USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -1.4 K(o=-1.5,f=-0.91) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.071 USER MOD Set 2.1: A 29 CYS SG : rot 94:sc= -2.5! USER MOD Set 2.2: A 115 MET CE :methyl -135:sc= -0.631 (180deg=-2.84!) USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 11 ASN : amide:sc= -0.106 X(o=-0.11,f=0.19) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0385 (180deg=-0.279) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0504 USER MOD Single : A 52 MET CE :methyl -150:sc= -1.58 (180deg=-4.75!) USER MOD Single : A 53 TYR OH : rot -155:sc= 0.779 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0.204 K(o=0.2,f=-3.8!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 174:sc= -0.47 (180deg=-0.524) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -170:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.041 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 68:sc= 0.359 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl -103:sc=-0.00216 (180deg=-1.04) USER MOD Single : A 118 ASN : amide:sc= -2.9 K(o=-2.9,f=-0.19) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.535 -21.416 6.942 1.00 0.00 N ATOM 84 CA SER A 2 -0.946 -20.677 5.754 1.00 0.00 C ATOM 85 C SER A 2 -0.135 -19.394 5.604 1.00 0.00 C ATOM 86 O SER A 2 -0.224 -18.470 6.413 1.00 0.00 O ATOM 87 CB SER A 2 -2.438 -20.346 5.825 1.00 0.00 C ATOM 88 OG SER A 2 -3.219 -21.387 5.263 1.00 0.00 O ATOM 0 HA SER A 2 -0.761 -21.306 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.730 -20.188 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.633 -19.414 5.294 1.00 0.00 H new ATOM 0 HG SER A 2 -4.169 -21.152 5.322 1.00 0.00 H new ATOM 94 N PRO A 3 0.680 -19.331 4.541 1.00 0.00 N ATOM 95 CA PRO A 3 1.477 -18.114 4.362 1.00 0.00 C ATOM 96 C PRO A 3 0.621 -16.912 3.979 1.00 0.00 C ATOM 97 O PRO A 3 -0.327 -17.034 3.203 1.00 0.00 O ATOM 98 CB PRO A 3 2.428 -18.478 3.219 1.00 0.00 C ATOM 99 CG PRO A 3 1.717 -19.544 2.459 1.00 0.00 C ATOM 100 CD PRO A 3 0.924 -20.318 3.476 1.00 0.00 C ATOM 0 HA PRO A 3 1.985 -17.821 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.637 -17.614 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.385 -18.834 3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.064 -19.113 1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.424 -20.191 1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.009 -20.695 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.478 -21.180 3.846 1.00 0.00 H new ATOM 108 N PHE A 4 0.960 -15.750 4.528 1.00 0.00 N ATOM 109 CA PHE A 4 0.222 -14.525 4.244 1.00 0.00 C ATOM 110 C PHE A 4 1.153 -13.439 3.713 1.00 0.00 C ATOM 111 O PHE A 4 2.373 -13.529 3.852 1.00 0.00 O ATOM 112 CB PHE A 4 -0.491 -14.030 5.505 1.00 0.00 C ATOM 113 CG PHE A 4 0.442 -13.462 6.536 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.022 -14.282 7.491 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.737 -12.109 6.552 1.00 0.00 C ATOM 116 CE1 PHE A 4 1.881 -13.763 8.441 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.595 -11.584 7.500 1.00 0.00 C ATOM 118 CZ PHE A 4 2.167 -12.412 8.446 1.00 0.00 C ATOM 0 H PHE A 4 1.742 -15.631 5.172 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.521 -14.748 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.219 -13.268 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.048 -14.857 5.946 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.800 -15.339 7.493 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.292 -11.457 5.815 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.328 -14.413 9.179 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.818 -10.527 7.501 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.837 -12.004 9.188 1.00 0.00 H new ATOM 128 N LEU A 5 0.569 -12.414 3.104 1.00 0.00 N ATOM 129 CA LEU A 5 1.345 -11.309 2.550 1.00 0.00 C ATOM 130 C LEU A 5 1.177 -10.050 3.394 1.00 0.00 C ATOM 131 O LEU A 5 0.081 -9.750 3.868 1.00 0.00 O ATOM 132 CB LEU A 5 0.917 -11.032 1.108 1.00 0.00 C ATOM 133 CG LEU A 5 1.695 -11.776 0.022 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.125 -11.464 -1.353 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.173 -11.416 0.083 1.00 0.00 C ATOM 0 H LEU A 5 -0.440 -12.324 2.981 1.00 0.00 H new ATOM 0 HA LEU A 5 2.397 -11.594 2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.139 -11.285 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.007 -9.962 0.923 1.00 0.00 H new ATOM 0 HG LEU A 5 1.594 -12.847 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.692 -12.003 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.080 -11.773 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.194 -10.393 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.711 -11.955 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.293 -10.343 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.575 -11.692 1.058 1.00 0.00 H new ATOM 147 N ARG A 6 2.270 -9.315 3.574 1.00 0.00 N ATOM 148 CA ARG A 6 2.243 -8.087 4.359 1.00 0.00 C ATOM 149 C ARG A 6 2.644 -6.887 3.506 1.00 0.00 C ATOM 150 O ARG A 6 3.828 -6.576 3.373 1.00 0.00 O ATOM 151 CB ARG A 6 3.180 -8.206 5.563 1.00 0.00 C ATOM 152 CG ARG A 6 3.374 -6.899 6.315 1.00 0.00 C ATOM 153 CD ARG A 6 3.737 -7.143 7.771 1.00 0.00 C ATOM 154 NE ARG A 6 2.668 -7.825 8.496 1.00 0.00 N ATOM 155 CZ ARG A 6 2.705 -8.073 9.800 1.00 0.00 C ATOM 156 NH1 ARG A 6 3.754 -7.697 10.520 1.00 0.00 N ATOM 157 NH2 ARG A 6 1.693 -8.697 10.388 1.00 0.00 N ATOM 0 H ARG A 6 3.184 -9.549 3.187 1.00 0.00 H new ATOM 0 HA ARG A 6 1.224 -7.934 4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.783 -8.955 6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.151 -8.567 5.223 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.160 -6.315 5.836 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.460 -6.308 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.648 -7.740 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.953 -6.191 8.255 1.00 0.00 H new ATOM 0 HE ARG A 6 1.847 -8.128 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.534 -7.216 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.780 -7.889 11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.884 -8.987 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.723 -8.887 11.390 1.00 0.00 H new ATOM 171 N ILE A 7 1.651 -6.219 2.930 1.00 0.00 N ATOM 172 CA ILE A 7 1.900 -5.054 2.090 1.00 0.00 C ATOM 173 C ILE A 7 1.878 -3.769 2.911 1.00 0.00 C ATOM 174 O ILE A 7 1.085 -3.629 3.842 1.00 0.00 O ATOM 175 CB ILE A 7 0.863 -4.944 0.957 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.869 -6.215 0.105 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.146 -3.722 0.096 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.089 -7.277 0.598 1.00 0.00 C ATOM 0 H ILE A 7 0.666 -6.464 3.030 1.00 0.00 H new ATOM 0 HA ILE A 7 2.890 -5.186 1.653 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.126 -4.831 1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.614 -5.955 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.878 -6.627 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.404 -3.658 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.096 -2.824 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.141 -3.807 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.032 -8.149 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.179 -7.565 1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.105 -6.883 0.588 1.00 0.00 H new ATOM 190 N GLY A 8 2.752 -2.832 2.558 1.00 0.00 N ATOM 191 CA GLY A 8 2.815 -1.570 3.272 1.00 0.00 C ATOM 192 C GLY A 8 2.868 -0.378 2.337 1.00 0.00 C ATOM 193 O GLY A 8 3.759 -0.281 1.492 1.00 0.00 O ATOM 0 H GLY A 8 3.418 -2.924 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.945 -1.480 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.695 -1.563 3.915 1.00 0.00 H new ATOM 197 N LEU A 9 1.912 0.532 2.486 1.00 0.00 N ATOM 198 CA LEU A 9 1.852 1.724 1.647 1.00 0.00 C ATOM 199 C LEU A 9 2.485 2.919 2.353 1.00 0.00 C ATOM 200 O LEU A 9 2.337 3.088 3.563 1.00 0.00 O ATOM 201 CB LEU A 9 0.401 2.043 1.283 1.00 0.00 C ATOM 202 CG LEU A 9 -0.345 0.966 0.494 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.831 1.283 0.432 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.233 0.834 -0.907 1.00 0.00 C ATOM 0 H LEU A 9 1.167 0.467 3.180 1.00 0.00 H new ATOM 0 HA LEU A 9 2.414 1.525 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.149 2.237 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.387 2.965 0.703 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.219 0.013 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.346 0.506 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.237 1.325 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.978 2.245 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.310 0.063 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.138 1.785 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.286 0.559 -0.842 1.00 0.00 H new ATOM 216 N SER A 10 3.189 3.746 1.587 1.00 0.00 N ATOM 217 CA SER A 10 3.847 4.925 2.139 1.00 0.00 C ATOM 218 C SER A 10 4.255 5.889 1.029 1.00 0.00 C ATOM 219 O SER A 10 4.310 5.516 -0.142 1.00 0.00 O ATOM 220 CB SER A 10 5.076 4.516 2.952 1.00 0.00 C ATOM 221 OG SER A 10 5.921 3.659 2.204 1.00 0.00 O ATOM 0 H SER A 10 3.319 3.622 0.583 1.00 0.00 H new ATOM 0 HA SER A 10 3.139 5.432 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.629 5.406 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.760 4.013 3.866 1.00 0.00 H new ATOM 0 HG SER A 10 6.700 3.414 2.746 1.00 0.00 H new ATOM 227 N ASN A 11 4.541 7.130 1.407 1.00 0.00 N ATOM 228 CA ASN A 11 4.945 8.149 0.444 1.00 0.00 C ATOM 229 C ASN A 11 3.856 8.370 -0.602 1.00 0.00 C ATOM 230 O ASN A 11 4.118 8.327 -1.804 1.00 0.00 O ATOM 231 CB ASN A 11 6.251 7.744 -0.241 1.00 0.00 C ATOM 232 CG ASN A 11 7.218 7.067 0.712 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.726 7.688 1.645 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.476 5.785 0.479 1.00 0.00 N ATOM 0 H ASN A 11 4.501 7.455 2.373 1.00 0.00 H new ATOM 0 HA ASN A 11 5.101 9.083 0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.030 7.071 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.724 8.629 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.118 5.276 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.032 5.310 -0.307 1.00 0.00 H new ATOM 241 N PHE A 12 2.635 8.608 -0.136 1.00 0.00 N ATOM 242 CA PHE A 12 1.506 8.836 -1.030 1.00 0.00 C ATOM 243 C PHE A 12 1.559 10.240 -1.626 1.00 0.00 C ATOM 244 O PHE A 12 1.680 11.229 -0.903 1.00 0.00 O ATOM 245 CB PHE A 12 0.186 8.637 -0.282 1.00 0.00 C ATOM 246 CG PHE A 12 -1.023 9.013 -1.089 1.00 0.00 C ATOM 247 CD1 PHE A 12 -1.159 8.584 -2.399 1.00 0.00 C ATOM 248 CD2 PHE A 12 -2.024 9.797 -0.537 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.271 8.928 -3.144 1.00 0.00 C ATOM 250 CE2 PHE A 12 -3.138 10.144 -1.277 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.261 9.710 -2.583 1.00 0.00 C ATOM 0 H PHE A 12 2.402 8.648 0.856 1.00 0.00 H new ATOM 0 HA PHE A 12 1.567 8.112 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.102 7.593 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.202 9.231 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.387 7.973 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.932 10.140 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.366 8.586 -4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.912 10.754 -0.835 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.130 9.982 -3.164 1.00 0.00 H new ATOM 261 N ASP A 13 1.468 10.318 -2.949 1.00 0.00 N ATOM 262 CA ASP A 13 1.505 11.599 -3.644 1.00 0.00 C ATOM 263 C ASP A 13 0.268 11.780 -4.518 1.00 0.00 C ATOM 264 O ASP A 13 -0.114 10.876 -5.263 1.00 0.00 O ATOM 265 CB ASP A 13 2.769 11.704 -4.499 1.00 0.00 C ATOM 266 CG ASP A 13 4.015 11.279 -3.746 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.123 11.606 -2.545 1.00 0.00 O ATOM 268 OD2 ASP A 13 4.881 10.619 -4.356 1.00 0.00 O ATOM 0 H ASP A 13 1.368 9.509 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 13 1.516 12.390 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.656 11.083 -5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.888 12.732 -4.842 1.00 0.00 H new ATOM 273 N CYS A 14 -0.352 12.950 -4.422 1.00 0.00 N ATOM 274 CA CYS A 14 -1.548 13.248 -5.203 1.00 0.00 C ATOM 275 C CYS A 14 -1.298 14.412 -6.157 1.00 0.00 C ATOM 276 O CYS A 14 -1.812 14.434 -7.274 1.00 0.00 O ATOM 277 CB CYS A 14 -2.719 13.575 -4.276 1.00 0.00 C ATOM 278 SG CYS A 14 -4.335 13.536 -5.087 1.00 0.00 S ATOM 0 H CYS A 14 -0.047 13.708 -3.812 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.797 12.366 -5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.722 12.866 -3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.563 14.565 -3.847 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.262 13.824 -4.222 1.00 0.00 H new ATOM 431 N PRO A 27 -6.991 12.660 4.287 1.00 0.00 N ATOM 432 CA PRO A 27 -7.719 11.711 3.439 1.00 0.00 C ATOM 433 C PRO A 27 -7.391 10.261 3.778 1.00 0.00 C ATOM 434 O PRO A 27 -6.390 9.978 4.437 1.00 0.00 O ATOM 435 CB PRO A 27 -7.234 12.052 2.028 1.00 0.00 C ATOM 436 CG PRO A 27 -5.890 12.665 2.227 1.00 0.00 C ATOM 437 CD PRO A 27 -5.959 13.397 3.538 1.00 0.00 C ATOM 0 HA PRO A 27 -8.798 11.796 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.174 11.160 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.915 12.743 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.112 11.902 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.647 13.347 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.000 13.384 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.233 14.443 3.400 1.00 0.00 H new ATOM 445 N TYR A 28 -8.241 9.346 3.325 1.00 0.00 N ATOM 446 CA TYR A 28 -8.043 7.924 3.582 1.00 0.00 C ATOM 447 C TYR A 28 -8.130 7.119 2.289 1.00 0.00 C ATOM 448 O TYR A 28 -8.561 7.630 1.255 1.00 0.00 O ATOM 449 CB TYR A 28 -9.082 7.416 4.584 1.00 0.00 C ATOM 450 CG TYR A 28 -10.494 7.852 4.264 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.309 7.086 3.440 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.014 9.029 4.789 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.599 7.481 3.145 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.304 9.431 4.500 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.092 8.654 3.678 1.00 0.00 C ATOM 456 OH TYR A 28 -14.378 9.049 3.388 1.00 0.00 O ATOM 0 H TYR A 28 -9.074 9.564 2.778 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.047 7.792 4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.045 6.327 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.818 7.771 5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.927 6.166 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.399 9.640 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.218 6.875 2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.693 10.349 4.916 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.571 9.896 3.843 1.00 0.00 H new ATOM 466 N CYS A 29 -7.719 5.858 2.357 1.00 0.00 N ATOM 467 CA CYS A 29 -7.750 4.980 1.193 1.00 0.00 C ATOM 468 C CYS A 29 -8.448 3.665 1.522 1.00 0.00 C ATOM 469 O CYS A 29 -8.244 3.093 2.592 1.00 0.00 O ATOM 470 CB CYS A 29 -6.329 4.707 0.696 1.00 0.00 C ATOM 471 SG CYS A 29 -5.516 6.145 -0.039 1.00 0.00 S ATOM 0 H CYS A 29 -7.360 5.421 3.206 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.313 5.482 0.406 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.726 4.349 1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.361 3.905 -0.041 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.814 6.757 0.868 1.00 0.00 H new ATOM 477 N ALA A 30 -9.274 3.191 0.595 1.00 0.00 N ATOM 478 CA ALA A 30 -10.003 1.943 0.786 1.00 0.00 C ATOM 479 C ALA A 30 -9.387 0.817 -0.037 1.00 0.00 C ATOM 480 O ALA A 30 -9.082 0.992 -1.217 1.00 0.00 O ATOM 481 CB ALA A 30 -11.468 2.126 0.421 1.00 0.00 C ATOM 0 H ALA A 30 -9.455 3.653 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 30 -9.935 1.668 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.000 1.186 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.908 2.895 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.548 2.428 -0.623 1.00 0.00 H new ATOM 487 N VAL A 31 -9.207 -0.340 0.592 1.00 0.00 N ATOM 488 CA VAL A 31 -8.629 -1.496 -0.083 1.00 0.00 C ATOM 489 C VAL A 31 -9.670 -2.591 -0.287 1.00 0.00 C ATOM 490 O VAL A 31 -10.293 -3.056 0.668 1.00 0.00 O ATOM 491 CB VAL A 31 -7.442 -2.073 0.711 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.845 -3.269 -0.015 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.388 -1.002 0.947 1.00 0.00 C ATOM 0 H VAL A 31 -9.453 -0.502 1.569 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.274 -1.151 -1.054 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.806 -2.412 1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.008 -3.663 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.605 -4.043 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.494 -2.959 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.557 -1.427 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.025 -0.631 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.825 -0.179 1.513 1.00 0.00 H new ATOM 503 N LEU A 32 -9.852 -3.000 -1.538 1.00 0.00 N ATOM 504 CA LEU A 32 -10.818 -4.042 -1.869 1.00 0.00 C ATOM 505 C LEU A 32 -10.114 -5.359 -2.175 1.00 0.00 C ATOM 506 O LEU A 32 -9.239 -5.422 -3.039 1.00 0.00 O ATOM 507 CB LEU A 32 -11.669 -3.615 -3.067 1.00 0.00 C ATOM 508 CG LEU A 32 -12.630 -2.450 -2.826 1.00 0.00 C ATOM 509 CD1 LEU A 32 -11.890 -1.123 -2.905 1.00 0.00 C ATOM 510 CD2 LEU A 32 -13.773 -2.486 -3.829 1.00 0.00 C ATOM 0 H LEU A 32 -9.344 -2.626 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.466 -4.190 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.000 -3.345 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.249 -4.475 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.049 -2.550 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.590 -0.305 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.107 -1.098 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.443 -1.014 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.447 -1.650 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.372 -2.411 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.320 -3.423 -3.724 1.00 0.00 H new ATOM 522 N VAL A 33 -10.502 -6.412 -1.462 1.00 0.00 N ATOM 523 CA VAL A 33 -9.911 -7.730 -1.660 1.00 0.00 C ATOM 524 C VAL A 33 -10.950 -8.731 -2.151 1.00 0.00 C ATOM 525 O VAL A 33 -11.795 -9.192 -1.385 1.00 0.00 O ATOM 526 CB VAL A 33 -9.277 -8.261 -0.360 1.00 0.00 C ATOM 527 CG1 VAL A 33 -8.565 -9.581 -0.614 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.320 -7.233 0.224 1.00 0.00 C ATOM 0 H VAL A 33 -11.223 -6.378 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.134 -7.618 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.071 -8.438 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.123 -9.941 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.281 -10.315 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.780 -9.434 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.881 -7.624 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.529 -7.023 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.863 -6.314 0.445 1.00 0.00 H new ATOM 538 N LYS A 34 -10.882 -9.063 -3.436 1.00 0.00 N ATOM 539 CA LYS A 34 -11.815 -10.012 -4.032 1.00 0.00 C ATOM 540 C LYS A 34 -11.189 -11.399 -4.137 1.00 0.00 C ATOM 541 O LYS A 34 -9.995 -11.570 -3.894 1.00 0.00 O ATOM 542 CB LYS A 34 -12.248 -9.530 -5.419 1.00 0.00 C ATOM 543 CG LYS A 34 -12.812 -8.120 -5.424 1.00 0.00 C ATOM 544 CD LYS A 34 -11.727 -7.085 -5.673 1.00 0.00 C ATOM 545 CE LYS A 34 -12.318 -5.743 -6.074 1.00 0.00 C ATOM 546 NZ LYS A 34 -12.944 -5.793 -7.424 1.00 0.00 N ATOM 0 H LYS A 34 -10.190 -8.689 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.691 -10.076 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.392 -9.572 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.999 -10.214 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.579 -8.037 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.296 -7.918 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.125 -6.964 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.059 -7.439 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.064 -5.441 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.535 -4.984 -6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.043 -4.827 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.344 -6.351 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.883 -6.236 -7.355 1.00 0.00 H new ATOM 809 N PRO A 50 -15.367 -7.148 3.469 1.00 0.00 N ATOM 810 CA PRO A 50 -15.780 -5.756 3.269 1.00 0.00 C ATOM 811 C PRO A 50 -14.596 -4.831 3.006 1.00 0.00 C ATOM 812 O PRO A 50 -13.440 -5.239 3.117 1.00 0.00 O ATOM 813 CB PRO A 50 -16.458 -5.393 4.592 1.00 0.00 C ATOM 814 CG PRO A 50 -15.844 -6.308 5.595 1.00 0.00 C ATOM 815 CD PRO A 50 -15.548 -7.587 4.862 1.00 0.00 C ATOM 0 HA PRO A 50 -16.426 -5.645 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.286 -4.348 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.537 -5.534 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.933 -5.877 6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.523 -6.484 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.653 -8.074 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.366 -8.302 4.955 1.00 0.00 H new ATOM 823 N THR A 51 -14.892 -3.582 2.658 1.00 0.00 N ATOM 824 CA THR A 51 -13.852 -2.600 2.380 1.00 0.00 C ATOM 825 C THR A 51 -12.838 -2.535 3.516 1.00 0.00 C ATOM 826 O THR A 51 -13.206 -2.390 4.681 1.00 0.00 O ATOM 827 CB THR A 51 -14.449 -1.197 2.159 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.725 -1.303 1.517 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.520 -0.340 1.313 1.00 0.00 C ATOM 0 H THR A 51 -15.844 -3.227 2.562 1.00 0.00 H new ATOM 0 HA THR A 51 -13.350 -2.922 1.467 1.00 0.00 H new ATOM 0 HB THR A 51 -14.570 -0.721 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.099 -0.407 1.382 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.963 0.646 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.560 -0.237 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.370 -0.814 0.343 1.00 0.00 H new ATOM 837 N MET A 52 -11.560 -2.643 3.169 1.00 0.00 N ATOM 838 CA MET A 52 -10.492 -2.595 4.161 1.00 0.00 C ATOM 839 C MET A 52 -9.950 -1.176 4.307 1.00 0.00 C ATOM 840 O MET A 52 -10.068 -0.359 3.394 1.00 0.00 O ATOM 841 CB MET A 52 -9.361 -3.548 3.771 1.00 0.00 C ATOM 842 CG MET A 52 -9.671 -5.008 4.057 1.00 0.00 C ATOM 843 SD MET A 52 -8.189 -6.033 4.122 1.00 0.00 S ATOM 844 CE MET A 52 -7.304 -5.440 2.682 1.00 0.00 C ATOM 0 H MET A 52 -11.239 -2.764 2.209 1.00 0.00 H new ATOM 0 HA MET A 52 -10.906 -2.908 5.120 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.149 -3.432 2.708 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.456 -3.265 4.309 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.202 -5.083 5.006 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.340 -5.391 3.286 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.697 -6.246 2.270 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.017 -5.103 1.930 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.658 -4.610 2.968 1.00 0.00 H new ATOM 854 N TYR A 53 -9.357 -0.891 5.461 1.00 0.00 N ATOM 855 CA TYR A 53 -8.799 0.430 5.727 1.00 0.00 C ATOM 856 C TYR A 53 -7.422 0.319 6.376 1.00 0.00 C ATOM 857 O TYR A 53 -7.270 0.395 7.595 1.00 0.00 O ATOM 858 CB TYR A 53 -9.738 1.230 6.631 1.00 0.00 C ATOM 859 CG TYR A 53 -10.737 2.074 5.871 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.714 1.483 5.079 1.00 0.00 C ATOM 861 CD2 TYR A 53 -10.703 3.460 5.944 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.628 2.249 4.383 1.00 0.00 C ATOM 863 CE2 TYR A 53 -11.614 4.235 5.252 1.00 0.00 C ATOM 864 CZ TYR A 53 -12.574 3.625 4.473 1.00 0.00 C ATOM 865 OH TYR A 53 -13.483 4.392 3.780 1.00 0.00 O ATOM 0 H TYR A 53 -9.250 -1.556 6.227 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.691 0.950 4.775 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.277 0.541 7.281 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.144 1.878 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.759 0.406 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.951 3.941 6.552 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.381 1.774 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.574 5.312 5.321 1.00 0.00 H new ATOM 0 HH TYR A 53 -13.105 5.282 3.619 1.00 0.00 H new ATOM 875 N PRO A 54 -6.389 0.135 5.541 1.00 0.00 N ATOM 876 CA PRO A 54 -5.049 0.024 6.125 1.00 0.00 C ATOM 877 C PRO A 54 -4.557 1.348 6.701 1.00 0.00 C ATOM 878 O PRO A 54 -5.055 2.424 6.370 1.00 0.00 O ATOM 879 CB PRO A 54 -4.179 -0.400 4.940 1.00 0.00 C ATOM 880 CG PRO A 54 -4.904 0.103 3.739 1.00 0.00 C ATOM 881 CD PRO A 54 -6.368 0.019 4.073 1.00 0.00 C ATOM 0 HA PRO A 54 -5.025 -0.676 6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.180 0.030 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.058 -1.483 4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.614 1.128 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.669 -0.499 2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.935 0.820 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.804 -0.922 3.738 1.00 0.00 H new ATOM 889 N PRO A 55 -3.552 1.272 7.585 1.00 0.00 N ATOM 890 CA PRO A 55 -3.050 2.524 8.160 1.00 0.00 C ATOM 891 C PRO A 55 -2.302 3.372 7.137 1.00 0.00 C ATOM 892 O PRO A 55 -2.282 3.054 5.948 1.00 0.00 O ATOM 893 CB PRO A 55 -2.099 2.052 9.262 1.00 0.00 C ATOM 894 CG PRO A 55 -1.662 0.695 8.830 1.00 0.00 C ATOM 895 CD PRO A 55 -2.832 0.096 8.101 1.00 0.00 C ATOM 0 HA PRO A 55 -3.858 3.161 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.249 2.727 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.600 2.017 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.787 0.754 8.182 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.382 0.084 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.509 -0.563 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.458 -0.498 8.766 1.00 0.00 H new ATOM 903 N TRP A 56 -1.687 4.451 7.608 1.00 0.00 N ATOM 904 CA TRP A 56 -0.936 5.345 6.733 1.00 0.00 C ATOM 905 C TRP A 56 0.564 5.203 6.968 1.00 0.00 C ATOM 906 O TRP A 56 1.028 5.229 8.108 1.00 0.00 O ATOM 907 CB TRP A 56 -1.366 6.795 6.962 1.00 0.00 C ATOM 908 CG TRP A 56 -2.562 7.195 6.153 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.811 7.484 6.624 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.622 7.349 4.731 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.644 7.808 5.580 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.939 7.733 4.408 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.692 7.201 3.698 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.345 7.969 3.098 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -2.097 7.436 2.398 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.413 7.817 2.107 1.00 0.00 C ATOM 0 H TRP A 56 -1.693 4.728 8.590 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.151 5.068 5.701 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.588 6.938 8.020 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.534 7.456 6.718 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.101 7.461 7.664 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.628 8.063 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.675 6.908 3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.360 8.262 2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.387 7.324 1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.698 7.994 1.081 1.00 0.00 H new ATOM 927 N ASP A 57 1.316 5.053 5.883 1.00 0.00 N ATOM 928 CA ASP A 57 2.764 4.908 5.972 1.00 0.00 C ATOM 929 C ASP A 57 3.139 3.736 6.873 1.00 0.00 C ATOM 930 O ASP A 57 4.209 3.726 7.482 1.00 0.00 O ATOM 931 CB ASP A 57 3.396 6.197 6.501 1.00 0.00 C ATOM 932 CG ASP A 57 3.223 7.361 5.546 1.00 0.00 C ATOM 933 OD1 ASP A 57 2.613 7.164 4.474 1.00 0.00 O ATOM 934 OD2 ASP A 57 3.697 8.470 5.870 1.00 0.00 O ATOM 0 H ASP A 57 0.947 5.029 4.932 1.00 0.00 H new ATOM 0 HA ASP A 57 3.146 4.710 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.948 6.450 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.459 6.031 6.678 1.00 0.00 H new ATOM 939 N SER A 58 2.251 2.751 6.953 1.00 0.00 N ATOM 940 CA SER A 58 2.486 1.575 7.784 1.00 0.00 C ATOM 941 C SER A 58 2.218 0.294 7.001 1.00 0.00 C ATOM 942 O SER A 58 1.771 0.334 5.854 1.00 0.00 O ATOM 943 CB SER A 58 1.600 1.620 9.031 1.00 0.00 C ATOM 944 OG SER A 58 2.253 2.288 10.096 1.00 0.00 O ATOM 0 H SER A 58 1.362 2.743 6.453 1.00 0.00 H new ATOM 0 HA SER A 58 3.532 1.580 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.664 2.128 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.344 0.605 9.336 1.00 0.00 H new ATOM 0 HG SER A 58 1.666 2.305 10.880 1.00 0.00 H new ATOM 950 N THR A 59 2.493 -0.845 7.629 1.00 0.00 N ATOM 951 CA THR A 59 2.283 -2.139 6.993 1.00 0.00 C ATOM 952 C THR A 59 1.049 -2.835 7.555 1.00 0.00 C ATOM 953 O THR A 59 0.755 -2.732 8.747 1.00 0.00 O ATOM 954 CB THR A 59 3.505 -3.059 7.175 1.00 0.00 C ATOM 955 OG1 THR A 59 4.079 -2.861 8.472 1.00 0.00 O ATOM 956 CG2 THR A 59 4.551 -2.788 6.105 1.00 0.00 C ATOM 0 H THR A 59 2.862 -0.897 8.578 1.00 0.00 H new ATOM 0 HA THR A 59 2.136 -1.948 5.930 1.00 0.00 H new ATOM 0 HB THR A 59 3.171 -4.092 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.854 -3.451 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.404 -3.450 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.120 -2.969 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.880 -1.751 6.172 1.00 0.00 H new ATOM 964 N PHE A 60 0.330 -3.544 6.692 1.00 0.00 N ATOM 965 CA PHE A 60 -0.874 -4.257 7.103 1.00 0.00 C ATOM 966 C PHE A 60 -0.820 -5.716 6.660 1.00 0.00 C ATOM 967 O PHE A 60 0.149 -6.152 6.038 1.00 0.00 O ATOM 968 CB PHE A 60 -2.117 -3.581 6.521 1.00 0.00 C ATOM 969 CG PHE A 60 -2.101 -3.486 5.022 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.612 -4.512 4.244 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.574 -2.370 4.391 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.599 -4.428 2.864 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.559 -2.280 3.012 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.071 -3.311 2.247 1.00 0.00 C ATOM 0 H PHE A 60 0.560 -3.640 5.703 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.929 -4.228 8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.002 -4.136 6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.205 -2.579 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.026 -5.388 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.171 -1.562 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.001 -5.235 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.147 -1.404 2.532 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.058 -3.243 1.169 1.00 0.00 H new ATOM 984 N ASP A 61 -1.867 -6.466 6.984 1.00 0.00 N ATOM 985 CA ASP A 61 -1.941 -7.876 6.620 1.00 0.00 C ATOM 986 C ASP A 61 -2.921 -8.090 5.471 1.00 0.00 C ATOM 987 O ASP A 61 -3.942 -7.409 5.378 1.00 0.00 O ATOM 988 CB ASP A 61 -2.360 -8.715 7.828 1.00 0.00 C ATOM 989 CG ASP A 61 -2.854 -10.093 7.431 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.071 -10.240 7.192 1.00 0.00 O ATOM 991 OD2 ASP A 61 -2.025 -11.024 7.361 1.00 0.00 O ATOM 0 H ASP A 61 -2.677 -6.121 7.499 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.951 -8.194 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.514 -8.817 8.507 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.146 -8.194 8.374 1.00 0.00 H new ATOM 996 N ALA A 62 -2.602 -9.039 4.597 1.00 0.00 N ATOM 997 CA ALA A 62 -3.455 -9.343 3.455 1.00 0.00 C ATOM 998 C ALA A 62 -3.440 -10.835 3.140 1.00 0.00 C ATOM 999 O ALA A 62 -2.414 -11.385 2.738 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.015 -8.541 2.239 1.00 0.00 C ATOM 0 H ALA A 62 -1.759 -9.610 4.658 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.477 -9.063 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.661 -8.778 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.084 -7.476 2.461 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.984 -8.794 1.990 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.584 -11.486 3.327 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.702 -12.916 3.063 1.00 0.00 C ATOM 1008 C HIS A 63 -4.321 -13.235 1.620 1.00 0.00 C ATOM 1009 O HIS A 63 -4.341 -12.359 0.755 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.127 -13.392 3.344 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.391 -13.671 4.791 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.969 -12.751 5.642 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -6.154 -14.774 5.538 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -7.074 -13.277 6.849 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -6.588 -14.504 6.813 1.00 0.00 N ATOM 0 H HIS A 63 -5.442 -11.046 3.660 1.00 0.00 H new ATOM 0 HA HIS A 63 -4.015 -13.441 3.726 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.829 -12.635 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.319 -14.297 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.707 -15.695 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.487 -12.787 7.718 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.542 -15.147 7.603 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.975 -14.493 1.369 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.591 -14.927 0.032 1.00 0.00 C ATOM 1025 C ILE A 64 -4.543 -15.995 -0.495 1.00 0.00 C ATOM 1026 O ILE A 64 -5.092 -16.784 0.273 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.154 -15.480 0.011 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.200 -14.510 0.710 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.704 -15.734 -1.421 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.225 -15.012 0.784 1.00 0.00 C ATOM 0 H ILE A 64 -3.953 -15.230 2.074 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.643 -14.049 -0.612 