USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot -85:sc= 1.11 USER MOD Set 1.2: A 79 MET CE :methyl -146:sc= -7.31! (180deg=-9.42!) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.1 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.194 K(o=-0.19,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 67:sc= 0.44! USER MOD Single : A 20 SER OG : rot 17:sc= 0.457! USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00487 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.065 X(o=-0.065,f=-0.35) USER MOD Single : A 38 LYS NZ :NH3+ 153:sc= -0.0265 (180deg=-0.336) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.48 K(o=-2.5,f=-5.3!) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= 0.115 (180deg=-0.288) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.59 X(o=-1.6,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.33! C(o=-4.3!,f=-6.1!) USER MOD Single : A 75 THR OG1 : rot -129:sc= -0.735 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -162:sc= 0 (180deg=-0.176) USER MOD Single : A 80 MET CE :methyl -171:sc= 0 (180deg=-0.102) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 85 SER OG : rot -174:sc= -1 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.856 11.805 12.030 1.00 0.00 N ATOM 2 CA GLY A 1 20.853 12.031 11.004 1.00 0.00 C ATOM 3 C GLY A 1 21.325 11.501 9.648 1.00 0.00 C ATOM 4 O GLY A 1 22.450 11.017 9.525 1.00 0.00 O ATOM 0 H1 GLY A 1 21.526 11.064 12.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.746 11.503 11.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.015 12.686 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.922 11.539 11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.640 13.097 10.927 1.00 0.00 H new ATOM 8 N SER A 2 20.443 11.609 8.666 1.00 0.00 N ATOM 9 CA SER A 2 20.756 11.147 7.325 1.00 0.00 C ATOM 10 C SER A 2 20.055 12.030 6.290 1.00 0.00 C ATOM 11 O SER A 2 19.014 12.620 6.575 1.00 0.00 O ATOM 12 CB SER A 2 20.348 9.684 7.137 1.00 0.00 C ATOM 13 OG SER A 2 21.123 9.039 6.130 1.00 0.00 O ATOM 0 H SER A 2 19.511 12.010 8.772 1.00 0.00 H new ATOM 0 HA SER A 2 21.834 11.217 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.464 9.151 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.292 9.633 6.870 1.00 0.00 H new ATOM 0 HG SER A 2 20.834 8.107 6.041 1.00 0.00 H new ATOM 19 N SER A 3 20.654 12.092 5.110 1.00 0.00 N ATOM 20 CA SER A 3 20.100 12.893 4.031 1.00 0.00 C ATOM 21 C SER A 3 18.686 12.415 3.697 1.00 0.00 C ATOM 22 O SER A 3 18.285 11.324 4.098 1.00 0.00 O ATOM 23 CB SER A 3 20.989 12.832 2.787 1.00 0.00 C ATOM 24 OG SER A 3 22.034 13.800 2.829 1.00 0.00 O ATOM 0 H SER A 3 21.517 11.601 4.877 1.00 0.00 H new ATOM 0 HA SER A 3 20.057 13.930 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.422 11.835 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.380 12.995 1.898 1.00 0.00 H new ATOM 0 HG SER A 3 22.580 13.728 2.018 1.00 0.00 H new ATOM 30 N GLY A 4 17.969 13.256 2.967 1.00 0.00 N ATOM 31 CA GLY A 4 16.607 12.933 2.574 1.00 0.00 C ATOM 32 C GLY A 4 16.592 11.876 1.468 1.00 0.00 C ATOM 33 O GLY A 4 17.624 11.286 1.154 1.00 0.00 O ATOM 0 H GLY A 4 18.305 14.161 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.052 12.568 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.101 13.834 2.228 1.00 0.00 H new ATOM 37 N SER A 5 15.409 11.670 0.907 1.00 0.00 N ATOM 38 CA SER A 5 15.246 10.695 -0.158 1.00 0.00 C ATOM 39 C SER A 5 14.465 11.314 -1.319 1.00 0.00 C ATOM 40 O SER A 5 13.402 11.898 -1.115 1.00 0.00 O ATOM 41 CB SER A 5 14.535 9.439 0.350 1.00 0.00 C ATOM 42 OG SER A 5 15.356 8.681 1.234 1.00 0.00 O ATOM 0 H SER A 5 14.555 12.162 1.170 1.00 0.00 H new ATOM 0 HA SER A 5 16.236 10.403 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.617 9.725 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.246 8.818 -0.498 1.00 0.00 H new ATOM 0 HG SER A 5 14.866 7.889 1.537 1.00 0.00 H new ATOM 48 N SER A 6 15.023 11.165 -2.511 1.00 0.00 N ATOM 49 CA SER A 6 14.392 11.702 -3.705 1.00 0.00 C ATOM 50 C SER A 6 13.154 10.876 -4.059 1.00 0.00 C ATOM 51 O SER A 6 13.270 9.781 -4.608 1.00 0.00 O ATOM 52 CB SER A 6 15.370 11.725 -4.882 1.00 0.00 C ATOM 53 OG SER A 6 16.258 12.837 -4.817 1.00 0.00 O ATOM 0 H SER A 6 15.905 10.680 -2.676 1.00 0.00 H new ATOM 0 HA SER A 6 14.089 12.729 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.947 10.800 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.811 11.762 -5.817 1.00 0.00 H new ATOM 0 HG SER A 6 16.867 12.815 -5.585 1.00 0.00 H new ATOM 59 N GLY A 7 11.997 11.432 -3.731 1.00 0.00 N ATOM 60 CA GLY A 7 10.739 10.761 -4.008 1.00 0.00 C ATOM 61 C GLY A 7 9.986 10.452 -2.713 1.00 0.00 C ATOM 62 O GLY A 7 10.285 11.023 -1.665 1.00 0.00 O ATOM 0 H GLY A 7 11.905 12.340 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.122 11.389 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.928 9.836 -4.552 1.00 0.00 H new ATOM 66 N LEU A 8 9.022 9.550 -2.827 1.00 0.00 N ATOM 67 CA LEU A 8 8.223 9.158 -1.678 1.00 0.00 C ATOM 68 C LEU A 8 8.254 7.635 -1.536 1.00 0.00 C ATOM 69 O LEU A 8 7.501 6.931 -2.205 1.00 0.00 O ATOM 70 CB LEU A 8 6.811 9.738 -1.784 1.00 0.00 C ATOM 71 CG LEU A 8 6.335 10.567 -0.590 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.920 11.979 -0.634 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.807 10.582 -0.508 1.00 0.00 C ATOM 0 H LEU A 8 8.776 9.079 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 8 8.644 9.572 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.762 10.362 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.112 8.915 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 8 6.702 10.095 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.565 12.547 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.008 11.923 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.604 12.475 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.494 11.178 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.398 11.016 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.439 9.562 -0.395 1.00 0.00 H new ATOM 85 N PRO A 9 9.157 7.160 -0.636 1.00 0.00 N ATOM 86 CA PRO A 9 9.295 5.734 -0.398 1.00 0.00 C ATOM 87 C PRO A 9 8.130 5.201 0.439 1.00 0.00 C ATOM 88 O PRO A 9 7.798 5.768 1.479 1.00 0.00 O ATOM 89 CB PRO A 9 10.641 5.579 0.293 1.00 0.00 C ATOM 90 CG PRO A 9 10.993 6.956 0.832 1.00 0.00 C ATOM 91 CD PRO A 9 10.065 7.965 0.175 1.00 0.00 C ATOM 0 HA PRO A 9 9.263 5.150 -1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.585 4.847 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.400 5.227 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.879 6.982 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.034 7.196 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.521 8.546 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.621 8.674 -0.439 1.00 0.00 H new ATOM 99 N ILE A 10 7.540 4.119 -0.048 1.00 0.00 N ATOM 100 CA ILE A 10 6.418 3.505 0.642 1.00 0.00 C ATOM 101 C ILE A 10 6.770 2.057 0.989 1.00 0.00 C ATOM 102 O ILE A 10 6.980 1.235 0.098 1.00 0.00 O ATOM 103 CB ILE A 10 5.139 3.645 -0.185 1.00 0.00 C ATOM 104 CG1 ILE A 10 4.713 5.111 -0.291 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.022 2.763 0.377 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.839 5.340 -1.526 1.00 0.00 C ATOM 0 H ILE A 10 7.818 3.652 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 10 6.220 4.020 1.582 1.00 0.00 H new ATOM 0 HB ILE A 10 5.347 3.295 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.165 5.400 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.596 5.747 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.124 2.882 -0.230 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.338 1.720 0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.807 3.058 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.550 6.390 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.399 5.073 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.945 4.720 -1.459 1.00 0.00 H new ATOM 118 N ILE A 11 6.823 1.789 2.285 1.00 0.00 N ATOM 119 CA ILE A 11 7.146 0.454 2.761 1.00 0.00 C ATOM 120 C ILE A 11 5.851 -0.316 3.023 1.00 0.00 C ATOM 121 O ILE A 11 4.914 0.219 3.614 1.00 0.00 O ATOM 122 CB ILE A 11 8.074 0.528 3.975 