USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 864 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 Single : A 7 SER OG : rot 180:sc= -0.0984 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.486 USER MOD Single : A 19 ASN : amide:sc= -0.933 K(o=-0.93,f=-2.8!) USER MOD Single : A 21 THR OG1 : rot -85:sc= 0.177 USER MOD Single : A 22 GLN : amide:sc= -2.61 K(o=-2.6,f=-3.5) USER MOD Single : A 23 ASN : amide:sc= -0.606 K(o=-0.61,f=-6!) USER MOD Single : A 24 GLN : amide:sc= -1.03 K(o=-1,f=-5.7!) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= -0.0474 (180deg=-0.446) USER MOD Single : A 30 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.9!) USER MOD Single : A 32 SER OG : rot 175:sc= -0.244 USER MOD Single : A 33 MET CE :methyl -113:sc= -0.621 (180deg=-1.74) USER MOD Single : A 36 SER OG : rot -98:sc= -0.368 USER MOD Single : A 38 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0362! USER MOD Single : A 43 MET CE :methyl -150:sc= -0.26 (180deg=-2.15!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -82:sc= 0.869 USER MOD Single : A 53 ASN : amide:sc= 0.0911 X(o=0.091,f=-0.057) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc=-0.000819 (180deg=-0.227) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.7!) USER MOD Single : A 66 MET CE :methyl -173:sc= -0.798 (180deg=-0.891) USER MOD Single : A 68 SER OG : rot 69:sc= 1.04 USER MOD Single : A 73 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-8.1!) USER MOD Single : A 74 LYS NZ :NH3+ -160:sc= -0.0893 (180deg=-0.629) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.42) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -43:sc= 0.629 USER MOD Single : A 84 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-6.8!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -106:sc= -1.97! (180deg=-4.03!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.19 X(o=-4.2,f=-4.6!) USER MOD Single : A 104 LYS NZ :NH3+ -156:sc= -1.21 (180deg=-1.94) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.042 (180deg=-0.44) USER MOD Single : A 113 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 -17.777 5.420 -3.521 1.00 0.00 N ATOM 58 CA PRO A 5 -17.336 6.229 -2.341 1.00 0.00 C ATOM 59 C PRO A 5 -16.057 5.663 -1.677 1.00 0.00 C ATOM 60 O PRO A 5 -15.658 4.549 -1.951 1.00 0.00 O ATOM 61 CB PRO A 5 -18.550 6.131 -1.394 1.00 0.00 C ATOM 62 CG PRO A 5 -19.495 5.043 -1.935 1.00 0.00 C ATOM 63 CD PRO A 5 -19.105 4.750 -3.394 1.00 0.00 C ATOM 0 HA PRO A 5 -17.067 7.251 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.225 5.884 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -19.066 7.089 -1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.418 4.138 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.531 5.377 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -19.038 3.679 -3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -19.832 5.157 -4.097 1.00 0.00 H new ATOM 71 N PRO A 6 -15.421 6.426 -0.808 1.00 0.00 N ATOM 72 CA PRO A 6 -14.180 5.953 -0.122 1.00 0.00 C ATOM 73 C PRO A 6 -14.390 4.655 0.676 1.00 0.00 C ATOM 74 O PRO A 6 -13.582 3.750 0.630 1.00 0.00 O ATOM 75 CB PRO A 6 -13.836 7.129 0.819 1.00 0.00 C ATOM 76 CG PRO A 6 -14.904 8.231 0.647 1.00 0.00 C ATOM 77 CD PRO A 6 -15.887 7.799 -0.456 1.00 0.00 C ATOM 0 HA PRO A 6 -13.391 5.705 -0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.808 6.789 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.847 7.522 0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.436 8.391 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.431 9.177 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.917 7.796 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.849 8.470 -1.314 1.00 0.00 H new ATOM 85 N SER A 7 -15.456 4.570 1.422 1.00 0.00 N ATOM 86 CA SER A 7 -15.698 3.344 2.236 1.00 0.00 C ATOM 87 C SER A 7 -15.835 2.130 1.316 1.00 0.00 C ATOM 88 O SER A 7 -15.362 1.053 1.620 1.00 0.00 O ATOM 89 CB SER A 7 -16.979 3.514 3.055 1.00 0.00 C ATOM 90 OG SER A 7 -18.105 3.430 2.192 1.00 0.00 O ATOM 0 H SER A 7 -16.169 5.294 1.504 1.00 0.00 H new ATOM 0 HA SER A 7 -14.856 3.190 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 7 -17.038 2.743 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.971 4.476 3.568 1.00 0.00 H new ATOM 0 HG SER A 7 -18.927 3.537 2.715 1.00 0.00 H new ATOM 96 N THR A 8 -16.480 2.291 0.194 1.00 0.00 N ATOM 97 CA THR A 8 -16.644 1.138 -0.739 1.00 0.00 C ATOM 98 C THR A 8 -15.287 0.773 -1.342 1.00 0.00 C ATOM 99 O THR A 8 -14.950 -0.386 -1.484 1.00 0.00 O ATOM 100 CB THR A 8 -17.610 1.525 -1.861 1.00 0.00 C ATOM 101 OG1 THR A 8 -18.870 1.866 -1.300 1.00 0.00 O ATOM 102 CG2 THR A 8 -17.780 0.349 -2.825 1.00 0.00 C ATOM 0 H THR A 8 -16.900 3.167 -0.118 1.00 0.00 H new ATOM 0 HA THR A 8 -17.042 0.283 -0.193 1.00 0.00 H new ATOM 0 HB THR A 8 -17.209 2.380 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.532 1.961 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.469 0.629 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.813 0.089 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.180 -0.509 -2.285 1.00 0.00 H new ATOM 110 N ALA A 9 -14.506 1.755 -1.697 1.00 0.00 N ATOM 111 CA ALA A 9 -13.171 1.475 -2.288 1.00 0.00 C ATOM 112 C ALA A 9 -12.290 0.768 -1.257 1.00 0.00 C ATOM 113 O ALA A 9 -11.551 -0.141 -1.577 1.00 0.00 O ATOM 114 CB ALA A 9 -12.513 2.794 -2.697 1.00 0.00 C ATOM 0 H ALA A 9 -14.738 2.744 -1.602 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.289 0.835 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.534 2.593 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.139 3.300 -3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.397 3.430 -1.820 1.00 0.00 H new ATOM 120 N LEU A 10 -12.358 1.183 -0.020 1.00 0.00 N ATOM 121 CA LEU A 10 -11.514 0.537 1.024 1.00 0.00 C ATOM 122 C LEU A 10 -11.862 -0.952 1.113 1.00 0.00 C ATOM 123 O LEU A 10 -10.989 -1.798 1.122 1.00 0.00 O ATOM 124 CB LEU A 10 -11.759 1.215 2.378 1.00 0.00 C ATOM 125 CG LEU A 10 -10.894 0.559 3.467 1.00 0.00 C ATOM 126 CD1 LEU A 10 -9.403 0.779 3.168 1.00 0.00 C ATOM 127 CD2 LEU A 10 -11.240 1.186 4.817 1.00 0.00 C ATOM 0 H LEU A 10 -12.959 1.938 0.311 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.462 0.643 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.524 2.277 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.813 1.138 2.646 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.092 -0.513 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.803 0.309 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.156 0.336 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.191 1.848 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.632 0.728 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.040 2.257 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.295 1.021 5.035 1.00 0.00 H new ATOM 139 N ARG A 11 -13.124 -1.287 1.179 1.00 0.00 N ATOM 140 CA ARG A 11 -13.498 -2.728 1.268 1.00 0.00 C ATOM 141 C ARG A 11 -12.972 -3.451 0.034 1.00 0.00 C ATOM 142 O ARG A 11 -12.426 -4.533 0.117 1.00 0.00 O ATOM 143 CB ARG A 11 -15.020 -2.867 1.303 1.00 0.00 C ATOM 144 CG ARG A 11 -15.566 -2.351 2.635 1.00 0.00 C ATOM 145 CD ARG A 11 -17.096 -2.390 2.598 1.00 0.00 C ATOM 146 NE ARG A 11 -17.634 -2.255 3.980 1.00 0.00 N ATOM 147 CZ ARG A 11 -18.893 -1.966 4.161 1.00 0.00 C ATOM 148 NH1 ARG A 11 -19.666 -1.752 3.131 1.00 0.00 N ATOM 149 NH2 ARG A 11 -19.377 -1.888 5.369 1.00 0.00 N ATOM 0 H ARG A 11 -13.905 -0.631 1.175 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.070 -3.157 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.463 -2.308 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.301 -3.911 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.194 -2.963 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.220 -1.333 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.475 -1.584 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.435 -3.326 2.155 1.00 0.00 H new ATOM 0 HE ARG A 11 -17.019 -2.388 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.285 -1.811 2.187 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.651 -1.526 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -18.771 -2.053 6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.362 -1.662 5.510 1.00 0.00 H new ATOM 163 N GLU A 12 -13.124 -2.852 -1.109 1.00 0.00 N ATOM 164 CA GLU A 12 -12.627 -3.489 -2.351 1.00 0.00 C ATOM 165 C GLU A 12 -11.106 -3.635 -2.252 1.00 0.00 C ATOM 166 O GLU A 12 -10.536 -4.626 -2.665 1.00 0.00 O ATOM 167 CB GLU A 12 -12.986 -2.604 -3.548 1.00 0.00 C ATOM 168 CG GLU A 12 -14.501 -2.633 -3.772 1.00 0.00 C ATOM 169 CD GLU A 12 -14.929 -4.022 -4.247 1.00 0.00 C ATOM 170 OE1 GLU A 12 -14.079 -4.749 -4.734 1.00 0.00 O ATOM 171 OE2 GLU A 12 -16.101 -4.336 -4.113 1.00 0.00 O ATOM 0 H GLU A 12 -13.573 -1.945 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.083 -4.471 -2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.654 -1.581 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.469 -2.956 -4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.019 -2.379 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.783 -1.883 -4.511 1.00 0.00 H new ATOM 178 N LEU A 13 -10.448 -2.642 -1.717 1.00 0.00 N ATOM 179 CA LEU A 13 -8.963 -2.699 -1.597 1.00 0.00 C ATOM 180 C LEU A 13 -8.549 -3.723 -0.529 1.00 0.00 C ATOM 181 O LEU A 13 -7.676 -4.538 -0.751 1.00 0.00 O ATOM 182 CB LEU A 13 -8.446 -1.308 -1.199 1.00 0.00 C ATOM 183 CG LEU A 13 -6.913 -1.310 -1.091 1.00 0.00 C ATOM 184 CD1 LEU A 13 -6.289 -1.623 -2.461 1.00 0.00 C ATOM 185 CD2 LEU A 13 -6.445 0.070 -0.613 1.00 0.00 C ATOM 0 H LEU A 13 -10.877 -1.790 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.536 -3.002 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.763 -0.572 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.883 -1.011 -0.245 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.599 -2.074 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.202 -1.622 -2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.625 -2.603 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.596 -0.866 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.358 0.078 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.762 0.829 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.882 0.285 0.362 1.00 0.00 H new ATOM 197 N ILE A 14 -9.153 -3.683 0.631 1.00 0.00 N ATOM 198 CA ILE A 14 -8.765 -4.649 1.703 1.00 0.00 C ATOM 199 C ILE A 14 -8.995 -6.091 1.226 1.00 0.00 C ATOM 200 O ILE A 14 -8.134 -6.938 1.356 1.00 0.00 O ATOM 201 CB ILE A 14 -9.586 -4.382 2.975 1.00 0.00 C ATOM 202 CG1 ILE A 14 -9.158 -3.040 3.586 1.00 0.00 C ATOM 203 CG2 ILE A 14 -9.337 -5.503 3.993 1.00 0.00 C ATOM 204 CD1 ILE A 14 -10.104 -2.663 4.729 1.00 0.00 C ATOM 0 H ILE A 14 -9.893 -3.028 0.882 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.707 -4.516 1.928 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.645 -4.349 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.135 -3.109 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.169 -2.263 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.920 -5.312 4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.637 -6.459 3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.277 -5.536 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.795 -1.710 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.121 -2.576 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.071 -3.435 5.498 1.00 0.00 H new ATOM 216 N GLU A 15 -10.152 -6.382 0.697 1.00 0.00 N ATOM 217 CA GLU A 15 -10.433 -7.776 0.238 1.00 0.00 C ATOM 218 C GLU A 15 -9.439 -8.213 -0.846 1.00 0.00 C ATOM 219 O GLU A 15 -9.000 -9.345 -0.867 1.00 0.00 O ATOM 220 CB GLU A 15 -11.854 -7.851 -0.326 1.00 0.00 C ATOM 221 CG GLU A 15 -12.869 -7.713 0.811 1.00 0.00 C ATOM 222 CD GLU A 15 -14.277 -7.585 0.225 1.00 0.00 C ATOM 223 OE1 GLU A 15 -14.392 -7.548 -0.989 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.217 -7.522 1.001 1.00 0.00 O ATOM 0 H GLU A 15 -10.914 -5.718 0.562 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.330 -8.444 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.006 -7.060 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.000 -8.799 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.815 -8.581 1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.635 -6.838 1.418 1.00 0.00 H new ATOM 231 N GLU A 16 -9.094 -7.344 -1.757 1.00 0.00 N ATOM 232 CA GLU A 16 -8.147 -7.753 -2.836 1.00 0.00 C ATOM 233 C GLU A 16 -6.734 -7.930 -2.273 1.00 0.00 C ATOM 234 O GLU A 16 -6.047 -8.878 -2.599 1.00 0.00 O ATOM 235 CB GLU A 16 -8.128 -6.694 -3.941 1.00 0.00 C ATOM 236 CG GLU A 16 -7.334 -7.227 -5.138 1.00 0.00 C ATOM 237 CD GLU A 16 -7.502 -6.283 -6.330 1.00 0.00 C ATOM 238 OE1 GLU A 16 -8.222 -5.309 -6.193 1.00 0.00 O ATOM 239 OE2 GLU A 16 -6.906 -6.551 -7.360 1.00 0.00 O ATOM 0 H GLU A 16 -9.422 -6.379 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.483 -8.704 -3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.146 -6.450 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.676 -5.774 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.279 -7.315 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.681 -8.226 -5.401 1.00 0.00 H new ATOM 246 N LEU A 17 -6.287 -7.035 -1.434 1.00 0.00 N ATOM 247 CA LEU A 17 -4.915 -7.181 -0.869 1.00 0.00 C ATOM 248 C LEU A 17 -4.831 -8.499 -0.104 1.00 0.00 C ATOM 249 O LEU A 17 -3.865 -9.229 -0.202 1.00 0.00 O ATOM 250 CB LEU A 17 -4.621 -6.022 0.089 1.00 0.00 C ATOM 251 CG LEU A 17 -4.485 -4.707 -0.692 1.00 0.00 C ATOM 252 CD1 LEU A 17 -4.400 -3.545 0.304 1.00 0.00 C ATOM 253 CD2 LEU A 17 -3.219 -4.729 -1.575 1.00 0.00 C ATOM 0 H LEU A 17 -6.807 -6.216 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.186 -7.171 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.422 -5.936 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.703 -6.222 0.641 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.353 -4.583 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.303 -2.606 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.304 -3.520 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.532 -3.682 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.140 -3.789 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.339 -4.859 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.284 -5.555 -2.283 1.00 0.00 H new ATOM 265 N VAL A 18 -5.842 -8.808 0.656 1.00 0.00 N ATOM 266 CA VAL A 18 -5.835 -10.076 1.431 1.00 0.00 C ATOM 267 C VAL A 18 -5.928 -11.270 0.470 1.00 0.00 C ATOM 268 O VAL A 18 -5.277 -12.278 0.651 1.00 0.00 O ATOM 269 CB VAL A 18 -7.037 -10.074 2.387 1.00 0.00 C ATOM 270 CG1 VAL A 18 -7.209 -11.460 3.021 1.00 0.00 C ATOM 271 CG2 VAL A 18 -6.807 -9.030 3.485 1.00 0.00 C ATOM 0 H VAL A 18 -6.677 -8.234 0.774 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.911 -10.160 2.003 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.940 -9.828 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.064 -11.447 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.376 -12.200 2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.309 -11.719 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.658 -9.025 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.901 -9.277 4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.698 -8.044 3.033 1.00 0.00 H new ATOM 281 N ASN A 19 -6.745 -11.167 -0.544 1.00 0.00 N ATOM 282 CA ASN A 19 -6.898 -12.299 -1.509 1.00 0.00 C ATOM 283 C ASN A 19 -5.567 -12.646 -2.196 1.00 0.00 C ATOM 284 O ASN A 19 -5.271 -13.800 -2.431 1.00 0.00 O ATOM 285 CB ASN A 19 -7.922 -11.914 -2.582 1.00 0.00 C ATOM 286 CG ASN A 19 -9.329 -11.917 -1.982 1.00 0.00 C ATOM 287 OD1 ASN A 19 -9.567 -12.535 -0.964 1.00 0.00 O ATOM 288 ND2 ASN A 19 -10.279 -11.249 -2.577 1.00 0.00 N ATOM 0 H ASN A 19 -7.315 -10.346 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.233 -13.172 -0.949 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.690 -10.927 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.871 -12.615 -3.415 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.222 -11.246 -2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.079 -10.730 -3.432 1.00 0.00 H new ATOM 295 N ILE A 20 -4.780 -11.667 -2.558 1.00 0.00 N ATOM 296 CA ILE A 20 -3.500 -11.972 -3.272 1.00 0.00 C ATOM 297 C ILE A 20 -2.401 -12.449 -2.312 1.00 0.00 C ATOM 298 O ILE A 20 -1.414 -13.005 -2.747 1.00 0.00 O ATOM 299 CB ILE A 20 -3.019 -10.730 -4.033 1.00 0.00 C ATOM 300 CG1 ILE A 20 -2.779 -9.571 -3.061 1.00 0.00 C ATOM 301 CG2 ILE A 20 -4.075 -10.317 -5.060 1.00 0.00 C ATOM 302 CD1 ILE A 20 -2.174 -8.392 -3.825 1.00 0.00 C ATOM 0 H ILE A 20 -4.964 -10.677 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.701 -12.783 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.084 -10.969 -4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.717 -9.273 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.108 -9.884 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.732 -9.434 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.236 -11.133 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.010 -10.089 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.001 -7.564 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.228 -8.696 -4.273 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.862 -8.075 -4.609 1.00 0.00 H new ATOM 314 N THR A 21 -2.534 -12.227 -1.025 1.00 0.00 N ATOM 315 CA THR A 21 -1.450 -12.667 -0.075 1.00 0.00 C ATOM 316 C THR A 21 -1.824 -13.981 0.625 1.00 0.00 C ATOM 317 O THR A 21 -0.969 -14.687 1.117 1.00 0.00 O ATOM 318 CB THR A 21 -1.234 -11.585 0.992 1.00 0.00 C ATOM 319 OG1 THR A 21 -2.462 -11.333 1.659 1.00 0.00 O ATOM 320 CG2 THR A 21 -0.727 -10.290 0.343 1.00 0.00 C ATOM 0 H THR A 21 -3.334 -11.766 -0.591 1.00 0.00 H new ATOM 0 HA THR A 21 -0.539 -12.823 -0.652 1.00 0.00 H new ATOM 0 HB THR A 21 -0.489 -11.934 1.707 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.982 -10.677 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.578 -9.532 1.112 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.218 -10.483 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.461 -9.934 -0.380 1.00 0.00 H new ATOM 328 N GLN A 22 -3.080 -14.316 0.691 1.00 0.00 N ATOM 329 CA GLN A 22 -3.470 -15.586 1.378 1.00 0.00 C ATOM 330 C GLN A 22 -3.178 -16.807 0.497 1.00 0.00 C ATOM 331 O GLN A 22 -2.753 -17.838 0.978 1.00 0.00 O ATOM 332 CB GLN A 22 -4.956 -15.546 1.731 1.00 0.00 C ATOM 333 CG GLN A 22 -5.176 -14.532 2.855 1.00 0.00 C ATOM 334 CD GLN A 22 -6.666 -14.444 3.184 1.00 0.00 C ATOM 335 OE1 GLN A 22 -7.503 -14.668 2.332 1.00 0.00 O ATOM 336 NE2 GLN A 22 -7.035 -14.127 4.395 1.00 0.00 N ATOM 0 H GLN A 22 -3.852 -13.773 0.304 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.878 -15.676 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.543 -15.270 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.295 -16.534 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.615 -14.829 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.802 -13.554 2.554 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.332 -13.939 5.110 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -8.027 -14.067 4.627 1.00 0.00 H new ATOM 345 N ASN A 23 -3.424 -16.713 -0.782 1.00 0.00 N ATOM 346 CA ASN A 23 -3.187 -17.884 -1.686 1.00 0.00 C ATOM 347 C ASN A 23 -1.810 -17.788 -2.350 1.00 0.00 C ATOM 348 O ASN A 23 -1.520 -18.505 -3.288 1.00 0.00 O ATOM 349 CB ASN A 23 -4.267 -17.904 -2.771 1.00 0.00 C ATOM 350 CG ASN A 23 -4.111 -16.676 -3.671 1.00 0.00 C ATOM 351 OD1 ASN A 23 -3.355 -15.776 -3.365 1.00 0.00 O ATOM 352 ND2 ASN A 23 -4.802 -16.601 -4.776 1.00 0.00 N ATOM 0 H ASN A 23 -3.780 -15.876 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.226 -18.798 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.185 -18.815 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -5.256 -17.909 -2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.707 -15.786 -5.383 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.437 -17.357 -5.033 1.00 0.00 H new ATOM 359 N GLN A 24 -0.957 -16.912 -1.889 1.00 0.00 N ATOM 360 CA GLN A 24 0.389 -16.793 -2.526 1.00 0.00 C ATOM 361 C GLN A 24 1.331 -17.871 -1.982 1.00 0.00 C ATOM 362 O GLN A 24 1.478 -18.041 -0.787 1.00 0.00 O ATOM 363 CB GLN A 24 0.974 -15.395 -2.250 1.00 0.00 C ATOM 364 CG GLN A 24 1.508 -15.299 -0.813 1.00 0.00 C ATOM 365 CD GLN A 24 1.847 -13.844 -0.492 1.00 0.00 C ATOM 366 OE1 GLN A 24 1.741 -12.981 -1.341 1.00 0.00 O ATOM 367 NE2 GLN A 24 2.250 -13.531 0.709 1.00 0.00 N ATOM 0 H GLN A 24 -1.130 -16.280 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 24 0.284 -16.932 -3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.778 -15.187 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.207 -14.637 -2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.763 -15.673 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.394 -15.923 -0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.339 -14.255 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.476 -12.562 0.935 1.00 0.00 H new ATOM 376 N LYS A 25 1.986 -18.584 -2.855 1.00 0.00 N ATOM 377 CA LYS A 25 2.941 -19.632 -2.404 1.00 0.00 C ATOM 378 C LYS A 25 4.291 -18.957 -2.145 1.00 0.00 C ATOM 379 O LYS A 25 4.652 -18.677 -1.019 1.00 0.00 O ATOM 380 CB LYS A 25 3.074 -20.682 -3.510 1.00 0.00 C ATOM 381 CG LYS A 25 4.017 -21.802 -3.071 1.00 0.00 C ATOM 382 CD LYS A 25 4.125 -22.832 -4.198 1.00 0.00 C ATOM 383 CE LYS A 25 5.065 -23.962 -3.778 1.00 0.00 C ATOM 384 NZ LYS A 25 4.463 -24.708 -2.637 1.00 0.00 N ATOM 0 H LYS A 25 1.900 -18.485 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 25 2.594 -20.120 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.094 -21.095 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.452 -20.215 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.001 -21.396 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.643 -22.275 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.139 -23.234 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.497 -22.355 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.238 -24.636 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.034 -23.555 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.914 -25.642 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.611 -24.175 -1.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.443 -24.829 -2.801 1.00 0.00 H new ATOM 398 N ALA A 26 5.024 -18.662 -3.186 1.00 0.00 N ATOM 399 CA ALA A 26 6.335 -17.968 -3.014 1.00 0.00 C ATOM 400 C ALA A 26 6.062 -16.455 -2.894 1.00 0.00 C ATOM 401 O ALA A 26 4.991 -15.995 -3.237 1.00 0.00 O ATOM 402 CB ALA A 26 7.230 -18.268 -4.238 1.00 0.00 C ATOM 0 H ALA A 26 4.771 -18.872 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 26 6.849 -18.316 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.189 -17.764 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.392 -19.343 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.741 -17.908 -5.143 1.00 0.00 H new ATOM 408 N PRO A 27 7.013 -15.681 -2.426 1.00 0.00 N ATOM 409 CA PRO A 27 6.803 -14.212 -2.302 1.00 0.00 C ATOM 410 C PRO A 27 6.250 -13.609 -3.604 1.00 0.00 C ATOM 411 O PRO A 27 6.432 -14.157 -4.673 1.00 0.00 O ATOM 412 CB PRO A 27 8.223 -13.696 -1.990 1.00 0.00 C ATOM 413 CG PRO A 27 9.136 -14.913 -1.715 1.00 0.00 C ATOM 414 CD PRO A 27 8.339 -16.203 -1.996 1.00 0.00 C ATOM 0 HA PRO A 27 6.070 -13.941 -1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.608 -13.115 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.204 -13.033 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.022 -14.871 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.482 -14.900 -0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.808 -16.807 -2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.259 -16.831 -1.109 1.00 0.00 H new ATOM 422 N LEU A 28 5.576 -12.492 -3.527 1.00 0.00 N ATOM 423 CA LEU A 28 5.023 -11.882 -4.769 1.00 0.00 C ATOM 424 C LEU A 28 6.179 -11.427 -5.664 1.00 0.00 C ATOM 425 O LEU A 28 6.319 -11.871 -6.786 1.00 0.00 O ATOM 426 CB LEU A 28 4.147 -10.676 -4.405 1.00 0.00 C ATOM 427 CG LEU A 28 2.979 -11.121 -3.511 1.00 0.00 C ATOM 428 CD1 LEU A 28 2.216 -9.883 -3.028 1.00 0.00 C ATOM 429 CD2 LEU A 28 2.023 -12.037 -4.297 1.00 0.00 C ATOM 0 H LEU A 28 5.386 -11.980 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 28 4.417 -12.617 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.745 -9.925 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.763 -10.209 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 28 3.373 -11.673 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.386 -10.192 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.888 -9.240 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.831 -9.335 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.201 -12.344 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.627 -11.497 -5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.564 -12.919 -4.640 1.00 0.00 H new ATOM 441 N CYS A 29 7.013 -10.553 -5.172 1.00 0.00 N ATOM 442 CA CYS A 29 8.172 -10.076 -5.985 1.00 0.00 C ATOM 443 C CYS A 29 9.355 -11.031 -5.795 1.00 0.00 C ATOM 444 O CYS A 29 9.305 -11.941 -4.992 1.00 0.00 O ATOM 445 CB CYS A 29 8.576 -8.674 -5.526 1.00 0.00 C ATOM 446 SG CYS A 29 7.327 -7.477 -6.057 1.00 0.00 S ATOM 0 H CYS A 29 6.943 -10.146 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 29 7.889 -10.048 -7.037 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.678 -8.651 -4.441 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.548 -8.410 -5.943 1.00 0.00 H new ATOM 451 N ASN A 30 10.425 -10.823 -6.516 1.00 0.00 N ATOM 452 CA ASN A 30 11.614 -11.711 -6.360 1.00 0.00 C ATOM 453 C ASN A 30 12.234 -11.488 -4.978 1.00 0.00 C ATOM 454 O ASN A 30 13.417 -11.243 -4.853 1.00 0.00 O ATOM 455 CB ASN A 