USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.625 K(o=1.4,f=-2.7) USER MOD Set 1.3: A 81 THR OG1 : rot -115:sc= 0.729 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.0315 F(o=-2.9!,f=-0.031) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.468 USER MOD Single : A 30 SER OG : rot 96:sc= 1.03 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= 0.622 (180deg=-0.223) USER MOD Single : A 39 SER OG : rot 162:sc= 0.114 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 71:sc= 1.23 USER MOD Single : A 49 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -130:sc= 1.03 USER MOD Single : A 64 GLN : amide:sc= 0.0385 X(o=0.038,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= -0.402 (180deg=-2.56!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.0106 F(o=-1.4,f=-0.011) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 6 -8.253 8.864 3.256 1.00 0.00 N ATOM 82 CA PRO A 6 -7.118 9.163 4.142 1.00 0.00 C ATOM 83 C PRO A 6 -6.450 7.905 4.696 1.00 0.00 C ATOM 84 O PRO A 6 -7.101 6.873 4.887 1.00 0.00 O ATOM 85 CB PRO A 6 -7.741 9.969 5.291 1.00 0.00 C ATOM 86 CG PRO A 6 -9.218 9.837 5.136 1.00 0.00 C ATOM 87 CD PRO A 6 -9.474 9.555 3.687 1.00 0.00 C ATOM 0 HA PRO A 6 -6.333 9.694 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.415 9.585 6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.436 11.014 5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.602 9.031 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.723 10.751 5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.358 8.933 3.548 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.638 10.472 3.122 1.00 0.00 H new ATOM 95 N ILE A 7 -5.154 8.001 4.980 1.00 0.00 N ATOM 96 CA ILE A 7 -4.400 6.864 5.486 1.00 0.00 C ATOM 97 C ILE A 7 -4.858 6.495 6.894 1.00 0.00 C ATOM 98 O ILE A 7 -4.842 5.327 7.271 1.00 0.00 O ATOM 99 CB ILE A 7 -2.873 7.127 5.470 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.102 5.870 5.885 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.509 8.301 6.368 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.321 4.693 4.962 1.00 0.00 C ATOM 0 H ILE A 7 -4.607 8.855 4.868 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.598 6.025 4.818 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.588 7.384 4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.037 6.102 5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.399 5.589 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.431 8.462 6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.020 9.198 6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.814 8.084 7.392 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.744 3.839 5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.380 4.435 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.997 4.955 3.955 1.00 0.00 H new ATOM 114 N THR A 8 -5.300 7.493 7.651 1.00 0.00 N ATOM 115 CA THR A 8 -5.848 7.277 8.977 1.00 0.00 C ATOM 116 C THR A 8 -7.005 6.271 8.935 1.00 0.00 C ATOM 117 O THR A 8 -7.221 5.506 9.880 1.00 0.00 O ATOM 118 CB THR A 8 -6.310 8.627 9.571 1.00 0.00 C ATOM 119 OG1 THR A 8 -5.196 9.310 10.165 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.420 8.457 10.589 1.00 0.00 C ATOM 0 H THR A 8 -5.287 8.471 7.360 1.00 0.00 H new ATOM 0 HA THR A 8 -5.072 6.856 9.617 1.00 0.00 H new ATOM 0 HB THR A 8 -6.711 9.223 8.751 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.497 10.165 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.710 9.433 10.977 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.280 7.985 10.114 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.069 7.830 11.409 1.00 0.00 H new ATOM 128 N GLU A 9 -7.719 6.251 7.822 1.00 0.00 N ATOM 129 CA GLU A 9 -8.830 5.334 7.649 1.00 0.00 C ATOM 130 C GLU A 9 -8.352 4.025 7.025 1.00 0.00 C ATOM 131 O GLU A 9 -8.635 2.938 7.534 1.00 0.00 O ATOM 132 CB GLU A 9 -9.904 5.970 6.765 1.00 0.00 C ATOM 133 CG GLU A 9 -10.422 7.300 7.290 1.00 0.00 C ATOM 134 CD GLU A 9 -11.098 7.171 8.636 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.399 7.237 9.667 1.00 0.00 O ATOM 136 OE2 GLU A 9 -12.332 6.988 8.671 1.00 0.00 O ATOM 0 H GLU A 9 -7.547 6.862 7.023 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.256 5.119 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.497 6.118 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.740 5.277 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.592 8.002 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.127 7.720 6.572 1.00 0.00 H new ATOM 143 N VAL A 10 -7.595 4.138 5.943 1.00 0.00 N ATOM 144 CA VAL A 10 -7.211 2.975 5.150 1.00 0.00 C ATOM 145 C VAL A 10 -6.229 2.071 5.890 1.00 0.00 C ATOM 146 O VAL A 10 -6.304 0.856 5.772 1.00 0.00 O ATOM 147 CB VAL A 10 -6.615 3.396 3.790 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.127 2.189 3.004 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.642 4.166 2.981 1.00 0.00 C ATOM 0 H VAL A 10 -7.233 5.025 5.592 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.124 2.406 4.975 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.758 4.041 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.713 2.519 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.357 1.670 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.961 1.512 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.208 4.457 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.515 3.536 2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.942 5.059 3.529 1.00 0.00 H new ATOM 159 N LEU A 11 -5.328 2.668 6.664 1.00 0.00 N ATOM 160 CA LEU A 11 -4.311 1.912 7.395 1.00 0.00 C ATOM 161 C LEU A 11 -4.927 0.781 8.244 1.00 0.00 C ATOM 162 O LEU A 11 -4.616 -0.392 8.019 1.00 0.00 O ATOM 163 CB LEU A 11 -3.469 2.870 8.252 1.00 0.00 C ATOM 164 CG LEU A 11 -2.688 2.230 9.396 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.669 1.239 8.869 1.00 0.00 C ATOM 166 CD2 LEU A 11 -2.017 3.300 10.240 1.00 0.00 C ATOM 0 H LEU A 11 -5.280 3.677 6.803 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.659 1.426 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.764 3.385 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.130 3.629 8.669 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.389 1.683 10.027 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.126 0.797 9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.180 0.454 8.312 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.968 1.753 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.464 2.829 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.330 3.876 9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.775 3.964 10.655 1.00 0.00 H new ATOM 178 N PRO A 12 -5.800 1.092 9.225 1.00 0.00 N ATOM 179 CA PRO A 12 -6.448 0.060 10.042 1.00 0.00 C ATOM 180 C PRO A 12 -7.455 -0.776 9.250 1.00 0.00 C ATOM 181 O PRO A 12 -7.657 -1.953 9.537 1.00 0.00 O ATOM 182 CB PRO A 12 -7.163 0.860 11.132 1.00 0.00 C ATOM 183 CG PRO A 12 -7.380 2.204 10.531 1.00 0.00 C ATOM 184 CD PRO A 12 -6.197 2.447 9.644 1.00 0.00 C ATOM 0 HA PRO A 12 -5.724 -0.659 10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.108 0.393 11.411 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.559 0.924 12.037 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.309 2.233 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.455 2.970 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.457 3.072 8.789 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.393 2.955 10.177 1.00 0.00 H new ATOM 192 N ARG A 13 -8.074 -0.166 8.243 1.00 0.00 N ATOM 193 CA ARG A 13 -9.087 -0.843 7.440 1.00 0.00 C ATOM 194 C ARG A 13 -8.462 -1.654 6.305 1.00 0.00 C ATOM 195 O ARG A 13 -9.168 -2.141 5.418 1.00 0.00 O ATOM 196 CB ARG A 13 -10.065 0.190 6.882 1.00 0.00 C ATOM 197 CG ARG A 13 -11.024 0.730 7.929 1.00 0.00 C ATOM 198 CD ARG A 13 -11.603 2.080 7.535 1.00 0.00 C ATOM 199 NE ARG A 13 -12.224 2.086 6.209 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.827 3.155 5.687 1.00 0.00 C ATOM 201 NH1 ARG A 13 -12.945 4.269 6.406 1.00 0.00 N ATOM 202 NH2 ARG A 13 -13.335 3.106 4.459 1.00 0.00 N ATOM 0 H ARG A 13 -7.891 0.798 7.964 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.620 -1.545 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.502 1.019 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.638 -0.261 6.072 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.836 0.018 8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.504 0.824 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.345 2.378 8.276 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.810 2.827 7.559 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.194 1.229 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.574 4.305 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.406 5.087 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.264 2.248 3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.795 3.926 4.064 1.00 0.00 H new ATOM 216 N ALA A 14 -7.144 -1.806 6.339 1.00 0.00 N ATOM 217 CA ALA A 14 -6.436 -2.554 5.311 1.00 0.00 C ATOM 218 C ALA A 14 -6.063 -3.943 5.805 1.00 0.00 C ATOM 219 O ALA A 14 -5.889 -4.165 7.005 1.00 0.00 O ATOM 220 CB ALA A 14 -5.186 -1.809 4.865 1.00 0.00 C ATOM 0 H ALA A 14 -6.544 -1.420 7.069 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.106 -2.658 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.673 -2.387 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.467 -0.836 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.522 -1.669 5.718 1.00 0.00 H new ATOM 226 N VAL A 15 -5.945 -4.874 4.871 1.00 0.00 N ATOM 227 CA VAL A 15 -5.564 -6.246 5.187 1.00 0.00 C ATOM 228 C VAL A 15 -4.272 -6.630 4.471 1.00 0.00 C ATOM 229 O VAL A 15 -3.797 -7.762 4.575 1.00 0.00 O ATOM 230 CB VAL A 15 -6.676 -7.242 4.801 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.883 -7.082 5.712 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.079 -7.052 3.346 1.00 0.00 C ATOM 0 H VAL A 15 -6.109 -4.704 3.879 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.408 -6.296 6.265 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.287 -8.253 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.655 -7.794 5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.587 -7.269 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.273 -6.068 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.865 -7.763 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.447 -6.036 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.214 -7.220 2.704 1.00 0.00 H new ATOM 242 N GLY A 16 -3.714 -5.686 3.731 1.00 0.00 N ATOM 243 CA GLY A 16 -2.469 -5.923 3.036 1.00 0.00 C ATOM 244 C GLY A 16 -1.837 -4.632 2.576 1.00 0.00 C ATOM 245 O GLY A 16 -2.499 -3.594 2.555 1.00 0.00 O ATOM 0 H GLY A 16 -4.105 -4.753 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.779 -6.453 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.648 -6.568 2.176 1.00 0.00 H new ATOM 249 N SER A 17 -0.567 -4.680 2.217 1.00 0.00 N ATOM 250 CA SER A 17 0.128 -3.497 1.746 1.00 0.00 C ATOM 251 C SER A 17 1.296 -3.866 0.841 1.00 0.00 C ATOM 252 O SER A 17 1.941 -4.903 1.018 1.00 0.00 O ATOM 253 CB SER A 17 0.622 -2.662 2.931 1.00 0.00 C ATOM 254 OG SER A 17 1.398 -3.442 3.829 1.00 0.00 O ATOM 0 H SER A 17 0.003 -5.525 2.243 1.00 0.00 H new ATOM 0 HA SER A 17 -0.577 -2.905 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.218 -1.826 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.232 -2.238 3.460 1.00 0.00 H new ATOM 0 HG SER A 17 1.700 -2.880 4.573 1.00 0.00 H new ATOM 260 N LEU A 18 1.536 -3.025 -0.146 1.00 0.00 N ATOM 261 CA LEU A 18 2.694 -3.151 -1.005 1.00 0.00 C ATOM 262 C LEU A 18 3.568 -1.920 -0.870 1.00 0.00 C ATOM 263 O LEU A 18 3.148 -0.812 -1.196 1.00 0.00 O ATOM 264 CB LEU A 18 2.277 -3.325 -2.460 1.00 0.00 C ATOM 265 CG LEU A 18 2.069 -4.766 -2.911 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.484 -4.810 -4.314 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.387 -5.518 -2.868 1.00 0.00 C ATOM 0 H LEU A 18 0.932 -2.235 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 18 3.254 -4.035 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.351 -2.773 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.036 -2.869 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 18 1.364 -5.245 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.343 -5.847 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.523 -4.296 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.166 -4.319 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.230 -6.547 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.104 -5.034 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.775 -5.513 -1.850 1.00 0.00 H new ATOM 279 N THR A 19 4.773 -2.113 -0.384 1.00 0.00 N ATOM 280 CA THR A 19 5.686 -1.010 -0.169 1.00 0.00 C ATOM 281 C THR A 19 6.589 -0.821 -1.381 1.00 0.00 C ATOM 282 O THR A 19 7.453 -1.650 -1.657 1.00 0.00 O ATOM 283 CB THR A 19 6.541 -1.246 1.088 1.00 0.00 C ATOM 284 OG1 THR A 19 5.681 -1.547 2.197 1.00 0.00 O ATOM 285 CG2 THR A 19 7.393 -0.027 1.413 1.00 0.00 C ATOM 0 H THR A 19 5.146 -3.027 -0.129 1.00 0.00 H new ATOM 0 HA THR A 19 5.094 -0.106 -0.024 1.00 0.00 H new ATOM 0 HB THR A 19 7.211 -2.084 0.898 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.223 -1.700 2.999 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.986 -0.225 2.306 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.058 0.186 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.746 0.832 1.590 1.00 0.00 H new ATOM 293 N PHE A 20 6.355 0.253 -2.115 1.00 0.00 N ATOM 294 CA PHE A 20 7.170 0.599 -3.269 1.00 0.00 C ATOM 295 C PHE A 20 8.147 1.709 -2.907 1.00 0.00 C ATOM 296 O PHE A 20 7.952 2.434 -1.926 1.00 0.00 O ATOM 297 CB PHE A 20 6.292 1.072 -4.437 1.00 0.00 C ATOM 298 CG PHE A 20 5.532 -0.008 -5.145 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.520 -0.702 -4.507 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.826 -0.315 -6.462 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.814 -1.685 -5.172 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.122 -1.296 -7.131 1.00 0.00 C ATOM 303 CZ PHE A 20 4.115 -1.980 -6.484 1.00 0.00 C ATOM 0 H PHE A 20 5.597 0.909 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 20 7.718 -0.294 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.581 1.807 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.925 1.583 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.280 -0.473 -3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.615 0.219 -6.972 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.027 -2.222 -4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.360 -1.527 -8.159 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.562 -2.747 -7.005 1.00 0.00 H new ATOM 313 N ASP A 21 9.194 1.835 -3.697 1.00 0.00 N ATOM 314 CA ASP A 21 10.154 2.913 -3.530 1.00 0.00 C ATOM 315 C ASP A 21 9.771 4.086 -4.424 1.00 0.00 C ATOM 316 O ASP A 21 8.872 3.964 -5.253 1.00 0.00 O ATOM 317 CB ASP A 21 11.563 2.420 -3.871 1.00 0.00 C ATOM 318 CG ASP A 21 12.619 3.481 -3.657 1.00 0.00 C ATOM 319 OD1 ASP A 21 12.825 3.893 -2.502 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.226 3.925 -4.651 1.00 0.00 O ATOM 0 H ASP A 21 9.405 1.200 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 21 10.145 3.243 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.798 1.550 -3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.588 2.093 -4.910 1.00 0.00 H new ATOM 325 N GLU A 22 10.445 5.216 -4.261 1.00 0.00 N ATOM 326 CA GLU A 22 10.205 6.374 -5.101 1.00 0.00 C ATOM 327 C GLU A 22 10.669 6.111 -6.534 1.00 0.00 C ATOM 328 O GLU A 22 10.278 6.819 -7.460 1.00 0.00 O ATOM 329 CB GLU A 22 10.902 7.601 -4.524 1.00 0.00 C ATOM 330 CG GLU A 22 12.392 7.419 -4.307 1.00 0.00 C ATOM 331 CD GLU A 22 13.042 8.668 -3.769 1.00 0.00 C ATOM 332 OE1 GLU A 22 13.315 9.588 -4.570 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.279 8.740 -2.548 1.00 0.00 O ATOM 0 H GLU A 22 11.164 5.352 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 22 9.132 6.566 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.743 8.445 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.435 7.858 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.559 6.596 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.864 7.142 -5.249 1.00 0.00 H new ATOM 340 N ASN A 23 11.508 5.091 -6.712 1.00 0.00 N ATOM 341 CA ASN A 23 11.886 4.637 -8.046 1.00 0.00 C ATOM 342 C ASN A 23 10.845 3.648 -8.570 1.00 0.00 C ATOM 343 O ASN A 23 11.043 3.003 -9.598 1.00 0.00 O ATOM 344 CB ASN A 23 13.268 3.976 -8.041 1.00 0.00 C ATOM 345 CG ASN A 23 14.425 4.952 -7.864 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.192 6.048 -7.163 1.00 0.00 O flip ATOM 347 ND2 ASN A 23 15.525 4.714 -8.358 1.00 0.00 N flip ATOM 0 H ASN A 23 11.937 4.566 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 23 11.929 5.509 -8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.303 3.239 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.403 3.435 -8.978 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.669 3.858 -8.893 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.294 5.373 -8.233 1.00 0.00 H new ATOM 354 N TYR A 24 9.743 3.530 -7.825 1.00 0.00 N ATOM 355 CA TYR A 24 8.596 2.707 -8.206 1.00 0.00 C ATOM 356 C TYR A 24 8.941 1.223 -8.259 1.00 0.00 C ATOM 357 O TYR A 24 8.319 0.457 -8.994 1.00 0.00 O ATOM 358 CB TYR A 24 8.021 3.181 -9.544 1.00 0.00 C ATOM 359 CG TYR A 24 7.624 4.639 -9.522 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.475 5.055 -8.864 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.413 5.600 -10.141 1.00 0.00 C ATOM 362 CE1 TYR A 24 6.119 6.390 -8.828 1.00 0.00 C ATOM 363 CE2 TYR A 24 8.067 6.936 -10.106 1.00 0.00 C ATOM 364 CZ TYR A 24 6.920 7.325 -9.449 1.00 0.00 C ATOM 365 OH TYR A 24 6.572 8.658 -9.411 1.00 0.00 O ATOM 0 H TYR A 24 9.622 4.008 -6.932 1.00 0.00 H new ATOM 0 HA TYR A 24 7.838 2.828 -7.433 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.759 3.021 -10.330 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.151 2.575 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.850 4.324 -8.373 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.312 5.297 -10.658 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.219 6.699 -8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.692 7.672 -10.591 1.00 0.00 H new ATOM 0 HH TYR A 24 7.242 9.185 -9.895 1.00 0.00 H new ATOM 375 N ASN A 25 9.911 0.811 -7.456 1.00 0.00 N ATOM 376 CA ASN A 25 10.255 -0.602 -7.361 1.00 0.00 C ATOM 377 C ASN A 25 9.632 -1.202 -6.110 1.00 0.00 C ATOM 378 O ASN A 25 9.606 -0.564 -5.057 1.00 0.00 O ATOM 379 CB ASN A 25 11.773 -0.813 -7.346 1.00 0.00 C ATOM 380 CG ASN A 25 12.456 -0.238 -8.573 1.00 0.00 C ATOM 381 OD1 ASN A 25 13.111 0.898 -8.407 1.00 0.00 O flip ATOM 382 ND2 ASN A 25 12.435 -0.835 -9.649 1.00 0.00 N flip ATOM 0 H ASN A 25 10.470 1.427 -6.866 1.00 0.00 H new ATOM 0 HA ASN A 25 9.859 -1.105 -8.243 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.191 -0.350 -6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.987 -1.880 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.918 -1.710 -9.737 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.935 -0.455 -10.453 1.00 0.00 H new ATOM 389 N LEU A 26 9.118 -2.418 -6.236 1.00 0.00 N ATOM 390 CA LEU A 26 8.461 -3.103 -5.132 1.00 0.00 C ATOM 391 C LEU A 26 9.494 -3.537 -4.092 1.00 0.00 C ATOM 392 O LEU A 26 10.378 -4.343 -4.383 1.00 0.00 O ATOM 393 CB LEU A 26 7.694 -4.316 -5.675 1.00 0.00 C ATOM 394 CG LEU A 26 6.556 -4.848 -4.800 1.00 0.00 C ATOM 395 CD1 LEU A 26 5.748 -5.876 -5.573 1.00 0.00 C ATOM 396 CD2 LEU A 26 7.085 -5.467 -3.516 1.00 0.00 C ATOM 0 H LEU A 26 9.145 -2.955 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 26 7.758 -2.426 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.282 -4.052 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.406 -5.125 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 26 5.917 -4.007 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.940 -6.251 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.329 -5.412 -6.466 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.395 -6.704 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.251 -5.834 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.750 -6.296 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.634 -4.715 -2.949 1.00 0.00 H new ATOM 408 N LEU A 27 9.373 -3.005 -2.885 1.00 0.00 N ATOM 409 CA LEU A 27 10.320 -3.296 -1.815 1.00 0.00 C ATOM 410 C LEU A 27 9.792 -4.394 -0.898 1.00 0.00 C ATOM 411 O LEU A 27 10.456 -5.406 -0.676 1.00 0.00 O ATOM 412 CB LEU A 27 10.582 -2.038 -0.984 1.00 0.00 C ATOM 413 CG LEU A 27 11.056 -0.817 -1.769 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.176 0.382 -0.843 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.383 -1.106 -2.455 1.00 0.00 C ATOM 0 H LEU A 27 8.624 -2.365 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 27 11.247 -3.635 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.665 -1.775 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.330 -2.274 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 27 10.321 -0.587 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.515 1.248 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.204 0.597 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.895 0.162 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.705 -0.225 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.133 -1.357 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.262 -1.943 -3.142 1.00 0.00 H new ATOM 427 N ASP A 28 8.589 -4.193 -0.379 1.00 0.00 N ATOM 428 CA ASP A 28 8.024 -5.101 0.612 1.00 0.00 C ATOM 429 C ASP A 28 6.601 -5.495 0.247 1.00 0.00 C ATOM 430 O ASP A 28 5.834 -4.681 -0.267 1.00 0.00 O ATOM 431 CB ASP A 28 8.046 -4.445 1.998 1.00 0.00 C ATOM 432 CG ASP A 28 7.323 -5.264 3.048 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.840 -6.337 3.428 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.244 -4.834 3.507 1.00 0.00 O ATOM 0 H ASP A 28 7.985 -3.410 -0.627 1.00 0.00 H new ATOM 0 HA ASP A 28 8.633 -6.005 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.080 -4.297 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.588 -3.458 1.935 1.00 0.00 H new ATOM 439 N THR A 29 6.267 -6.751 0.493 1.00 0.00 N ATOM 440 CA THR A 29 4.924 -7.250 0.264 1.00 0.00 C ATOM 441 C THR A 29 4.366 -7.845 1.553 1.00 0.00 C ATOM 442 O THR A 29 4.902 -8.825 2.071 1.00 0.00 O ATOM 443 CB THR A 29 4.929 -8.332 -0.829 1.00 0.00 C ATOM 444 OG1 THR A 29 5.712 -7.894 -1.946 1.00 0.00 O ATOM 445 CG2 THR A 29 3.517 -8.641 -1.296 1.00 0.00 C ATOM 0 H THR A 29 6.916 -7.449 0.855 1.00 0.00 H new ATOM 0 HA THR A 29 4.299 -6.418 -0.060 1.00 0.00 H new ATOM 0 HB THR A 29 5.363 -9.238 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.712 -8.588 -2.638 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.549 -9.409 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.925 -8.999 -0.453 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.062 -7.737 -1.701 1.00 0.00 H new ATOM 453 N SER A 30 3.304 -7.256 2.079 1.00 0.00 N ATOM 454 CA SER A 30 2.743 -7.713 3.340 1.00 0.00 C ATOM 455 C SER A 30 1.227 -7.875 3.248 1.00 0.00 C ATOM 456 O SER A 30 0.563 -7.199 2.457 1.00 0.00 O ATOM 457 CB SER A 30 3.117 -6.735 4.457 1.00 0.00 C ATOM 458 OG SER A 30 4.527 -6.671 4.622 1.00 0.00 O ATOM 0 H SER A 30 2.816 -6.466 1.656 1.00 0.00 H new ATOM 0 HA SER A 30 3.162 -8.693 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.729 -5.744 4.223 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.651 -7.048 5.391 1.00 0.00 H new ATOM 0 HG SER A 30 4.881 -5.906 4.121 1.00 0.00 H new ATOM 464 N GLY A 31 0.694 -8.797 4.038 1.00 0.00 N ATOM 465 CA GLY A 31 -0.736 -9.016 4.075 1.00 0.00 C ATOM 466 C GLY A 31 -1.236 -9.761 2.855 1.00 0.00 C ATOM 467 O GLY A 31 -0.503 -10.544 2.253 1.00 0.00 O ATOM 0 H GLY A 31 1.233 -9.401 4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.992 -9.580 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.247 -8.056 4.146 1.00 0.00 H new ATOM 471 N VAL A 32 -2.479 -9.499 2.481 1.00 0.00 N ATOM 472 CA VAL A 32 -3.102 -10.159 1.334 1.00 0.00 C ATOM 473 C VAL A 32 -2.402 -9.773 0.030 1.00 0.00 C ATOM 474 O VAL A 32 -2.522 -10.461 -0.983 1.00 0.00 O ATOM 475 CB VAL A 32 -4.600 -9.803 1.239 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.282 -10.600 0.140 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.292 -10.040 2.570 1.00 0.00 C ATOM 0 H VAL A 32 -3.084 -8.829 2.957 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.001 -11.234 1.484 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.677 -8.745 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.337 -10.329 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.810 -10.378 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.190 -11.665 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.348 -9.783 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.196 -11.090 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.830 -9.418 3.336 1.00 0.00 H new ATOM 487 N ALA A 33 -1.636 -8.691 0.070 1.00 0.00 N ATOM 488 CA ALA A 33 -0.919 -8.212 -1.109 1.00 0.00 C ATOM 489 C ALA A 33 0.087 -9.246 -1.616 1.00 0.00 C ATOM 490 O ALA A 33 0.603 -9.130 -2.729 1.00 0.00 O ATOM 491 CB ALA A 33 -0.215 -6.904 -0.793 1.00 0.00 C ATOM 0 H ALA A 33 -1.494 -8.126 0.907 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.649 -8.047 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.317 -6.554 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.951 -6.158 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.495 -7.060 0.019 1.00 0.00 H new ATOM 497 N LYS A 34 0.365 -10.251 -0.793 1.00 0.00 N ATOM 498 CA LYS A 34 1.288 -11.311 -1.164 1.00 0.00 C ATOM 499 C LYS A 34 0.653 -12.266 -2.169 1.00 0.00 C ATOM 500 O LYS A 34 1.340 -12.822 -3.025 1.00 0.00 O ATOM 501 CB LYS A 34 1.735 -12.074 0.081 1.00 0.00 C ATOM 502 CG LYS A 34 2.457 -11.203 1.097 1.00 0.00 C ATOM 503 CD LYS A 34 2.911 -12.001 2.307 1.00 0.00 C ATOM 504 CE LYS A 34 1.741 -12.663 3.020 1.00 0.00 C ATOM 505 NZ LYS A 34 2.175 -13.379 4.249 1.00 0.00 N ATOM 0 H LYS A 34 -0.039 -10.352 0.138 1.00 0.00 H new ATOM 0 HA LYS A 34 2.159 -10.856 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.863 -12.524 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.392 -12.890 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.321 -10.736 0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.796 -10.398 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.623 -12.764 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.434 -11.343 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.001 -11.907 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.254 -13.365 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.349 -13.816 4.