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.464 1.028 3.573 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.136 -0.818 4.700 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.246 1.513 4.795 1.00 0.00 C ATOM 0 H ILE A 11 6.648 2.473 3.021 1.00 0.00 H new ATOM 0 HA ILE A 11 7.698 -0.099 2.001 1.00 0.00 H new ATOM 0 HB ILE A 11 7.662 1.253 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.014 0.227 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.368 1.840 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.802 -0.738 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.138 -1.095 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.512 -1.581 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.230 1.863 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.705 2.330 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.361 0.692 5.503 1.00 0.00 H new ATOM 137 N VAL A 12 5.838 -1.562 2.570 1.00 0.00 N ATOM 138 CA VAL A 12 4.673 -2.411 2.749 1.00 0.00 C ATOM 139 C VAL A 12 5.099 -3.720 3.418 1.00 0.00 C ATOM 140 O VAL A 12 5.768 -4.547 2.801 1.00 0.00 O ATOM 141 CB VAL A 12 3.973 -2.627 1.406 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.573 -3.212 1.605 1.00 0.00 C ATOM 143 CG2 VAL A 12 3.914 -1.326 0.603 1.00 0.00 C ATOM 0 H VAL A 12 6.616 -2.003 2.080 1.00 0.00 H new ATOM 0 HA VAL A 12 3.948 -1.931 3.406 1.00 0.00 H new ATOM 0 HB VAL A 12 4.559 -3.347 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.097 -3.356 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.649 -4.171 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.974 -2.527 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.412 -1.507 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.362 -0.575 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.926 -0.968 0.416 1.00 0.00 H new ATOM 153 N LYS A 13 4.694 -3.866 4.671 1.00 0.00 N ATOM 154 CA LYS A 13 5.025 -5.059 5.430 1.00 0.00 C ATOM 155 C LYS A 13 3.952 -6.123 5.193 1.00 0.00 C ATOM 156 O LYS A 13 2.792 -5.933 5.557 1.00 0.00 O ATOM 157 CB LYS A 13 5.233 -4.714 6.906 1.00 0.00 C ATOM 158 CG LYS A 13 5.299 -5.981 7.761 1.00 0.00 C ATOM 159 CD LYS A 13 6.647 -6.092 8.476 1.00 0.00 C ATOM 160 CE LYS A 13 6.473 -6.639 9.894 1.00 0.00 C ATOM 161 NZ LYS A 13 6.464 -5.534 10.879 1.00 0.00 N ATOM 0 H LYS A 13 4.139 -3.177 5.179 1.00 0.00 H new ATOM 0 HA LYS A 13 5.971 -5.478 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.154 -4.143 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.418 -4.079 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.494 -5.970 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.144 -6.857 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.310 -6.745 7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.123 -5.112 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.542 -7.201 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.282 -7.333 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.345 -5.923 11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.363 -5.014 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.677 -4.887 10.668 1.00 0.00 H new ATOM 175 N TRP A 14 4.376 -7.221 4.584 1.00 0.00 N ATOM 176 CA TRP A 14 3.466 -8.316 4.294 1.00 0.00 C ATOM 177 C TRP A 14 4.090 -9.604 4.834 1.00 0.00 C ATOM 178 O TRP A 14 5.308 -9.769 4.802 1.00 0.00 O ATOM 179 CB TRP A 14 3.151 -8.385 2.799 1.00 0.00 C ATOM 180 CG TRP A 14 2.163 -9.491 2.421 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.989 -9.781 2.998 1.00 0.00 C ATOM 182 CD2 TRP A 14 2.313 -10.449 1.352 1.00 0.00 C ATOM 183 NE1 TRP A 14 0.374 -10.851 2.382 1.00 0.00 N ATOM 184 CE2 TRP A 14 1.204 -11.271 1.349 1.00 0.00 C ATOM 185 CE3 TRP A 14 3.351 -10.616 0.419 1.00 0.00 C ATOM 186 CZ2 TRP A 14 1.027 -12.316 0.435 1.00 0.00 C ATOM 187 CZ3 TRP A 14 3.158 -11.665 -0.488 1.00 0.00 C ATOM 188 CH2 TRP A 14 2.048 -12.501 -0.505 1.00 0.00 C ATOM 0 H TRP A 14 5.338 -7.376 4.283 1.00 0.00 H new ATOM 0 HA TRP A 14 2.506 -8.161 4.787 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.746 -7.425 2.479 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.080 -8.538 2.249 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.576 -9.244 3.840 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -0.525 -11.259 2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.228 -9.985 0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.150 -12.946 0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.927 -11.837 -1.227 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.973 -13.289 -1.239 1.00 0.00 H new ATOM 199 N GLY A 15 3.225 -10.485 5.317 1.00 0.00 N ATOM 200 CA GLY A 15 3.676 -11.754 5.863 1.00 0.00 C ATOM 201 C GLY A 15 4.845 -11.551 6.828 1.00 0.00 C ATOM 202 O GLY A 15 4.661 -11.044 7.933 1.00 0.00 O ATOM 0 H GLY A 15 2.215 -10.345 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.852 -12.244 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.980 -12.415 5.052 1.00 0.00 H new ATOM 206 N GLY A 16 6.022 -11.958 6.375 1.00 0.00 N ATOM 207 CA GLY A 16 7.221 -11.827 7.185 1.00 0.00 C ATOM 208 C GLY A 16 8.288 -11.007 6.457 1.00 0.00 C ATOM 209 O GLY A 16 9.430 -10.928 6.907 1.00 0.00 O ATOM 0 H GLY A 16 6.171 -12.378 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.973 -11.349 8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.615 -12.816 7.420 1.00 0.00 H new ATOM 213 N GLN A 17 7.877 -10.417 5.344 1.00 0.00 N ATOM 214 CA GLN A 17 8.784 -9.605 4.550 1.00 0.00 C ATOM 215 C GLN A 17 8.168 -8.230 4.282 1.00 0.00 C ATOM 216 O GLN A 17 6.964 -8.042 4.447 1.00 0.00 O ATOM 217 CB GLN A 17 9.144 -10.309 3.240 1.00 0.00 C ATOM 218 CG GLN A 17 10.397 -11.171 3.408 1.00 0.00 C ATOM 219 CD GLN A 17 11.664 -10.356 3.137 1.00 0.00 C ATOM 220 OE1 GLN A 17 11.632 -9.288 2.547 1.00 0.00 O ATOM 221 NE2 GLN A 17 12.777 -10.917 3.599 1.00 0.00 N ATOM 0 H GLN A 17 6.929 -10.485 4.973 1.00 0.00 H new ATOM 0 HA GLN A 17 9.706 -9.465 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.310 -10.932 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.310 -9.568 2.458 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.431 -11.577 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.353 -12.020 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.733 -11.813 4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.675 -10.451 3.468 1.00 0.00 H new ATOM 230 N GLU A 18 9.023 -7.304 3.873 1.00 0.00 N ATOM 231 CA GLU A 18 8.579 -5.952 3.580 1.00 0.00 C ATOM 232 C GLU A 18 8.961 -5.565 2.150 1.00 0.00 C ATOM 233 O GLU A 18 9.940 -6.074 1.606 1.00 0.00 O ATOM 234 CB GLU A 18 9.153 -4.956 4.590 1.00 0.00 C ATOM 235 CG GLU A 18 8.831 -5.381 6.024 1.00 0.00 C ATOM 236 CD GLU A 18 9.459 -4.420 7.035 1.00 0.00 C ATOM 237 OE1 GLU A 18 9.168 -3.209 6.923 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.215 -4.917 7.897 1.00 0.00 O ATOM 0 H GLU A 18 10.021 -7.464 3.738 1.00 0.00 H new ATOM 0 HA GLU A 18 7.493 -5.921 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.233 -4.885 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.743 -3.964 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.751 -5.408 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.201 -6.391 6.199 1.00 0.00 H new ATOM 245 N TYR A 19 8.168 -4.669 1.582 1.00 0.00 N ATOM 246 CA TYR A 19 8.410 -4.208 0.225 1.00 0.00 C ATOM 247 C TYR A 19 8.609 -2.691 0.189 1.00 0.00 C ATOM 248 O TYR A 19 7.835 -1.946 0.787 1.00 0.00 O ATOM 249 CB TYR A 19 7.155 -4.565 -0.572 1.00 0.00 C ATOM 250 CG TYR A 19 6.881 -6.068 -0.662 1.00 0.00 C ATOM 251 CD1 TYR A 19 6.463 -6.761 0.455 1.00 0.00 C ATOM 252 CD2 TYR A 19 7.053 -6.730 -1.861 1.00 0.00 C ATOM 253 CE1 TYR A 19 6.205 -8.175 0.371 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.795 -8.144 -1.946 1.00 0.00 C ATOM 255 CZ TYR A 19 6.384 -8.797 -0.825 1.00 0.00 C ATOM 256 OH TYR A 19 6.141 -10.133 -0.905 1.00 0.00 O ATOM 0 H TYR A 19 7.357 -4.250 2.037 1.00 0.00 H new ATOM 0 HA TYR A 19 9.309 -4.670 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.295 -4.076 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.251 -4.163 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.329 -6.243 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.381 -6.187 