30 12.651 -11.378 -7.437 1.00 0.00 C ATOM 456 CG ASN A 30 12.144 -11.837 -8.805 1.00 0.00 C ATOM 457 OD1 ASN A 30 11.291 -12.698 -8.893 1.00 0.00 O ATOM 458 ND2 ASN A 30 12.639 -11.296 -9.885 1.00 0.00 N ATOM 0 H ASN A 30 10.527 -10.078 -7.205 1.00 0.00 H new ATOM 0 HA ASN A 30 11.304 -12.751 -6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.842 -10.305 -7.451 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.597 -11.867 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.310 -11.596 -10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.355 -10.573 -9.811 1.00 0.00 H new ATOM 465 N GLY A 31 11.447 -11.563 -3.939 1.00 0.00 N ATOM 466 CA GLY A 31 12.000 -11.344 -2.573 1.00 0.00 C ATOM 467 C GLY A 31 12.367 -9.868 -2.414 1.00 0.00 C ATOM 468 O GLY A 31 13.223 -9.509 -1.630 1.00 0.00 O ATOM 0 H GLY A 31 10.448 -11.766 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.267 -11.633 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.879 -11.969 -2.418 1.00 0.00 H new ATOM 472 N SER A 32 11.729 -9.012 -3.164 1.00 0.00 N ATOM 473 CA SER A 32 12.041 -7.558 -3.075 1.00 0.00 C ATOM 474 C SER A 32 11.667 -7.017 -1.693 1.00 0.00 C ATOM 475 O SER A 32 10.744 -7.486 -1.050 1.00 0.00 O ATOM 476 CB SER A 32 11.249 -6.802 -4.142 1.00 0.00 C ATOM 477 OG SER A 32 11.610 -7.287 -5.428 1.00 0.00 O ATOM 0 H SER A 32 11.003 -9.258 -3.837 1.00 0.00 H new ATOM 0 HA SER A 32 13.110 -7.417 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.179 -6.934 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.453 -5.733 -4.073 1.00 0.00 H new ATOM 0 HG SER A 32 11.046 -6.863 -6.108 1.00 0.00 H new ATOM 483 N MET A 33 12.384 -6.019 -1.244 1.00 0.00 N ATOM 484 CA MET A 33 12.105 -5.397 0.087 1.00 0.00 C ATOM 485 C MET A 33 11.695 -3.941 -0.139 1.00 0.00 C ATOM 486 O MET A 33 11.985 -3.366 -1.169 1.00 0.00 O ATOM 487 CB MET A 33 13.376 -5.441 0.940 1.00 0.00 C ATOM 488 CG MET A 33 13.802 -6.896 1.146 1.00 0.00 C ATOM 489 SD MET A 33 15.306 -6.957 2.155 1.00 0.00 S ATOM 490 CE MET A 33 14.582 -6.398 3.718 1.00 0.00 C ATOM 0 H MET A 33 13.164 -5.602 -1.752 1.00 0.00 H new ATOM 0 HA MET A 33 11.308 -5.937 0.599 1.00 0.00 H new ATOM 0 HB2 MET A 33 14.174 -4.883 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 33 13.197 -4.963 1.903 1.00 0.00 H new ATOM 0 HG2 MET A 33 13.002 -7.453 1.634 1.00 0.00 H new ATOM 0 HG3 MET A 33 13.980 -7.373 0.182 1.00 0.00 H new ATOM 0 HE1 MET A 33 14.987 -5.420 3.977 1.00 0.00 H new ATOM 0 HE2 MET A 33 13.500 -6.326 3.612 1.00 0.00 H new ATOM 0 HE3 MET A 33 14.823 -7.111 4.506 1.00 0.00 H new ATOM 500 N VAL A 34 11.024 -3.339 0.811 1.00 0.00 N ATOM 501 CA VAL A 34 10.592 -1.912 0.653 1.00 0.00 C ATOM 502 C VAL A 34 11.000 -1.122 1.893 1.00 0.00 C ATOM 503 O VAL A 34 11.254 -1.677 2.943 1.00 0.00 O ATOM 504 CB VAL A 34 9.072 -1.847 0.487 1.00 0.00 C ATOM 505 CG1 VAL A 34 8.683 -2.397 -0.884 1.00 0.00 C ATOM 506 CG2 VAL A 34 8.401 -2.686 1.572 1.00 0.00 C ATOM 0 H VAL A 34 10.755 -3.774 1.693 1.00 0.00 H new ATOM 0 HA VAL A 34 11.069 -1.485 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 34 8.746 -0.810 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.600 -2.350 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.158 -1.801 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.012 -3.433 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.319 -2.638 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.730 -3.722 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.674 -2.298 2.553 1.00 0.00 H new ATOM 516 N TRP A 35 11.072 0.173 1.776 1.00 0.00 N ATOM 517 CA TRP A 35 11.472 1.004 2.942 1.00 0.00 C ATOM 518 C TRP A 35 10.324 1.050 3.949 1.00 0.00 C ATOM 519 O TRP A 35 9.193 1.329 3.603 1.00 0.00 O ATOM 520 CB TRP A 35 11.780 2.422 2.466 1.00 0.00 C ATOM 521 CG TRP A 35 13.058 2.429 1.689 1.00 0.00 C ATOM 522 CD1 TRP A 35 13.157 2.270 0.348 1.00 0.00 C ATOM 523 CD2 TRP A 35 14.417 2.602 2.180 1.00 0.00 C ATOM 524 NE1 TRP A 35 14.489 2.345 -0.013 1.00 0.00 N ATOM 525 CE2 TRP A 35 15.304 2.547 1.082 1.00 0.00 C ATOM 526 CE3 TRP A 35 14.958 2.802 3.460 1.00 0.00 C ATOM 527 CZ2 TRP A 35 16.683 2.686 1.247 1.00 0.00 C ATOM 528 CZ3 TRP A 35 16.346 2.940 3.632 1.00 0.00 C ATOM 529 CH2 TRP A 35 17.206 2.882 2.527 1.00 0.00 C ATOM 0 H TRP A 35 10.871 0.692 0.921 1.00 0.00 H new ATOM 0 HA TRP A 35 12.355 0.573 3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 35 10.964 2.792 1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 35 11.860 3.093 3.321 1.00 0.00 H new ATOM 0 HD1 TRP A 35 12.330 2.111 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 35 14.828 2.261 -0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 35 14.304 2.850 4.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 17.341 2.642 0.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 16.752 3.092 4.621 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.272 2.989 2.665 1.00 0.00 H new ATOM 540 N SER A 36 10.605 0.787 5.194 1.00 0.00 N ATOM 541 CA SER A 36 9.527 0.825 6.218 1.00 0.00 C ATOM 542 C SER A 36 9.089 2.276 6.421 1.00 0.00 C ATOM 543 O SER A 36 9.886 3.189 6.333 1.00 0.00 O ATOM 544 CB SER A 36 10.059 0.258 7.535 1.00 0.00 C ATOM 545 OG SER A 36 11.083 1.109 8.033 1.00 0.00 O ATOM 0 H SER A 36 11.532 0.548 5.546 1.00 0.00 H new ATOM 0 HA SER A 36 8.677 0.228 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.251 0.178 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.449 -0.748 7.380 1.00 0.00 H new ATOM 0 HG SER A 36 11.959 0.742 7.792 1.00 0.00 H new ATOM 551 N ILE A 37 7.826 2.496 6.692 1.00 0.00 N ATOM 552 CA ILE A 37 7.320 3.891 6.904 1.00 0.00 C ATOM 553 C ILE A 37 6.470 3.940 8.170 1.00 0.00 C ATOM 554 O ILE A 37 6.018 2.928 8.668 1.00 0.00 O ATOM 555 CB ILE A 37 6.458 4.322 5.708 1.00 0.00 C ATOM 556 CG1 ILE A 37 5.364 3.272 5.435 1.00 0.00 C ATOM 557 CG2 ILE A 37 7.340 4.475 4.467 1.00 0.00 C ATOM 558 CD1 ILE A 37 4.248 3.898 4.591 1.00 0.00 C ATOM 0 H ILE A 37 7.119 1.766 6.776 1.00 0.00 H new ATOM 0 HA ILE A 37 8.171 4.565 7.002 1.00 0.00 H new ATOM 0 HB ILE A 37 5.985 5.276 5.940 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.791 2.415 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.958 2.902 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.726 4.781 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.103 5.231 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.820 3.523 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.476 3.153 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.814 4.741 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.660 4.246 3.644 1.00 0.00 H new ATOM 570 N ASN A 38 6.227 5.114 8.681 1.00 0.00 N ATOM 571 CA ASN A 38 5.380 5.235 9.897 1.00 0.00 C ATOM 572 C ASN A 38 3.928 5.300 9.437 1.00 0.00 C ATOM 573 O ASN A 38 3.552 6.162 8.667 1.00 0.00 O ATOM 574 CB ASN A 38 5.741 6.517 10.651 1.00 0.00 C ATOM 575 CG ASN A 38 4.919 6.603 11.939 1.00 0.00 C ATOM 576 OD1 ASN A 38 4.293 7.609 12.207 1.00 0.00 O ATOM 577 ND2 ASN A 38 4.895 5.584 12.753 1.00 0.00 N ATOM 0 H ASN A 38 6.579 5.995 8.308 1.00 0.00 H new ATOM 0 HA ASN A 38 5.536 4.386 10.563 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.805 6.526 10.886 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.546 7.387 10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.351 5.632 13.614 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.421 4.739 12.528 1.00 0.00 H new ATOM 584 N LEU A 39 3.108 4.390 9.875 1.00 0.00 N ATOM 585 CA LEU A 39 1.692 4.406 9.427 1.00 0.00 C ATOM 586 C LEU A 39 0.945 5.505 10.185 1.00 0.00 C ATOM 587 O LEU A 39 0.830 5.475 11.394 1.00 0.00 O ATOM 588 CB LEU A 39 1.043 3.046 9.713 1.00 0.00 C ATOM 589 CG LEU A 39 1.639 1.942 8.809 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.396 2.260 7.321 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.149 1.801 9.071 1.00 0.00 C ATOM 0 H LEU A 39 3.355 3.640 10.520 1.00 0.00 H new ATOM 0 HA LEU A 39 1.646 4.601 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.191 2.782 10.760 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.033 3.112 9.550 1.00 0.00 H new ATOM 0 HG LEU A 39 1.142 1.002 9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.824 1.469 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.324 2.326 7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.867 3.210 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.558 1.021 8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.646 2.747 8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.314 1.535 10.115 1.00 0.00 H new ATOM 603 N THR A 40 0.451 6.487 9.475 1.00 0.00 N ATOM 604 CA THR A 40 -0.277 7.612 10.130 1.00 0.00 C ATOM 605 C THR A 40 -1.455 8.048 9.249 1.00 0.00 C ATOM 606 O THR A 40 -2.376 7.293 9.011 1.00 0.00 O ATOM 607 CB THR A 40 0.688 8.786 10.315 1.00 0.00 C ATOM 608 OG1 THR A 40 1.037 9.314 9.042 1.00 0.00 O ATOM 609 CG2 THR A 40 1.949 8.301 11.031 1.00 0.00 C ATOM 0 H THR A 40 0.522 6.557 8.460 1.00 0.00 H new ATOM 0 HA THR A 40 -0.658 7.290 11.099 1.00 0.00 H new ATOM 0 HB THR A 40 0.209 9.562 10.912 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.653 10.067 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.637 9.136 11.163 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.680 7.895 12.006 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.430 7.526 10.435 1.00 0.00 H new ATOM 617 N ALA A 41 -1.441 9.270 8.781 1.00 0.00 N ATOM 618 CA ALA A 41 -2.565 9.770 7.929 1.00 0.00 C ATOM 619 C ALA A 41 -2.289 9.494 6.444 1.00 0.00 C ATOM 620 O ALA A 41 -2.839 8.581 5.861 1.00 0.00 O ATOM 621 CB ALA A 41 -2.721 11.277 8.141 1.00 0.00 C ATOM 0 H ALA A 41 -0.697 9.946 8.952 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.479 9.250 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.538 11.649 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.940 11.476 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.796 11.781 7.861 1.00 0.00 H new ATOM 627 N GLY A 42 -1.459 10.297 5.826 1.00 0.00 N ATOM 628 CA GLY A 42 -1.158 10.112 4.371 1.00 0.00 C ATOM 629 C GLY A 42 -0.440 8.780 4.130 1.00 0.00 C ATOM 630 O GLY A 42 0.554 8.718 3.433 1.00 0.00 O ATOM 0 H GLY A 42 -0.974 11.077 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.084 10.140 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.537 10.935 4.016 1.00 0.00 H new ATOM 634 N MET A 43 -0.933 7.718 4.697 1.00 0.00 N ATOM 635 CA MET A 43 -0.286 6.390 4.502 1.00 0.00 C ATOM 636 C MET A 43 -0.318 6.003 3.023 1.00 0.00 C ATOM 637 O MET A 43 0.622 5.441 2.499 1.00 0.00 O ATOM 638 CB MET A 43 -1.047 5.336 5.299 1.00 0.00 C ATOM 639 CG MET A 43 -0.910 5.640 6.786 1.00 0.00 C ATOM 640 SD MET A 43 -1.659 4.308 7.756 1.00 0.00 S ATOM 641 CE MET A 43 -3.337 4.453 7.097 1.00 0.00 C ATOM 0 H MET A 43 -1.762 7.711 5.291 1.00 0.00 H new ATOM 0 HA MET A 43 0.748 6.447 4.842 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.098 5.333 5.011 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.654 4.343 5.080 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.142 5.746 7.049 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.394 6.588 7.019 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.055 4.148 7.859 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.528 5.488 6.812 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.441 3.811 6.223 1.00 0.00 H new ATOM 651 N TYR A 44 -1.405 6.275 2.352 1.00 0.00 N ATOM 652 CA TYR A 44 -1.511 5.893 0.915 1.00 0.00 C ATOM 653 C TYR A 44 -0.397 6.565 0.111 1.00 0.00 C ATOM 654 O TYR A 44 0.276 5.932 -0.679 1.00 0.00 O ATOM 655 CB TYR A 44 -2.866 6.352 0.371 1.00 0.00 C ATOM 656 CG TYR A 44 -3.979 5.634 1.098 1.00 0.00 C ATOM 657 CD1 TYR A 44 -4.521 6.190 2.263 1.00 0.00 C ATOM 658 CD2 TYR A 44 -4.467 4.414 0.612 1.00 0.00 C ATOM 659 CE1 TYR A 44 -5.551 5.528 2.942 1.00 0.00 C ATOM 660 CE2 TYR A 44 -5.497 3.752 1.292 1.00 0.00 C ATOM 661 CZ TYR A 44 -6.039 4.309 2.457 1.00 0.00 C ATOM 662 OH TYR A 44 -7.054 3.657 3.127 1.00 0.00 O ATOM 0 H TYR A 44 -2.224 6.745 2.737 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.418 4.811 0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.973 7.429 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.927 6.148 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.144 7.130 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.049 3.984 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.969 5.958 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.873 2.811 0.918 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.275 2.826 2.657 1.00 0.00 H new ATOM 672 N CYS A 45 -0.194 7.838 0.300 1.00 0.00 N ATOM 673 CA CYS A 45 0.879 8.539 -0.461 1.00 0.00 C ATOM 674 C CYS A 45 2.247 8.024 -0.015 1.00 0.00 C ATOM 675 O CYS A 45 3.076 7.661 -0.825 1.00 0.00 O ATOM 676 CB CYS A 45 0.787 10.042 -0.207 1.00 0.00 C ATOM 677 SG CYS A 45 -0.709 10.689 -0.999 1.00 0.00 S ATOM 0 H CYS A 45 -0.723 8.423 0.947 1.00 0.00 H new ATOM 0 HA CYS A 45 0.753 