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.404 -2.367 2.570 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.298 -3.010 3.249 1.00 0.39 C ATOM 1334 C ALA A 101 -9.825 -2.099 4.357 1.00 0.37 C ATOM 1335 O ALA A 101 -10.283 -0.962 4.466 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.159 -3.295 2.278 1.00 0.43 C ATOM 0 H ALA A 101 -11.602 -1.429 2.917 1.00 0.42 H new ATOM 0 HA ALA A 101 -10.627 -3.963 3.662 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.339 -3.778 2.810 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.514 -3.952 1.484 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -8.808 -2.359 1.844 1.00 0.43 H new ATOM 1342 N GLU A 102 -8.911 -2.580 5.165 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.274 -1.738 6.149 1.00 0.31 C ATOM 1344 C GLU A 102 -6.927 -1.283 5.612 1.00 0.29 C ATOM 1345 O GLU A 102 -5.925 -1.983 5.763 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.079 -2.483 7.465 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.276 -3.315 7.897 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.105 -3.885 9.290 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.289 -4.811 9.464 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.788 -3.404 10.222 1.00 1.77 O ATOM 0 H GLU A 102 -8.592 -3.549 5.161 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.913 -0.876 6.341 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.211 -3.136 7.374 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.853 -1.760 8.248 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.175 -2.699 7.866 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.424 -4.130 7.189 1.00 0.76 H new ATOM 1357 N VAL A 103 -6.900 -0.137 4.945 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.651 0.367 4.403 1.00 0.32 C ATOM 1359 C VAL A 103 -4.901 1.161 5.461 1.00 0.32 C ATOM 1360 O VAL A 103 -5.489 1.948 6.208 1.00 0.38 O ATOM 1361 CB VAL A 103 -5.844 1.226 3.125 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.379 2.605 3.445 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.539 1.347 2.362 1.00 1.05 C ATOM 0 H VAL A 103 -7.715 0.451 4.770 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.064 -0.503 4.110 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.581 0.716 2.505 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.499 3.172 2.522 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.344 2.514 3.943 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.680 3.123 4.101 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.694 1.953 1.469 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -3.789 1.821 2.996 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.194 0.355 2.072 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.614 0.911 5.542 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.749 1.596 6.473 1.00 0.37 C ATOM 1375 C ARG A 104 -1.771 2.453 5.686 1.00 0.33 C ATOM 1376 O ARG A 104 -0.778 1.951 5.157 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.017 0.558 7.328 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.329 1.123 8.557 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.776 0.007 9.429 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.831 -0.894 9.895 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.686 -2.212 10.042 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.528 -2.801 9.770 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -2.707 -2.943 10.466 1.00 2.71 N ATOM 0 H ARG A 104 -3.136 0.223 4.960 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.323 2.243 7.137 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.732 -0.201 7.645 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.273 0.057 6.709 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.520 1.787 8.253 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -2.035 1.723 9.131 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -0.036 -0.561 8.866 