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.877 -8.729 1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.925 -8.674 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 19 5.184 -10.300 -0.773 1.00 0.00 H new ATOM 266 N SER A 20 9.651 -2.280 -0.519 1.00 0.00 N ATOM 267 CA SER A 20 9.961 -0.866 -0.641 1.00 0.00 C ATOM 268 C SER A 20 9.492 -0.343 -2.001 1.00 0.00 C ATOM 269 O SER A 20 9.898 -0.859 -3.041 1.00 0.00 O ATOM 270 CB SER A 20 11.460 -0.613 -0.463 1.00 0.00 C ATOM 271 OG SER A 20 12.204 -0.982 -1.621 1.00 0.00 O ATOM 0 H SER A 20 10.291 -2.901 -1.014 1.00 0.00 H new ATOM 0 HA SER A 20 9.434 -0.331 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.626 0.442 -0.246 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.823 -1.176 0.396 1.00 0.00 H new ATOM 0 HG SER A 20 11.598 -1.065 -2.387 1.00 0.00 H new ATOM 277 N VAL A 21 8.645 0.674 -1.948 1.00 0.00 N ATOM 278 CA VAL A 21 8.117 1.272 -3.162 1.00 0.00 C ATOM 279 C VAL A 21 8.731 2.661 -3.350 1.00 0.00 C ATOM 280 O VAL A 21 8.634 3.511 -2.466 1.00 0.00 O ATOM 281 CB VAL A 21 6.588 1.296 -3.112 1.00 0.00 C ATOM 282 CG1 VAL A 21 6.017 2.180 -4.222 1.00 0.00 C ATOM 283 CG2 VAL A 21 6.015 -0.120 -3.188 1.00 0.00 C ATOM 0 H VAL A 21 8.311 1.099 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 21 8.391 0.675 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 21 6.291 1.726 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.929 2.180 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.386 3.198 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.329 1.793 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.927 -0.075 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.327 -0.589 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.383 -0.707 -2.346 1.00 0.00 H new ATOM 293 N THR A 22 9.349 2.848 -4.507 1.00 0.00 N ATOM 294 CA THR A 22 9.979 4.119 -4.822 1.00 0.00 C ATOM 295 C THR A 22 9.906 4.393 -6.326 1.00 0.00 C ATOM 296 O THR A 22 10.827 4.970 -6.901 1.00 0.00 O ATOM 297 CB THR A 22 11.409 4.086 -4.279 1.00 0.00 C ATOM 298 OG1 THR A 22 11.983 2.931 -4.884 1.00 0.00 O ATOM 299 CG2 THR A 22 11.459 3.786 -2.780 1.00 0.00 C ATOM 0 H THR A 22 9.427 2.141 -5.238 1.00 0.00 H new ATOM 0 HA THR A 22 9.455 4.948 -4.347 1.00 0.00 H new ATOM 0 HB THR A 22 11.894 5.043 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.912 2.834 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.496 3.774 -2.446 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.911 4.556 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.005 2.814 -2.588 1.00 0.00 H new ATOM 307 N THR A 23 8.801 3.965 -6.919 1.00 0.00 N ATOM 308 CA THR A 23 8.596 4.156 -8.345 1.00 0.00 C ATOM 309 C THR A 23 7.537 5.232 -8.592 1.00 0.00 C ATOM 310 O THR A 23 7.742 6.136 -9.400 1.00 0.00 O ATOM 311 CB THR A 23 8.238 2.800 -8.957 1.00 0.00 C ATOM 312 OG1 THR A 23 9.474 2.090 -8.974 1.00 0.00 O ATOM 313 CG2 THR A 23 7.851 2.908 -10.433 1.00 0.00 C ATOM 0 H THR A 23 8.039 3.487 -6.438 1.00 0.00 H new ATOM 0 HA THR A 23 9.502 4.519 -8.830 1.00 0.00 H new ATOM 0 HB THR A 23 7.415 2.355 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.334 1.198 -9.354 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.606 1.918 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.985 3.561 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.686 3.321 -10.999 1.00 0.00 H new ATOM 321 N LEU A 24 6.427 5.099 -7.880 1.00 0.00 N ATOM 322 CA LEU A 24 5.335 6.049 -8.012 1.00 0.00 C ATOM 323 C LEU A 24 5.635 7.285 -7.162 1.00 0.00 C ATOM 324 O LEU A 24 6.504 7.249 -6.292 1.00 0.00 O ATOM 325 CB LEU A 24 4.000 5.381 -7.676 1.00 0.00 C ATOM 326 CG LEU A 24 4.036 4.335 -6.560 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.755 4.379 -5.725 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.303 2.938 -7.125 1.00 0.00 C ATOM 0 H LEU A 24 6.261 4.348 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 24 5.246 6.386 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.288 6.157 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.616 4.907 -8.579 1.00 0.00 H new ATOM 0 HG LEU A 24 4.864 4.577 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.807 3.626 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.648 5.366 -5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.896 4.177 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.323 2.214 -6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.513 2.672 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.263 2.931 -7.640 1.00 0.00 H new ATOM 340 N SER A 25 4.899 8.350 -7.444 1.00 0.00 N ATOM 341 CA SER A 25 5.076 9.596 -6.716 1.00 0.00 C ATOM 342 C SER A 25 3.713 10.174 -6.330 1.00 0.00 C ATOM 343 O SER A 25 2.676 9.601 -6.660 1.00 0.00 O ATOM 344 CB SER A 25 5.867 10.610 -7.544 1.00 0.00 C ATOM 345 OG SER A 25 5.207 10.935 -8.764 1.00 0.00 O ATOM 0 H SER A 25 4.179 8.376 -8.166 1.00 0.00 H new ATOM 0 HA SER A 25 5.644 9.385 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.016 11.518 -6.959 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.856 10.207 -7.763 1.00 0.00 H new ATOM 0 HG SER A 25 5.743 11.586 -9.263 1.00 0.00 H new ATOM 351 N GLU A 26 3.759 11.301 -5.635 1.00 0.00 N ATOM 352 CA GLU A 26 2.541 11.963 -5.200 1.00 0.00 C ATOM 353 C GLU A 26 1.520 11.996 -6.339 1.00 0.00 C ATOM 354 O GLU A 26 0.336 11.741 -6.124 1.00 0.00 O ATOM 355 CB GLU A 26 2.837 13.374 -4.687 1.00 0.00 C ATOM 356 CG GLU A 26 3.827 13.337 -3.522 1.00 0.00 C ATOM 357 CD GLU A 26 4.821 14.497 -3.611 1.00 0.00 C ATOM 358 OE1 GLU A 26 5.631 14.479 -4.563 1.00 0.00 O ATOM 359 OE2 GLU A 26 4.749 15.375 -2.724 1.00 0.00 O ATOM 0 H GLU A 26 4.621 11.773 -5.362 1.00 0.00 H new ATOM 0 HA GLU A 26 2.116 11.394 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.244 13.981 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.910 13.850 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.285 13.389 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.366 12.390 -3.528 1.00 0.00 H new ATOM 366 N ASP A 27 2.015 12.313 -7.526 1.00 0.00 N ATOM 367 CA ASP A 27 1.160 12.383 -8.699 1.00 0.00 C ATOM 368 C ASP A 27 0.286 11.130 -8.763 1.00 0.00 C ATOM 369 O ASP A 27 -0.938 11.216 -8.668 1.00 0.00 O ATOM 370 CB ASP A 27 1.991 12.446 -9.983 1.00 0.00 C ATOM 371 CG ASP A 27 1.196 12.259 -11.277 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.193 12.987 -11.437 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.610 11.392 -12.077 1.00 0.00 O ATOM 0 H ASP A 27 2.997 12.524 -7.701 1.00 0.00 H new ATOM 0 HA ASP A 27 0.551 13.283 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.499 13.410 -10.022 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.765 11.680 -9.935 1.00 0.00 H new ATOM 378 N ASP A 28 0.947 9.993 -8.924 1.00 0.00 N ATOM 379 CA ASP A 28 0.245 8.723 -9.002 1.00 0.00 C ATOM 380 C ASP A 28 -0.796 8.652 -7.883 1.00 0.00 C ATOM 381 O ASP A 28 -0.785 9.472 -6.966 1.00 0.00 O ATOM 382 CB ASP A 28 1.210 7.549 -8.826 1.00 0.00 C ATOM 383 CG ASP A 28 2.195 7.343 -9.977 1.00 0.00 C ATOM 384 OD1 ASP A 28 2.997 8.274 -10.211 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.125 6.260 -10.598 1.00 0.00 O ATOM 0 H ASP A 28 1.962 9.925 -9.003 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.227 8.658 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.776 7.698 -7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.628 6.636 -8.698 1.00 0.00 H new ATOM 390 N THR A 29 -1.671 7.663 -7.995 1.00 0.00 N ATOM 391 CA THR A 29 -2.717 7.474 -7.004 1.00 0.00 C ATOM 392 C THR A 29 -2.554 6.121 -6.308 1.00 0.00 C ATOM 393 O THR A 29 -1.789 5.272 -6.764 1.00 0.00 O ATOM 394 CB THR A 29 -4.067 7.638 -7.704 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.986 6.760 -8.824 1.00 0.00 O ATOM 396 CG2 THR A 29 -4.239 9.024 -8.329 1.00 0.00 C ATOM 0 H THR A 29 -1.677 6.984 -8.757 1.00 0.00 H new ATOM 0 HA THR A 29 -2.652 8.221 -6.213 1.00 0.00 H new ATOM 0 HB THR A 29 -4.870 7.461 -6.989 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.822 6.802 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.214 9.087 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.170 9.785 -7.552 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.456 9.189 -9.069 1.00 0.00 H new ATOM 