8.344 -1.526 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.761 10.241 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.669 10.545 -0.603 1.00 0.00 H new ATOM 682 N ALA A 46 2.492 7.988 1.267 1.00 0.00 N ATOM 683 CA ALA A 46 3.811 7.497 1.757 1.00 0.00 C ATOM 684 C ALA A 46 4.015 6.051 1.297 1.00 0.00 C ATOM 685 O ALA A 46 5.060 5.684 0.791 1.00 0.00 O ATOM 686 CB ALA A 46 3.843 7.561 3.286 1.00 0.00 C ATOM 0 H ALA A 46 1.837 8.277 1.994 1.00 0.00 H new ATOM 0 HA ALA A 46 4.608 8.122 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.807 7.202 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.696 8.591 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.049 6.935 3.693 1.00 0.00 H new ATOM 692 N ALA A 47 3.023 5.226 1.460 1.00 0.00 N ATOM 693 CA ALA A 47 3.156 3.811 1.023 1.00 0.00 C ATOM 694 C ALA A 47 3.365 3.765 -0.493 1.00 0.00 C ATOM 695 O ALA A 47 4.127 2.969 -1.003 1.00 0.00 O ATOM 696 CB ALA A 47 1.882 3.041 1.381 1.00 0.00 C ATOM 0 H ALA A 47 2.125 5.470 1.877 1.00 0.00 H new ATOM 0 HA ALA A 47 4.009 3.356 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.981 2.004 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.728 3.074 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.028 3.496 0.879 1.00 0.00 H new ATOM 702 N LEU A 48 2.667 4.598 -1.217 1.00 0.00 N ATOM 703 CA LEU A 48 2.793 4.590 -2.702 1.00 0.00 C ATOM 704 C LEU A 48 4.236 4.887 -3.130 1.00 0.00 C ATOM 705 O LEU A 48 4.798 4.177 -3.938 1.00 0.00 O ATOM 706 CB LEU A 48 1.849 5.647 -3.292 1.00 0.00 C ATOM 707 CG LEU A 48 1.952 5.666 -4.827 1.00 0.00 C ATOM 708 CD1 LEU A 48 1.548 4.296 -5.402 1.00 0.00 C ATOM 709 CD2 LEU A 48 1.017 6.750 -5.375 1.00 0.00 C ATOM 0 H LEU A 48 2.013 5.285 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 48 2.524 3.601 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.823 5.434 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.099 6.630 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 48 2.980 5.879 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.625 4.321 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.212 3.526 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.521 4.070 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.083 6.771 -6.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.008 6.530 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.311 7.720 -4.975 1.00 0.00 H new ATOM 721 N GLU A 49 4.845 5.928 -2.618 1.00 0.00 N ATOM 722 CA GLU A 49 6.245 6.235 -3.046 1.00 0.00 C ATOM 723 C GLU A 49 7.159 5.057 -2.720 1.00 0.00 C ATOM 724 O GLU A 49 8.074 4.753 -3.459 1.00 0.00 O ATOM 725 CB GLU A 49 6.767 7.505 -2.364 1.00 0.00 C ATOM 726 CG GLU A 49 6.478 7.463 -0.867 1.00 0.00 C ATOM 727 CD GLU A 49 7.020 8.739 -0.218 1.00 0.00 C ATOM 728 OE1 GLU A 49 7.730 9.466 -0.893 1.00 0.00 O ATOM 729 OE2 GLU A 49 6.719 8.969 0.941 1.00 0.00 O ATOM 0 H GLU A 49 4.442 6.569 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 49 6.241 6.405 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.840 7.600 -2.531 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.296 8.383 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.405 7.379 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.944 6.586 -0.418 1.00 0.00 H new ATOM 736 N SER A 50 6.927 4.380 -1.632 1.00 0.00 N ATOM 737 CA SER A 50 7.798 3.219 -1.302 1.00 0.00 C ATOM 738 C SER A 50 7.617 2.149 -2.384 1.00 0.00 C ATOM 739 O SER A 50 8.559 1.505 -2.800 1.00 0.00 O ATOM 740 CB SER A 50 7.402 2.645 0.058 1.00 0.00 C ATOM 741 OG SER A 50 6.157 1.969 -0.062 1.00 0.00 O ATOM 0 H SER A 50 6.182 4.576 -0.964 1.00 0.00 H new ATOM 0 HA SER A 50 8.840 3.537 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.170 1.957 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.325 3.445 0.795 1.00 0.00 H new ATOM 0 HG SER A 50 5.425 2.619 -0.010 1.00 0.00 H new ATOM 747 N LEU A 51 6.407 1.960 -2.842 1.00 0.00 N ATOM 748 CA LEU A 51 6.149 0.936 -3.898 1.00 0.00 C ATOM 749 C LEU A 51 6.772 1.390 -5.223 1.00 0.00 C ATOM 750 O LEU A 51 7.235 0.586 -6.008 1.00 0.00 O ATOM 751 CB LEU A 51 4.638 0.764 -4.078 1.00 0.00 C ATOM 752 CG LEU A 51 4.020 0.182 -2.796 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.490 0.229 -2.901 1.00 0.00 C ATOM 754 CD2 LEU A 51 4.480 -1.277 -2.591 1.00 0.00 C ATOM 0 H LEU A 51 5.583 2.473 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 51 6.594 -0.013 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.179 1.725 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.436 0.103 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 51 4.349 0.776 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.050 -0.183 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.165 1.262 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.166 -0.358 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.034 -1.674 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.165 -1.881 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.566 -1.308 -2.506 1.00 0.00 H new ATOM 766 N ILE A 52 6.786 2.669 -5.479 1.00 0.00 N ATOM 767 CA ILE A 52 7.380 3.169 -6.753 1.00 0.00 C ATOM 768 C ILE A 52 8.795 2.596 -6.907 1.00 0.00 C ATOM 769 O ILE A 52 9.318 2.504 -8.000 1.00 0.00 O ATOM 770 CB ILE A 52 7.435 4.708 -6.726 1.00 0.00 C ATOM 771 CG1 ILE A 52 6.018 5.304 -6.863 1.00 0.00 C ATOM 772 CG2 ILE A 52 8.328 5.229 -7.855 1.00 0.00 C ATOM 773 CD1 ILE A 52 5.348 4.881 -8.185 1.00 0.00 C ATOM 0 H ILE A 52 6.412 3.390 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 52 6.768 2.851 -7.597 1.00 0.00 H new ATOM 0 HB ILE A 52 7.855 5.017 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.404 4.979 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.074 6.391 -6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.357 6.318 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.337 4.835 -7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.927 4.905 -8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.352 5.320 -8.245 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.949 5.229 -9.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.268 3.795 -8.221 1.00 0.00 H new ATOM 785 N ASN A 53 9.418 2.211 -5.826 1.00 0.00 N ATOM 786 CA ASN A 53 10.796 1.648 -5.926 1.00 0.00 C ATOM 787 C ASN A 53 10.718 0.172 -6.327 1.00 0.00 C ATOM 788 O ASN A 53 11.687 -0.412 -6.770 1.00 0.00 O ATOM 789 CB ASN A 53 11.495 1.766 -4.569 1.00 0.00 C ATOM 790 CG ASN A 53 11.891 3.222 -4.322 1.00 0.00 C ATOM 791 OD1 ASN A 53 11.530 3.801 -3.317 1.00 0.00 O ATOM 792 ND2 ASN A 53 12.627 3.841 -5.204 1.00 0.00 N ATOM 0 H ASN A 53 9.035 2.261 -4.882 1.00 0.00 H new ATOM 0 HA ASN A 53 11.359 2.202 -6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.833 1.419 -3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.379 1.129 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.900 4.812 -5.050 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.930 3.354 -6.048 1.00 0.00 H new ATOM 799 N VAL A 54 9.571 -0.435 -6.181 1.00 0.00 N ATOM 800 CA VAL A 54 9.424 -1.873 -6.560 1.00 0.00 C ATOM 801 C VAL A 54 8.984 -1.968 -8.023 1.00 0.00 C ATOM 802 O VAL A 54 7.947 -1.460 -8.402 1.00 0.00 O ATOM 803 CB VAL A 54 8.378 -2.524 -5.657 1.00 0.00 C ATOM 804 CG1 VAL A 54 8.208 -3.995 -6.037 1.00 0.00 C ATOM 805 CG2 VAL A 54 8.845 -2.428 -4.205 1.00 0.00 C ATOM 0 H VAL A 54 8.726 0.003 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 54 10.376 -2.390 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 54 7.424 -2.011 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.461 -4.454 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.883 -4.067 -7.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.159 -4.514 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.104 -2.890 -3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 54 9.798 -2.945 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.966 -1.380 -3.930 1.00 0.00 H new ATOM 815 N SER A 55 9.775 -2.610 -8.849 1.00 0.00 N ATOM 816 CA SER A 55 9.430 -2.743 -10.303 1.00 0.00 C ATOM 817 C SER A 55 9.506 -4.214 -10.719 1.00 0.00 C ATOM 818 O SER A 55 10.274 -4.984 -10.176 1.00 0.00 O ATOM 819 CB SER A 55 10.428 -1.936 -11.134 1.00 0.00 C ATOM 820 OG SER A 55 10.182 -0.549 -10.947 1.00 0.00 O ATOM 0 H SER A 55 10.653 -3.052 -8.577 1.00 0.00 H new ATOM 0 HA SER A 55 8.420 -2.370 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.448 -2.180 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.334 -2.195 -12.189 1.00 0.00 H new ATOM 0 HG SER A 55 10.821 -0.029 -11.477 1.00 0.00 H new ATOM 826 N GLY A 56 8.718 -4.608 -11.685 1.00 0.00 N ATOM 827 CA GLY A 56 8.745 -6.028 -12.146 1.00 0.00 C ATOM 828 C GLY A 56 7.766 -6.866 -11.322 1.00 0.00 C ATOM 829 O GLY A 56 8.001 -8.030 -11.065 1.00 0.00 O ATOM 0 H GLY A 56 8.056 -4.007 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.482 -6.081 -13.202 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.753 -6.431 -12.048 1.00 0.00 H new ATOM 833 N CYS A 57 6.666 -6.290 -10.905 1.00 0.00 N ATOM 834 CA CYS A 57 5.670 -7.063 -10.096 1.00 0.00 C ATOM 835 C CYS A 57 4.248 -6.644 -10.486 1.00 0.00 C ATOM 836 O CYS A 57 3.740 -5.637 -10.034 1.00 0.00 O ATOM 837 CB CYS A 57 5.883 -6.780 -8.608 1.00 0.00 C ATOM 838 SG CYS A 57 7.478 -7.447 -8.072 1.00 0.00 S ATOM 0 H CYS A 57 6.414 -5.319 -11.089 1.00 0.00 H new ATOM 0 HA CYS A 57 5.805 -8.127 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.849 -5.706 -8.425 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.078 -7.228 -8.025 1.00 0.00 H new ATOM 843 N SER A 58 3.600 -7.418 -11.315 1.00 0.00 N ATOM 844 CA SER A 58 2.206 -7.083 -11.732 1.00 0.00 C ATOM 845 C SER A 58 1.261 -7.271 -10.543 1.00 0.00 C ATOM 846 O SER A 58 0.294 -6.553 -10.379 1.00 0.00 O ATOM 847 CB SER A 58 1.780 -8.015 -12.865 1.00 0.00 C ATOM 848 OG SER A 58 0.491 -7.634 -13.327 1.00 0.00 O ATOM 0 H SER A 58 3.978 -8.273 -11.724 1.00 0.00 H new ATOM 0 HA SER A 58 2.166 -6.048 -12.072 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.501 -7.967 -13.681 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.763 -9.047 -12.515 1.00 0.00 H new ATOM 0 HG SER A 58 0.215 -8.229 -14.055 1.00 0.00 H new ATOM 854 N ALA A 59 1.530 -8.249 -9.726 1.00 0.00 N ATOM 855 CA ALA A 59 0.656 -8.525 -8.550 1.00 0.00 C ATOM 856 C ALA A 59 0.397 -7.248 -7.740 1.00 0.00 C ATOM 857 O ALA A 59 -0.531 -7.196 -6.957 1.00 0.00 O ATOM 858 CB ALA A 59 1.334 -9.562 -7.653 1.00 0.00 C ATOM 0 H ALA A 59 2.328 -8.877 -9.823 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.300 -8.902 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.699 -9.768 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.492 -10.482 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.295 -9.176 -7.312 1.00 0.00 H new ATOM 864 N ILE A 60 1.201 -6.220 -7.910 1.00 0.00 N ATOM 865 CA ILE A 60 0.988 -4.951 -7.135 1.00 0.00 C ATOM 866 C ILE A 60 0.783 -3.795 -8.106 1.00 0.00 C ATOM 867 O ILE A 60 0.530 -2.675 -7.712 1.00 0.00 O ATOM 868 CB ILE A 60 2.208 -4.675 -6.247 1.00 0.00 C ATOM 869 CG1 ILE A 60 3.472 -4.518 -7.110 1.00 0.00 C ATOM 870 CG2 ILE A 60 2.401 -5.843 -5.278 1.00 0.00 C ATOM 871 CD1 ILE A 60 4.663 -4.122 -6.229 1.00 0.00 C ATOM 0 H ILE A 60 1.994 -6.205 -8.551 1.00 0.00 H new ATOM 0 HA ILE A 60 0.106 -5.054 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 60 2.041 -3.752 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.687 -5.453 -7.628 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.308 -3.760 -7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.267 -5.651 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.513 -5.950 -4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.561 -6.762 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.553 -4.013 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.449 -3.176 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.834 -4.895 -5.480 1.00 0.00 H new ATOM 883 N GLU A 61 0.882 -4.058 -9.375 1.00 0.00 N ATOM 884 CA GLU A 61 0.682 -2.972 -10.363 1.00 0.00 C ATOM 885 C GLU A 61 -0.730 -2.415 -10.183 1.00 0.00 C ATOM 886 O GLU A 61 -0.927 -1.222 -10.068 1.00 0.00 O ATOM 887 CB GLU A 61 0.879 -3.548 -11.768 1.00 0.00 C ATOM 888 CG GLU A 61 0.565 -2.496 -12.820 1.00 0.00 C ATOM 889 CD GLU A 61 0.810 -3.078 -14.213 1.00 0.00 C ATOM 890 OE1 GLU A 61 1.371 -4.158 -14.293 1.00 0.00 O ATOM 891 OE2 GLU A 61 0.431 -2.433 -15.178 1.00 0.00 O ATOM 0 H GLU A 61 1.092 -4.975 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 61 1.399 -2.164 -10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.906 -3.894 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.233 -4.415 -11.907 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.471 -2.172 -12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.189 -1.616 -12.667 1.00 0.00 H new ATOM 898 N LYS A 62 -1.711 -3.272 -10.118 1.00 0.00 N ATOM 899 CA LYS A 62 -3.105 -2.793 -9.901 1.00 0.00 C ATOM 900 C LYS A 62 -3.177 -2.103 -8.539 1.00 0.00 C ATOM 