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.862 -14.117 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.617 -12.705 4.906 1.00 0.00 H new ATOM 519 N VAL A 35 -0.661 -12.448 -2.073 1.00 0.00 N ATOM 520 CA VAL A 35 -1.368 -13.340 -2.984 1.00 0.00 C ATOM 521 C VAL A 35 -1.971 -12.556 -4.145 1.00 0.00 C ATOM 522 O VAL A 35 -2.235 -13.108 -5.214 1.00 0.00 O ATOM 523 CB VAL A 35 -2.482 -14.143 -2.268 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.911 -14.909 -1.088 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.615 -13.234 -1.818 1.00 0.00 C ATOM 0 H VAL A 35 -1.253 -11.993 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.633 -14.049 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.891 -14.858 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.708 -15.467 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.146 -15.601 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.469 -14.209 -0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.381 -13.827 -1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.228 -12.485 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.049 -12.737 -2.685 1.00 0.00 H new ATOM 535 N ILE A 36 -2.188 -11.267 -3.927 1.00 0.00 N ATOM 536 CA ILE A 36 -2.704 -10.396 -4.969 1.00 0.00 C ATOM 537 C ILE A 36 -1.624 -10.130 -6.013 1.00 0.00 C ATOM 538 O ILE A 36 -0.459 -9.907 -5.671 1.00 0.00 O ATOM 539 CB ILE A 36 -3.205 -9.062 -4.373 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.363 -9.326 -3.408 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.633 -8.099 -5.472 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.805 -8.102 -2.637 1.00 0.00 C ATOM 0 H ILE A 36 -2.014 -10.802 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.547 -10.896 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.385 -8.598 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.211 -9.716 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.066 -10.101 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.981 -7.168 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.785 -7.893 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.439 -8.546 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.629 -8.367 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.971 -7.724 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.134 -7.332 -3.335 1.00 0.00 H new ATOM 554 N GLU A 37 -2.014 -10.181 -7.282 1.00 0.00 N ATOM 555 CA GLU A 37 -1.085 -9.944 -8.375 1.00 0.00 C ATOM 556 C GLU A 37 -0.676 -8.478 -8.425 1.00 0.00 C ATOM 557 O GLU A 37 -1.420 -7.596 -7.999 1.00 0.00 O ATOM 558 CB GLU A 37 -1.685 -10.404 -9.706 1.00 0.00 C ATOM 559 CG GLU A 37 -3.087 -9.885 -9.976 1.00 0.00 C ATOM 560 CD GLU A 37 -3.690 -10.501 -11.219 1.00 0.00 C ATOM 561 OE1 GLU A 37 -3.453 -9.970 -12.326 1.00 0.00 O ATOM 562 OE2 GLU A 37 -4.390 -11.528 -11.098 1.00 0.00 O ATOM 0 H GLU A 37 -2.969 -10.385 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.185 -10.533 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.030 -10.083 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.704 -11.494 -9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.725 -10.101 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.057 -8.801 -10.087 1.00 0.00 H new ATOM 569 N LYS A 38 0.516 -8.229 -8.944 1.00 0.00 N ATOM 570 CA LYS A 38 1.131 -6.914 -8.853 1.00 0.00 C ATOM 571 C LYS A 38 0.577 -5.942 -9.886 1.00 0.00 C ATOM 572 O LYS A 38 0.337 -4.785 -9.562 1.00 0.00 O ATOM 573 CB LYS A 38 2.653 -7.034 -8.960 1.00 0.00 C ATOM 574 CG LYS A 38 3.332 -7.349 -7.629 1.00 0.00 C ATOM 575 CD LYS A 38 2.692 -8.539 -6.921 1.00 0.00 C ATOM 576 CE LYS A 38 3.301 -8.773 -5.547 1.00 0.00 C ATOM 577 NZ LYS A 38 2.613 -9.866 -4.810 1.00 0.00 N ATOM 0 H LYS A 38 1.079 -8.924 -9.435 1.00 0.00 H new ATOM 0 HA LYS A 38 0.881 -6.500 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.899 -7.816 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.057 -6.101 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.388 -7.557 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.282 -6.474 -6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.620 -8.368 -6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.816 -9.434 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.357 -9.019 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.246 -7.853 -4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.317 -10.441 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.946 -9.457 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.094 -10.466 -5.483 1.00 0.00 H new ATOM 591 N SER A 39 0.388 -6.399 -11.122 1.00 0.00 N ATOM 592 CA SER A 39 -0.260 -5.582 -12.153 1.00 0.00 C ATOM 593 C SER A 39 0.531 -4.285 -12.436 1.00 0.00 C ATOM 594 O SER A 39 1.603 -4.065 -11.864 1.00 0.00 O ATOM 595 CB SER A 39 -1.695 -5.265 -11.700 1.00 0.00 C ATOM 596 OG SER A 39 -2.441 -6.456 -11.520 1.00 0.00 O ATOM 0 H SER A 39 0.672 -7.327 -11.436 1.00 0.00 H new ATOM 0 HA SER A 39 -0.284 -6.142 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.670 -4.702 -10.767 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.184 -4.633 -12.441 1.00 0.00 H new ATOM 0 HG SER A 39 -3.226 -6.269 -10.964 1.00 0.00 H new ATOM 602 N PRO A 40 0.044 -3.414 -13.351 1.00 0.00 N ATOM 603 CA PRO A 40 0.669 -2.105 -13.603 1.00 0.00 C ATOM 604 C PRO A 40 0.383 -1.082 -12.495 1.00 0.00 C ATOM 605 O PRO A 40 0.093 0.083 -12.773 1.00 0.00 O ATOM 606 CB PRO A 40 0.021 -1.658 -14.916 1.00 0.00 C ATOM 607 CG PRO A 40 -1.308 -2.324 -14.928 1.00 0.00 C ATOM 608 CD PRO A 40 -1.109 -3.650 -14.251 1.00 0.00 C ATOM 0 HA PRO A 40 1.756 -2.178 -13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.079 -0.573 -14.959 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.621 -1.957 -15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.050 -1.724 -14.402 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.670 -2.456 -15.948 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.996 -3.953 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.899 -4.440 -14.972 1.00 0.00 H new ATOM 616 N ILE A 41 0.495 -1.512 -11.241 1.00 0.00 N ATOM 617 CA ILE A 41 0.251 -0.628 -10.103 1.00 0.00 C ATOM 618 C ILE A 41 1.257 0.518 -10.072 1.00 0.00 C ATOM 619 O ILE A 41 0.905 1.644 -9.737 1.00 0.00 O ATOM 620 CB ILE A 41 0.295 -1.392 -8.756 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.933 -2.292 -8.620 1.00 0.00 C ATOM 622 CG2 ILE A 41 0.372 -0.429 -7.579 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.989 -3.046 -7.306 1.00 0.00 C ATOM 0 H ILE A 41 0.753 -2.466 -10.987 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.752 -0.221 -10.233 1.00 0.00 H new ATOM 0 HB ILE A 41 1.193 -2.009 -8.747 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.832 -1.684 -8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.941 -3.009 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.402 -0.994 -6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.273 0.178 -7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.504 0.220 -7.582 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.886 -3.664 -7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.108 -3.681 -7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.013 -2.336 -6.480 1.00 0.00 H new ATOM 635 N ALA A 42 2.496 0.235 -10.453 1.00 0.00 N ATOM 636 CA ALA A 42 3.554 1.243 -10.439 1.00 0.00 C ATOM 637 C ALA A 42 3.177 2.437 -11.312 1.00 0.00 C ATOM 638 O ALA A 42 3.397 3.593 -10.935 1.00 0.00 O ATOM 639 CB ALA A 42 4.870 0.636 -10.903 1.00 0.00 C ATOM 0 H ALA A 42 2.796 -0.685 -10.776 1.00 0.00 H new ATOM 0 HA ALA A 42 3.677 1.597 -9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.648 1.399 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.149 -0.181 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.757 0.254 -11.918 1.00 0.00 H new ATOM 645 N GLU A 43 2.590 2.144 -12.465 1.00 0.00 N ATOM 646 CA GLU A 43 2.110 3.173 -13.378 1.00 0.00 C ATOM 647 C GLU A 43 1.021 4.012 -12.710 1.00 0.00 C ATOM 648 O GLU A 43 0.961 5.230 -12.870 1.00 0.00 O ATOM 649 CB GLU A 43 1.558 2.526 -14.650 1.00 0.00 C ATOM 650 CG GLU A 43 1.139 3.526 -15.714 1.00 0.00 C ATOM 651 CD GLU A 43 2.313 4.271 -16.314 1.00 0.00 C ATOM 652 OE1 GLU A 43 2.780 5.252 -15.704 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.771 3.873 -17.406 1.00 0.00 O ATOM 0 H GLU A 43 2.434 1.191 -12.793 1.00 0.00 H new ATOM 0 HA GLU A 43 2.945 3.824 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.315 1.862 -15.067 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.700 1.907 -14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.603 3.003 -16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.444 4.243 -15.278 1.00 0.00 H new ATOM 660 N ILE A 44 0.168 3.355 -11.941 1.00 0.00 N ATOM 661 CA ILE A 44 -0.933 4.040 -11.285 1.00 0.00 C ATOM 662 C ILE A 44 -0.437 4.796 -10.052 1.00 0.00 C ATOM 663 O ILE A 44 -1.003 5.822 -9.676 1.00 0.00 O ATOM 664 CB ILE A 44 -2.057 3.061 -10.878 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.363 2.081 -12.015 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.318 3.831 -10.503 1.00 0.00 C ATOM 667 CD1 ILE A 44 -2.826 2.750 -13.292 1.00 0.00 C ATOM 0 H ILE A 44 0.216 2.353 -11.756 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.345 4.749 -12.003 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.716 2.493 -10.013 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.469 1.495 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.131 1.382 -11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.102 3.129 -10.218 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.103 4.495 -9.665 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.652 4.421 -11.357 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.023 1.991 -14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.738 3.314 -13.097 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.051 3.427 -13.650 1.00 0.00 H new ATOM 679 N ILE A 45 0.634 4.300 -9.436 1.00 0.00 N ATOM 680 CA ILE A 45 1.211 4.947 -8.266 1.00 0.00 C ATOM 681 C ILE A 45 1.695 6.349 -8.612 1.00 0.00 C ATOM 682 O ILE A 45 1.411 7.308 -7.892 1.00 0.00 O ATOM 683 CB ILE A 45 2.383 4.132 -7.661 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.862 2.840 -7.036 1.00 0.00 C ATOM 