404 N VAL A 30 -3.285 5.962 -5.214 1.00 0.00 N ATOM 405 CA VAL A 30 -3.231 4.727 -4.451 1.00 0.00 C ATOM 406 C VAL A 30 -3.306 3.537 -5.409 1.00 0.00 C ATOM 407 O VAL A 30 -2.544 2.580 -5.277 1.00 0.00 O ATOM 408 CB VAL A 30 -4.338 4.716 -3.395 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.362 3.385 -2.640 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.186 5.892 -2.428 1.00 0.00 C ATOM 0 H VAL A 30 -3.918 6.668 -4.838 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.286 4.651 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.293 4.827 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.158 3.403 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.541 2.571 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.404 3.231 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.986 5.860 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.222 5.826 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.242 6.829 -2.983 1.00 0.00 H new ATOM 420 N LEU A 31 -4.232 3.635 -6.352 1.00 0.00 N ATOM 421 CA LEU A 31 -4.416 2.578 -7.331 1.00 0.00 C ATOM 422 C LEU A 31 -3.051 2.135 -7.861 1.00 0.00 C ATOM 423 O LEU A 31 -2.709 0.955 -7.797 1.00 0.00 O ATOM 424 CB LEU A 31 -5.385 3.026 -8.427 1.00 0.00 C ATOM 425 CG LEU A 31 -5.956 1.917 -9.314 1.00 0.00 C ATOM 426 CD1 LEU A 31 -6.961 1.060 -8.541 1.00 0.00 C ATOM 427 CD2 LEU A 31 -6.560 2.495 -10.595 1.00 0.00 C ATOM 0 H LEU A 31 -4.862 4.430 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.876 1.706 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.216 3.551 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.873 3.746 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.137 1.262 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.352 0.280 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.466 0.602 -7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.782 1.687 -8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.958 1.686 -11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.363 3.186 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.789 3.026 -11.153 1.00 0.00 H new ATOM 439 N ASP A 32 -2.308 3.105 -8.374 1.00 0.00 N ATOM 440 CA ASP A 32 -0.988 2.830 -8.915 1.00 0.00 C ATOM 441 C ASP A 32 -0.234 1.901 -7.961 1.00 0.00 C ATOM 442 O ASP A 32 0.393 0.937 -8.395 1.00 0.00 O ATOM 443 CB ASP A 32 -0.174 4.117 -9.063 1.00 0.00 C ATOM 444 CG ASP A 32 0.276 4.438 -10.490 1.00 0.00 C ATOM 445 OD1 ASP A 32 1.272 3.820 -10.923 1.00 0.00 O ATOM 446 OD2 ASP A 32 -0.387 5.293 -11.115 1.00 0.00 O ATOM 0 H ASP A 32 -2.595 4.082 -8.426 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.115 2.369 -9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.769 4.950 -8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.709 4.046 -8.427 1.00 0.00 H new ATOM 451 N LEU A 33 -0.320 2.225 -6.679 1.00 0.00 N ATOM 452 CA LEU A 33 0.346 1.432 -5.660 1.00 0.00 C ATOM 453 C LEU A 33 -0.317 0.056 -5.577 1.00 0.00 C ATOM 454 O LEU A 33 0.357 -0.969 -5.671 1.00 0.00 O ATOM 455 CB LEU A 33 0.372 2.184 -4.328 1.00 0.00 C ATOM 456 CG LEU A 33 1.339 1.644 -3.272 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.779 1.661 -3.787 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.193 2.407 -1.954 1.00 0.00 C ATOM 0 H LEU A 33 -0.841 3.026 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 33 1.390 1.268 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.626 3.225 -4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.634 2.176 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 33 1.081 0.604 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.445 1.272 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.854 1.039 -4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.066 2.684 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.891 2.004 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.409 3.463 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.174 2.299 -1.582 1.00 0.00 H new ATOM 470 N LYS A 34 -1.630 0.077 -5.400 1.00 0.00 N ATOM 471 CA LYS A 34 -2.392 -1.156 -5.303 1.00 0.00 C ATOM 472 C LYS A 34 -2.015 -2.077 -6.466 1.00 0.00 C ATOM 473 O LYS A 34 -1.545 -3.193 -6.252 1.00 0.00 O ATOM 474 CB LYS A 34 -3.890 -0.856 -5.217 1.00 0.00 C ATOM 475 CG LYS A 34 -4.242 -0.202 -3.879 1.00 0.00 C ATOM 476 CD LYS A 34 -5.724 0.175 -3.826 1.00 0.00 C ATOM 477 CE LYS A 34 -6.371 -0.326 -2.533 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.827 -0.509 -2.720 1.00 0.00 N ATOM 0 H LYS A 34 -2.185 0.929 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.143 -1.685 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.180 -0.197 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.457 -1.779 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.008 -0.886 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.631 0.689 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.830 1.258 -3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.242 -0.251 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.915 -1.270 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.188 0.386 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.251 -0.849 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.260 0.399 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.995 -1.205 -3.474 1.00 0.00 H new ATOM 492 N GLN A 35 -2.236 -1.574 -7.672 1.00 0.00 N ATOM 493 CA GLN A 35 -1.925 -2.337 -8.869 1.00 0.00 C ATOM 494 C GLN A 35 -0.495 -2.874 -8.800 1.00 0.00 C ATOM 495 O GLN A 35 -0.242 -4.024 -9.156 1.00 0.00 O ATOM 496 CB GLN A 35 -2.133 -1.491 -10.127 1.00 0.00 C ATOM 497 CG GLN A 35 -3.610 -1.455 -10.526 1.00 0.00 C ATOM 498 CD GLN A 35 -3.766 -1.390 -12.046 1.00 0.00 C ATOM 499 OE1 GLN A 35 -3.147 -2.131 -12.792 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.626 -0.465 -12.462 1.00 0.00 N ATOM 0 H GLN A 35 -2.627 -0.648 -7.846 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.608 -3.185 -8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.776 -0.477 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.541 -1.899 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.116 -2.341 -10.143 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.093 -0.590 -10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.111 0.122 -11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.801 -0.343 -13.459 1.00 0.00 H new ATOM 509 N PHE A 36 0.404 -2.017 -8.339 1.00 0.00 N ATOM 510 CA PHE A 36 1.803 -2.391 -8.218 1.00 0.00 C ATOM 511 C PHE A 36 1.995 -3.450 -7.131 1.00 0.00 C ATOM 512 O PHE A 36 2.849 -4.326 -7.257 1.00 0.00 O ATOM 513 CB PHE A 36 2.571 -1.128 -7.825 1.00 0.00 C ATOM 514 CG PHE A 36 4.089 -1.251 -7.976 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.622 -1.698 -9.145 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.905 -0.912 -6.942 1.00 0.00 C ATOM 517 CE1 PHE A 36 6.030 -1.811 -9.285 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.313 -1.026 -7.083 1.00 0.00 C ATOM 519 CZ PHE A 36 6.846 -1.473 -8.251 1.00 0.00 C ATOM 0 H PHE A 36 0.191 -1.064 -8.045 1.00 0.00 H new ATOM 0 HA PHE A 36 2.160 -2.807 -9.160 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.221 -0.297 -8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.338 -0.881 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.974 -1.967 -9.966 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.482 -0.556 -6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.453 -2.166 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.961 -0.757 -6.262 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.917 -1.560 -8.358 1.00 0.00 H new ATOM 529 N LEU A 37 1.187 -3.335 -6.087 1.00 0.00 N ATOM 530 CA LEU A 37 1.257 -4.272 -4.979 1.00 0.00 C ATOM 531 C LEU A 37 0.742 -5.637 -5.437 1.00 0.00 C ATOM 532 O LEU A 37 0.941 -6.641 -4.755 1.00 0.00 O ATOM 533 CB LEU A 37 0.522 -3.714 -3.759 1.00 0.00 C ATOM 534 CG LEU A 37 1.152 -2.486 -3.099 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.076 -1.539 -2.563 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.147 -2.898 -2.012 1.00 0.00 C ATOM 0 H LEU A 37 0.480 -2.607 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 37 2.291 -4.412 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.495 -3.460 