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.261 0.438 10.288 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.738 -0.487 10.123 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.263 -2.245 9.445 1.00 1.78 H new ATOM 0 HH12 ARG A 104 -0.429 -3.810 9.886 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -3.600 -2.498 10.679 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -2.600 -3.951 10.580 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.067 3.742 5.584 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.265 4.626 4.754 1.00 0.31 C ATOM 1399 C VAL A 105 0.050 4.973 5.454 1.00 0.31 C ATOM 1400 O VAL A 105 0.055 5.356 6.627 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.017 5.923 4.370 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.278 5.593 3.584 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.355 6.757 5.596 1.00 0.71 C ATOM 0 H VAL A 105 -2.848 4.193 6.060 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.055 4.086 3.831 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.355 6.517 3.740 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.795 6.516 3.322 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.010 5.056 2.674 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.934 4.970 4.193 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.882 7.660 5.288 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.989 6.177 6.267 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.436 7.032 6.113 1.00 0.71 H new ATOM 1413 N ARG A 106 1.158 4.807 4.747 1.00 0.31 N ATOM 1414 CA ARG A 106 2.483 5.040 5.316 1.00 0.35 C ATOM 1415 C ARG A 106 3.320 5.913 4.395 1.00 0.29 C ATOM 1416 O ARG A 106 3.241 5.795 3.173 1.00 0.31 O ATOM 1417 CB ARG A 106 3.207 3.708 5.556 1.00 0.46 C ATOM 1418 CG ARG A 106 3.175 3.229 7.001 1.00 0.79 C ATOM 1419 CD ARG A 106 1.758 3.120 7.525 1.00 0.87 C ATOM 1420 NE ARG A 106 1.716 2.910 8.968 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.836 3.494 9.781 1.00 1.70 C ATOM 1422 NH1 ARG A 106 -0.030 4.383 9.307 1.00 1.88 N ATOM 1423 NH2 ARG A 106 0.837 3.198 11.073 1.00 2.63 N ATOM 0 H ARG A 106 1.168 4.510 3.771 1.00 0.31 H new ATOM 0 HA ARG A 106 2.352 5.554 6.268 1.00 0.35 H new ATOM 0 HB2 ARG A 106 2.757 2.944 4.922 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.246 3.811 5.243 1.00 0.46 H new ATOM 0 HG2 ARG A 106 3.665 2.258 7.073 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.742 3.919 7.626 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.210 4.029 7.276 1.00 0.87 H new ATOM 0 HD3 ARG A 106 1.251 2.295 7.025 1.00 0.87 H new ATOM 0 HE ARG A 106 2.402 2.278 9.380 1.00 1.30 H new ATOM 0 HH11 ARG A 106 -0.024 4.622 8.315 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -0.701 4.826 9.935 1.00 1.88 H new ATOM 0 HH21 ARG A 106 1.510 2.526 11.442 1.00 2.63 H new ATOM 0 HH22 ARG A 106 0.165 3.643 11.699 1.00 2.63 H new ATOM 1437 N THR A 107 4.120 6.783 4.983 1.00 0.34 N ATOM 1438 CA THR A 107 5.005 7.632 4.215 1.00 0.36 C ATOM 1439 C THR A 107 6.457 7.206 4.424 1.00 0.40 C ATOM 1440 O THR A 107 6.923 7.052 5.558 1.00 0.56 O ATOM 1441 CB THR A 107 4.812 9.129 4.563 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.689 9.945 3.774 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.056 9.399 6.042 1.00 0.64 C ATOM 0 H THR A 107 4.173 6.919 5.993 1.00 0.34 H new ATOM 0 HA THR A 107 4.752 7.513 3.161 1.00 0.36 H new ATOM 0 HB THR A 107 3.777 9.383 4.336 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.554 10.888 4.004 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.911 10.460 6.247 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.355 8.815 6.639 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.076 9.116 6.300 1.00 0.64 H new ATOM 1451 N VAL A 108 7.158 6.979 3.323 1.00 0.44 N ATOM 1452 CA VAL A 108 8.536 6.516 3.372 1.00 0.60 C ATOM 1453 C VAL A 108 9.436 7.401 2.525 1.00 0.68 C ATOM 1454 O VAL A 108 9.008 7.952 1.510 1.00 0.86 O ATOM 1455 CB VAL