685 CG2 ILE A 45 3.132 4.959 -6.625 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.943 2.000 -6.392 1.00 0.00 C ATOM 0 H ILE A 45 1.118 3.452 -9.730 1.00 0.00 H new ATOM 0 HA ILE A 45 0.420 5.005 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 45 3.076 3.877 -8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.110 3.086 -6.286 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.364 2.249 -7.805 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.951 4.370 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.533 5.857 -7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.450 5.244 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.500 1.098 -5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.684 1.723 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.426 2.573 -5.600 1.00 0.00 H new ATOM 698 N ARG A 46 2.410 6.463 -9.726 1.00 0.00 N ATOM 699 CA ARG A 46 2.927 7.747 -10.171 1.00 0.00 C ATOM 700 C ARG A 46 1.795 8.666 -10.622 1.00 0.00 C ATOM 701 O ARG A 46 1.804 9.865 -10.338 1.00 0.00 O ATOM 702 CB ARG A 46 3.950 7.548 -11.290 1.00 0.00 C ATOM 703 CG ARG A 46 3.459 6.701 -12.449 1.00 0.00 C ATOM 704 CD ARG A 46 4.596 6.290 -13.369 1.00 0.00 C ATOM 705 NE ARG A 46 5.339 7.436 -13.890 1.00 0.00 N ATOM 706 CZ ARG A 46 5.410 7.749 -15.184 1.00 0.00 C ATOM 707 NH1 ARG A 46 4.688 7.078 -16.073 1.00 0.00 N ATOM 708 NH2 ARG A 46 6.188 8.745 -15.585 1.00 0.00 N ATOM 0 H ARG A 46 2.644 5.680 -10.336 1.00 0.00 H new ATOM 0 HA ARG A 46 3.427 8.227 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.247 8.525 -11.671 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.843 7.084 -10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.963 5.810 -12.064 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.715 7.259 -13.018 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.278 5.635 -12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.194 5.713 -14.202 1.00 0.00 H new ATOM 0 HE ARG A 46 5.832 8.031 -13.224 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.077 6.321 -15.767 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.744 7.320 -17.062 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.733 9.273 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.241 8.983 -16.575 1.00 0.00 H new ATOM 722 N LYS A 47 0.811 8.098 -11.303 1.00 0.00 N ATOM 723 CA LYS A 47 -0.365 8.857 -11.711 1.00 0.00 C ATOM 724 C LYS A 47 -1.095 9.398 -10.489 1.00 0.00 C ATOM 725 O LYS A 47 -1.439 10.578 -10.431 1.00 0.00 O ATOM 726 CB LYS A 47 -1.307 7.993 -12.549 1.00 0.00 C ATOM 727 CG LYS A 47 -0.729 7.607 -13.898 1.00 0.00 C ATOM 728 CD LYS A 47 -1.736 6.840 -14.735 1.00 0.00 C ATOM 729 CE LYS A 47 -1.186 6.551 -16.118 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.212 5.953 -17.012 1.00 0.00 N ATOM 0 H LYS A 47 0.802 7.118 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.033 9.695 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.549 7.087 -11.993 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.242 8.532 -12.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.419 8.505 -14.432 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.163 6.998 -13.752 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.989 5.904 -14.238 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.658 7.416 -14.819 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.814 7.475 -16.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.337 5.872 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.794 5.771 -17.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.549 5.058 -16.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.011 6.611 -17.112 1.00 0.00 H new ATOM 744 N SER A 48 -1.302 8.536 -9.503 1.00 0.00 N ATOM 745 CA SER A 48 -1.962 8.932 -8.273 1.00 0.00 C ATOM 746 C SER A 48 -1.072 9.863 -7.455 1.00 0.00 C ATOM 747 O SER A 48 -1.546 10.579 -6.589 1.00 0.00 O ATOM 748 CB SER A 48 -2.327 7.705 -7.444 1.00 0.00 C ATOM 749 OG SER A 48 -3.062 6.770 -8.213 1.00 0.00 O ATOM 0 H SER A 48 -1.020 7.556 -9.534 1.00 0.00 H new ATOM 0 HA SER A 48 -2.875 9.466 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.419 7.235 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.914 8.009 -6.577 1.00 0.00 H new ATOM 0 HG SER A 48 -2.471 6.354 -8.875 1.00 0.00 H new ATOM 755 N ASN A 49 0.225 9.843 -7.729 1.00 0.00 N ATOM 756 CA ASN A 49 1.154 10.742 -7.056 1.00 0.00 C ATOM 757 C ASN A 49 0.905 12.175 -7.513 1.00 0.00 C ATOM 758 O ASN A 49 1.057 13.125 -6.749 1.00 0.00 O ATOM 759 CB ASN A 49 2.601 10.330 -7.347 1.00 0.00 C ATOM 760 CG ASN A 49 3.625 11.295 -6.773 1.00 0.00 C ATOM 761 OD1 ASN A 49 4.008 11.184 -5.612 1.00 0.00 O ATOM 762 ND2 ASN A 49 4.098 12.222 -7.594 1.00 0.00 N ATOM 0 H ASN A 49 0.657 9.218 -8.409 1.00 0.00 H new ATOM 0 HA ASN A 49 0.992 10.681 -5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.778 9.336 -6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.742 10.260 -8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.808 12.878 -7.268 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.752 12.279 -8.552 1.00 0.00 H new ATOM 769 N ALA A 50 0.508 12.310 -8.767 1.00 0.00 N ATOM 770 CA ALA A 50 0.133 13.606 -9.315 1.00 0.00 C ATOM 771 C ALA A 50 -1.258 13.997 -8.826 1.00 0.00 C ATOM 772 O ALA A 50 -1.576 15.178 -8.685 1.00 0.00 O ATOM 773 CB ALA A 50 0.178 13.571 -10.834 1.00 0.00 C ATOM 0 H ALA A 50 0.436 11.536 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 50 0.846 14.355 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.105 14.547 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.188 13.325 -11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.517 12.816 -11.201 1.00 0.00 H new ATOM 779 N GLU A 51 -2.067 12.983 -8.548 1.00 0.00 N ATOM 780 CA GLU A 51 -3.423 13.182 -8.054 1.00 0.00 C ATOM 781 C GLU A 51 -3.426 13.639 -6.600 1.00 0.00 C ATOM 782 O GLU A 51 -4.210 14.507 -6.214 1.00 0.00 O ATOM 783 CB GLU A 51 -4.217 11.877 -8.163 1.00 0.00 C ATOM 784 CG GLU A 51 -4.426 11.396 -9.585 1.00 0.00 C ATOM 785 CD GLU A 51 -5.366 12.286 -10.362 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.594 12.153 -10.180 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.888 13.122 -11.156 1.00 0.00 O ATOM 0 H GLU A 51 -1.803 12.004 -8.658 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.885 13.957 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.698 11.101 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.190 12.016 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.464 11.354 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.823 10.381 -9.568 1.00 0.00 H new ATOM 794 N LEU A 52 -2.552 13.054 -5.795 1.00 0.00 N ATOM 795 CA LEU A 52 -2.610 13.242 -4.356 1.00 0.00 C ATOM 796 C LEU A 52 -1.234 13.160 -3.707 1.00 0.00 C ATOM 797 O LEU A 52 -0.238 12.846 -4.359 1.00 0.00 O ATOM 798 CB LEU A 52 -3.537 12.179 -3.754 1.00 0.00 C ATOM 799 CG LEU A 52 -3.217 10.728 -4.141 1.00 0.00 C ATOM 800 CD1 LEU A 52 -1.961 10.222 -3.457 1.00 0.00 C ATOM 801 CD2 LEU A 52 -4.383 9.833 -3.816 1.00 0.00 C ATOM 0 H LEU A 52 -1.797 12.447 -6.114 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.996 14.242 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.501 12.263 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.560 12.400 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.036 10.708 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.772 9.192 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.114 10.845 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.093 10.265 -2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.143 8.807 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.590 9.879 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.261 10.164 -4.370 1.00 0.00 H new ATOM 813 N GLY A 53 -1.206 13.426 -2.410 1.00 0.00 N ATOM 814 CA GLY A 53 -0.007 13.242 -1.621 1.00 0.00 C ATOM 815 C GLY A 53 -0.327 12.746 -0.220 1.00 0.00 C ATOM 816 O GLY A 53 0.563 12.334 0.523 1.00 0.00 O ATOM 0 H GLY A 53 -2.008 13.772 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.650 12.529 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.536 14.185 -1.558 1.00 0.00 H new ATOM 820 N ARG A 54 -1.608 12.784 0.135 1.00 0.00 N ATOM 821 CA ARG A 54 -2.050 12.402 1.473 1.00 0.00 C ATOM 822 C ARG A 54 -3.150 11.338 1.411 1.00 0.00 C ATOM 823 O ARG A 54 -3.235 10.473 2.282 1.00 0.00 O ATOM 824 CB ARG A 54 -2.532 13.657 2.222 1.00 0.00 C ATOM 825 CG ARG A 54 -3.134 13.410 3.602 1.00 0.00 C ATOM 826 CD ARG A 54 -4.631 13.137 3.525 1.00 0.00 C ATOM 827 NE ARG A 54 -5.364 13.771 4.620 1.00 0.00 N ATOM 828 CZ ARG A 54 -6.443 14.535 4.445 1.00 0.00 C ATOM 829 NH1 ARG A 54 -6.960 14.682 3.233 1.00 0.00 N ATOM 830 NH2 ARG A 54 -7.016 15.138 5.477 1.00 0.00 N ATOM 0 H ARG A 54 -2.361 13.077 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.212 11.962 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.689 14.340 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.276 14.163 1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.634 12.563 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.955 14.277 4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.017 13.501 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.804 12.061 3.549 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.031 13.620 