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.447 -4.504 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 37 1.712 -1.940 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.551 -0.674 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.559 -1.207 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.532 -2.060 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.581 -2.007 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.631 -3.479 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.939 -3.502 -2.454 1.00 0.00 H new ATOM 548 N LYS A 38 0.088 -5.631 -6.590 1.00 0.00 N ATOM 549 CA LYS A 38 -0.458 -6.857 -7.148 1.00 0.00 C ATOM 550 C LYS A 38 0.667 -7.656 -7.809 1.00 0.00 C ATOM 551 O LYS A 38 0.592 -8.880 -7.901 1.00 0.00 O ATOM 552 CB LYS A 38 -1.625 -6.545 -8.086 1.00 0.00 C ATOM 553 CG LYS A 38 -2.304 -7.831 -8.562 1.00 0.00 C ATOM 554 CD LYS A 38 -3.643 -7.526 -9.237 1.00 0.00 C ATOM 555 CE LYS A 38 -3.662 -8.045 -10.676 1.00 0.00 C ATOM 556 NZ LYS A 38 -3.484 -9.514 -10.700 1.00 0.00 N ATOM 0 H LYS A 38 -0.076 -4.796 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.873 -7.484 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.351 -5.915 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.264 -5.980 -8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.651 -8.354 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.463 -8.498 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.453 -7.985 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.820 -6.451 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.606 -7.779 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.869 -7.567 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.934 -9.904 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.469 -9.741 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.924 -9.931 -9.855 1.00 0.00 H new ATOM 570 N THR A 39 1.683 -6.931 -8.254 1.00 0.00 N ATOM 571 CA THR A 39 2.821 -7.557 -8.904 1.00 0.00 C ATOM 572 C THR A 39 3.971 -7.735 -7.911 1.00 0.00 C ATOM 573 O THR A 39 4.845 -8.578 -8.112 1.00 0.00 O ATOM 574 CB THR A 39 3.195 -6.710 -10.122 1.00 0.00 C ATOM 575 OG1 THR A 39 4.063 -7.551 -10.877 1.00 0.00 O ATOM 576 CG2 THR A 39 4.068 -5.508 -9.754 1.00 0.00 C ATOM 0 H THR A 39 1.741 -5.916 -8.177 1.00 0.00 H new ATOM 0 HA THR A 39 2.575 -8.561 -9.251 1.00 0.00 H new ATOM 0 HB THR A 39 2.287 -6.362 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.352 -7.080 -11.686 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.305 -4.941 -10.654 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.531 -4.869 -9.053 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.991 -5.857 -9.292 1.00 0.00 H new ATOM 584 N LEU A 40 3.935 -6.927 -6.862 1.00 0.00 N ATOM 585 CA LEU A 40 4.964 -6.984 -5.837 1.00 0.00 C ATOM 586 C LEU A 40 4.782 -8.257 -5.009 1.00 0.00 C ATOM 587 O LEU A 40 5.751 -8.960 -4.724 1.00 0.00 O ATOM 588 CB LEU A 40 4.960 -5.702 -5.003 1.00 0.00 C ATOM 589 CG LEU A 40 5.470 -4.442 -5.706 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.006 -3.180 -4.975 1.00 0.00 C ATOM 591 CD2 LEU A 40 6.990 -4.483 -5.870 1.00 0.00 C ATOM 0 H LEU A 40 3.209 -6.229 -6.699 1.00 0.00 H new ATOM 0 HA LEU A 40 5.953 -7.038 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.941 -5.517 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.568 -5.869 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 40 5.039 -4.411 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.382 -2.299 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.917 -3.151 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.388 -3.189 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.326 -3.576 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.460 -4.550 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.268 -5.352 -6.466 1.00 0.00 H new ATOM 603 N THR A 41 3.535 -8.516 -4.646 1.00 0.00 N ATOM 604 CA THR A 41 3.214 -9.693 -3.856 1.00 0.00 C ATOM 605 C THR A 41 2.495 -10.733 -4.717 1.00 0.00 C ATOM 606 O THR A 41 3.029 -11.813 -4.969 1.00 0.00 O ATOM 607 CB THR A 41 2.399 -9.240 -2.643 1.00 0.00 C ATOM 608 OG1 THR A 41 1.227 -8.660 -3.209 1.00 0.00 O ATOM 609 CG2 THR A 41 3.062 -8.084 -1.891 1.00 0.00 C ATOM 0 H THR A 41 2.734 -7.931 -4.884 1.00 0.00 H new ATOM 0 HA THR A 41 4.117 -10.185 -3.494 1.00 0.00 H new ATOM 0 HB THR A 41 2.260 -10.082 -1.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.403 -7.723 -3.437 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.443 -7.801 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.045 -8.396 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.171 -7.230 -2.560 1.00 0.00 H new ATOM 617 N GLY A 42 1.294 -10.372 -5.146 1.00 0.00 N ATOM 618 CA GLY A 42 0.496 -11.261 -5.973 1.00 0.00 C ATOM 619 C GLY A 42 -0.898 -11.462 -5.376 1.00 0.00 C ATOM 620 O GLY A 42 -1.433 -12.569 -5.397 1.00 0.00 O ATOM 0 H GLY A 42 0.854 -9.476 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.409 -10.848 -6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.998 -12.224 -6.067 1.00 0.00 H new ATOM 624 N VAL A 43 -1.447 -10.373 -4.858 1.00 0.00 N ATOM 625 CA VAL A 43 -2.769 -10.415 -4.256 1.00 0.00 C ATOM 626 C VAL A 43 -3.621 -9.280 -4.827 1.00 0.00 C ATOM 627 O VAL A 43 -3.170 -8.138 -4.902 1.00 0.00 O ATOM 628 CB VAL A 43 -2.652 -10.367 -2.731 1.00 0.00 C ATOM 629 CG1 VAL A 43 -4.034 -10.339 -2.076 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.819 -11.539 -2.208 1.00 0.00 C ATOM 0 H VAL A 43 -1.000 -9.456 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.270 -11.352 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.136 -9.445 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.922 -10.305 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.578 -9.457 -2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.587 -11.235 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.751 -11.481 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.293 -12.478 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.818 -11.494 -2.637 1.00 0.00 H new ATOM 640 N LEU A 44 -4.838 -9.633 -5.214 1.00 0.00 N ATOM 641 CA LEU A 44 -5.757 -8.657 -5.775 1.00 0.00 C ATOM 642 C LEU A 44 -5.699 -7.372 -4.947 1.00 0.00 C ATOM 643 O LEU A 44 -5.399 -7.411 -3.755 1.00 0.00 O ATOM 644 CB LEU A 44 -7.163 -9.251 -5.892 1.00 0.00 C ATOM 645 CG LEU A 44 -7.310 -10.447 -6.834 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.767 -10.904 -6.916 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.729 -10.131 -8.215 1.00 0.00 C ATOM 0 H LEU A 44 -5.209 -10.581 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.461 -8.395 -6.791 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.491 -9.554 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.841 -8.466 -6.226 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.735 -11.278 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.844 -11.755 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.113 -11.196 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.384 -10.087 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.846 -10.997 -8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.256 -9.280 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.670 -9.890 -8.118 1.00 0.00 H new ATOM 659 N PRO A 45 -5.998 -6.234 -5.629 1.00 0.00 N ATOM 660 CA PRO A 45 -5.983 -4.940 -4.969 1.00 0.00 C ATOM 661 C PRO A 45 -7.211 -4.767 -4.073 1.00 0.00 C ATOM 662 O PRO A 45 -7.202 -3.950 -3.154 1.00 0.00 O ATOM 663 CB PRO A 45 -5.923 -3.924 -6.098 1.00 0.00 C ATOM 664 CG PRO A 45 -6.374 -4.662 -7.348 1.00 0.00 C ATOM 665 CD PRO A 45 -6.358 -6.150 -7.042 1.00 0.00 C ATOM 0 HA PRO A 45 -5.133 -4.820 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.572 -3.073 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.913 -3.533 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.375 -4.343 -7.639 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.712 -4.437 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.331 -6.604 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.635 -6.675 -7.667 1.00 0.00 H new ATOM 673 N GLU A 46 -8.237 -5.549 -4.373 1.00 0.00 N ATOM 674 CA GLU A 46 -9.470 -5.492 -3.606 1.00 0.00 C ATOM 675 C GLU A 46 -9.325 -6.290 -2.308 1.00 