A 108 8.671 5.053 2.887 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.964 4.105 3.839 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.126 4.894 1.474 1.00 0.97 C ATOM 0 H VAL A 108 6.792 7.109 2.380 1.00 0.44 H new ATOM 0 HA VAL A 108 8.845 6.568 4.416 1.00 0.60 H new ATOM 0 HB VAL A 108 9.731 4.801 2.872 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.071 3.082 3.480 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.406 4.189 4.832 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.906 4.363 3.890 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.233 3.857 1.157 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.072 5.172 1.457 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.682 5.540 0.795 1.00 0.97 H new ATOM 1467 N THR A 109 10.679 7.540 2.953 1.00 0.68 N ATOM 1468 CA THR A 109 11.659 8.317 2.216 1.00 0.78 C ATOM 1469 C THR A 109 12.821 7.431 1.778 1.00 0.71 C ATOM 1470 O THR A 109 13.425 7.648 0.729 1.00 0.88 O ATOM 1471 CB THR A 109 12.192 9.493 3.058 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.669 9.023 4.332 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.106 10.538 3.271 1.00 1.11 C ATOM 0 H THR A 109 11.034 7.122 3.813 1.00 0.68 H new ATOM 0 HA THR A 109 11.162 8.723 1.335 1.00 0.78 H new ATOM 0 HB THR A 109 13.018 9.951 2.514 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.593 8.047 4.370 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.503 11.359 3.868 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.773 10.919 2.305 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.263 10.085 3.793 1.00 1.11 H new ATOM 1481 N SER A 110 13.117 6.422 2.585 1.00 0.59 N ATOM 1482 CA SER A 110 14.205 5.503 2.303 1.00 0.54 C ATOM 1483 C SER A 110 13.670 4.080 2.141 1.00 0.49 C ATOM 1484 O SER A 110 12.746 3.670 2.845 1.00 0.51 O ATOM 1485 CB SER A 110 15.226 5.558 3.438 1.00 0.62 C ATOM 1486 OG SER A 110 15.696 6.882 3.639 1.00 0.93 O ATOM 0 H SER A 110 12.612 6.220 3.448 1.00 0.59 H new ATOM 0 HA SER A 110 14.688 5.796 1.371 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.773 5.186 4.357 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.065 4.902 3.208 1.00 0.62 H new ATOM 0 HG SER A 110 16.347 6.890 4.372 1.00 0.93 H new ATOM 1492 N PRO A 111 14.241 3.315 1.188 1.00 0.49 N ATOM 1493 CA PRO A 111 13.805 1.944 0.878 1.00 0.49 C ATOM 1494 C PRO A 111 13.870 0.978 2.065 1.00 0.45 C ATOM 1495 O PRO A 111 13.243 -0.083 2.038 1.00 0.50 O ATOM 1496 CB PRO A 111 14.780 1.488 -0.209 1.00 0.58 C ATOM 1497 CG PRO A 111 15.313 2.742 -0.807 1.00 0.60 C ATOM 1498 CD PRO A 111 15.343 3.748 0.305 1.00 0.54 C ATOM 0 HA PRO A 111 12.756 1.941 0.582 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.582 0.880 0.211 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.276 0.877 -0.959 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.310 2.585 -1.219 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.680 3.084 -1.626 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.301 3.743 0.826 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.187 4.761 -0.065 1.00 0.54 H new ATOM 1506 N ASP A 112 14.636 1.318 3.093 1.00 0.47 N ATOM 1507 CA ASP A 112 14.720 0.466 4.276 1.00 0.49 C ATOM 1508 C ASP A 112 13.477 0.635 5.141 1.00 0.43 C ATOM 1509 O ASP A 112 13.050 -0.304 5.809 1.00 0.45 O ATOM 1510 CB ASP A 112 15.988 0.751 5.092 1.00 0.60 C ATOM 1511 CG ASP A 112 15.955 2.082 5.813 1.00 1.16 C ATOM 1512 OD1 ASP A 112 16.349 3.100 5.208 1.00 1.71 O ATOM 1513 OD2 ASP A 112 15.547 2.116 6.992 1.00 2.04 O ATOM 0 H ASP A 112 15.202 2.166 3.135 1.00 0.47 H new ATOM 0 HA ASP A 112 14.775 -0.568 3.936 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.127 -0.046 5.823 1.00 0.60 H new ATOM 0 HB3 ASP A 112 16.851 0.728 4.427 1.00 0.60 H new ATOM 1518 N GLU A 113 12.883 1.824 5.098 1.00 0.43 N ATOM 1519 CA GLU A 113 11.656 2.091 5.839 1.00 0.45 C ATOM 1520 C GLU A 113 10.526 1.238 5.288 1.00 0.37 C ATOM 