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.533 14.211 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.785 15.266 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.632 15.020 6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.841 15.720 5.334 1.00 0.00 H new ATOM 844 N LEU A 55 -3.995 11.410 0.390 1.00 0.00 N ATOM 845 CA LEU A 55 -5.094 10.455 0.252 1.00 0.00 C ATOM 846 C LEU A 55 -4.615 9.158 -0.388 1.00 0.00 C ATOM 847 O LEU A 55 -3.489 9.073 -0.879 1.00 0.00 O ATOM 848 CB LEU A 55 -6.249 11.033 -0.584 1.00 0.00 C ATOM 849 CG LEU A 55 -7.049 12.180 0.053 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.487 11.816 1.463 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.254 13.477 0.055 1.00 0.00 C ATOM 0 H LEU A 55 -3.944 12.111 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.459 10.250 1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.841 11.386 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.940 10.223 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.941 12.337 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.051 12.643 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.115 10.926 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.609 11.618 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.849 14.268 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.335 13.339 0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.008 13.755 -0.970 1.00 0.00 H new ATOM 863 N GLY A 56 -5.475 8.150 -0.368 1.00 0.00 N ATOM 864 CA GLY A 56 -5.163 6.890 -1.003 1.00 0.00 C ATOM 865 C GLY A 56 -6.057 6.618 -2.191 1.00 0.00 C ATOM 866 O GLY A 56 -7.225 6.253 -2.036 1.00 0.00 O ATOM 0 H GLY A 56 -6.390 8.185 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.122 6.895 -1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.268 6.083 -0.278 1.00 0.00 H new ATOM 870 N TYR A 57 -5.505 6.802 -3.378 1.00 0.00 N ATOM 871 CA TYR A 57 -6.238 6.586 -4.616 1.00 0.00 C ATOM 872 C TYR A 57 -6.296 5.098 -4.919 1.00 0.00 C ATOM 873 O TYR A 57 -5.290 4.401 -4.795 1.00 0.00 O ATOM 874 CB TYR A 57 -5.540 7.326 -5.762 1.00 0.00 C ATOM 875 CG TYR A 57 -6.343 7.435 -7.034 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.186 8.518 -7.249 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.247 6.471 -8.028 1.00 0.00 C ATOM 878 CE1 TYR A 57 -7.910 8.635 -8.417 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.969 6.582 -9.198 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.799 7.665 -9.387 1.00 0.00 C ATOM 881 OH TYR A 57 -8.521 7.780 -10.552 1.00 0.00 O ATOM 0 H TYR A 57 -4.540 7.104 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.253 6.969 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.285 8.330 -5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.602 6.817 -5.985 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.276 9.280 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.597 5.621 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.561 9.483 -8.570 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.884 5.824 -9.962 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.329 7.014 -11.133 1.00 0.00 H new ATOM 891 N SER A 58 -7.470 4.606 -5.292 1.00 0.00 N ATOM 892 CA SER A 58 -7.619 3.202 -5.628 1.00 0.00 C ATOM 893 C SER A 58 -6.861 2.884 -6.912 1.00 0.00 C ATOM 894 O SER A 58 -7.254 3.300 -8.001 1.00 0.00 O ATOM 895 CB SER A 58 -9.099 2.857 -5.786 1.00 0.00 C ATOM 896 OG SER A 58 -9.836 3.247 -4.637 1.00 0.00 O ATOM 0 H SER A 58 -8.326 5.156 -5.368 1.00 0.00 H new ATOM 0 HA SER A 58 -7.202 2.600 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.501 3.357 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.211 1.785 -5.948 1.00 0.00 H new ATOM 0 HG SER A 58 -10.781 3.018 -4.761 1.00 0.00 H new ATOM 902 N VAL A 59 -5.770 2.147 -6.774 1.00 0.00 N ATOM 903 CA VAL A 59 -4.930 1.807 -7.908 1.00 0.00 C ATOM 904 C VAL A 59 -5.282 0.430 -8.445 1.00 0.00 C ATOM 905 O VAL A 59 -5.135 0.157 -9.636 1.00 0.00 O ATOM 906 CB VAL A 59 -3.433 1.852 -7.537 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.036 3.253 -7.112 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.105 0.852 -6.436 1.00 0.00 C ATOM 0 H VAL A 59 -5.446 1.772 -5.883 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.115 2.552 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.860 1.576 -8.422 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.977 3.268 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.220 3.948 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.626 3.551 -6.245 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.043 0.909 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.689 1.086 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.348 -0.155 -6.775 1.00 0.00 H new ATOM 918 N TYR A 60 -5.755 -0.435 -7.560 1.00 0.00 N ATOM 919 CA TYR A 60 -6.135 -1.779 -7.945 1.00 0.00 C ATOM 920 C TYR A 60 -7.414 -2.190 -7.231 1.00 0.00 C ATOM 921 O TYR A 60 -7.388 -2.546 -6.058 1.00 0.00 O ATOM 922 CB TYR A 60 -5.001 -2.757 -7.613 1.00 0.00 C ATOM 923 CG TYR A 60 -5.304 -4.200 -7.966 1.00 0.00 C ATOM 924 CD1 TYR A 60 -5.103 -4.676 -9.252 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.787 -5.085 -7.009 1.00 0.00 C ATOM 926 CE1 TYR A 60 -5.377 -5.992 -9.579 1.00 0.00 C ATOM 927 CE2 TYR A 60 -6.064 -6.400 -7.328 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.858 -6.849 -8.613 1.00 0.00 C ATOM 929 OH TYR A 60 -6.138 -8.160 -8.938 1.00 0.00 O ATOM 0 H TYR A 60 -5.884 -0.226 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.317 -1.801 -9.020 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.101 -2.446 -8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.781 -2.693 -6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.726 -4.008 -10.012 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.948 -4.738 -5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.215 -6.346 -10.586 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.441 -7.073 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.038 -8.390 -8.625 1.00 0.00 H new ATOM 939 N GLU A 61 -8.533 -2.106 -7.925 1.00 0.00 N ATOM 940 CA GLU A 61 -9.790 -2.562 -7.365 1.00 0.00 C ATOM 941 C GLU A 61 -10.118 -3.947 -7.901 1.00 0.00 C ATOM 942 O GLU A 61 -10.362 -4.134 -9.096 1.00 0.00 O ATOM 943 CB GLU A 61 -10.923 -1.572 -7.649 1.00 0.00 C ATOM 944 CG GLU A 61 -12.274 -2.028 -7.109 1.00 0.00 C ATOM 945 CD GLU A 61 -13.236 -0.883 -6.849 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.142 0.160 -7.529 1.00 0.00 O ATOM 947 OE2 GLU A 61 -14.097 -1.023 -5.953 1.00 0.00 O ATOM 0 H GLU A 61 -8.597 -1.729 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.686 -2.621 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.671 -0.607 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.002 -1.421 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.727 -2.719 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.119 -2.580 -6.182 1.00 0.00 H new ATOM 954 N ASP A 62 -10.093 -4.911 -7.004 1.00 0.00 N ATOM 955 CA ASP A 62 -10.334 -6.299 -7.336 1.00 0.00 C ATOM 956 C ASP A 62 -11.683 -6.690 -6.768 1.00 0.00 C ATOM 957 O ASP A 62 -12.246 -5.947 -5.964 1.00 0.00 O ATOM 958 CB ASP A 62 -9.220 -7.168 -6.734 1.00 0.00 C ATOM 959 CG ASP A 62 -9.304 -8.627 -7.131 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.711 -9.002 -8.160 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.951 -9.409 -6.406 1.00 0.00 O ATOM 0 H ASP A 62 -9.903 -4.751 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.336 -6.445 -8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.254 -6.771 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.260 -7.093 -5.647 1.00 0.00 H new ATOM 966 N ALA A 63 -12.203 -7.835 -7.167 1.00 0.00 N ATOM 967 CA ALA A 63 -13.479 -8.292 -6.652 1.00 0.00 C ATOM 968 C ALA A 63 -13.356 -8.674 -5.181 1.00 0.00 C ATOM 969 O ALA A 63 -14.348 -8.734 -4.455 1.00 0.00 O ATOM 970 CB ALA A 63 -13.990 -9.467 -7.470 1.00 0.00 C ATOM 0 H ALA A 63 -11.765 -8.462 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.198 -7.477 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.949 -9.799 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.116 -9.160 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.273 -10.286 -7.418 1.00 0.00 H new ATOM 976 N GLN A 64 -12.129 -8.929 -4.750 1.00 0.00 N ATOM 977 CA GLN A 64 -11.861 -9.292 -3.370 1.00 0.00 C ATOM 978 C GLN A 64 -11.462 -8.068 -2.542 1.00 0.00 C ATOM 979 O GLN A 64 -12.079 -7.768 -1.519 1.00 0.00 O ATOM 980 CB GLN A 64 -10.741 -10.330 -3.316 1.00 0.00 C ATOM 981 CG GLN A 64 -10.991 -11.548 -4.186 1.00 0.00 C ATOM 982 CD GLN A 64 -9.790 -12.471 -4.236 1.00 0.00 C ATOM 983 OE1 GLN A 64 -9.665 -13.400 -3.435 1.00 0.00 O ATOM 984 NE2 GLN A 64 -8.889 -12.204 -5.166 1.00 0.00 N ATOM 0 H GLN A 64 -11.300 -8.890 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.775 -9.710 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.808 -9.860 -3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.608 -10.654 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.852 -12.095 -3.803 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.242 -11.225 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.034 -11.425 -5.808 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.049 -12.777 -5.242 1.00 0.00 H new ATOM 993 N TYR A 65 -10.428 -7.363 -2.990 1.00 0.00 N ATOM 994 CA TYR A 65 -9.851 -6.266 -2.214 1.00 0.00 C ATOM 995 C TYR A 65 -9.572 -5.057 -3.105 1.00 0.00 C ATOM 996 O TYR A 65 -9.637 -5.150 -4.327 1.00 0.00 O ATOM 997 CB TYR A 65 -8.550 -6.722 -1.538 1.00 0.00 C ATOM 998 CG TYR A 65 -8.686 -7.995 -0.730 1.00 0.00 C ATOM 999 CD1 TYR A 65 -9.112 -7.959 0.589 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.402 -9.232 -1.290 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -9.252 -9.118 1.328 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -8.538 -10.397 -0.559 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.966 -10.334 0.749 1.00 0.00 C ATOM 1004 OH TYR A 65 -9.102 -11.493 1.482 1.00 0.00 O ATOM 0 H TYR A 65 -9.971 -7.530 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.572 -5.976 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.788 -6.870 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.195 -5.926 -0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.339 -7.008 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.069 -9.286 -2.316 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.584 -9.070 2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.310 -11.351 -1.011 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.862 -12.263 0.925 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.263 -3.924 -2.484 1.00 0.00 N ATOM 1015 CA ILE A 66 -8.974 -2.696 -3.214 1.00 0.00 C ATOM 1016 C ILE A 66 -7.683 -2.063 -2.705 1.00 0.00 C ATOM 1017 O ILE A 66 -7.558 -1.764 -1.518 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.106 -1.662 -3.060 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.446 -2.266 -3.476 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.801 -0.422 -3.890 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.631 -1.379 -3.159 1.00 0.00 C ATOM 0 H ILE A 66 -9.206 -3.831 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.877 -2.970 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.172 -1.373 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.428 -2.467 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.575 -3.225 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.608 0.301 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.864 0.021 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.712 -0.700 -4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.549 -1.870 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.673 -1.199 -2.085 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.525 -0.429 -3.682 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.742 -1.850 -3.606 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.478 -1.242 -3.242 1.00 0.00 C ATOM 1035 C GLY A 67 -5.490 0.260 -3.440 1.00 0.00 C ATOM 1036 O GLY A 67 -6.053 0.756 -4.413 1.00 0.00 O ATOM 0 H GLY A 67 -6.830 -2.089 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.254 -1.468 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.680 -1.680 -3.841 1.00 0.00 H new ATOM 1040 N HIS A 68 -4.875 0.981 -2.514 1.00 0.00 N ATOM 1041 CA HIS A 68 -4.837 2.442 -2.560 1.00 0.00 C ATOM 1042 C HIS A 68 -3.396 2.930 -2.442 1.00 0.00 C ATOM 1043 O HIS A 68 -2.675 2.511 -1.541 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.656 3.050 -1.409 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.035 2.485 -1.246 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.159 3.036 -1.828 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.472 1.419 -0.533 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.222 2.334 -1.479 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -8.832 1.348 -0.691 1.00 0.00 N ATOM 0 H HIS A 68 -4.390 0.577 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.265 2.757 -3.511 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.108 2.906 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.737 4.125 -1.569 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.167 3.857 -2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.861 0.748 0.053 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.238 2.533 -1.786 1.00 0.00 H new ATOM 1058 N ALA A 69 -2.978 3.817 -3.341 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.612 4.337 -3.315 1.00 0.00 C ATOM 1060 C ALA A 69 -1.481 5.525 -2.375 1.00 0.00 C ATOM 1061 O ALA A 69 -2.172 6.533 -2.533 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.163 4.756 -4.706 1.00 0.00 C ATOM 0 H ALA A 69 -3.560 4.189 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.975 3.530 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.144 5.139 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.197 3.895 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.826 5.534 -5.083 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.563 5.414 -1.431 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.267 6.497 -0.512 1.00 0.00 C ATOM 1070 C PHE A 70 1.160 6.983 -0.711 1.00 0.00 C ATOM 1071 O PHE A 70 2.064 6.188 -0.974 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.454 6.048 0.936 1.00 0.00 C ATOM 1073 CG PHE A 70 -1.885 5.814 1.306 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.469 4.574 1.120 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.647 6.838 1.839 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -3.787 4.358 1.459 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -3.966 6.629 2.180 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.538 5.389 1.990 1.00 0.00 C ATOM 0 H PHE A 70 -0.004 4.574 -1.281 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.960 7.313 -0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.111 5.130 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.034 6.803 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.885 3.766 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.204 7.811 1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.232 3.385 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.551 7.436 2.596 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.572 5.224 2.256 1.00 0.00 H new ATOM 1088 N LYS A 71 1.346 8.286 -0.621 1.00 0.00 N ATOM 1089 CA LYS A 71 2.679 8.867 -0.671 1.00 0.00 C ATOM 1090 C LYS A 71 3.334 8.793 0.700 1.00 0.00 C ATOM 1091 O LYS A 71 2.769 9.257 1.692 1.00 0.00 O ATOM 1092 CB LYS A 71 2.630 10.319 -1.149 1.00 0.00 C ATOM 1093 CG LYS A 71 2.768 10.500 -2.657 1.00 0.00 C ATOM 1094 CD LYS A 71 1.527 10.059 -3.423 1.00 0.00 C ATOM 1095 CE LYS A 71 1.584 8.588 -3.804 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.380 8.168 -4.570 1.00 0.00 N ATOM 0 H LYS A 71 0.592 8.965 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 71 3.271 8.293 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.686 10.761 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.426 10.876 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.970 11.549 -2.875 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.628 9.930 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.642 10.241 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.424 10.663 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.477 8.401 -4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.670 7.982 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.663 7.523 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.283 7.681 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.082 9.006 -4.977 1.00 0.00 H new ATOM 1110 N LYS A 72 4.513 8.199 0.750 1.00 0.00 N ATOM 1111 CA LYS A 72 5.245 8.047 1.998 1.00 0.00 C ATOM 1112 C LYS A 72 6.572 8.786 1.911 1.00 0.00 C ATOM 1113 O LYS A 72 6.900 9.359 0.870 1.00 0.00 O ATOM 1114 CB LYS A 72 5.496 6.567 2.295 1.00 0.00 C ATOM 1115 CG LYS A 72 4.241 5.708 2.269 1.00 0.00 C ATOM 1116 CD LYS A 72 3.244 6.104 3.352 1.00 0.00 C ATOM 1117 CE LYS A 72 3.838 5.975 4.746 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.834 6.267 5.801 1.00 0.00 N ATOM 0 H LYS A 72 4.988 7.811 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 72 4.648 8.469 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.206 6.176 1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.964 6.478 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.765 5.794 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.517 4.662 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.921 7.132 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.357 5.475 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.227 4.966 4.884 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.681 6.659 4.