0.00 C ATOM 676 O GLU A 46 -9.873 -5.907 -1.276 1.00 0.00 O ATOM 677 CB GLU A 46 -10.654 -5.999 -4.432 1.00 0.00 C ATOM 678 CG GLU A 46 -10.564 -7.512 -4.648 1.00 0.00 C ATOM 679 CD GLU A 46 -11.574 -7.976 -5.699 1.00 0.00 C ATOM 680 OE1 GLU A 46 -11.251 -7.836 -6.898 1.00 0.00 O ATOM 681 OE2 GLU A 46 -12.647 -8.462 -5.279 1.00 0.00 O ATOM 0 H GLU A 46 -8.240 -6.225 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.668 -4.451 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.587 -5.755 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.674 -5.491 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.556 -7.779 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.750 -8.029 -3.707 1.00 0.00 H new ATOM 688 N ARG A 47 -8.584 -7.384 -2.404 1.00 0.00 N ATOM 689 CA ARG A 47 -8.360 -8.239 -1.250 1.00 0.00 C ATOM 690 C ARG A 47 -7.266 -7.650 -0.357 1.00 0.00 C ATOM 691 O ARG A 47 -7.313 -7.793 0.863 1.00 0.00 O ATOM 692 CB ARG A 47 -7.953 -9.650 -1.681 1.00 0.00 C ATOM 693 CG ARG A 47 -9.060 -10.313 -2.504 1.00 0.00 C ATOM 694 CD ARG A 47 -9.818 -11.348 -1.670 1.00 0.00 C ATOM 695 NE ARG A 47 -11.089 -10.770 -1.180 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.207 -10.066 -0.046 1.00 0.00 C ATOM 697 NH1 ARG A 47 -10.131 -9.848 0.722 1.00 0.00 N ATOM 698 NH2 ARG A 47 -12.401 -9.580 0.320 1.00 0.00 N ATOM 0 H ARG A 47 -8.131 -7.698 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.295 -8.297 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.036 -9.604 -2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.738 -10.255 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.753 -9.554 -2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.627 -10.794 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.020 -12.234 -2.271 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.205 -11.667 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.928 -10.917 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.222 -10.218 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.221 -9.312 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.220 -9.746 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.491 -9.044 1.183 1.00 0.00 H new ATOM 712 N GLN A 48 -6.307 -7.002 -1.001 1.00 0.00 N ATOM 713 CA GLN A 48 -5.203 -6.391 -0.281 1.00 0.00 C ATOM 714 C GLN A 48 -5.730 -5.381 0.741 1.00 0.00 C ATOM 715 O GLN A 48 -6.376 -4.401 0.374 1.00 0.00 O ATOM 716 CB GLN A 48 -4.217 -5.730 -1.246 1.00 0.00 C ATOM 717 CG GLN A 48 -3.172 -6.734 -1.735 1.00 0.00 C ATOM 718 CD GLN A 48 -2.028 -6.025 -2.463 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.946 -5.831 -1.933 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.326 -5.650 -3.703 1.00 0.00 N ATOM 0 H GLN A 48 -6.272 -6.887 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.667 -7.175 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.757 -5.318 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.721 -4.896 -0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.777 -7.294 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.641 -7.456 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.251 -5.844 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.629 -5.169 -4.272 1.00 0.00 H new ATOM 729 N LYS A 49 -5.435 -5.656 2.003 1.00 0.00 N ATOM 730 CA LYS A 49 -5.871 -4.784 3.081 1.00 0.00 C ATOM 731 C LYS A 49 -4.688 -3.938 3.556 1.00 0.00 C ATOM 732 O LYS A 49 -3.716 -4.468 4.093 1.00 0.00 O ATOM 733 CB LYS A 49 -6.531 -5.598 4.195 1.00 0.00 C ATOM 734 CG LYS A 49 -7.938 -5.077 4.494 1.00 0.00 C ATOM 735 CD LYS A 49 -7.900 -3.972 5.552 1.00 0.00 C ATOM 736 CE LYS A 49 -7.206 -2.720 5.012 1.00 0.00 C ATOM 737 NZ LYS A 49 -7.822 -1.500 5.581 1.00 0.00 N ATOM 0 H LYS A 49 -4.899 -6.470 2.303 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.636 -4.093 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.582 -6.647 3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.921 -5.548 5.097 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.390 -4.694 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.567 -5.897 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.915 -3.725 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.375 -4.330 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.145 -2.749 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.278 -2.698 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.107 -0.748 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.600 -1.185 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.193 -1.709 6.530 1.00 0.00 H new ATOM 751 N LEU A 50 -4.809 -2.636 3.342 1.00 0.00 N ATOM 752 CA LEU A 50 -3.762 -1.711 3.743 1.00 0.00 C ATOM 753 C LEU A 50 -4.094 -1.137 5.121 1.00 0.00 C ATOM 754 O LEU A 50 -4.976 -0.288 5.249 1.00 0.00 O ATOM 755 CB LEU A 50 -3.551 -0.644 2.667 1.00 0.00 C ATOM 756 CG LEU A 50 -3.280 -1.161 1.253 1.00 0.00 C ATOM 757 CD1 LEU A 50 -2.708 -0.055 0.364 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.377 -2.396 1.284 1.00 0.00 C ATOM 0 H LEU A 50 -5.616 -2.200 2.896 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.809 -2.231 3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.435 -0.008 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.715 -0.013 2.968 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.230 -1.467 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.525 -0.450 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.420 0.768 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.771 0.306 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.200 -2.743 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.426 -2.140 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.861 -3.186 1.858 1.00 0.00 H new ATOM 770 N LEU A 51 -3.371 -1.624 6.119 1.00 0.00 N ATOM 771 CA LEU A 51 -3.578 -1.170 7.484 1.00 0.00 C ATOM 772 C LEU A 51 -2.506 -0.138 7.842 1.00 0.00 C ATOM 773 O LEU A 51 -1.320 -0.460 7.889 1.00 0.00 O ATOM 774 CB LEU A 51 -3.629 -2.361 8.443 1.00 0.00 C ATOM 775 CG LEU A 51 -4.818 -2.397 9.405 1.00 0.00 C ATOM 776 CD1 LEU A 51 -6.123 -2.672 8.654 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.582 -3.405 10.531 1.00 0.00 C ATOM 0 H LEU A 51 -2.641 -2.328 6.010 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.544 -0.673 7.578 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.637 -3.277 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.711 -2.368 9.031 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.913 -1.414 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.952 -2.692 9.361 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.292 -1.885 7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.055 -3.634 8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.442 -3.411 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.446 -4.400 10.106 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.689 -3.124 11.090 1.00 0.00 H new ATOM 789 N GLY A 52 -2.963 1.082 8.084 1.00 0.00 N ATOM 790 CA GLY A 52 -2.058 2.163 8.436 1.00 0.00 C ATOM 791 C GLY A 52 -2.730 3.525 8.247 1.00 0.00 C ATOM 792 O GLY A 52 -2.758 4.341 9.166 1.00 0.00 O ATOM 0 H GLY A 52 -3.947 1.346 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.739 2.052 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.162 2.107 7.819 1.00 0.00 H new ATOM 796 N LEU A 53 -3.256 3.727 7.048 1.00 0.00 N ATOM 797 CA LEU A 53 -3.927 4.975 6.726 1.00 0.00 C ATOM 798 C LEU A 53 -5.378 4.685 6.337 1.00 0.00 C ATOM 799 O LEU A 53 -5.634 3.936 5.396 1.00 0.00 O ATOM 800 CB LEU A 53 -3.146 5.743 5.656 1.00 0.00 C ATOM 801 CG LEU A 53 -2.757 4.946 4.409 1.00 0.00 C ATOM 802 CD1 LEU A 53 -3.157 5.693 3.135 1.00 0.00 C ATOM 803 CD2 LEU A 53 -1.267 4.596 4.425 1.00 0.00 C ATOM 0 H LEU A 53 -3.231 3.047 6.288 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.955 5.627 7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.743 6.600 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.236 6.136 6.110 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.309 4.006 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.869 5.105 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.236 5.849 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.651 6.658 