1521 O GLU A 113 9.723 0.683 6.038 1.00 0.40 O ATOM 1522 CB GLU A 113 11.269 3.564 5.739 1.00 0.57 C ATOM 1523 CG GLU A 113 12.334 4.522 6.236 1.00 0.78 C ATOM 1524 CD GLU A 113 11.889 5.963 6.131 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.437 6.527 7.147 1.00 2.21 O ATOM 1526 OE2 GLU A 113 11.964 6.534 5.026 1.00 2.13 O ATOM 0 H GLU A 113 13.231 2.616 4.558 1.00 0.43 H new ATOM 0 HA GLU A 113 11.830 1.844 6.886 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.042 3.799 4.699 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.355 3.727 6.309 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.574 4.291 7.274 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.247 4.381 5.658 1.00 0.78 H new ATOM 1533 N ALA A 114 10.483 1.137 3.965 1.00 0.37 N ATOM 1534 CA ALA A 114 9.486 0.324 3.285 1.00 0.39 C ATOM 1535 C ALA A 114 9.543 -1.114 3.779 1.00 0.36 C ATOM 1536 O ALA A 114 8.520 -1.709 4.110 1.00 0.38 O ATOM 1537 CB ALA A 114 9.702 0.378 1.780 1.00 0.48 C ATOM 0 H ALA A 114 11.133 1.613 3.339 1.00 0.37 H new ATOM 0 HA ALA A 114 8.498 0.725 3.510 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.950 -0.234 1.282 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.616 1.409 1.437 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.695 -0.002 1.541 1.00 0.48 H new ATOM 1543 N LYS A 115 10.756 -1.651 3.852 1.00 0.38 N ATOM 1544 CA LYS A 115 10.968 -3.016 4.314 1.00 0.45 C ATOM 1545 C LYS A 115 10.482 -3.189 5.753 1.00 0.39 C ATOM 1546 O LYS A 115 9.949 -4.238 6.115 1.00 0.44 O ATOM 1547 CB LYS A 115 12.448 -3.392 4.205 1.00 0.57 C ATOM 1548 CG LYS A 115 12.963 -3.430 2.771 1.00 0.75 C ATOM 1549 CD LYS A 115 14.341 -4.072 2.688 1.00 0.77 C ATOM 1550 CE LYS A 115 15.432 -3.165 3.233 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.708 -2.024 2.321 1.00 1.53 N ATOM 0 H LYS A 115 11.611 -1.158 3.595 1.00 0.38 H new ATOM 0 HA LYS A 115 10.388 -3.683 3.676 1.00 0.45 H new ATOM 0 HB2 LYS A 115 13.039 -2.676 4.776 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.601 -4.369 4.663 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.263 -3.986 2.147 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.009 -2.416 2.373 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.338 -5.009 3.246 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.562 -4.320 1.650 1.00 0.77 H new ATOM 0 HE2 LYS A 115 15.134 -2.785 4.210 1.00 1.22 H new ATOM 0 HE3 LYS A 115 16.345 -3.742 3.380 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.357 -1.357 2.786 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.144 -2.377 1.445 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 14.817 -1.538 2.093 1.00 1.53 H new ATOM 1565 N ARG A 116 10.659 -2.150 6.561 1.00 0.36 N ATOM 1566 CA ARG A 116 10.201 -2.167 7.946 1.00 0.39 C ATOM 1567 C ARG A 116 8.684 -2.290 8.016 1.00 0.35 C ATOM 1568 O ARG A 116 8.152 -3.177 8.690 1.00 0.42 O ATOM 1569 CB ARG A 116 10.649 -0.896 8.675 1.00 0.50 C ATOM 1570 CG ARG A 116 12.152 -0.798 8.878 1.00 1.14 C ATOM 1571 CD ARG A 116 12.608 -1.497 10.153 1.00 1.65 C ATOM 1572 NE ARG A 116 12.210 -2.904 10.206 1.00 2.40 N ATOM 1573 CZ ARG A 116 13.057 -3.927 10.108 1.00 3.29 C ATOM 1574 NH1 ARG A 116 14.342 -3.712 9.860 1.00 3.61 N ATOM 1575 NH2 ARG A 116 12.615 -5.168 10.250 1.00 4.21 N ATOM 0 H ARG A 116 11.117 -1.283 6.280 1.00 0.36 H new ATOM 0 HA ARG A 116 10.645 -3.035 8.434 1.00 0.39 H new ATOM 0 HB2 ARG A 116 10.311 -0.027 8.110 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.158 -0.855 9.647 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.662 -1.239 8.022 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.444 0.251 8.917 1.00 1.14 H new ATOM 0 HD2 ARG A 116 13.693 -1.429 10.230 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.194 -0.975 11.015 1.00 1.65 H new ATOM 0 HE ARG A 116 11.219 -3.115 10.326 1.00 2.40 H new ATOM 0 HH11 ARG A 116 14.686 -2.759 9.743 1.00 3.61 H new ATOM 0 HH12 ARG A 116 14.986 -4.500 9.786 1.00 3.61 H new ATOM 0 HH21 ARG A 116 11.627 -5.339 10.434 1.00 4.21 H new ATOM 0 HH22 ARG A 116 13.263 -5.952 10.175 1.00 4.21 H new ATOM 1589 N TRP A 117 7.992 -1.409 7.301 1.00 0.31 N ATOM 1590 CA TRP A 117 6.534 -1.374 7.331 1.00 0.32 C ATOM 1591 C TRP A 117 5.934 -2.657 6.768 1.00 0.30 C ATOM 1592 O TRP A 117 4.959 -3.175 7.307 1.00 0.36 O ATOM 1593 CB TRP A 117 5.999 -0.168 6.557 1.00 0.36 C ATOM 1594 CG TRP A 117 6.394 1.153 7.148 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.064 2.159 6.519 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.146 1.611 8.484 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.245 3.216 7.375 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.691 2.905 8.588 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.516 1.055 9.600 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.623 3.649 9.762 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.450 1.796 10.765 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.001 3.081 10.838 1.00 0.99 C ATOM 0 H TRP A 117 8.418 -0.709 6.693 1.00 0.31 H new ATOM 0 HA TRP A 117 6.235 -1.284 8.375 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.359 -0.218 5.529 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.911 -0.227 6.517 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.404 2.129 5.494 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.716 4.091 7.145 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.088 0.064 9.553 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.047 4.641 9.821 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.965 1.376 11.634 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.933 3.634 11.763 1.00 0.99 H new ATOM 1613 N ILE A 118 6.526 -3.172 5.694 1.00 0.29 N ATOM 1614 CA ILE A 118 6.034 -4.391 5.059 1.00 0.32 C ATOM 1615 C ILE A 118 6.068 -5.572 6.028 1.00 0.36 C ATOM 1616 O ILE A 118 5.116 -6.350 6.103 1.00 0.40 O ATOM 1617 CB ILE A 118 6.841 -4.731 3.785 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.625 -3.645 2.727 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.441 -6.097 3.235 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.472 -3.821 1.487 1.00 0.57 C ATOM 0 H ILE A 118 7.346 -2.765 5.245 1.00 0.29 H new ATOM 0 HA ILE A 118 4.999 -4.206 4.771 1.00 0.32 H new ATOM 0 HB ILE A 118 7.899 -4.770 4.045 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.574 -3.636 2.439 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.843 -2.673 3.169 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.023 -6.313 2.339 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.634 -6.863 3.986 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.380 -6.093 2.986 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.262 -3.013 0.786 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.527 -3.799 1.761 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.238 -4.778 1.019 1.00 0.57 H new ATOM 1632 N LYS A 119 7.153 -5.692 6.784 1.00 0.41 N ATOM 1633 CA LYS A 119 7.270 -6.757 7.775 1.00 0.53 C ATOM 1634 C LYS A 119 6.238 -6.581 8.886 1.00 0.55 C ATOM 1635 O LYS A 119 5.649 -7.550 9.359 1.00 0.67 O ATOM 1636 CB LYS A 119 8.678 -6.796 8.367 1.00 0.63 C ATOM 1637 CG LYS A 119 9.738 -7.280 7.392 1.00 1.09 C ATOM 1638 CD LYS A 119 11.106 -7.344 8.049 1.00 1.34 C ATOM 1639 CE LYS A 119 12.141 -7.962 7.124 1.00 2.05 C ATOM 1640 NZ LYS A 119 13.484 -8.047 7.759 1.00 2.66 N ATOM 0 H LYS A 119 7.960 -5.070 6.731 1.00 0.41 H new ATOM 0 HA LYS A 119 7.079 -7.704 7.271 1.00 0.53 H new ATOM 0 HB2 LYS A 119 8.945 -5.797 8.713 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.677 -7.447 9.241 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.466 -8.267 7.017 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.776 -6.611 6.532 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.422 -6.340 8.331 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.043 -7.928 8.967 