901 O LYS A 62 -3.856 -1.111 -8.363 1.00 0.00 O ATOM 902 CB LYS A 62 -4.073 -3.977 -9.922 1.00 0.00 C ATOM 903 CG LYS A 62 -4.177 -4.528 -11.344 1.00 0.00 C ATOM 904 CD LYS A 62 -5.145 -5.712 -11.361 1.00 0.00 C ATOM 905 CE LYS A 62 -5.249 -6.263 -12.784 1.00 0.00 C ATOM 906 NZ LYS A 62 -5.995 -5.292 -13.634 1.00 0.00 N ATOM 0 H LYS A 62 -1.608 -4.283 -10.206 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.381 -2.096 -10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.725 -4.756 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.056 -3.663 -9.570 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.525 -3.750 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.195 -4.842 -11.697 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.797 -6.491 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.127 -5.398 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.254 -6.433 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.760 -7.226 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.304 -5.762 -14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.827 -4.944 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.375 -4.491 -13.872 1.00 0.00 H new ATOM 920 N THR A 63 -2.481 -2.636 -7.573 1.00 0.00 N ATOM 921 CA THR A 63 -2.499 -2.039 -6.211 1.00 0.00 C ATOM 922 C THR A 63 -1.992 -0.599 -6.274 1.00 0.00 C ATOM 923 O THR A 63 -2.511 0.278 -5.614 1.00 0.00 O ATOM 924 CB THR A 63 -1.602 -2.863 -5.282 1.00 0.00 C ATOM 925 OG1 THR A 63 -2.087 -4.197 -5.226 1.00 0.00 O ATOM 926 CG2 THR A 63 -1.616 -2.256 -3.879 1.00 0.00 C ATOM 0 H THR A 63 -1.896 -3.466 -7.671 1.00 0.00 H new ATOM 0 HA THR A 63 -3.519 -2.042 -5.826 1.00 0.00 H new ATOM 0 HB THR A 63 -0.581 -2.859 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.515 -4.728 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.977 -2.845 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.246 -1.232 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.635 -2.258 -3.492 1.00 0.00 H new ATOM 934 N GLN A 64 -0.983 -0.341 -7.058 1.00 0.00 N ATOM 935 CA GLN A 64 -0.459 1.050 -7.141 1.00 0.00 C ATOM 936 C GLN A 64 -1.572 1.978 -7.632 1.00 0.00 C ATOM 937 O GLN A 64 -1.740 3.075 -7.138 1.00 0.00 O ATOM 938 CB GLN A 64 0.709 1.098 -8.131 1.00 0.00 C ATOM 939 CG GLN A 64 1.918 0.367 -7.542 1.00 0.00 C ATOM 940 CD GLN A 64 3.025 0.284 -8.596 1.00 0.00 C ATOM 941 OE1 GLN A 64 2.757 0.337 -9.780 1.00 0.00 O ATOM 942 NE2 GLN A 64 4.267 0.158 -8.214 1.00 0.00 N ATOM 0 H GLN A 64 -0.502 -1.027 -7.640 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.117 1.370 -6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.417 0.636 -9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.970 2.133 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.280 0.893 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.631 -0.634 -7.221 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.493 0.113 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.011 0.104 -8.909 1.00 0.00 H new ATOM 951 N ARG A 65 -2.339 1.546 -8.596 1.00 0.00 N ATOM 952 CA ARG A 65 -3.444 2.405 -9.109 1.00 0.00 C ATOM 953 C ARG A 65 -4.468 2.648 -7.997 1.00 0.00 C ATOM 954 O ARG A 65 -4.900 3.761 -7.774 1.00 0.00 O ATOM 955 CB ARG A 65 -4.123 1.705 -10.290 1.00 0.00 C ATOM 956 CG ARG A 65 -5.209 2.608 -10.885 1.00 0.00 C ATOM 957 CD ARG A 65 -5.868 1.883 -12.061 1.00 0.00 C ATOM 958 NE ARG A 65 -6.763 2.824 -12.816 1.00 0.00 N ATOM 959 CZ ARG A 65 -7.752 3.453 -12.237 1.00 0.00 C ATOM 960 NH1 ARG A 65 -8.102 3.161 -11.014 1.00 0.00 N ATOM 961 NH2 ARG A 65 -8.429 4.345 -12.908 1.00 0.00 N ATOM 0 H ARG A 65 -2.248 0.637 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.038 3.362 -9.437 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.383 1.462 -11.053 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.562 0.763 -9.961 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.954 2.851 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.774 3.550 -11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.103 1.485 -12.727 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.446 1.034 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.594 2.977 -13.810 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.602 2.435 -10.500 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.875 3.658 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.185 4.547 -13.878 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.202 4.840 -12.463 1.00 0.00 H new ATOM 975 N MET A 66 -4.869 1.619 -7.299 1.00 0.00 N ATOM 976 CA MET A 66 -5.870 1.816 -6.213 1.00 0.00 C ATOM 977 C MET A 66 -5.289 2.753 -5.151 1.00 0.00 C ATOM 978 O MET A 66 -5.969 3.622 -4.641 1.00 0.00 O ATOM 979 CB MET A 66 -6.231 0.468 -5.581 1.00 0.00 C ATOM 980 CG MET A 66 -7.046 -0.362 -6.581 1.00 0.00 C ATOM 981 SD MET A 66 -7.731 -1.827 -5.761 1.00 0.00 S ATOM 982 CE MET A 66 -6.194 -2.770 -5.603 1.00 0.00 C ATOM 0 H MET A 66 -4.550 0.659 -7.433 1.00 0.00 H new ATOM 0 HA MET A 66 -6.774 2.259 -6.631 1.00 0.00 H new ATOM 0 HB2 MET A 66 -5.325 -0.068 -5.300 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.805 0.624 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.852 0.243 -6.996 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.413 -0.665 -7.415 1.00 0.00 H new ATOM 0 HE1 MET A 66 -6.417 -3.770 -5.230 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.712 -2.846 -6.578 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.526 -2.263 -4.906 1.00 0.00 H new ATOM 992 N LEU A 67 -4.034 2.599 -4.826 1.00 0.00 N ATOM 993 CA LEU A 67 -3.415 3.499 -3.813 1.00 0.00 C ATOM 994 C LEU A 67 -3.446 4.927 -4.355 1.00 0.00 C ATOM 995 O LEU A 67 -3.675 5.875 -3.631 1.00 0.00 O ATOM 996 CB LEU A 67 -1.964 3.083 -3.554 1.00 0.00 C ATOM 997 CG LEU A 67 -1.915 1.724 -2.838 1.00 0.00 C ATOM 998 CD1 LEU A 67 -0.466 1.228 -2.808 1.00 0.00 C ATOM 999 CD2 LEU A 67 -2.446 1.852 -1.397 1.00 0.00 C ATOM 0 H LEU A 67 -3.413 1.891 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.969 3.435 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.422 3.023 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.465 3.839 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.543 1.014 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.422 0.264 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.097 1.119 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.154 1.948 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.404 0.880 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.833 2.564 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.478 2.203 -1.419 1.00 0.00 H new ATOM 1011 N SER A 68 -3.222 5.084 -5.632 1.00 0.00 N ATOM 1012 CA SER A 68 -3.244 6.445 -6.229 1.00 0.00 C ATOM 1013 C SER A 68 -4.621 7.056 -5.990 1.00 0.00 C ATOM 1014 O SER A 68 -4.750 8.225 -5.686 1.00 0.00 O ATOM 1015 CB SER A 68 -2.977 6.357 -7.732 1.00 0.00 C ATOM 1016 OG SER A 68 -1.700 5.771 -7.949 1.00 0.00 O ATOM 0 H SER A 68 -3.025 4.326 -6.286 1.00 0.00 H new ATOM 0 HA SER A 68 -2.473 7.064 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.750 5.761 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.014 7.351 -8.178 1.00 0.00 H new ATOM 0 HG SER A 68 -1.726 4.825 -7.694 1.00 0.00 H new ATOM 1022 N GLY A 69 -5.653 6.270 -6.118 1.00 0.00 N ATOM 1023 CA GLY A 69 -7.024 6.807 -5.889 1.00 0.00 C ATOM 1024 C GLY A 69 -7.059 7.555 -4.551 1.00 0.00 C ATOM 1025 O GLY A 69 -7.811 8.492 -4.375 1.00 0.00 O ATOM 0 H GLY A 69 -5.608 5.283 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.304 7.478 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.749 5.993 -5.883 1.00 0.00 H new ATOM 1029 N PHE A 70 -6.247 7.148 -3.605 1.00 0.00 N ATOM 1030 CA PHE A 70 -6.226 7.836 -2.274 1.00 0.00 C ATOM 1031 C PHE A 70 -5.074 8.846 -2.232 1.00 0.00 C ATOM 1032 O PHE A 70 -4.877 9.533 -1.249 1.00 0.00 O ATOM 1033 CB PHE A 70 -6.020 6.800 -1.169 1.00 0.00 C ATOM 1034 CG PHE A 70 -7.219 5.887 -1.094 1.00 0.00 C ATOM 1035 CD1 PHE A 70 -8.301 6.221 -0.273 1.00 0.00 C ATOM 1036 CD2 PHE A 70 -7.243 4.700 -1.836 1.00 0.00 C ATOM 1037 CE1 PHE A 70 -9.408 5.373 -0.193 1.00 0.00 C ATOM 1038 CE2 PHE A 70 -8.353 3.850 -1.758 1.00 0.00 C ATOM 1039 CZ PHE A 70 -9.436 4.186 -0.936 1.00 0.00 C ATOM 0 H PHE A 70 -5.597 6.368 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.173 8.355 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.120 6.218 -1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.872 7.300 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.280 7.136 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.406 4.440 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -10.242 5.633 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.374 2.935 -2.332 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.292 3.530 -0.875 1.00 0.00 H new ATOM 1049 N CYS A 71 -4.314 8.938 -3.293 1.00 0.00 N ATOM 1050 CA CYS A 71 -3.165 9.899 -3.342 1.00 0.00 C ATOM 1051 C CYS A 71 -3.262 10.710 -4.647 1.00 0.00 C ATOM 1052 O CYS A 71 -2.606 10.393 -5.620 1.00 0.00 O ATOM 1053 CB CYS A 71 -1.852 9.112 -3.327 1.00 0.00 C ATOM 1054 SG CYS A 71 -0.479 10.231 -2.955 1.00 0.00 S ATOM 0 H CYS A 71 -4.440 8.382 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 71 -3.195 10.569 -2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.900 8.319 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.692 8.633 -4.293 1.00 0.00 H new ATOM 1059 N PRO A 72 -4.094 11.731 -4.685 1.00 0.00 N ATOM 1060 CA PRO A 72 -4.272 12.549 -5.926 1.00 0.00 C ATOM 1061 C PRO A 72 -2.961 13.093 -6.523 1.00 0.00 C ATOM 1062 O PRO A 72 -2.989 13.912 -7.420 1.00 0.00 O ATOM 1063 CB PRO A 72 -5.186 13.686 -5.436 1.00 0.00 C ATOM 1064 CG PRO A 72 -5.816 13.239 -4.108 1.00 0.00 C ATOM 1065 CD PRO A 72 -4.916 12.149 -3.509 1.00 0.00 C ATOM 0 HA PRO A 72 -4.679 11.959 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.614 14.604 -5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.960 13.900 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.903 14.082 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.823 12.856 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.298 12.533 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.496 11.320 -3.104 1.00 0.00 H new ATOM 1073 N HIS A 73 -1.820 12.641 -6.056 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.521 13.131 -6.627 1.00 0.00 C ATOM 1075 C HIS A 73 0.390 11.928 -6.901 1.00 0.00 C ATOM 1076 O HIS A 73 0.823 11.238 -5.999 1.00 0.00 O ATOM 1077 CB HIS A 73 0.138 14.127 -5.650 1.00 0.00 C ATOM 1078 CG HIS A 73 0.875 13.414 -4.543 1.00 0.00 C ATOM 1079 ND1 HIS A 73 2.224 13.106 -4.633 1.00 0.00 N ATOM 1080 CD2 HIS A 73 0.473 12.975 -3.306 1.00 0.00 C ATOM 1081 CE1 HIS A 73 2.582 12.513 -3.479 1.00 0.00 C ATOM 1082 NE2 HIS A 73 1.552 12.408 -2.636 1.00 0.00 N ATOM 0 H HIS A 73 -1.731 11.956 -5.306 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.696 13.655 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.831 14.768 -6.195 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.626 14.776 -5.221 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.834 13.294 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.529 13.057 -2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.581 12.165 -3.261 1.00 0.00 H new ATOM 1090 N LYS A 74 0.664 11.669 -8.154 1.00 0.00 N ATOM 1091 CA LYS A 74 1.527 10.508 -8.520 1.00 0.00 C ATOM 1092 C LYS A 74 2.990 10.824 -8.192 1.00 0.00 C ATOM 1093 O LYS A 74 3.436 11.946 -8.330 1.00 0.00 O ATOM 1094 CB LYS A 74 1.396 10.232 -10.021 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.006 9.700 -10.336 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.119 9.430 -11.840 1.00 0.00 C ATOM 1097 CE LYS A 74 -1.516 8.897 -12.169 1.00 0.00 C ATOM 1098 NZ LYS A 74 -1.750 7.623 -11.433 1.00 0.00 N ATOM 0 H LYS A 74 0.324 12.217 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 74 1.210 9.633 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.582 11.146 -10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.148 9.507 -10.