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.017 4.030 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.678 5.513 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.044 3.996 5.307 1.00 0.00 H new ATOM 815 N LYS A 54 -6.289 5.292 7.083 1.00 0.00 N ATOM 816 CA LYS A 54 -7.708 5.107 6.829 1.00 0.00 C ATOM 817 C LYS A 54 -8.388 6.475 6.742 1.00 0.00 C ATOM 818 O LYS A 54 -7.771 7.499 7.033 1.00 0.00 O ATOM 819 CB LYS A 54 -8.324 4.180 7.878 1.00 0.00 C ATOM 820 CG LYS A 54 -7.902 2.728 7.642 1.00 0.00 C ATOM 821 CD LYS A 54 -7.623 2.016 8.967 1.00 0.00 C ATOM 822 CE LYS A 54 -6.222 2.349 9.484 1.00 0.00 C ATOM 823 NZ LYS A 54 -6.303 3.052 10.784 1.00 0.00 N ATOM 0 H LYS A 54 -6.072 5.912 7.863 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.862 4.612 5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.014 4.495 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.411 4.257 7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.687 2.201 7.100 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.010 2.702 7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.367 2.312 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.718 0.939 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.642 1.433 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.699 2.972 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.344 3.271 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.839 3.936 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.783 2.444 11.478 1.00 0.00 H new ATOM 837 N VAL A 55 -9.650 6.448 6.340 1.00 0.00 N ATOM 838 CA VAL A 55 -10.421 7.673 6.211 1.00 0.00 C ATOM 839 C VAL A 55 -11.798 7.473 6.846 1.00 0.00 C ATOM 840 O VAL A 55 -12.688 6.885 6.234 1.00 0.00 O ATOM 841 CB VAL A 55 -10.495 8.093 4.742 1.00 0.00 C ATOM 842 CG1 VAL A 55 -11.486 9.242 4.549 1.00 0.00 C ATOM 843 CG2 VAL A 55 -9.111 8.467 4.208 1.00 0.00 C ATOM 0 H VAL A 55 -10.158 5.597 6.099 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.933 8.489 6.744 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.856 7.240 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.519 9.521 3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.478 8.925 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.168 10.100 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.192 8.762 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.709 9.297 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.444 7.609 4.293 1.00 0.00 H new ATOM 853 N LYS A 56 -11.931 7.975 8.065 1.00 0.00 N ATOM 854 CA LYS A 56 -13.185 7.859 8.790 1.00 0.00 C ATOM 855 C LYS A 56 -13.762 6.457 8.581 1.00 0.00 C ATOM 856 O LYS A 56 -14.870 6.307 8.069 1.00 0.00 O ATOM 857 CB LYS A 56 -14.142 8.983 8.388 1.00 0.00 C ATOM 858 CG LYS A 56 -13.661 10.332 8.927 1.00 0.00 C ATOM 859 CD LYS A 56 -14.833 11.159 9.460 1.00 0.00 C ATOM 860 CE LYS A 56 -14.404 12.600 9.740 1.00 0.00 C ATOM 861 NZ LYS A 56 -15.371 13.552 9.150 1.00 0.00 N ATOM 0 H LYS A 56 -11.191 8.463 8.569 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.019 7.980 9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.220 9.028 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.140 8.770 8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.933 10.171 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.152 10.883 8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.647 11.152 8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.217 10.706 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.335 12.763 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.411 12.777 9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.065 14.526 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.417 13.407 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.312 13.393 9.564 1.00 0.00 H new ATOM 875 N GLY A 57 -12.984 5.465 8.989 1.00 0.00 N ATOM 876 CA GLY A 57 -13.403 4.081 8.854 1.00 0.00 C ATOM 877 C GLY A 57 -12.649 3.388 7.717 1.00 0.00 C ATOM 878 O GLY A 57 -11.721 2.618 7.961 1.00 0.00 O ATOM 0 H GLY A 57 -12.065 5.593 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.225 3.551 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.475 4.039 8.663 1.00 0.00 H new ATOM 882 N LYS A 58 -13.076 3.687 6.499 1.00 0.00 N ATOM 883 CA LYS A 58 -12.452 3.103 5.323 1.00 0.00 C ATOM 884 C LYS A 58 -11.352 4.038 4.817 1.00 0.00 C ATOM 885 O LYS A 58 -11.416 5.248 5.027 1.00 0.00 O ATOM 886 CB LYS A 58 -13.508 2.766 4.268 1.00 0.00 C ATOM 887 CG LYS A 58 -14.133 4.039 3.693 1.00 0.00 C ATOM 888 CD LYS A 58 -13.405 4.480 2.421 1.00 0.00 C ATOM 889 CE LYS A 58 -14.389 5.040 1.392 1.00 0.00 C ATOM 890 NZ LYS A 58 -14.990 3.944 0.600 1.00 0.00 N ATOM 0 H LYS A 58 -13.846 4.326 6.301 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.974 2.156 5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.053 2.185 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.285 2.143 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.186 3.864 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.092 4.836 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.661 5.237 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.868 3.633 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.173 5.603 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.875 5.736 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.655 4.341 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.240 3.424 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.498 3.295 1.235 1.00 0.00 H new ATOM 904 N PRO A 59 -10.344 3.425 4.141 1.00 0.00 N ATOM 905 CA PRO A 59 -9.231 4.190 3.602 1.00 0.00 C ATOM 906 C PRO A 59 -9.651 4.959 2.348 1.00 0.00 C ATOM 907 O PRO A 59 -10.650 4.623 1.715 1.00 0.00 O ATOM 908 CB PRO A 59 -8.143 3.164 3.333 1.00 0.00 C ATOM 909 CG PRO A 59 -8.842 1.815 3.292 1.00 0.00 C ATOM 910 CD PRO A 59 -10.236 1.994 3.872 1.00 0.00 C ATOM 0 HA PRO A 59 -8.875 4.957 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.637 3.370 2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -7.383 3.187 4.114 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.899 1.446 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -8.282 1.077 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.002 1.664 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.364 1.409 4.783 1.00 0.00 H new ATOM 918 N ALA A 60 -8.867 5.977 2.027 1.00 0.00 N ATOM 919 CA ALA A 60 -9.144 6.797 0.860 1.00 0.00 C ATOM 920 C ALA A 60 -9.387 5.891 -0.348 1.00 0.00 C ATOM 921 O ALA A 60 -9.069 4.703 -0.312 1.00 0.00 O ATOM 922 CB ALA A 60 -7.987 7.773 0.634 1.00 0.00 C ATOM 0 H ALA A 60 -8.039 6.253 2.555 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.045 7.391 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.195 8.388 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.875 8.413 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.065 7.214 0.474 1.00 0.00 H new ATOM 928 N GLU A 61 -9.949 6.486 -1.390 1.00 0.00 N ATOM 929 CA GLU A 61 -10.238 5.747 -2.608 1.00 0.00 C ATOM 930 C GLU A 61 -8.938 5.366 -3.319 1.00 0.00 C ATOM 931 O GLU A 61 -7.863 5.833 -2.947 1.00 0.00 O ATOM 932 CB GLU A 61 -11.153 6.552 -3.533 1.00 0.00 C ATOM 933 CG GLU A 61 -12.540 6.731 -2.912 1.00 0.00 C ATOM 934 CD GLU A 61 -13.613 6.042 -3.758 1.00 0.00 C ATOM 935 OE1 GLU A 61 -14.028 6.660 -4.762 1.00 0.00 O ATOM 936 OE2 GLU A 61 -13.993 4.913 -3.381 1.00 0.00 O ATOM 0 H GLU A 61 -10.212 7.471 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.763 4.831 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.710 7.528 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.243 6.044 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.547 6.318 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.768 7.793 -2.823 1.00 0.00 H new ATOM 943 N ASN A 62 -9.080 4.520 -4.329 1.00 0.00 N ATOM 944 CA ASN A 62 -7.930 4.070 -5.095 1.00 0.00 C ATOM 945 C ASN A 62 -7.507 5.173 -6.067 1.00 0.00 C ATOM 946 O ASN A 62 -6.328 5.300 -6.394 1.00 0.00 O ATOM 947 CB ASN A 62 -8.268 2.823 -5.914 1.00 0.00 C ATOM 948 CG ASN A 62 -9.447 3.085 -6.852 1.00 0.00 C ATOM 949 OD1 ASN A 62 -9.295 3.569 -7.962 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.628 2.740 -6.347 1.00 0.00 N ATOM 0 H ASN A 62 -9.974 4.134 -4.635 