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.138 -16.427 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.214 -13.556 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.563 -14.321 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.686 -16.125 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.370 -16.459 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.733 -14.800 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.845 -14.273 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.252 -15.951 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.606 -15.174 -0.224 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.732 -16.015 -1.810 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.617 -16.988 -2.440 1.00 0.00 C ATOM 1044 C ASN A 65 -5.417 -17.006 -3.953 1.00 0.00 C ATOM 1045 O ASN A 65 -4.787 -16.112 -4.518 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.077 -16.669 -2.111 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.946 -17.911 -2.072 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.477 -19.019 -2.334 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -9.220 -17.732 -1.744 1.00 0.00 N ATOM 0 H ASN A 65 -4.284 -15.369 -2.460 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.370 -17.974 -2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.127 -16.164 -1.147 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.471 -15.976 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.853 -18.531 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.566 -16.796 -1.535 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.958 -18.031 -4.603 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.842 -18.166 -6.050 1.00 0.00 C ATOM 1058 C LYS A 66 -6.701 -17.128 -6.765 1.00 0.00 C ATOM 1059 O LYS A 66 -7.862 -16.921 -6.413 1.00 0.00 O ATOM 1060 CB LYS A 66 -6.255 -19.574 -6.486 1.00 0.00 C ATOM 1061 CG LYS A 66 -6.265 -19.765 -7.993 1.00 0.00 C ATOM 1062 CD LYS A 66 -4.866 -19.663 -8.577 1.00 0.00 C ATOM 1063 CE LYS A 66 -4.906 -19.378 -10.071 1.00 0.00 C ATOM 1064 NZ LYS A 66 -5.132 -20.617 -10.866 1.00 0.00 N ATOM 0 H LYS A 66 -6.481 -18.780 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.800 -17.998 -6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.573 -20.298 -6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.249 -19.790 -6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.691 -20.739 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.908 -19.013 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.315 -18.871 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.327 -20.593 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.699 -18.661 -10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.968 -18.916 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.153 -20.381 -11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.362 -21.292 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.039 -21.045 -10.592 1.00 0.00 H new ATOM 1078 N GLY A 67 -6.124 -16.479 -7.771 1.00 0.00 N ATOM 1079 CA GLY A 67 -6.852 -15.471 -8.519 1.00 0.00 C ATOM 1080 C GLY A 67 -7.224 -14.273 -7.668 1.00 0.00 C ATOM 1081 O GLY A 67 -8.189 -13.568 -7.966 1.00 0.00 O ATOM 0 H GLY A 67 -5.165 -16.633 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.245 -15.140 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.758 -15.914 -8.933 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.459 -14.043 -6.606 1.00 0.00 N ATOM 1086 CA ARG A 68 -6.715 -12.924 -5.708 1.00 0.00 C ATOM 1087 C ARG A 68 -6.369 -11.598 -6.379 1.00 0.00 C ATOM 1088 O ARG A 68 -5.316 -11.462 -7.003 1.00 0.00 O ATOM 1089 CB ARG A 68 -5.908 -13.082 -4.419 1.00 0.00 C ATOM 1090 CG ARG A 68 -6.444 -12.258 -3.259 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.457 -13.042 -2.440 1.00 0.00 C ATOM 1092 NE ARG A 68 -7.573 -12.530 -1.078 1.00 0.00 N ATOM 1093 CZ ARG A 68 -8.512 -12.921 -0.223 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.411 -13.824 -0.589 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -8.553 -12.409 1.000 1.00 0.00 N ATOM 0 H ARG A 68 -5.657 -14.617 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.778 -12.922 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.899 -14.134 -4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.874 -12.795 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.618 -11.949 -2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.909 -11.349 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.430 -12.997 -2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.164 -14.091 -2.409 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.896 -11.834 -0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.383 -14.220 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.131 -14.123 0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.863 -11.714 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.274 -12.710 1.655 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.262 -10.622 -6.247 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.051 -9.307 -6.840 1.00 0.00 C ATOM 1111 C VAL A 69 -7.343 -8.198 -5.835 1.00 0.00 C ATOM 1112 O VAL A 69 -8.400 -8.180 -5.205 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.936 -9.103 -8.084 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.515 -10.049 -9.199 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.403 -9.299 -7.732 1.00 0.00 C ATOM 0 H VAL A 69 -8.139 -10.718 -5.734 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.003 -9.258 -7.137 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.805 -8.081 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.151 -9.891 -10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.477 -9.855 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.615 -11.080 -8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.014 -9.151 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.554 -10.309 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.694 -8.577 -6.969 1.00 0.00 H new ATOM 1125 N MET A 70 -6.399 -7.274 -5.691 1.00 0.00 N ATOM 1126 CA MET A 70 -6.556 -6.160 -4.763 1.00 0.00 C ATOM 1127 C MET A 70 -6.693 -4.840 -5.516 1.00 0.00 C ATOM 1128 O MET A 70 -6.072 -4.646 -6.561 1.00 0.00 O ATOM 1129 CB MET A 70 -5.365 -6.093 -3.806 1.00 0.00 C ATOM 1130 CG MET A 70 -5.342 -4.837 -2.950 1.00 0.00 C ATOM 1131 SD MET A 70 -4.113 -4.916 -1.633 1.00 0.00 S ATOM 1132 CE MET A 70 -2.612 -5.140 -2.584 1.00 0.00 C ATOM 0 H MET A 70 -5.518 -7.274 -6.205 1.00 0.00 H new ATOM 0 HA MET A 70 -7.466 -6.326 -4.187 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.384 -6.966 -3.154 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.442 -6.146 -4.384 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.135 -3.974 -3.583 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.328 -4.682 -2.512 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.750 -5.100 -1.918 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.639 -6.108 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.532 -4.349 -3.329 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.508 -3.939 -4.979 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.725 -2.639 -5.602 1.00 0.00 C ATOM 1144 C GLN A 71 -7.597 -1.516 -4.578 1.00 0.00 C ATOM 1145 O GLN A 71 -8.228 -1.551 -3.522 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.105 -2.589 -6.261 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.416 -1.256 -6.922 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.653 -1.313 -7.796 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -11.309 -2.351 -7.897 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -10.979 -0.196 -8.435 1.00 0.00 N ATOM 0 H GLN A 71 -8.029 -4.085 -4.114 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.960 -2.499 -6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.170 -3.380 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.865 -2.798 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.554 -0.497 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.563 -0.946 -7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.407 0.641 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.801 -0.175 -9.038 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.776 -0.521 -4.898 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.566 0.612 -4.006 1.00 0.00 C ATOM 1161 C ILE A 72 -7.282 1.857 -4.520 1.00 0.00 C ATOM 1162 O ILE A 72 -7.002 2.336 -5.619 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.068 0.928 -3.839 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.324 -0.296 -3.300 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.877 2.120 -2.914 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.819 -0.142 -3.312 1.00 0.00 C ATOM 0 H ILE A 72 -6.246 -0.477 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.980 0.331 -3.038 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.654 1.181 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.653 -0.491 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.597 -1.168 -3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.813 2.330 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.378 2.991 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.303 1.894 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.358 -1.047 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.478 0.022 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.535 0.710 -2.694 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.204 2.376 -3.717 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.958 3.567 -4.090 1.00 0.00 C ATOM 1180 C ILE A 73 -8.749 4.689 -3.078 1.00 0.00 C ATOM 1181 O ILE A 73 -9.053 4.537 -1.895 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.464 3.267 -4.203 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.711 2.166 -5.236 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -11.229 4.529 -4.573 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -12.132 1.646 -5.238 1.00 0.00 C ATOM 0 H ILE A 73 -8.447 1.991 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.585 3.885 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.823 2.918 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.472 2.549 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.030 1.337 -5.042 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.292 4.301 -4.649 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.075 5.287 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.869 4.905 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.234 0.868 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.369 1.232 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.818 2.463 -5.463 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.229 5.816 -3.553 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.982 6.966 -2.691 1.00 0.00 C ATOM 1199 C VAL A 74 -9.200 7.881 -2.632 1.00 0.00 C ATOM 1200 O VAL A 74 -9.400 8.724 -3.507 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.766 7.779 -3.173 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.407 8.856 -2.161 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.580 6.861 -3.430 1.00 0.00 C ATOM 0 H VAL A 74 -7.971 5.957 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.776 6.575 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.028 8.269 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.546 9.420 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.254 9.530 