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.195 8.784 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.760 10.424 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.071 10.347 -12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.637 8.707 -12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.271 9.633 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.610 8.731 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.519 7.093 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.881 7.051 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.014 7.834 -10.449 1.00 0.00 H new ATOM 1112 N VAL A 75 3.737 9.836 -7.759 1.00 0.00 N ATOM 1113 CA VAL A 75 5.182 10.049 -7.413 1.00 0.00 C ATOM 1114 C VAL A 75 6.072 9.251 -8.369 1.00 0.00 C ATOM 1115 O VAL A 75 5.863 8.076 -8.595 1.00 0.00 O ATOM 1116 CB VAL A 75 5.434 9.588 -5.979 1.00 0.00 C ATOM 1117 CG1 VAL A 75 6.906 9.806 -5.629 1.00 0.00 C ATOM 1118 CG2 VAL A 75 4.565 10.410 -5.026 1.00 0.00 C ATOM 0 H VAL A 75 3.405 8.880 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 75 5.419 11.109 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 75 5.187 8.531 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.089 9.478 -4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.531 9.231 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.149 10.865 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.741 10.085 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.820 11.466 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.514 10.266 -5.277 1.00 0.00 H new ATOM 1128 N SER A 76 7.066 9.887 -8.935 1.00 0.00 N ATOM 1129 CA SER A 76 7.979 9.178 -9.882 1.00 0.00 C ATOM 1130 C SER A 76 9.191 8.634 -9.119 1.00 0.00 C ATOM 1131 O SER A 76 9.422 8.972 -7.975 1.00 0.00 O ATOM 1132 CB SER A 76 8.455 10.156 -10.956 1.00 0.00 C ATOM 1133 OG SER A 76 7.355 10.520 -11.780 1.00 0.00 O ATOM 0 H SER A 76 7.285 10.871 -8.781 1.00 0.00 H new ATOM 0 HA SER A 76 7.444 8.351 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 76 8.886 11.043 -10.491 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.240 9.699 -11.558 1.00 0.00 H new ATOM 0 HG SER A 76 7.656 11.149 -12.469 1.00 0.00 H new ATOM 1139 N ALA A 77 9.961 7.784 -9.745 1.00 0.00 N ATOM 1140 CA ALA A 77 11.155 7.202 -9.063 1.00 0.00 C ATOM 1141 C ALA A 77 12.180 8.294 -8.755 1.00 0.00 C ATOM 1142 O ALA A 77 13.172 8.049 -8.101 1.00 0.00 O ATOM 1143 CB ALA A 77 11.792 6.144 -9.966 1.00 0.00 C ATOM 0 H ALA A 77 9.814 7.466 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 77 10.837 6.745 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.664 5.719 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.068 5.354 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.099 6.604 -10.905 1.00 0.00 H new ATOM 1149 N GLY A 78 11.956 9.494 -9.218 1.00 0.00 N ATOM 1150 CA GLY A 78 12.928 10.600 -8.946 1.00 0.00 C ATOM 1151 C GLY A 78 12.424 11.442 -7.774 1.00 0.00 C ATOM 1152 O GLY A 78 13.193 11.933 -6.972 1.00 0.00 O ATOM 0 H GLY A 78 11.143 9.760 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.910 10.187 -8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.044 11.223 -9.833 1.00 0.00 H new ATOM 1156 N GLN A 79 11.135 11.618 -7.675 1.00 0.00 N ATOM 1157 CA GLN A 79 10.566 12.436 -6.564 1.00 0.00 C ATOM 1158 C GLN A 79 10.231 11.537 -5.366 1.00 0.00 C ATOM 1159 O GLN A 79 9.501 10.574 -5.485 1.00 0.00 O ATOM 1160 CB GLN A 79 9.295 13.126 -7.063 1.00 0.00 C ATOM 1161 CG GLN A 79 9.660 14.122 -8.167 1.00 0.00 C ATOM 1162 CD GLN A 79 10.447 15.288 -7.564 1.00 0.00 C ATOM 1163 OE1 GLN A 79 10.033 15.869 -6.581 1.00 0.00 O ATOM 1164 NE2 GLN A 79 11.575 15.653 -8.111 1.00 0.00 N ATOM 0 H GLN A 79 10.447 11.228 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 79 11.295 13.182 -6.247 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.591 12.386 -7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.801 13.643 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.254 13.627 -8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.756 14.491 -8.651 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.923 15.165 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 79 12.108 16.426 -7.713 1.00 0.00 H new ATOM 1173 N PHE A 80 10.758 11.859 -4.209 1.00 0.00 N ATOM 1174 CA PHE A 80 10.480 11.050 -2.976 1.00 0.00 C ATOM 1175 C PHE A 80 10.035 11.996 -1.857 1.00 0.00 C ATOM 1176 O PHE A 80 10.449 13.137 -1.814 1.00 0.00 O ATOM 1177 CB PHE A 80 11.749 10.325 -2.532 1.00 0.00 C ATOM 1178 CG PHE A 80 12.162 9.306 -3.568 1.00 0.00 C ATOM 1179 CD1 PHE A 80 11.595 8.025 -3.556 1.00 0.00 C ATOM 1180 CD2 PHE A 80 13.121 9.637 -4.532 1.00 0.00 C ATOM 1181 CE1 PHE A 80 11.986 7.078 -4.510 1.00 0.00 C ATOM 1182 CE2 PHE A 80 13.514 8.689 -5.484 1.00 0.00 C ATOM 1183 CZ PHE A 80 12.946 7.409 -5.473 1.00 0.00 C ATOM 0 H PHE A 80 11.376 12.657 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 80 9.701 10.318 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 80 12.553 11.045 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 80 11.578 9.832 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.856 7.768 -2.811 1.00 0.00 H new ATOM 0 HD2 PHE A 80 13.558 10.625 -4.541 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.547 6.091 -4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.255 8.945 -6.227 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.249 6.677 -6.208 1.00 0.00 H new ATOM 1193 N SER A 81 9.184 11.543 -0.958 1.00 0.00 N ATOM 1194 CA SER A 81 8.704 12.434 0.155 1.00 0.00 C ATOM 1195 C SER A 81 9.000 11.830 1.539 1.00 0.00 C ATOM 1196 O SER A 81 9.202 12.555 2.492 1.00 0.00 O ATOM 1197 CB SER A 81 7.194 12.637 0.016 1.00 0.00 C ATOM 1198 OG SER A 81 6.872 12.851 -1.351 1.00 0.00 O ATOM 0 H SER A 81 8.802 10.597 -0.947 1.00 0.00 H new ATOM 0 HA SER A 81 9.234 13.383 0.078 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.662 11.764 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.874 13.490 0.615 1.00 0.00 H new ATOM 0 HG SER A 81 5.905 12.980 -1.443 1.00 0.00 H new ATOM 1204 N SER A 82 8.987 10.519 1.676 1.00 0.00 N ATOM 1205 CA SER A 82 9.225 9.892 3.029 1.00 0.00 C ATOM 1206 C SER A 82 10.490 9.018 3.047 1.00 0.00 C ATOM 1207 O SER A 82 10.767 8.353 4.025 1.00 0.00 O ATOM 1208 CB SER A 82 8.016 9.024 3.385 1.00 0.00 C ATOM 1209 OG SER A 82 8.115 8.615 4.743 1.00 0.00 O ATOM 0 H SER A 82 8.823 9.858 0.916 1.00 0.00 H new ATOM 0 HA SER A 82 9.364 10.694 3.754 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.094 9.583 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.975 8.152 2.733 1.00 0.00 H new ATOM 0 HG SER A 82 9.037 8.344 4.937 1.00 0.00 H new ATOM 1215 N LEU A 83 11.258 9.000 1.993 1.00 0.00 N ATOM 1216 CA LEU A 83 12.494 8.150 1.985 1.00 0.00 C ATOM 1217 C LEU A 83 13.694 8.951 2.509 1.00 0.00 C ATOM 1218 O LEU A 83 14.830 8.547 2.353 1.00 0.00 O ATOM 1219 CB LEU A 83 12.786 7.674 0.563 1.00 0.00 C ATOM 1220 CG LEU A 83 11.788 6.579 0.152 1.00 0.00 C ATOM 1221 CD1 LEU A 83 11.992 5.301 0.989 1.00 0.00 C ATOM 1222 CD2 LEU A 83 10.349 7.088 0.318 1.00 0.00 C ATOM 0 H LEU A 83 11.089 9.532 1.139 1.00 0.00 H new ATOM 0 HA LEU A 83 12.329 7.289 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.721 8.513 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.804 7.289 0.503 1.00 0.00 H new ATOM 0 HG LEU A 83 11.966 6.334 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.273 4.543 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.004 4.925 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.844 5.530 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.650 6.305 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.176 7.357 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.198 7.964 -0.312 1.00 0.00 H new ATOM 1234 N HIS A 84 13.465 10.084 3.120 1.00 0.00 N ATOM 1235 CA HIS A 84 14.613 10.893 3.632 1.00 0.00 C ATOM 1236 C HIS A 84 15.182 10.233 4.888 1.00 0.00 C ATOM 1237 O HIS A 84 16.368 10.277 5.146 1.00 0.00 O ATOM 1238 CB HIS A 84 14.141 12.309 3.994 1.00 0.00 C ATOM 1239 CG HIS A 84 13.089 12.761 3.030 1.00 0.00 C ATOM 1240 ND1 HIS A 84 13.160 12.505 1.671 1.00 0.00 N ATOM 1241 CD2 HIS A 84 11.929 13.464 3.222 1.00 0.00 C ATOM 1242 CE1 HIS A 84 12.068 13.048 1.103 1.00 0.00 C ATOM 1243 NE2 HIS A 84 11.286 13.647 2.004 1.00 0.00 N ATOM 0 H HIS A 84 12.541 10.483 3.286 1.00 0.00 H new ATOM 0 HA HIS A 84 15.376 10.948 2.856 1.00 0.00 H new ATOM 0 HB2 HIS A 84 13.744 12.320 5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 84 14.985 12.999 3.974 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.569 13.822 4.175 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.850 13.005 0.046 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.406 14.134 1.835 1.00 0.00 H new ATOM 1251 N VAL A 85 14.338 9.635 5.678 1.00 0.00 N ATOM 1252 CA VAL A 85 14.819 8.989 6.926 1.00 0.00 C ATOM 1253 C VAL A 85 15.546 7.690 6.578 1.00 0.00 C ATOM 1254 O VAL A 85 15.195 6.998 5.643 1.00 0.00 O ATOM 1255 CB VAL A 85 13.625 8.694 7.834 1.00 0.00 C ATOM 1256 CG1 VAL A 85 12.670 7.725 7.133 1.00 0.00 C ATOM 1257 CG2 VAL A 85 14.121 8.070 9.139 1.00 0.00 C ATOM 0 H VAL A 85 13.334 9.566 5.512 1.00 0.00 H new ATOM 0 HA VAL A 85 15.508 9.655 7.445 1.00 0.00 H new ATOM 0 HB VAL A 85 13.098 9.623 8.051 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.820 7.517 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.315 8.172 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.193 6.795 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.271 7.859 9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 85 14.650 7.142 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 85 14.796 8.763 9.640 1.00 0.00 H new ATOM 1267 N ARG A 86 16.571 7.365 7.318 1.00 0.00 N ATOM 1268 CA ARG A 86 17.347 6.124 7.034 1.00 0.00 C ATOM 1269 C ARG A 86 16.744 4.955 7.814 1.00 0.00 C ATOM 1270 O ARG A 86 17.330 4.447 8.750 1.00 0.00 O ATOM 1271 CB ARG A 86 18.798 6.338 7.469 1.00 0.00 C ATOM 1272 CG ARG A 86 19.468 7.338 6.525 1.00 0.00 C ATOM 1273 CD ARG A 86 20.920 7.558 6.953 1.00 0.00 C ATOM 1274 NE ARG A 86 20.954 8.122 8.333 1.00 0.00 N ATOM 1275 CZ ARG A 86 22.067 8.110 9.015 1.00 0.00 C ATOM 1276 NH1 ARG A 86 23.145 7.589 8.495 1.00 0.00 N ATOM 1277 NH2 ARG A 86 22.104 8.617 10.217 1.00 0.00 N ATOM 0 H ARG A 86 16.906 7.910 8.113 1.00 0.00 H new ATOM 0 HA ARG A 86 17.311 5.899 5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 86 18.831 6.709 8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 86 19.337 5.391 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 86 19.433 6.966 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 86 18.927 8.284 6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 86 21.466 6.615 6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 86 21.415 8.237 6.259 1.00 0.00 H new ATOM 0 HE ARG A 86 20.108 8.517 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 86 23.117 7.191 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 86 24.015 7.579 9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 86 21.262 9.024 10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 86 22.975 8.607 10.748 1.00 0.00 H new ATOM 1291 N ASP A 87 15.574 4.525 7.426 1.00 0.00 N ATOM 1292 CA ASP A 87 14.915 3.386 8.126 1.00 0.00 C ATOM 1293 C ASP A 87 15.437 2.068 7.557 1.00 0.00 C ATOM 1294 O ASP A 87 16.243 2.046 6.650 1.00 0.00 O ATOM 1295 CB ASP A 87 13.402 3.463 7.914 1.00 0.00 C ATOM 1296 CG ASP A 87 12.834 4.652 8.691 1.00 0.00 C ATOM 1297 OD1 ASP A 87 13.458 5.053 9.659 1.00 0.00 O ATOM 1298 OD2 ASP A 87 11.783 5.137 8.307 1.00 0.00 O ATOM 0 H ASP A 87 15.043 4.917 6.648 1.00 0.00 H new ATOM 0 HA ASP A 87 15.138 3.439 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.178 3.569 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.930 2.539 8.248 1.00 0.00 H new ATOM 1303 N THR A 88 14.982 0.966 8.086 1.00 0.00 N ATOM 1304 CA THR A 88 15.445 -0.360 7.582 1.00 0.00 C ATOM 1305 C THR A 88 14.450 -0.882 6.543 1.00 0.00 C ATOM 1306 O THR A 88 13.266 -0.616 6.615 1.00 0.00 O ATOM 1307 CB THR A 88 15.520 -1.346 8.749 1.00 0.00 C ATOM 1308 OG1 THR A 88 16.204 -0.739 9.836 1.00 0.00 O ATOM 1309 CG2 THR A 88 16.272 -2.602 8.309 1.00 0.00 C ATOM 0 H THR A 88 14.306 0.926 8.849 1.00 0.00 H new ATOM 0 HA THR A 88 16.430 -0.255 7.126 1.00 0.00 H new ATOM 0 HB THR A 88 14.512 -1.619 9.060 1.00 0.00 H new ATOM 0 HG1 THR A 88 16.251 -1.369 10.585 1.00 0.00 H new ATOM 0 HG21 THR A 88 16.325 -3.304 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.747 -3.067 7.475 1.00 0.00 H new ATOM 0 HG23 THR A 88 17.281 -2.332 7.997 1.00 0.00 H new ATOM 1317 N LYS A 89 14.920 -1.624 5.579 1.00 0.00 N ATOM 1318 CA LYS A 89 14.002 -2.165 4.535 1.00 0.00 C ATOM 1319 C LYS A 89 13.343 -3.444 5.066 1.00 0.00 C ATOM 1320 O LYS A 89 13.913 -4.151 5.873 1.00 0.00 O ATOM 1321 CB LYS A 89 14.806 -2.517 3.280 1.00 0.00 C ATOM 1322 CG LYS A 89 15.450 -1.265 2.681 1.00 0.00 C ATOM 1323 CD LYS A 89 16.240 -1.672 1.433 1.00 0.00 C ATOM 1324 CE LYS A 89 16.900 -0.445 0.805 1.00 0.00 C ATOM 1325 NZ LYS A 89 17.703 0.275 1.833 1.00 0.00 N ATOM 0 H LYS A 89 15.901 -1.880 5.468 1.00 0.00 H new ATOM 0 HA LYS A 89 13.245 -1.418 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.578 -3.245 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.153 -2.984 2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.685 -0.533 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.110 -0.793 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.000 -2.407 1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.575 -2.146 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.540 -0.748 -0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.139 0.218 0.