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.815 -8.960 6.833 1.00 2.05 H new ATOM 0 HE3 LYS A 119 12.209 -7.370 6.211 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 14.157 -8.475 7.092 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 13.808 -7.092 8.014 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 13.426 -8.633 8.616 1.00 2.66 H new ATOM 1654 N GLU A 120 6.009 -5.334 9.281 1.00 0.51 N ATOM 1655 CA GLU A 120 5.050 -5.030 10.337 1.00 0.63 C ATOM 1656 C GLU A 120 3.616 -5.216 9.853 1.00 0.60 C ATOM 1657 O GLU A 120 2.705 -5.407 10.651 1.00 0.79 O ATOM 1658 CB GLU A 120 5.232 -3.595 10.834 1.00 0.71 C ATOM 1659 CG GLU A 120 6.567 -3.338 11.508 1.00 1.43 C ATOM 1660 CD GLU A 120 6.824 -4.280 12.665 1.00 1.83 C ATOM 1661 OE1 GLU A 120 5.993 -4.323 13.600 1.00 2.48 O ATOM 1662 OE2 GLU A 120 7.859 -4.974 12.650 1.00 2.33 O ATOM 0 H GLU A 120 6.474 -4.517 8.886 1.00 0.51 H new ATOM 0 HA GLU A 120 5.237 -5.725 11.156 1.00 0.63 H new ATOM 0 HB2 GLU A 120 5.126 -2.913 9.990 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.432 -3.361 11.536 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.367 -3.442 10.775 1.00 1.43 H new ATOM 0 HG3 GLU A 120 6.597 -2.310 11.868 1.00 1.43 H new ATOM 1669 N PHE A 121 3.432 -5.145 8.543 1.00 0.44 N ATOM 1670 CA PHE A 121 2.109 -5.225 7.937 1.00 0.43 C ATOM 1671 C PHE A 121 1.731 -6.669 7.616 1.00 0.46 C ATOM 1672 O PHE A 121 0.556 -7.037 7.646 1.00 0.54 O ATOM 1673 CB PHE A 121 2.088 -4.372 6.666 1.00 0.38 C ATOM 1674 CG PHE A 121 0.831 -4.492 5.854 1.00 0.43 C ATOM 1675 CD1 PHE A 121 -0.333 -3.858 6.252 1.00 1.37 C ATOM 1676 CD2 PHE A 121 0.822 -5.235 4.684 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -1.483 -3.964 5.498 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -0.325 -5.344 3.928 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.478 -4.709 4.335 1.00 0.67 C ATOM 0 H PHE A 121 4.191 -5.031 7.872 1.00 0.44 H new ATOM 0 HA PHE A 121 1.374 -4.846 8.647 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.228 -3.327 6.943 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.936 -4.652 6.042 1.00 0.38 H new ATOM 0 HD1 PHE A 121 -0.341 -3.275 7.161 1.00 1.37 H new ATOM 0 HD2 PHE A 121 1.724 -5.734 4.361 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -2.386 -3.465 5.817 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -0.320 -5.926 3.018 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.378 -4.794 3.744 1.00 0.67 H new ATOM 1689 N SER A 122 2.727 -7.480 7.304 1.00 0.44 N ATOM 1690 CA SER A 122 2.487 -8.868 6.952 1.00 0.50 C ATOM 1691 C SER A 122 2.205 -9.707 8.195 1.00 0.58 C ATOM 1692 O SER A 122 1.132 -10.296 8.325 1.00 0.80 O ATOM 1693 CB SER A 122 3.680 -9.424 6.170 1.00 0.57 C ATOM 1694 OG SER A 122 4.908 -9.023 6.759 1.00 1.31 O ATOM 0 H SER A 122 3.708 -7.202 7.287 1.00 0.44 H new ATOM 0 HA SER A 122 1.603 -8.918 6.316 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.625 -10.512 6.141 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.637 -9.075 5.138 1.00 0.57 H new ATOM 0 HG SER A 122 5.137 -8.120 6.455 1.00 1.31 H new ATOM 1700 N GLU A 123 3.151 -9.736 9.119 1.00 0.63 N ATOM 1701 CA GLU A 123 3.014 -10.547 10.320 1.00 0.81 C ATOM 1702 C GLU A 123 2.788 -9.672 11.552 1.00 0.92 C ATOM 1703 O GLU A 123 3.619 -9.615 12.458 1.00 1.44 O ATOM 1704 CB GLU A 123 4.249 -11.441 10.491 1.00 1.25 C ATOM 1705 CG GLU A 123 5.571 -10.702 10.331 1.00 1.57 C ATOM 1706 CD GLU A 123 6.756 -11.639 10.262 1.00 1.91 C ATOM 1707 OE1 GLU A 123 7.422 -11.846 11.296 1.00 2.53 O ATOM 1708 OE2 GLU A 123 7.031 -12.172 9.168 1.00 2.37 O ATOM 0 H GLU A 123 4.022 -9.208 9.062 1.00 0.63 H new ATOM 0 HA GLU A 123 2.137 -11.186 10.212 1.00 0.81 H new ATOM 0 HB2 GLU A 123 4.218 -11.902 11.478 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.205 -12.249 9.761 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.538 -10.097 9.425 1.00 1.57 H new ATOM 0 HG3 GLU A 123 5.703 -10.016 11.168 1.00 1.57 H new