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.164 8.391 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.729 7.452 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.316 6.341 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.844 6.131 -4.195 1.00 0.00 H new ATOM 1213 N LYS A 75 -10.012 7.711 -1.595 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.211 8.522 -1.419 1.00 0.00 C ATOM 1215 C LYS A 75 -11.099 9.397 -0.175 1.00 0.00 C ATOM 1216 O LYS A 75 -11.005 8.893 0.944 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.447 7.626 -1.316 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.268 6.448 -0.373 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.471 5.521 -0.405 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.475 4.655 -1.655 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.442 3.527 -1.545 1.00 0.00 N ATOM 0 H LYS A 75 -9.862 7.018 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.311 9.170 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.293 8.225 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.697 7.251 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.372 5.892 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.116 6.813 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.465 4.884 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.387 6.111 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.728 5.267 -2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.474 4.260 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.415 2.960 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.186 2.928 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.401 3.904 -1.407 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.713 10.106 -6.935 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.461 10.814 -7.176 1.00 0.00 C ATOM 1327 C ILE A 82 -8.538 10.005 -8.081 1.00 0.00 C ATOM 1328 O ILE A 82 -7.990 10.526 -9.052 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.727 11.125 -5.859 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.675 11.807 -4.870 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.511 12.000 -6.124 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -9.059 12.048 -3.510 1.00 0.00 C ATOM 0 HA ILE A 82 -9.719 11.752 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.387 10.187 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.998 12.761 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.567 11.192 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.003 12.211 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.828 11.480 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.829 12.936 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.788 12.534 -2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.761 11.096 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.183 12.688 -3.616 1.00 0.00 H new ATOM 1344 N SER A 83 -8.371 8.727 -7.756 1.00 0.00 N ATOM 1345 CA SER A 83 -7.512 7.845 -8.538 1.00 0.00 C ATOM 1346 C SER A 83 -7.791 6.382 -8.207 1.00 0.00 C ATOM 1347 O SER A 83 -8.466 6.075 -7.226 1.00 0.00 O ATOM 1348 CB SER A 83 -6.040 8.168 -8.275 1.00 0.00 C ATOM 1349 OG SER A 83 -5.674 7.834 -6.948 1.00 0.00 O ATOM 0 H SER A 83 -8.819 8.279 -6.957 1.00 0.00 H new ATOM 0 HA SER A 83 -7.729 8.008 -9.594 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.413 7.619 -8.978 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.861 9.229 -8.449 1.00 0.00 H new ATOM 0 HG SER A 83 -4.782 8.191 -6.755 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.265 5.484 -9.035 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.458 4.053 -8.831 1.00 0.00 C ATOM 1357 C GLU A 84 -6.334 3.254 -9.486 1.00 0.00 C ATOM 1358 O GLU A 84 -5.643 3.748 -10.377 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.809 3.612 -9.397 1.00 0.00 C ATOM 1360 CG GLU A 84 -8.837 3.533 -10.914 1.00 0.00 C ATOM 1361 CD GLU A 84 -8.623 4.882 -11.573 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -9.167 5.883 -11.062 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -7.913 4.936 -12.598 1.00 0.00 O ATOM 0 H GLU A 84 -6.703 5.722 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.441 3.859 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.064 2.635 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.578 4.309 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.066 2.841 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.795 3.124 -11.235 1.00 0.00 H new ATOM 1370 N THR A 85 -6.157 2.016 -9.036 1.00 0.00 N ATOM 1371 CA THR A 85 -5.118 1.148 -9.576 1.00 0.00 C ATOM 1372 C THR A 85 -5.493 -0.321 -9.420 1.00 0.00 C ATOM 1373 O THR A 85 -6.295 -0.681 -8.558 1.00 0.00 O ATOM 1374 CB THR A 85 -3.764 1.397 -8.885 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.751 0.582 -9.485 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.851 1.093 -7.397 1.00 0.00 C ATOM 0 H THR A 85 -6.720 1.592 -8.299 1.00 0.00 H new ATOM 0 HA THR A 85 -5.026 1.386 -10.636 1.00 0.00 H new ATOM 0 HB THR A 85 -3.506 2.449 -9.010 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.893 0.747 -9.041 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.883 1.276 -6.931 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.602 1.735 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.130 0.049 -7.255 1.00 0.00 H new ATOM 1384 N THR A 86 -4.906 -1.169 -10.260 1.00 0.00 N ATOM 1385 CA THR A 86 -5.179 -2.600 -10.216 1.00 0.00 C ATOM 1386 C THR A 86 -3.924 -3.388 -9.861 1.00 0.00 C ATOM 1387 O THR A 86 -2.823 -3.053 -10.299 1.00 0.00 O ATOM 1388 CB THR A 86 -5.728 -3.109 -11.562 1.00 0.00 C ATOM 1389 OG1 THR A 86 -6.809 -2.278 -11.996 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.204 -4.549 -11.443 1.00 0.00 C ATOM 0 H THR A 86 -4.239 -0.889 -10.979 1.00 0.00 H new ATOM 0 HA THR A 86 -5.932 -2.755 -9.443 1.00 0.00 H new ATOM 0 HB THR A 86 -4.923 -3.069 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.151 -2.607 -12.853 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.587 -4.886 -12.406 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.371 -5.184 -11.142 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.995 -4.610 -10.696 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.096 -4.439 -9.065 1.00 0.00 N ATOM 1399 CA VAL A 87 -2.976 -5.277 -8.652 1.00 0.00 C ATOM 1400 C VAL A 87 -3.446 -6.680 -8.285 1.00 0.00 C ATOM 1401 O VAL A 87 -4.491 -6.851 -7.659 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.231 -4.666 -7.451 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.184 -4.446 -6.286 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.067 -5.555 -7.038 1.00 0.00 C ATOM 0 H VAL A 87 -5.000 -4.730 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.294 -5.336 -9.501 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.831 -3.697 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.639 -4.014 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.980 -3.767 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.617 -5.400 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.552 -5.108 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.442 -6.539 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.372 -5.655 -7.872 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.665 -7.681 -8.678 1.00 0.00 N ATOM 1415 CA GLU A 88 -3.002 -9.070 -8.389 1.00 0.00 C ATOM 1416 C GLU A 88 -2.294 -9.551 -7.126 1.00 0.00 C ATOM 1417 O GLU A 88 -1.066 -9.508 -7.034 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.624 -9.966 -9.571 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.617 -9.910 -10.720 1.00 0.00 C ATOM 1420 CD GLU A 88 -3.047 -10.464 -12.011 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -2.178 -9.796 -12.610 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.470 -11.565 -12.422 1.00 0.00 O ATOM 0 H GLU A 88 -1.796 -7.556 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.078 -9.129 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.640 -9.673 -9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.541 -10.996 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.511 -10.473 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.927 -8.877 -10.878 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.076 -10.008 -6.154 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.525 -10.497 -4.895 1.00 0.00 C ATOM 1431 C LEU A 89 -1.890 -11.871 -5.075 1.00 0.00 C ATOM 1432 O LEU A 89 -0.900 -12.200 -4.420 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.621 -10.565 -3.829 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.855 -9.285 -3.025 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.125 -9.401 -2.196 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.659 -8.989 -2.132 1.00 0.00 C ATOM 0 H LEU A 89 -4.093 -10.050 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.752 -9.800 -4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.557 -10.841 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.374 -11.367 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.975 -8.457 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.276 -8.481 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.977 -9.565 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.034 -10.240 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.844 -8.075 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.507 -9.818 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.768 -8.862 -2.747 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.463 -12.669 -5.969 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.952 -14.009 -6.236 1.00 0.00 C ATOM 1450 C TYR A 90 -0.494 -13.958 -6.679 1.00 0.00 C ATOM 1451 O TYR A 90 0.382 -14.542 -6.042 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.799 -14.696 -7.308 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.411 -16.136 -7.557 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -2.369 -17.054 -6.515 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.086 -16.578 -8.833 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -2.014 -18.371 -6.737 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.731 -17.893 -9.065 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.696 -18.785 -8.014 1.00 0.00 C ATOM 1459 OH TYR A 90 -1.343 -20.096 -8.240 1.00 0.00 O ATOM 0 H TYR A 90 -3.281 -12.412 -6.521 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.012 -14.584 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.847 -14.657 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.711 -14.139 -8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.618 -16.733 -5.514 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.111 -15.882 -9.658 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.986 -19.072 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.482 -18.220 -10.064 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.151 -20.223 -9.192 1.00 0.00 H new ATOM 1469 N SER A 91 -0.240 -13.253 -7.778 1.00 0.00 N ATOM 1470 CA SER A 91 1.111 -13.126 -8.310 1.00 0.00 C ATOM 1471 C SER A 91 1.993 -12.313 -7.367 1.00 0.00 C ATOM 1472 O SER A 91 3.201 -12.538 -7.279 1.00 0.00 O ATOM 1473 CB SER A 91 1.079 -12.468 -9.691 1.00 0.00 C ATOM 1474 OG SER A 91 2.193 -11.612 -9.874 1.00 0.00 O ATOM 0 H SER A 91 -0.953 -12.761 -8.317 1.00 0.00 H new ATOM 0 HA SER A 91 1.533 -14.127 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.076 -13.237 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.156 -11.899 -9.805 1.00 0.00 H new ATOM 0 HG SER A 91 2.150 -11.205 -10.765 1.00 0.00 H new ATOM 1480 N LEU A 92 1.380 -11.368 -6.663 1.00 0.00 N ATOM 1481 CA LEU A 92 2.108 -10.519 -5.726 1.00 0.00 C ATOM 1482 C LEU A 92 2.927 -11.361 -4.753 1.00 0.00 C ATOM 1483 O LEU A 92 4.073 -11.035 -4.447 1.00 0.00 O ATOM 1484 CB LEU A 92 1.134 -9.628 -4.952 1.00 0.00 C ATOM 1485 CG LEU A 92 1.732 -8.827 -3.795 1.00 0.00 C ATOM 1486 CD1 LEU A 92 2.931 -8.019 -4.269 1.00 0.00 C ATOM 1487 CD2 LEU A 92 0.682 -7.914 -3.180 1.00 0.00 C ATOM 0 H LEU A 92 0.381 -11.170 -6.723 1.00 0.00 H new ATOM 0 HA LEU A 92 2.790 -9.890 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.676 -8.930 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.334 -10.255 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 92 2.070 -9.526 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.344 -7.455 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.692 -8.693 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.618 -7.329 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.125 -7.352 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.314 -7.221 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.147 -8.514 -2.804 1.00 0.00 H new ATOM 1499 N ALA A 93 2.331 -12.447 -4.271 1.00 0.00 N ATOM 1500 CA ALA A 93 3.007 -13.338 -3.336 1.00 0.00 C ATOM 1501 C ALA A 93 4.159 -14.073 -4.013 1.00 0.00 C ATOM 1502 O ALA A 93 5.143 -14.431 -3.367 1.00 0.00 O ATOM 1503 CB ALA A 93 2.018 -14.333 -2.747 1.00 0.00 C ATOM 0 H ALA A 93 1.382 -12.731 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 93 3.421 -12.732 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.536 -14.992 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.231 -13.795 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.578 -14.926 -3.548 1.00 0.00 H new ATOM 1509 N GLU A 94 4.029 -14.293 -5.318 1.00 0.00 N ATOM 1510 CA GLU A 94 5.060 -14.987 -6.081 1.00 0.00 C ATOM 1511 C GLU A 94 6.200 -14.039 -6.442 1.00 0.00 C ATOM 1512 O GLU A 94 7.351 -14.457 -6.573 1.00 0.00 O ATOM 1513 CB GLU A 94 4.464 -15.593 -7.353 1.00 0.00 C ATOM 1514 CG GLU A 94 3.173 -16.359 -7.115 1.00 0.00 C ATOM 1515 CD GLU A 94 3.376 -17.590 -6.254 1.00 0.00 C ATOM 1516 OE1 GLU A 94 3.558 -17.433 -5.029 1.00 0.00 O ATOM 1517 OE2 GLU A 94 3.353 -18.711 -6.806 1.00 0.00 O ATOM 0 H GLU A 94 3.221 -14.001 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 94 5.459 -15.788 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.276 -14.795 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.196 -16.263 -7.804 1.00 0.00 H new ATOM 0 HG2 GLU A 94 2.447 -15.701 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.749 -16.657 -8.074 1.00 0.00 H new ATOM 1524 N ARG A 95 5.872 -12.761 -6.600 1.00 0.00 N ATOM 1525 CA ARG A 95 6.866 -11.754 -6.947 1.00 0.00 C ATOM 1526 C ARG A 95 7.814 -11.500 -5.779 1.00 0.00 C ATOM 1527 O ARG A 95 9.023 -11.353 -5.967 1.00 0.00 O ATOM 1528 CB ARG A 95 6.181 -10.448 -7.355 1.00 0.00 C ATOM 1529 CG ARG A 95 5.732 -10.423 -8.807 1.00 0.00 C ATOM 1530 CD ARG A 95 4.834 -9.229 -9.091 1.00 0.00 C ATOM 1531 NE ARG A 95 4.353 -9.223 -10.470 1.00 0.00 N ATOM 1532 CZ ARG A 95 5.119 -8.929 -11.515 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.396 -8.620 -11.338 1.00 0.00 N ATOM 1534 NH2 ARG A 95 4.608 -8.946 -12.739 1.00 0.00 N ATOM 0 H ARG A 95 4.925 -12.399 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 95 7.447 -12.130 -7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.315 -10.286 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.866 -9.618 -7.181 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.605 -10.386 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.199 -11.345 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.983 -9.245 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.382 -8.308 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 95 3.375 -9.457 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.792 -8.608 -10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.982 -8.395 -12.142 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.626 -9.185 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.197 -8.720 -13.541 1.00 0.00 H new ATOM 1548 N CYS A 96 7.258 -11.449 -4.574 1.00 0.00 N ATOM 1549 CA CYS A 96 8.054 -11.212 -3.374 1.00 0.00 C ATOM 1550 C CYS A 96 9.166 -12.247 -3.246 1.00 0.00 C ATOM 1551 O CYS A 96 10.282 -11.927 -2.835 1.00 0.00 O ATOM 1552 CB CYS A 96 7.163 -11.246 -2.131 1.00 0.00 C ATOM 1553 SG CYS A 96 5.857 -9.995 -2.125 1.00 0.00 S ATOM 0 H CYS A 96 6.260 -11.568 -4.401 1.00 0.00 H new ATOM 0 HA CYS A 96 8.509 -10.225 -3.459 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.707 -12.233 -2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.786 -11.110 -1.247 1.00 0.00 H new ATOM 0 HG CYS A 96 4.992 -10.266 -3.057 1.00 0.00 H new ATOM 1559 N ARG A 97 8.854 -13.490 -3.598 1.00 0.00 N ATOM 1560 CA ARG A 97 9.827 -14.574 -3.519 1.00 0.00 C ATOM 1561 C ARG A 97 10.990 -14.330 -4.476 1.00 0.00 C ATOM 1562 O ARG A 97 12.134 -14.681 -4.182 1.00 0.00 O ATOM 1563 CB ARG A 97 9.159 -15.911 -3.842 1.00 0.00 C ATOM 1564 CG ARG A 97 7.821 -16.108 -3.147 1.00 0.00 C ATOM 1565 CD ARG A 97 7.615 -17.557 -2.735 1.00 0.00 C ATOM 1566 NE ARG A 97 6.548 -18.197 -3.500 1.00 0.00 N ATOM 1567 CZ ARG A 97 6.716 -18.697 -4.720 1.00 0.00 C ATOM 1568 NH1 ARG A 97 7.902 -18.632 -5.308 1.00 0.00 N ATOM 1569 NH2 ARG A 97 5.696 -19.264 -5.352 1.00 0.00 N ATOM 0 H ARG A 97 7.936 -13.772 -3.941 1.00 0.00 H new ATOM 0 HA ARG A 97 10.216 -14.607 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.013 -15.983 -4.920 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.830 -16.721 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.769 -15.467 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.015 -15.800 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.544 -18.110 -2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.376 -17.601 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 97 5.623 -18.264 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.688 -18.198 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.029 -19.016 -6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.782 -19.316 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.826 -19.647 -6.288 1.00 0.00 H new ATOM 1583 N LYS A 98 10.691 -13.728 -5.622 1.00 0.00 N ATOM 1584 CA LYS A 98 11.711 -13.436 -6.622 1.00 0.00 C ATOM 1585 C LYS A 98 12.778 -12.505 -6.056 1.00 0.00 C ATOM 1586 O LYS A 98 13.911 -12.480 -6.535 1.00 0.00 O ATOM 1587 CB LYS A 98 11.073 -12.804 -7.862 1.00 0.00 C ATOM 1588 CG LYS A 98 9.941 -13.628 -8.449 1.00 0.00 C ATOM 1589 CD LYS A 98 9.749 -13.337 -9.929 1.00 0.00 C ATOM 1590 CE LYS A 98 8.775 -12.191 -10.150 1.00 0.00 C ATOM 1591 NZ LYS A 98 8.964 -11.550 -11.481 1.00 0.00 N ATOM 0 H LYS A 98 9.750 -13.433 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 98 12.187 -14.375 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.695 -11.815 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.840 -12.662 -8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.151 -14.688 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.017 -13.413 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.710 -13.091 -10.380 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.380 -14.231 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.753 -12.562 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.908 -11.446 -9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.281 -10.774 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.931 -11.173 -11.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.812 -12.255 -12.230 1.00 0.00 H new ATOM 1605 N ASN A 99 12.408 -11.741 -5.033 1.00 0.00 N ATOM 1606 CA ASN A 99 13.334 -10.808 -4.401 1.00 0.00 C ATOM 1607 C ASN A 99 13.984 -11.436 -3.172 1.00 0.00 C ATOM 1608 O ASN A 99 14.403 -10.735 -2.252 1.00 0.00 O ATOM 1609 CB ASN A 99 12.606 -9.522 -4.006 1.00 0.00 C ATOM 1610 CG ASN A 99 12.550 -8.518 -5.141 1.00 0.00 C ATOM 1611 OD1 ASN A 99 12.947 -7.363 -4.983 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.055 -8.954 -6.293 1.00 0.00 N ATOM 0 H ASN A 99 11.474 -11.750 -4.624 1.00 0.00 H new ATOM 0 HA ASN A 99 14.116 -10.567 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.592 -9.765 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.109 -9.071 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.992 -8.323 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.738 -9.920 -6.379 1.00 0.00 H new ATOM 1619 N ASN A 100 14.064 -12.763 -3.164 1.00 0.00 N ATOM 1620 CA ASN A 100 14.662 -13.486 -2.047 1.00 0.00 C ATOM 1621 C ASN A 100 13.946 -13.158 -0.741 1.00 0.00 C ATOM 1622 O ASN A 100 14.540 -13.214 0.336 1.00 0.00 O ATOM 1623 CB ASN A 100 16.148 -13.142 -1.928 1.00 0.00 C ATOM 1624 CG ASN A 100 17.003 -13.924 -2.906 1.00 0.00 C ATOM 1625 OD1 ASN A 100 17.033 -13.624 -4.100 1.00 0.00 O ATOM 1626 ND2 ASN A 100 17.704 -14.934 -2.404 1.00 0.00 N ATOM 0 H ASN A 100 13.722 -13.359 -3.918 1.00 0.00 H new ATOM 0 HA ASN A 100 14.557 -14.554 -2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.286 -12.075 -2.102 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.485 -13.346 -0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.297 -15.496 -3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.649 -15.147 -1.408 1.00 0.00 H new ATOM 1633 N GLY A 101 12.665 -12.817 -0.843 1.00 0.00 N ATOM 1634 CA GLY A 101 11.889 -12.486 0.338 1.00 0.00 C ATOM 1635 C GLY A 101 10.784 -11.491 0.045 1.00 0.00 C ATOM 1636 O GLY A 101 9.628 -11.872 -0.142 1.00 0.00 O ATOM 0 H GLY A 101 12.151 -12.764 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.454 -13.396 0.750 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.551 -12.075 1.101 1.00 0.00 H new ATOM 1640 N LYS A 102 11.137 -10.211 0.005 1.00 0.00 N ATOM 1641 CA LYS A 102 10.168 -9.157 -0.267 1.00 0.00 C ATOM 1642 C LYS A 102 10.576 -8.344 -1.492 1.00 0.00 C ATOM 1643 O LYS A 102 11.747 -8.003 -1.662 1.00 0.00 O ATOM 1644 CB LYS A 102 10.031 -8.236 0.947 1.00 0.00 C ATOM 1645 CG LYS A 102 11.332 -7.562 1.349 1.00 0.00 C ATOM 1646 CD LYS A 102 11.477 -6.197 0.698 1.00 0.00 C ATOM 1647 CE LYS A 102 10.889 -5.098 1.570 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.328 -3.745 1.130 1.00 0.00 N ATOM 0 H LYS A 102 12.089 -9.878 0.158 1.00 0.00 H new ATOM 0 HA LYS A 102 9.206 -9.627 -0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.287 -7.470 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.655 -8.815 1.791 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.367 -7.455 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.173 -8.193 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.531 -5.991 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.978 -6.200 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.801 -5.154 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.188 -5.258 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.906 -3.024 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.365 -3.682 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.021 -3.582 0.150 1.00 0.00 H new ATOM 1662 N THR A 103 9.603 -8.036 -2.343 1.00 0.00 N ATOM 1663 CA THR A 103 9.861 -7.263 -3.552 1.00 0.00 C ATOM 1664 C THR A 103 9.266 -5.864 -3.447 1.00 0.00 C ATOM 1665 O THR A 103 8.374 -5.618 -2.636 1.00 0.00 O ATOM 1666 CB THR A 103 9.286 -7.961 -4.799 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.700 -7.269 -5.982 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.767 -8.011 -4.739 1.00 0.00 C ATOM 0 H THR A 103 8.629 -8.310 -2.218 1.00 0.00 H new ATOM 0 HA THR A 103 10.944 -7.188 -3.654 1.00 0.00 H new ATOM 0 HB THR A 103 9.666 -8.982 -4.825 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.332 -7.720 -6.770 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.384 -8.508 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.456 -8.564 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.371 -6.997 -4.691 1.00 0.00 H new ATOM 1676 N GLU A 104 9.766 -4.950 -4.274 1.00 0.00 N ATOM 1677 CA GLU A 104 9.282 -3.574 -4.273 1.00 0.00 C ATOM 1678 C GLU A 104 8.601 -3.236 -5.596 1.00 0.00 C ATOM 1679 O GLU A 104 9.150 -3.483 -6.670 1.00 0.00 O ATOM 1680 CB GLU A 104 10.438 -2.604 -4.019 1.00 0.00 C ATOM 1681 CG GLU A 104 10.837 -2.502 -2.557 1.00 0.00 C ATOM 1682 CD GLU A 104 12.239 -1.956 -2.372 1.00 0.00 C ATOM 1683 OE1 GLU A 104 12.577 -0.950 -3.031 1.00 0.00 O ATOM 1684 OE2 GLU A 104 13.000 -2.534 -1.567 1.00 0.00 O ATOM 0 H GLU A 104 10.505 -5.137 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 104 8.550 -3.474 -3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.303 -2.922 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.157 -1.615 -4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.129 -1.859 -2.035 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.771 -3.488 -2.097 1.00 0.00 H new ATOM 1691 N ILE A 105 7.401 -2.671 -5.509 1.00 0.00 N ATOM 1692 CA ILE A 105 6.645 -2.299 -6.698 1.00 0.00 C ATOM 1693 C ILE A 105 6.095 -0.881 -6.578 1.00 0.00 C ATOM 1694 O ILE A 105 5.681 -0.455 -5.501 1.00 0.00 O ATOM 1695 CB ILE A 105 5.477 -3.271 -6.950 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.000 -4.700 -7.111 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.691 -2.846 -8.181 1.00 0.00 C ATOM 1698 CD1 ILE A 105 4.938 -5.758 -6.909 1.00 0.00 C ATOM 0 H ILE A 105 6.932 -2.461 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 105 7.336 -2.349 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 105 4.808 -3.244 -6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.428 -4.812 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.807 -4.866 -6.397 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.869 -3.542 -8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.292 -1.843 -8.030 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.348 -2.847 -9.051 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.380 -6.746 -7.038 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.526 -5.673 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.142 -5.618 -7.640 1.00 0.00 H new ATOM 1710 N TRP A 106 6.094 -0.158 -7.692 1.00 0.00 N ATOM 1711 CA TRP A 106 5.593 1.212 -7.713 1.00 0.00 C ATOM 1712 C TRP A 106 4.220 1.280 -8.373 1.00 0.00 C ATOM 1713 O TRP A 106 4.092 1.084 -9.583 1.00 0.00 O ATOM 1714 CB TRP A 106 6.573 2.124 -8.451 1.00 0.00 C ATOM 1715 CG TRP A 106 7.621 2.717 -7.558 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.882 2.238 -7.343 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.497 3.898 -6.758 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.549 3.050 -6.458 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.721 4.076 -6.085 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.471 4.823 -6.546 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.945 5.140 -5.216 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.694 5.879 -5.682 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.923 6.031 -5.027 1.00 0.00 C ATOM 0 H TRP A 106 6.434 -0.497 -8.592 1.00 0.00 H new ATOM 0 HA TRP A 106 5.497 1.553 -6.682 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.060 1.556 -9.243 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.017 2.929 -8.931 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.294 1.351 -7.801 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.505 2.912 -6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.521 4.715 -7.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.891 5.258 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.908 6.599 -5.509 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.067 6.868 -4.360 1.00 0.00 H new ATOM 1734 N LEU A 107 3.197 1.558 -7.573 1.00 0.00 N ATOM 1735 CA LEU A 107 1.832 1.652 -8.081 1.00 0.00 C ATOM 1736 C LEU A 107 1.638 2.933 -8.885 1.00 0.00 C ATOM 1737 O LEU A 107 2.241 3.963 -8.585 1.00 0.00 O ATOM 1738 CB LEU A 107 0.832 1.604 -6.925 1.00 0.00 C ATOM 1739 CG LEU A 107 0.893 0.362 -6.035 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.106 0.473 -4.894 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.631 -0.894 -6.854 1.00 0.00 C ATOM 0 H LEU A 107 3.286 1.722 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 107 1.656 0.802 -8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.988 2.483 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.174 1.681 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 107 1.894 0.293 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.048 -0.420 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.126 1.351 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.113 0.567 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.678 -1.768 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.358 -0.832 -7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.385 -0.982 -7.636 1.00 0.00 H new ATOM 1753 N GLU A 108 0.789 2.863 -9.906 1.00 0.00 N ATOM 1754 CA GLU A 108 0.514 4.018 -10.751 1.00 0.00 C ATOM 1755 C GLU A 108 -0.980 4.327 -10.782 1.00 0.00 C ATOM 1756 O GLU A 108 -1.729 3.748 -11.571 1.00 0.00 O ATOM 1757 CB GLU A 108 1.025 3.771 -12.173 1.00 0.00 C ATOM 1758 CG GLU A 108 0.674 2.396 -12.715 1.00 0.00 C ATOM 1759 CD GLU A 108 0.639 2.359 -14.231 1.00 0.00 C ATOM 1760 OE1 GLU A 108 0.399 3.419 -14.846 1.00 0.00 O ATOM 1761 OE2 GLU A 108 0.852 1.268 -14.801 1.00 0.00 O ATOM 0 H GLU A 108 0.280 2.018 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 108 1.036 4.877 -10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.611 4.530 -12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.108 3.892 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.403 1.670 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.298 2.093 -12.325 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.407 5.241 -9.919 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.812 5.627 -9.846 1.00 0.00 C ATOM 1770 C LEU A 109 -3.161 6.623 -10.947 1.00 0.00 C ATOM 1771 O LEU A 109 -2.458 7.613 -11.151 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.124 6.234 -8.477 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.430 5.583 -7.280 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.684 6.386 -6.014 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.901 4.146 -7.107 1.00 0.00 C ATOM 0 H LEU A 109 -0.801 5.729 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.417 4.731 -9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.852 7.289 -8.499 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.201 6.186 -8.317 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.357 5.572 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.182 5.907 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.296 7.397 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.756 6.430 -5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.397 3.698 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.978 4.134 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.666 3.575 -8.005 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.254 6.356 -11.655 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.700 7.229 -12.734 1.00 0.00 C ATOM 1789 C LYS A 110 -6.061 7.838 -12.413 1.00 0.00 C ATOM 1790 O LYS A 110 -6.828 7.320 -11.601 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.774 6.451 -14.050 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.424 6.255 -14.717 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.100 7.397 -15.666 1.00 0.00 C ATOM 1794 CE LYS A 110 -1.622 7.422 -16.024 1.00 0.00 C ATOM 1795 NZ LYS A 110 -0.806 8.081 -14.968 1.00 0.00 N ATOM 0 H LYS A 110 -4.847 5.541 -11.500 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.976 8.037 -12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.222 5.475 -13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.436 6.978 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.648 6.182 -13.955 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.421 5.313 -15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.694 7.296 -16.574 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.380 8.345 -15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.267 6.402 -16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.486 7.948 -16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.195 8.078 -15.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.127 9.062 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.915 7.564 -14.072 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.374 8.966 -13.067 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.564 9.688 -14.053 1.00 0.00 C ATOM 1811 C PRO A 111 -4.345 10.354 -13.425 1.00 0.00 C ATOM 1812 O PRO A 111 -3.406 10.734 -14.124 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.529 10.744 -14.599 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.519 10.954 -13.507 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.669 9.624 -12.822 1.00 0.00 C ATOM 0 HA PRO A 111 -5.162 9.022 -14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.007 11.669 -14.843 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.014 10.402 -15.513 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.173 11.716 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.473 11.297 -13.906 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.865 9.741 -11.756 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.497 9.049 -13.237 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.367 10.492 -12.104 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.262 11.113 -11.383 1.00 0.00 C ATOM 1825 C GLN A 112 -3.041 10.434 -10.035 1.00 0.00 C ATOM 1826 O GLN A 112 -3.880 9.664 -9.572 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.533 12.605 -11.177 1.00 0.00 C ATOM 1828 CG GLN A 112 -3.944 13.329 -12.449 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.380 14.758 -12.191 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -3.550 15.655 -12.040 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -5.688 14.978 -12.139 1.00 0.00 N ATOM 0 H GLN A 112 -5.137 10.183 -11.511 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.359 10.994 -11.982 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.319 12.724 -10.431 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.637 13.076 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -3.109 13.329 -13.149 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.759 12.785 -12.925 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.341 14.205 -12.270 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.040 15.920 -11.968 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.903 10.725 -9.411 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.592 10.134 -8.123 1.00 0.00 C ATOM 1842 C GLY A 113 -0.714 8.904 -8.246 1.00 0.00 C ATOM 1843 O GLY A 113 -0.788 8.178 -9.238 1.00 0.00 O ATOM 0 H GLY A 113 -1.192 11.359 -9.775 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.090 10.874 -7.499 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.519 9.866 -7.617 1.00 0.00 H new ATOM 1847 N ARG A 114 0.120 8.670 -7.238 1.00 0.00 N ATOM 1848 CA ARG A 114 1.017 7.521 -7.240 1.00 0.00 C ATOM 1849 C ARG A 114 1.512 7.216 -5.829 1.00 0.00 C ATOM 1850 O ARG A 114 1.686 8.120 -5.012 1.00 0.00 O ATOM 1851 CB ARG A 114 2.208 7.780 -8.164 1.00 0.00 C ATOM 1852 CG ARG A 114 3.193 8.800 -7.619 1.00 0.00 C ATOM 1853 CD ARG A 114 4.161 9.271 -8.693 1.00 0.00 C ATOM 1854 NE ARG A 114 5.321 9.953 -8.125 1.00 0.00 N ATOM 1855 CZ ARG A 114 6.382 10.315 -8.837 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.431 10.061 -10.137 1.00 0.00 N ATOM 1857 NH2 ARG A 114 7.398 10.932 -8.248 1.00 0.00 N ATOM 0 H ARG A 114 0.193 9.261 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 114 0.461 6.658 -7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.732 6.840 -8.339 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.839 8.125 -9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.648 9.655 -7.219 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.751 8.362 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.495 8.415 -9.280 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.644 9.944 -9.377 1.00 0.00 H new ATOM 0 HE ARG A 114 5.316 10.163 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.652 9.586 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.247 10.340 -10.681 1.00 0.00 H new ATOM 0 HH21 ARG A 114 7.365 11.129 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.213 11.210 -8.795 1.00 0.00 H new ATOM 1871 N MET A 115 1.736 5.936 -5.550 1.00 0.00 N ATOM 1872 CA MET A 115 2.211 5.511 -4.238 1.00 0.00 C ATOM 1873 C MET A 115 3.120 4.293 -4.358 1.00 0.00 C ATOM 1874 O MET A 115 3.148 3.625 -5.392 1.00 0.00 O ATOM 1875 CB MET A 115 1.028 5.192 -3.323 1.00 0.00 C ATOM 1876 CG MET A 115 0.003 4.264 -3.955 1.00 0.00 C ATOM 1877 SD MET A 115 -1.208 3.654 -2.767 1.00 0.00 S ATOM 1878 CE MET A 115 -2.266 5.089 -2.595 1.00 0.00 C ATOM 0 H MET A 115 1.596 5.175 -6.215 1.00 0.00 H new ATOM 0 HA MET A 115 2.786 6.329 -3.804 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.401 4.737 -2.406 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.537 6.123 -3.040 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.514 4.792 -4.756 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.517 3.418 -4.411 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.481 5.258 -1.540 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.763 5.963 -3.008 1.00 0.00 H new ATOM 0 HE3 MET A 115 -3.199 4.920 -3.132 1.00 0.00 H new ATOM 1888 N LEU A 116 3.864 4.009 -3.294 1.00 0.00 N ATOM 1889 CA LEU A 116 4.775 2.870 -3.280 1.00 0.00 C ATOM 1890 C LEU A 116 4.159 1.688 -2.538 1.00 0.00 C ATOM 1891 O LEU A 116 3.601 1.847 -1.453 1.00 0.00 O ATOM 1892 CB LEU A 116 6.102 3.261 -2.626 1.00 0.00 C ATOM 1893 CG LEU A 116 7.045 2.109 -2.280 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.339 1.270 -3.514 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.336 2.640 -1.675 1.00 0.00 C ATOM 0 H LEU A 116 3.854 4.552 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 116 4.959 2.571 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.626 3.945 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.885 3.813 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 116 6.555 1.474 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.012 0.455 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.408 0.859 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.808 1.894 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.995 1.806 -1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.829 3.298 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.110 3.197 -0.766 1.00 0.00 H new ATOM 1907 N MET A 117 4.266 0.503 -3.130 1.00 0.00 N ATOM 1908 CA MET A 117 3.722 -0.706 -2.523 1.00 0.00 C ATOM 1909 C MET A 117 4.833 -1.699 -2.199 1.00 0.00 C ATOM 1910 O MET A 117 5.470 -2.247 -3.098 1.00 0.00 O ATOM 1911 CB MET A 117 2.697 -1.355 -3.456 1.00 0.00 C ATOM 1912 CG MET A 117 1.900 -2.470 -2.801 1.00 0.00 C ATOM 1913 SD MET A 117 0.766 -3.279 -3.947 1.00 0.00 S ATOM 1914 CE MET A 117 1.905 -4.280 -4.901 1.00 0.00 C ATOM 0 H MET A 117 4.724 0.354 -4.029 1.00 0.00 H new ATOM 0 HA MET A 117 3.228 -0.425 -1.593 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.009 -0.590 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.214 -1.753 -4.329 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.587 -3.211 -2.392 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.334 -2.063 -1.963 1.00 0.00 H new ATOM 0 HE1 MET A 117 2.079 -3.811 -5.869 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.850 -4.366 -4.365 1.00 0.00 H new ATOM 0 HE3 MET A 117 1.480 -5.273 -5.050 1.00 0.00 H new ATOM 1924 N ASN A 118 5.060 -1.927 -0.910 1.00 0.00 N ATOM 1925 CA ASN A 118 6.096 -2.854 -0.468 1.00 0.00 C ATOM 1926 C ASN A 118 5.478 -4.110 0.140 1.00 0.00 C ATOM 1927 O ASN A 118 5.011 -4.095 1.279 1.00 0.00 O ATOM 1928 CB ASN A 118 7.014 -2.178 0.552 1.00 0.00 C ATOM 1929 CG ASN A 118 7.518 -0.830 0.073 1.00 0.00 C ATOM 1930 OD1 ASN A 118 7.446 0.164 0.794 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.031 -0.792 -1.151 1.00 0.00 N ATOM 0 H ASN A 118 4.541 -1.483 -0.153 1.00 0.00 H new ATOM 0 HA ASN A 118 6.684 -3.145 -1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.476 -2.049 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.864 -2.828 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.386 0.087 -1.528 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.071 -1.642 -1.714 1.00 0.00 H new ATOM 1938 N ALA A 119 5.481 -5.195 -0.627 1.00 0.00 N ATOM 1939 CA ALA A 119 4.924 -6.460 -0.163 1.00 0.00 C ATOM 1940 C ALA A 119 6.018 -7.379 0.371 1.00 0.00 C ATOM 1941 O ALA A 119 7.062 -7.547 -0.259 1.00 0.00 O ATOM 1942 CB ALA A 119 4.159 -7.143 -1.287 1.00 0.00 C ATOM 0 H ALA A 119 5.863 -5.224 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 119 4.235 -6.248 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.748 -8.086 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.346 -6.497 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.833 -7.336 -2.121 1.00 0.00 H new ATOM 1948 N ARG A 120 5.771 -7.970 1.535 1.00 0.00 N ATOM 1949 CA ARG A 120 6.737 -8.871 2.153 1.00 0.00 C ATOM 1950 C ARG A 120 6.137 -10.261 2.347 1.00 0.00 C ATOM 1951 O ARG A 120 4.925 -10.408 2.507 1.00 0.00 O ATOM 1952 CB ARG A 120 7.198 -8.311 3.500 1.00 0.00 C ATOM 1953 CG ARG A 120 8.237 -9.175 4.195 1.00 0.00 C ATOM 1954 CD ARG A 120 9.177 -8.338 5.049 1.00 0.00 C ATOM 1955 NE ARG A 120 8.453 -7.513 6.012 1.00 0.00 N ATOM 1956 CZ ARG A 120 9.025 -6.937 7.063 1.00 0.00 C ATOM 1957 NH1 ARG A 120 10.323 -7.094 7.285 1.00 0.00 N ATOM 1958 NH2 ARG A 120 8.299 -6.200 7.895 1.00 0.00 N ATOM 0 H ARG A 120 4.911 -7.842 2.069 1.00 0.00 H new ATOM 0 HA ARG A 120 7.596 -8.954 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.610 -7.314 3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.333 -8.201 4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.737 -9.915 4.820 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.813 -9.724 3.450 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.866 -8.995 5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.780 -7.698 4.404 1.00 0.00 H new ATOM 0 HE ARG A 120 7.453 -7.371 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.885 -7.658 6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.760 -6.650 8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.301 -6.076 7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.740 -5.758 8.702 1.00 0.00 H new ATOM 1972 N TYR A 121 6.993 -11.276 2.332 1.00 0.00 N ATOM 1973 CA TYR A 121 6.548 -12.654 2.503 1.00 0.00 C ATOM 1974 C TYR A 121 6.671 -13.089 3.960 1.00 0.00 C ATOM 1975 O TYR A 121 7.702 -12.879 4.598 1.00 0.00 O ATOM 1976 CB TYR A 121 7.364 -13.590 1.609 1.00 0.00 C ATOM 1977 CG TYR A 121 6.606 -14.824 1.173 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.548 -14.733 0.278 1.00 0.00 C ATOM 1979 CD2 TYR A 121 6.949 -16.080 1.657 1.00 0.00 C ATOM 1980 CE1 TYR A 121 4.852 -15.858 -0.122 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.260 -17.210 1.261 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.212 -17.094 0.372 1.00 0.00 C ATOM 1983 OH TYR A 121 4.523 -18.217 -0.025 1.00 0.00 O ATOM 0 H TYR A 121 7.999 -11.171 2.203 1.00 0.00 H new ATOM 0 HA TYR A 121 5.499 -12.709 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.689 -13.042 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.264 -13.896 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.264 -13.767 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.768 -16.175 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.031 -15.770 -0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.541 -18.179 1.646 1.00 0.00 H new ATOM 0 HH TYR A 121 4.903 -19.006 0.414 1.00 0.00 H new ATOM 1993 N PHE A 122 5.610 -13.698 4.480 1.00 0.00 N ATOM 1994 CA PHE A 122 5.597 -14.164 5.861 1.00 0.00 C ATOM 1995 C PHE A 122 4.859 -15.494 5.980 1.00 0.00 C ATOM 1996 O PHE A 122 4.258 -15.972 5.017 1.00 0.00 O ATOM 1997 CB PHE A 122 4.939 -13.120 6.767 1.00 0.00 C ATOM 1998 CG PHE A 122 5.872 -12.024 7.194 1.00 0.00 C ATOM 1999 CD1 PHE A 122 6.943 -12.294 8.031 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.679 -10.723 6.758 1.00 0.00 C ATOM 2001 CE1 PHE A 122 7.802 -11.286 8.426 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.535 -9.711 7.150 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.599 -9.994 7.984 1.00 0.00 C ATOM 0 H PHE A 122 4.748 -13.880 3.965 1.00 0.00 H new ATOM 0 HA PHE A 122 6.629 -14.312 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.090 -12.680 6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.545 -13.617 7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.108 -13.303 8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.850 -10.497 6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.632 -11.509 9.080 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.372 -8.701 6.805 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.271 -9.206 8.290 1.00 0.00 H new ATOM 2013 N LEU A 123 4.910 -16.088 7.167 1.00 0.00 N ATOM 2014 CA LEU A 123 4.247 -17.364 7.413 1.00 0.00 C ATOM 2015 C LEU A 123 3.358 -17.286 8.650 1.00 0.00 C ATOM 2016 O LEU A 123 3.675 -16.586 9.611 1.00 0.00 O ATOM 2017 CB LEU A 123 5.285 -18.475 7.586 1.00 0.00 C ATOM 2018 CG LEU A 123 5.700 -19.210 6.312 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.543 -20.036 5.772 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.188 -18.223 5.262 1.00 0.00 C ATOM 0 H LEU A 123 5.403 -15.707 7.974 1.00 0.00 H new ATOM 0 HA LEU A 123 3.620 -17.592 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.177 -18.044 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.891 -19.206 8.291 1.00 0.00 H new ATOM 0 HG LEU A 123 6.520 -19.886 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.857 -20.552 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.239 -20.769 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.703 -19.380 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.479 -18.764 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.388 -17.522 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.047 -17.674 5.649 1.00 0.00 H new