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.209 1.146 2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.827 -0.335 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.635 0.517 1.439 1.00 0.00 H new ATOM 1339 N ILE A 90 12.146 -3.745 4.620 1.00 0.00 N ATOM 1340 CA ILE A 90 11.437 -4.982 5.095 1.00 0.00 C ATOM 1341 C ILE A 90 10.878 -5.751 3.892 1.00 0.00 C ATOM 1342 O ILE A 90 10.713 -5.208 2.818 1.00 0.00 O ATOM 1343 CB ILE A 90 10.297 -4.580 6.035 1.00 0.00 C ATOM 1344 CG1 ILE A 90 9.328 -3.652 5.297 1.00 0.00 C ATOM 1345 CG2 ILE A 90 10.878 -3.857 7.251 1.00 0.00 C ATOM 1346 CD1 ILE A 90 8.241 -3.166 6.259 1.00 0.00 C ATOM 0 H ILE A 90 11.625 -3.186 3.944 1.00 0.00 H new ATOM 0 HA ILE A 90 12.137 -5.624 5.630 1.00 0.00 H new ATOM 0 HB ILE A 90 9.761 -5.470 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 90 9.869 -2.800 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.874 -4.178 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.070 -3.569 7.923 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.566 -4.521 7.774 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.413 -2.965 6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.554 -2.506 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.692 -4.022 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.702 -2.623 7.084 1.00 0.00 H new ATOM 1358 N GLU A 91 10.593 -7.016 4.064 1.00 0.00 N ATOM 1359 CA GLU A 91 10.053 -7.824 2.931 1.00 0.00 C ATOM 1360 C GLU A 91 8.669 -7.306 2.533 1.00 0.00 C ATOM 1361 O GLU A 91 7.892 -6.878 3.363 1.00 0.00 O ATOM 1362 CB GLU A 91 9.945 -9.293 3.352 1.00 0.00 C ATOM 1363 CG GLU A 91 11.347 -9.893 3.484 1.00 0.00 C ATOM 1364 CD GLU A 91 11.242 -11.329 4.003 1.00 0.00 C ATOM 1365 OE1 GLU A 91 11.164 -11.497 5.208 1.00 0.00 O ATOM 1366 OE2 GLU A 91 11.242 -12.235 3.186 1.00 0.00 O ATOM 0 H GLU A 91 10.711 -7.524 4.941 1.00 0.00 H new ATOM 0 HA GLU A 91 10.728 -7.737 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.414 -9.372 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.367 -9.851 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.852 -9.880 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.949 -9.292 4.166 1.00 0.00 H new ATOM 1373 N VAL A 92 8.357 -7.342 1.265 1.00 0.00 N ATOM 1374 CA VAL A 92 7.026 -6.850 0.809 1.00 0.00 C ATOM 1375 C VAL A 92 5.912 -7.601 1.550 1.00 0.00 C ATOM 1376 O VAL A 92 4.914 -7.024 1.934 1.00 0.00 O ATOM 1377 CB VAL A 92 6.896 -7.079 -0.702 1.00 0.00 C ATOM 1378 CG1 VAL A 92 5.454 -6.823 -1.151 1.00 0.00 C ATOM 1379 CG2 VAL A 92 7.829 -6.115 -1.438 1.00 0.00 C ATOM 0 H VAL A 92 8.967 -7.691 0.526 1.00 0.00 H new ATOM 0 HA VAL A 92 6.936 -5.785 1.025 1.00 0.00 H new ATOM 0 HB VAL A 92 7.165 -8.110 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.373 -6.988 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.783 -7.504 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.178 -5.794 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.741 -6.273 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.554 -5.088 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.858 -6.296 -1.128 1.00 0.00 H new ATOM 1389 N ALA A 93 6.069 -8.879 1.751 1.00 0.00 N ATOM 1390 CA ALA A 93 5.012 -9.657 2.463 1.00 0.00 C ATOM 1391 C ALA A 93 4.707 -9.008 3.819 1.00 0.00 C ATOM 1392 O ALA A 93 3.565 -8.912 4.230 1.00 0.00 O ATOM 1393 CB ALA A 93 5.500 -11.089 2.686 1.00 0.00 C ATOM 0 H ALA A 93 6.881 -9.420 1.454 1.00 0.00 H new ATOM 0 HA ALA A 93 4.106 -9.665 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.730 -11.659 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.710 -11.556 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.409 -11.074 3.288 1.00 0.00 H new ATOM 1399 N GLN A 94 5.716 -8.563 4.518 1.00 0.00 N ATOM 1400 CA GLN A 94 5.482 -7.928 5.848 1.00 0.00 C ATOM 1401 C GLN A 94 4.916 -6.522 5.645 1.00 0.00 C ATOM 1402 O GLN A 94 4.083 -6.058 6.400 1.00 0.00 O ATOM 1403 CB GLN A 94 6.809 -7.846 6.608 1.00 0.00 C ATOM 1404 CG GLN A 94 7.243 -9.254 7.020 1.00 0.00 C ATOM 1405 CD GLN A 94 8.569 -9.189 7.780 1.00 0.00 C ATOM 1406 OE1 GLN A 94 9.311 -8.235 7.653 1.00 0.00 O ATOM 1407 NE2 GLN A 94 8.900 -10.172 8.573 1.00 0.00 N ATOM 0 H GLN A 94 6.692 -8.611 4.226 1.00 0.00 H new ATOM 0 HA GLN A 94 4.772 -8.523 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 94 7.573 -7.386 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 94 6.698 -7.215 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.477 -9.711 7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.351 -9.884 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.277 -10.973 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 94 9.781 -10.139 9.086 1.00 0.00 H new ATOM 1416 N PHE A 95 5.360 -5.846 4.626 1.00 0.00 N ATOM 1417 CA PHE A 95 4.858 -4.470 4.350 1.00 0.00 C ATOM 1418 C PHE A 95 3.344 -4.504 4.120 1.00 0.00 C ATOM 1419 O PHE A 95 2.602 -3.734 4.696 1.00 0.00 O ATOM 1420 CB PHE A 95 5.552 -3.949 3.092 1.00 0.00 C ATOM 1421 CG PHE A 95 5.023 -2.582 2.731 1.00 0.00 C ATOM 1422 CD1 PHE A 95 3.919 -2.468 1.879 1.00 0.00 C ATOM 1423 CD2 PHE A 95 5.638 -1.432 3.239 1.00 0.00 C ATOM 1424 CE1 PHE A 95 3.428 -1.204 1.535 1.00 0.00 C ATOM 1425 CE2 PHE A 95 5.148 -0.167 2.894 1.00 0.00 C ATOM 1426 CZ PHE A 95 4.043 -0.054 2.042 1.00 0.00 C ATOM 0 H PHE A 95 6.056 -6.190 3.965 1.00 0.00 H new ATOM 0 HA PHE A 95 5.071 -3.819 5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.628 -3.898 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.388 -4.640 2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.446 -3.356 1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.490 -1.521 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.575 -1.116 0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 95 5.622 0.721 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.665 0.922 1.776 1.00 0.00 H new ATOM 1436 N VAL A 96 2.884 -5.383 3.273 1.00 0.00 N ATOM 1437 CA VAL A 96 1.421 -5.458 2.993 1.00 0.00 C ATOM 1438 C VAL A 96 0.652 -5.810 4.271 1.00 0.00 C ATOM 1439 O VAL A 96 -0.348 -5.199 4.591 1.00 0.00 O ATOM 1440 CB VAL A 96 1.164 -6.542 1.942 1.00 0.00 C ATOM 1441 CG1 VAL A 96 -0.340 -6.670 1.690 1.00 0.00 C ATOM 1442 CG2 VAL A 96 1.869 -6.167 0.637 1.00 0.00 C ATOM 0 H VAL A 96 3.458 -6.054 2.762 1.00 0.00 H new ATOM 0 HA VAL A 96 1.081 -4.489 2.627 1.00 0.00 H new ATOM 0 HB VAL A 96 1.552 -7.494 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.519 -7.442 0.942 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.843 -6.941 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.731 -5.718 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.686 -6.939 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.483 -5.214 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.941 -6.081 0.814 1.00 0.00 H new ATOM 1452 N LYS A 97 1.096 -6.802 4.994 1.00 0.00 N ATOM 1453 CA LYS A 97 0.372 -7.200 6.237 1.00 0.00 C ATOM 1454 C LYS A 97 0.321 -6.037 7.236 1.00 0.00 C ATOM 1455 O LYS A 97 -0.718 -5.739 7.798 1.00 0.00 O ATOM 1456 CB LYS A 97 1.078 -8.402 6.866 1.00 0.00 C ATOM 1457 CG LYS A 97 0.859 -9.631 5.979 1.00 0.00 C ATOM 1458 CD LYS A 97 1.558 -10.847 6.589 1.00 0.00 C ATOM 1459 CE LYS A 97 1.293 -12.073 5.713 1.00 0.00 C ATOM 1460 NZ LYS A 97 2.060 -13.238 6.235 1.00 0.00 N ATOM 0 H LYS A 97 1.927 -7.353 4.779 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.653 -7.468 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.144 -8.199 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.688 -8.586 7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.208 -9.829 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.248 -9.442 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.630 -10.665 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.192 -11.022 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.227 -12.302 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.584 -11.866 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.878 -14.069 5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.076 -13.018 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.762 -13.441 7.211 1.00 0.00 H new ATOM 1474 N ASP A 98 1.420 -5.370 7.464 1.00 0.00 N ATOM 1475 CA ASP A 98 1.399 -4.238 8.435 1.00 0.00 C ATOM 1476 C ASP A 98 0.404 -3.184 7.953 1.00 0.00 C ATOM 1477 O ASP A 98 -0.335 -2.609 8.728 1.00 0.00 O ATOM 1478 CB ASP A 98 2.793 -3.616 8.526 1.00 0.00 C ATOM 1479 CG ASP A 98 3.742 -4.588 9.231 1.00 0.00 C ATOM 1480 OD1 ASP A 98 3.253 -5.466 9.922 1.00 0.00 O ATOM 1481 OD2 ASP A 98 4.941 -4.436 9.069 1.00 0.00 O ATOM 0 H ASP A 98 2.322 -5.557 7.026 1.00 0.00 H new ATOM 0 HA ASP A 98 1.102 -4.604 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.166 -3.387 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.747 -2.674 9.073 1.00 0.00 H new ATOM 1486 N LEU A 99 0.372 -2.937 6.677 1.00 0.00 N ATOM 1487 CA LEU A 99 -0.580 -1.934 6.132 1.00 0.00 C ATOM 1488 C LEU A 99 -2.018 -2.409 6.384 1.00 0.00 C ATOM 1489 O LEU A 99 -2.903 -1.624 6.660 1.00 0.00 O ATOM 1490 CB LEU A 99 -0.328 -1.765 4.628 1.00 0.00 C ATOM 1491 CG LEU A 99 -1.298 -0.733 4.034 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -1.112 0.634 4.717 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.024 -0.599 2.533 1.00 0.00 C ATOM 0 H LEU A 99 0.968 -3.389 5.983 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.435 -0.973 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.700 -1.446 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.452 -2.723 4.122 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.322 -1.067 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.807 1.354 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.308 0.537 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.090 0.980 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.708 0.132 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.003 -0.269 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.172 -1.564 2.049 1.00 0.00 H new ATOM 1505 N LEU A 100 -2.257 -3.690 6.269 1.00 0.00 N ATOM 1506 CA LEU A 100 -3.638 -4.225 6.476 1.00 0.00 C ATOM 1507 C LEU A 100 -4.174 -3.831 7.856 1.00 0.00 C ATOM 1508 O LEU A 100 -5.330 -3.481 7.989 1.00 0.00 O ATOM 1509 CB LEU A 100 -3.619 -5.757 6.345 1.00 0.00 C ATOM 1510 CG LEU A 100 -4.985 -6.355 6.729 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -6.095 -5.730 5.876 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -4.951 -7.870 6.490 1.00 0.00 C ATOM 0 H LEU A 100 -1.553 -4.392 6.040 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.294 -3.798 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.370 -6.036 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.842 -6.172 6.987 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.187 -6.146 7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.056 -6.161 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.118 -4.653 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.901 -5.931 4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.915 -8.303 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.746 -8.068 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.168 -8.318 7.103 1.00 0.00 H new ATOM 1524 N LEU A 101 -3.378 -3.889 8.891 1.00 0.00 N ATOM 1525 CA LEU A 101 -3.933 -3.513 10.231 1.00 0.00 C ATOM 1526 C LEU A 101 -4.426 -2.063 10.188 1.00 0.00 C ATOM 1527 O LEU A 101 -5.462 -1.734 10.731 1.00 0.00 O ATOM 1528 CB LEU A 101 -2.866 -3.642 11.334 1.00 0.00 C ATOM 1529 CG LEU A 101 -2.513 -5.116 11.619 1.00 0.00 C ATOM 1530 CD1 LEU A 101 -3.758 -5.906 12.057 1.00 0.00 C ATOM 1531 CD2 LEU A 101 -1.902 -5.754 10.370 1.00 0.00 C ATOM 0 H LEU A 101 -2.398 -4.171 8.874 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.755 -4.191 10.460 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -1.967 -3.104 11.034 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.229 -3.172 12.248 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.788 -5.145 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.482 -6.942 12.252 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.169 -5.463 12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.507 -5.873 11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.655 -6.795 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.619 -5.708 9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.997 -5.214 10.092 1.00 0.00 H new ATOM 1543 N HIS A 102 -3.696 -1.192 9.554 1.00 0.00 N ATOM 1544 CA HIS A 102 -4.130 0.233 9.483 1.00 0.00 C ATOM 1545 C HIS A 102 -5.347 0.399 8.563 1.00 0.00 C ATOM 1546 O HIS A 102 -6.234 1.173 8.843 1.00 0.00 O ATOM 1547 CB HIS A 102 -2.969 1.096 8.970 1.00 0.00 C ATOM 1548 CG HIS A 102 -2.001 1.340 10.093 1.00 0.00 C ATOM 1549 ND1 HIS A 102 -2.098 2.449 10.917 1.00 0.00 N ATOM 1550 CD2 HIS A 102 -0.938 0.614 10.562 1.00 0.00 C ATOM 1551 CE1 HIS A 102 -1.120 2.360 11.833 1.00 0.00 C ATOM 1552 NE2 HIS A 102 -0.381 1.259 11.663 1.00 0.00 N ATOM 0 H HIS A 102 -2.817 -1.403 9.081 1.00 0.00 H new ATOM 0 HA HIS A 102 -4.417 0.555 10.484 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -2.466 