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.276 6.169 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.481 7.238 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.041 5.599 5.720 1.00 0.00 H new ATOM 1132 N ALA A 73 7.341 8.758 2.991 1.00 0.00 N ATOM 1133 CA ALA A 73 8.633 9.430 3.025 1.00 0.00 C ATOM 1134 C ALA A 73 9.623 8.753 2.083 1.00 0.00 C ATOM 1135 O ALA A 73 10.217 7.724 2.419 1.00 0.00 O ATOM 1136 CB ALA A 73 9.176 9.459 4.445 1.00 0.00 C ATOM 0 H ALA A 73 7.093 8.277 3.855 1.00 0.00 H new ATOM 0 HA ALA A 73 8.495 10.457 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.142 9.964 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.480 9.995 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.296 8.439 4.809 1.00 0.00 H new ATOM 1142 N GLY A 74 9.766 9.321 0.889 1.00 0.00 N ATOM 1143 CA GLY A 74 10.669 8.772 -0.107 1.00 0.00 C ATOM 1144 C GLY A 74 10.204 7.431 -0.640 1.00 0.00 C ATOM 1145 O GLY A 74 10.967 6.715 -1.287 1.00 0.00 O ATOM 0 H GLY A 74 9.267 10.160 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.762 9.475 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.661 8.661 0.330 1.00 0.00 H new ATOM 1149 N HIS A 75 8.951 7.088 -0.367 1.00 0.00 N ATOM 1150 CA HIS A 75 8.408 5.793 -0.750 1.00 0.00 C ATOM 1151 C HIS A 75 6.955 5.927 -1.186 1.00 0.00 C ATOM 1152 O HIS A 75 6.342 6.983 -1.027 1.00 0.00 O ATOM 1153 CB HIS A 75 8.496 4.806 0.421 1.00 0.00 C ATOM 1154 CG HIS A 75 9.891 4.387 0.771 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.926 4.002 -0.011 1.00 0.00 N flip ATOM 1156 CD2 HIS A 75 10.354 4.323 2.066 1.00 0.00 C flip ATOM 1157 CE1 HIS A 75 11.979 3.718 0.816 1.00 0.00 C flip ATOM 1158 NE2 HIS A 75 11.611 3.924 2.065 1.00 0.00 N flip ATOM 0 H HIS A 75 8.290 7.693 0.121 1.00 0.00 H new ATOM 0 HA HIS A 75 8.999 5.416 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.034 5.259 1.298 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.913 3.918 0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.777 4.563 2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.954 3.380 0.497 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.198 3.797 2.889 1.00 0.00 H new ATOM 1167 N PHE A 76 6.409 4.852 -1.729 1.00 0.00 N ATOM 1168 CA PHE A 76 5.016 4.814 -2.140 1.00 0.00 C ATOM 1169 C PHE A 76 4.397 3.493 -1.707 1.00 0.00 C ATOM 1170 O PHE A 76 4.810 2.440 -2.168 1.00 0.00 O ATOM 1171 CB PHE A 76 4.900 4.954 -3.658 1.00 0.00 C ATOM 1172 CG PHE A 76 5.452 6.239 -4.209 1.00 0.00 C ATOM 1173 CD1 PHE A 76 4.846 7.448 -3.922 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.573 6.233 -5.021 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.349 8.629 -4.433 1.00 0.00 C ATOM 1176 CE2 PHE A 76 7.078 7.410 -5.537 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.466 8.610 -5.242 1.00 0.00 C ATOM 0 H PHE A 76 6.917 3.984 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 76 4.489 5.644 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.419 4.119 -4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.850 4.875 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.970 7.470 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.058 5.297 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.868 9.567 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.952 7.391 -6.171 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.860 9.532 -5.643 1.00 0.00 H new ATOM 1187 N ILE A 77 3.415 3.535 -0.829 1.00 0.00 N ATOM 1188 CA ILE A 77 2.848 2.300 -0.306 1.00 0.00 C ATOM 1189 C ILE A 77 1.386 2.151 -0.700 1.00 0.00 C ATOM 1190 O ILE A 77 0.601 3.091 -0.596 1.00 0.00 O ATOM 1191 CB ILE A 77 2.994 2.202 1.229 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.470 2.300 1.622 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.393 0.898 1.744 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.716 2.191 3.114 1.00 0.00 C ATOM 0 H ILE A 77 2.997 4.391 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 77 3.415 1.483 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 77 2.452 3.031 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.025 1.511 1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.868 3.250 1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.506 0.848 2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.334 0.859 1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.909 0.054 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.785 2.269 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.191 2.995 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.349 1.230 3.474 1.00 0.00 H new ATOM 1206 N VAL A 78 1.042 0.965 -1.173 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.317 0.661 -1.583 1.00 0.00 C ATOM 1208 C VAL A 78 -1.005 -0.210 -0.541 1.00 0.00 C ATOM 1209 O VAL A 78 -0.636 -1.367 -0.348 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.340 -0.061 -2.948 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.765 -0.389 -3.367 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.352 0.778 -4.009 1.00 0.00 C ATOM 0 H VAL A 78 1.695 0.189 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.851 1.606 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 78 0.204 -0.999 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.753 -0.897 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.223 -1.038 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.341 0.533 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.325 0.252 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.160 1.735 -4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.388 0.950 -3.718 1.00 0.00 H new ATOM 1222 N TYR A 79 -1.991 0.352 0.140 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.730 -0.380 1.153 1.00 0.00 C ATOM 1224 C TYR A 79 -3.960 -1.048 0.551 1.00 0.00 C ATOM 1225 O TYR A 79 -4.789 -0.392 -0.082 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.135 0.554 2.294 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.004 0.867 3.246 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.122 1.912 2.997 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.811 0.107 4.392 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.081 2.186 3.861 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.776 0.379 5.263 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.088 1.418 4.992 1.00 0.00 C ATOM 1233 OH TYR A 79 1.128 1.685 5.851 1.00 0.00 O ATOM 0 H TYR A 79 -2.298 1.316 0.008 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.081 -1.159 1.552 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.514 1.486 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.954 0.100 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.253 2.519 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.483 -0.711 4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.598 2.999 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.644 -0.219 6.152 1.00 0.00 H new ATOM 0 HH TYR A 79 1.105 1.053 6.599 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.061 -2.353 0.747 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.160 -3.133 0.214 1.00 0.00 C ATOM 1245 C PHE A 80 -6.234 -3.348 1.269 1.00 0.00 C ATOM 1246 O PHE A 80 -5.997 -3.988 2.293 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.652 -4.481 -0.295 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.804 -4.381 -1.532 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.445 -4.142 -1.440 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.373 -4.528 -2.787 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.665 -4.050 -2.576 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.598 -4.437 -3.927 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.242 -4.198 -3.822 1.00 0.00 C ATOM 0 H PHE A 80 -3.383 -2.898 1.280 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.598 -2.580 -0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.073 -4.962 0.493 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.506 -5.126 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.988 -4.026 -0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.433 -4.716 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.605 -3.863 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.052 -4.553 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.634 -4.127 -4.712 1.00 0.00 H new ATOM 1263 N THR A 81 -7.407 -2.809 1.008 1.00 0.00 N ATOM 1264 CA THR A 81 -8.528 -2.924 1.921 1.00 0.00 C ATOM 1265 C THR A 81 -9.560 -3.909 1.378 1.00 0.00 C ATOM 1266 O THR A 81 -9.765 -3.977 0.169 1.00 0.00 O ATOM 1267 CB THR A 81 -9.202 -1.557 2.133 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.639 -1.027 0.869 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.248 -0.572 2.789 1.00 0.00 C ATOM 0 H THR A 81 -7.611 -2.280 0.160 1.00 0.00 H new ATOM 0 HA THR A 81 -8.144 -3.287 2.875 1.00 0.00 H new ATOM 0 HB THR A 81 -10.059 -1.701 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.138 -0.210 0.666 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.751 0.385 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.934 -0.960 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.373 -0.434 2.153 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.218 -4.680 2.258 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.261 -5.640 1.860 1.00 0.00 C ATOM 1279 C PRO A 82 -12.546 -4.957 1.382 1.00 0.00 C ATOM 1280 O PRO A 82 -13.604 -5.093 1.999 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.512 -6.439 3.142 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.113 -5.524 4.246 1.00 0.00 C ATOM 1283 CD PRO A 82 -9.979 -4.697 3.712 1.00 0.00 C ATOM 0 HA PRO A 82 -10.948 -6.252 1.014 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.559 -6.729 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.924 -7.357 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.948 -4.892 4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -10.804 -6.087 5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -9.984 -3.691 4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.012 -5.138 3.954 1.00 0.00 H new