0.595 8.143 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -3.346 2.044 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.586 -0.317 10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -0.951 3.089 12.612 1.00 0.00 H new ATOM 0 HE2 HIS A 102 0.418 0.957 12.220 1.00 0.00 H new ATOM 1560 N LEU A 103 -5.392 -0.287 7.456 1.00 0.00 N ATOM 1561 CA LEU A 103 -6.553 -0.103 6.532 1.00 0.00 C ATOM 1562 C LEU A 103 -7.862 -0.462 7.239 1.00 0.00 C ATOM 1563 O LEU A 103 -8.812 0.295 7.218 1.00 0.00 O ATOM 1564 CB LEU A 103 -6.377 -1.003 5.305 1.00 0.00 C ATOM 1565 CG LEU A 103 -5.193 -0.511 4.461 1.00 0.00 C ATOM 1566 CD1 LEU A 103 -4.898 -1.541 3.364 1.00 0.00 C ATOM 1567 CD2 LEU A 103 -5.509 0.857 3.820 1.00 0.00 C ATOM 0 H LEU A 103 -4.688 -0.959 7.151 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.593 0.942 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.207 -2.033 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.288 -0.999 4.707 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.322 -0.393 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.058 -1.199 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.650 -2.499 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.777 -1.659 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.656 1.186 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.384 0.764 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.710 1.588 4.603 1.00 0.00 H new ATOM 1579 N LYS A 104 -7.927 -1.599 7.867 1.00 0.00 N ATOM 1580 CA LYS A 104 -9.184 -1.986 8.571 1.00 0.00 C ATOM 1581 C LYS A 104 -9.433 -1.048 9.756 1.00 0.00 C ATOM 1582 O LYS A 104 -10.557 -0.821 10.156 1.00 0.00 O ATOM 1583 CB LYS A 104 -9.060 -3.420 9.084 1.00 0.00 C ATOM 1584 CG LYS A 104 -7.884 -3.510 10.059 1.00 0.00 C ATOM 1585 CD LYS A 104 -7.598 -4.977 10.388 1.00 0.00 C ATOM 1586 CE LYS A 104 -8.848 -5.630 10.975 1.00 0.00 C ATOM 1587 NZ LYS A 104 -9.527 -4.680 11.900 1.00 0.00 N ATOM 0 H LYS A 104 -7.168 -2.278 7.925 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.018 -1.913 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.982 -3.722 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.908 -4.105 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.000 -3.046 9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.113 -2.960 10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.289 -5.507 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.773 -5.046 11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.528 -5.920 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.577 -6.541 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.101 -5.212 12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.813 -4.120 12.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.142 -4.044 11.354 1.00 0.00 H new ATOM 1601 N LYS A 105 -8.389 -0.527 10.337 1.00 0.00 N ATOM 1602 CA LYS A 105 -8.553 0.370 11.519 1.00 0.00 C ATOM 1603 C LYS A 105 -9.303 1.655 11.136 1.00 0.00 C ATOM 1604 O LYS A 105 -10.226 2.060 11.813 1.00 0.00 O ATOM 1605 CB LYS A 105 -7.163 0.708 12.063 1.00 0.00 C ATOM 1606 CG LYS A 105 -7.279 1.630 13.282 1.00 0.00 C ATOM 1607 CD LYS A 105 -5.880 1.927 13.828 1.00 0.00 C ATOM 1608 CE LYS A 105 -5.990 2.845 15.047 1.00 0.00 C ATOM 1609 NZ LYS A 105 -6.539 4.166 14.630 1.00 0.00 N ATOM 0 H LYS A 105 -7.424 -0.683 10.044 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.143 -0.138 12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.641 -0.208 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.569 1.192 11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.778 2.558 13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.890 1.158 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.381 0.998 14.104 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.271 2.400 13.058 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.636 2.392 15.799 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.010 2.976 15.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.320 4.878 15.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.111 4.450 13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -7.570 4.093 14.517 1.00 0.00 H new ATOM 1623 N LEU A 106 -8.924 2.303 10.069 1.00 0.00 N ATOM 1624 CA LEU A 106 -9.636 3.557 9.678 1.00 0.00 C ATOM 1625 C LEU A 106 -11.110 3.250 9.386 1.00 0.00 C ATOM 1626 O LEU A 106 -11.967 4.094 9.561 1.00 0.00 O ATOM 1627 CB LEU A 106 -8.973 4.191 8.438 1.00 0.00 C ATOM 1628 CG LEU A 106 -7.724 5.023 8.819 1.00 0.00 C ATOM 1629 CD1 LEU A 106 -8.137 6.399 9.361 1.00 0.00 C ATOM 1630 CD2 LEU A 106 -6.879 4.302 9.878 1.00 0.00 C ATOM 0 H LEU A 106 -8.159 2.024 9.454 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.574 4.266 10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.688 3.407 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.693 4.829 7.927 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.128 5.149 7.915 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.246 6.969 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.700 6.937 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.759 6.269 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.009 4.910 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.478 4.143 10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.549 3.339 9.487 1.00 0.00 H new ATOM 1642 N PHE A 107 -11.424 2.063 8.942 1.00 0.00 N ATOM 1643 CA PHE A 107 -12.853 1.753 8.650 1.00 0.00 C ATOM 1644 C PHE A 107 -13.692 1.912 9.921 1.00 0.00 C ATOM 1645 O PHE A 107 -14.800 2.408 9.882 1.00 0.00 O ATOM 1646 CB PHE A 107 -13.002 0.321 8.131 1.00 0.00 C ATOM 1647 CG PHE A 107 -14.467 0.075 7.865 1.00 0.00 C ATOM 1648 CD1 PHE A 107 -15.046 0.500 6.663 1.00 0.00 C ATOM 1649 CD2 PHE A 107 -15.254 -0.559 8.834 1.00 0.00 C ATOM 1650 CE1 PHE A 107 -16.411 0.293 6.433 1.00 0.00 C ATOM 1651 CE2 PHE A 107 -16.617 -0.770 8.602 1.00 0.00 C ATOM 1652 CZ PHE A 107 -17.197 -0.343 7.402 1.00 0.00 C ATOM 0 H PHE A 107 -10.764 1.304 8.771 1.00 0.00 H new ATOM 0 HA PHE A 107 -13.201 2.448 7.886 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -12.420 0.183 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -12.622 -0.392 8.863 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -14.440 0.987 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -14.808 -0.886 9.762 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -16.858 0.624 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -17.222 -1.262 9.349 1.00 0.00 H new ATOM 0 HZ PHE A 107 -18.250 -0.504 7.223 1.00 0.00 H new ATOM 1662 N ARG A 108 -13.181 1.493 11.044 1.00 0.00 N ATOM 1663 CA ARG A 108 -13.959 1.620 12.308 1.00 0.00 C ATOM 1664 C ARG A 108 -14.273 3.095 12.577 1.00 0.00 C ATOM 1665 O ARG A 108 -15.310 3.427 13.118 1.00 0.00 O ATOM 1666 CB ARG A 108 -13.152 1.043 13.474 1.00 0.00 C ATOM 1667 CG ARG A 108 -13.071 -0.480 13.333 1.00 0.00 C ATOM 1668 CD ARG A 108 -12.267 -1.060 14.498 1.00 0.00 C ATOM 1669 NE ARG A 108 -12.124 -2.533 14.318 1.00 0.00 N ATOM 1670 CZ ARG A 108 -11.236 -3.193 15.010 1.00 0.00 C ATOM 1671 NH1 ARG A 108 -10.484 -2.568 15.874 1.00 0.00 N ATOM 1672 NH2 ARG A 108 -11.098 -4.479 14.837 1.00 0.00 N ATOM 0 H ARG A 108 -12.259 1.068 11.142 1.00 0.00 H new ATOM 0 HA ARG A 108 -14.893 1.066 12.210 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.150 1.472 13.485 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.622 1.307 14.422 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.073 -0.908 13.321 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.600 -0.743 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.284 -0.591 14.544 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.768 -0.845 15.442 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.721 -3.025 13.653 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.590 -1.563 16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.790 -3.085 16.414 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.684 -4.968 14.161 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.404 -4.995 15.378 1.00 0.00 H new ATOM 1686 N GLU A 109 -13.387 3.985 12.213 1.00 0.00 N ATOM 1687 CA GLU A 109 -13.644 5.436 12.462 1.00 0.00 C ATOM 1688 C GLU A 109 -14.493 6.019 11.327 1.00 0.00 C ATOM 1689 O GLU A 109 -15.031 7.103 11.441 1.00 0.00 O ATOM 1690 CB GLU A 109 -12.309 6.182 12.525 1.00 0.00 C ATOM 1691 CG GLU A 109 -11.564 5.790 13.801 1.00 0.00 C ATOM 1692 CD GLU A 109 -10.213 6.505 13.844 1.00 0.00 C ATOM 1693 OE1 GLU A 109 -9.909 7.212 12.897 1.00 0.00 O ATOM 1694 OE2 GLU A 109 -9.503 6.332 14.821 1.00 0.00 O ATOM 0 H GLU A 109 -12.500 3.772 11.756 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.178 5.548 13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.705 5.942 11.650 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.481 7.258 12.508 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.156 6.056 14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -11.417 4.710 13.832 1.00 0.00 H new ATOM 1701 N GLY A 110 -14.627 5.314 10.236 1.00 0.00 N ATOM 1702 CA GLY A 110 -15.450 5.837 9.110 1.00 0.00 C ATOM 1703 C GLY A 110 -14.794 7.095 8.539 1.00 0.00 C ATOM 1704 O GLY A 110 -15.316 7.725 7.640 1.00 0.00 O ATOM 0 H GLY A 110 -14.203 4.400 10.077 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.545 5.079 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -16.458 6.065 9.458 1.00 0.00 H new ATOM 1708 N ARG A 111 -13.649 7.467 9.051 1.00 0.00 N ATOM 1709 CA ARG A 111 -12.952 8.685 8.537 1.00 0.00 C ATOM 1710 C ARG A 111 -11.914 8.259 7.500 1.00 0.00 C ATOM 1711 O ARG A 111 -10.830 7.818 7.830 1.00 0.00 O ATOM 1712 CB ARG A 111 -12.259 9.396 9.701 1.00 0.00 C ATOM 1713 CG ARG A 111 -13.316 10.018 10.615 1.00 0.00 C ATOM 1714 CD ARG A 111 -12.628 10.681 11.809 1.00 0.00 C ATOM 1715 NE ARG A 111 -13.651 11.051 12.844 1.00 0.00 N ATOM 1716 CZ ARG A 111 -14.651 11.845 12.572 1.00 0.00 C ATOM 1717 NH1 ARG A 111 -14.705 12.481 11.434 1.00 0.00 N ATOM 1718 NH2 ARG A 111 -15.580 12.043 13.467 1.00 0.00 N ATOM 0 H ARG A 111 -13.165 6.979 9.805 1.00 0.00 H new ATOM 0 HA ARG A 111 -13.670 9.364 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.647 8.689 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.589 10.168 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -13.902 10.754 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -14.010 9.252 10.960 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -11.891 10.002 12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -12.089 11.571 11.482 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.562 10.671 13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -13.961 12.360 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -15.491 13.099 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -15.522 11.579 14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -16.364 12.662 13.260 1.00 0.00 H new ATOM 1732 N PHE A 112 -12.253 8.372 6.246 1.00 0.00 N ATOM 1733 CA PHE A 112 -11.316 7.963 5.159 1.00 0.00 C ATOM 1734 C PHE A 112 -10.510 9.173 4.680 1.00 0.00 C ATOM 1735 O PHE A 112 -11.026 10.267 4.563 1.00 0.00 O ATOM 1736 CB PHE A 112 -12.145 7.384 4.017 1.00 0.00 C ATOM 1737 CG PHE A 112 -13.067 6.343 4.600 1.00 0.00 C ATOM 1738 CD1 PHE A 112 -12.595 5.049 4.838 1.00 0.00 C ATOM 1739 CD2 PHE A 112 -14.387 6.678 4.926 1.00 0.00 C ATOM 1740 CE1 PHE A 112 -13.443 4.088 5.399 1.00 0.00 C ATOM 1741 CE2 PHE A 112 -15.235 5.714 5.487 1.00 0.00 C ATOM 1742 CZ PHE A 112 -14.761 4.420 5.723 1.00 0.00 C ATOM 0 H PHE A 112 -13.150 8.735 5.923 1.00 0.00 H new ATOM 0 HA PHE A 112 -10.612 7.215 5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.718 8.169 3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -11.497 6.940 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -11.576 4.791 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -14.751 7.679 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.078 3.088 5.582 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -16.254 5.970 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 112 -15.414 3.677 6.156 1.00 0.00 H new ATOM 1752 N ASN A 113 -9.246 8.983 4.411 1.00 0.00 N ATOM 1753 CA ASN A 113 -8.396 10.116 3.948 1.00 0.00 C ATOM 1754 C ASN A 113 -8.512 11.281 4.933 1.00 0.00 C ATOM 1755 CB ASN A 113 -8.844 10.575 2.557 1.00 0.00 C ATOM 1756 CG ASN A 113 -8.398 9.549 1.517 1.00 0.00 C ATOM 1757 OD1 ASN A 113 -7.503 8.767 1.768 1.00 0.00 O ATOM 1758 ND2 ASN A 113 -8.984 9.521 0.351 1.00 0.00 N ATOM 1759 OXT ASN A 113 -9.270 11.155 5.881 1.00 0.00 O ATOM 0 H ASN A 113 -8.764 8.088 4.493 1.00 0.00 H new ATOM 0 HA ASN A 113 -7.359 9.784 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -9.928 10.688 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.416 11.551 2.328 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -8.691 8.842 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.735 10.178 0.142 1.00 0.00 H new