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.129 3.835 -4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.397 2.518 -6.495 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.509 1.998 -5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.477 2.876 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.685 2.340 -5.411 1.00 0.00 H new ATOM 957 N ASP A 63 -8.493 5.944 -6.502 1.00 0.00 N ATOM 958 CA ASP A 63 -8.238 7.033 -7.431 1.00 0.00 C ATOM 959 C ASP A 63 -8.003 8.323 -6.644 1.00 0.00 C ATOM 960 O ASP A 63 -8.499 9.384 -7.021 1.00 0.00 O ATOM 961 CB ASP A 63 -9.433 7.256 -8.359 1.00 0.00 C ATOM 962 CG ASP A 63 -9.514 6.300 -9.551 1.00 0.00 C ATOM 963 OD1 ASP A 63 -8.556 6.313 -10.354 1.00 0.00 O ATOM 964 OD2 ASP A 63 -10.531 5.578 -9.632 1.00 0.00 O ATOM 0 H ASP A 63 -9.470 5.836 -6.229 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.363 6.771 -8.026 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.349 7.163 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.396 8.279 -8.735 1.00 0.00 H new ATOM 969 N VAL A 64 -7.246 8.192 -5.565 1.00 0.00 N ATOM 970 CA VAL A 64 -6.939 9.334 -4.722 1.00 0.00 C ATOM 971 C VAL A 64 -5.443 9.644 -4.815 1.00 0.00 C ATOM 972 O VAL A 64 -4.626 8.738 -4.968 1.00 0.00 O ATOM 973 CB VAL A 64 -7.406 9.068 -3.289 1.00 0.00 C ATOM 974 CG1 VAL A 64 -6.513 9.792 -2.278 1.00 0.00 C ATOM 975 CG2 VAL A 64 -8.872 9.465 -3.108 1.00 0.00 C ATOM 0 H VAL A 64 -6.836 7.311 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.476 10.218 -5.066 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.323 7.997 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.866 9.586 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.487 9.440 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.549 10.865 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.179 9.266 -2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.991 10.527 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.493 8.885 -3.791 1.00 0.00 H new ATOM 985 N LYS A 65 -5.131 10.928 -4.719 1.00 0.00 N ATOM 986 CA LYS A 65 -3.748 11.369 -4.791 1.00 0.00 C ATOM 987 C LYS A 65 -3.042 11.036 -3.475 1.00 0.00 C ATOM 988 O LYS A 65 -3.434 11.522 -2.416 1.00 0.00 O ATOM 989 CB LYS A 65 -3.677 12.850 -5.169 1.00 0.00 C ATOM 990 CG LYS A 65 -3.398 13.021 -6.664 1.00 0.00 C ATOM 991 CD LYS A 65 -2.014 13.631 -6.897 1.00 0.00 C ATOM 992 CE LYS A 65 -2.085 14.783 -7.901 1.00 0.00 C ATOM 993 NZ LYS A 65 -2.645 15.994 -7.261 1.00 0.00 N ATOM 0 H LYS A 65 -5.812 11.677 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.219 10.836 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.616 13.340 -4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.893 13.340 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.462 12.054 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.161 13.660 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.608 13.992 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.332 12.865 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.089 14.997 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.703 14.495 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.686 16.766 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.603 15.791 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.039 16.277 -6.464 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.013 10.209 -3.586 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.249 9.805 -2.418 1.00 0.00 C ATOM 1009 C LEU A 66 -0.651 11.045 -1.751 1.00 0.00 C ATOM 1010 O LEU A 66 -0.305 11.014 -0.571 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.208 8.749 -2.797 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.759 7.432 -3.347 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.056 6.957 -4.552 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.832 6.368 -2.250 1.00 0.00 C ATOM 0 H LEU A 66 -1.691 9.808 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.899 9.329 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.462 9.179 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.394 8.528 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.777 7.607 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.357 6.019 -4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.013 7.709 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.093 6.804 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.227 5.442 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.166 6.189 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.487 6.714 -1.451 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.548 12.108 -2.535 1.00 0.00 N ATOM 1027 CA GLY A 67 0.001 13.357 -2.035 1.00 0.00 C ATOM 1028 C GLY A 67 -1.061 14.162 -1.283 1.00 0.00 C ATOM 1029 O GLY A 67 -0.763 14.802 -0.277 1.00 0.00 O ATOM 0 H GLY A 67 -0.836 12.130 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.841 13.149 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.388 13.947 -2.866 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.279 14.102 -1.801 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.387 14.817 -1.192 1.00 0.00 C ATOM 1035 C ALA A 68 -3.534 14.375 0.265 1.00 0.00 C ATOM 1036 O ALA A 68 -4.035 15.128 1.099 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.660 14.576 -2.006 1.00 0.00 C ATOM 0 H ALA A 68 -2.523 13.569 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.198 15.890 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.491 15.113 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.514 14.934 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.883 13.509 -2.025 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.089 13.155 0.528 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.165 12.603 1.870 1.00 0.00 C ATOM 1045 C LEU A 69 -2.040 13.191 2.723 1.00 0.00 C ATOM 1046 O LEU A 69 -2.192 13.350 3.933 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.165 11.074 1.821 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.536 10.406 1.692 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.535 11.012 2.679 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.043 10.470 0.250 1.00 0.00 C ATOM 0 H LEU A 69 -2.674 12.533 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.105 12.884 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.548 10.757 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.685 10.701 2.726 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.429 9.352 1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.501 10.520 2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.172 10.871 3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.645 12.078 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.019 9.988 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.131 11.512 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.341 9.956 -0.406 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.935 13.499 2.058 1.00 0.00 N ATOM 1063 CA LYS A 70 0.215 14.066 2.741 1.00 0.00 C ATOM 1064 C LYS A 70 0.618 13.151 3.899 1.00 0.00 C ATOM 1065 O LYS A 70 0.631 13.575 5.054 1.00 0.00 O ATOM 1066 CB LYS A 70 -0.071 15.507 3.166 1.00 0.00 C ATOM 1067 CG LYS A 70 0.505 16.502 2.157 1.00 0.00 C ATOM 1068 CD LYS A 70 2.027 16.589 2.280 1.00 0.00 C ATOM 1069 CE LYS A 70 2.556 17.877 1.646 1.00 0.00 C ATOM 1070 NZ LYS A 70 2.706 18.935 2.670 1.00 0.00 N ATOM 0 H LYS A 70 -0.813 13.366 1.054 1.00 0.00 H new ATOM 0 HA LYS A 70 1.069 14.121 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.147 15.657 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.359 15.692 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.235 16.197 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.067 17.486 2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.313 16.553 3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.484 15.726 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.517 17.686 1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.873 18.212 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.066 19.802 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.782 19.128 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.375 18.619 3.400 1.00 0.00 H new ATOM 1084 N LEU A 71 0.938 11.914 3.550 1.00 0.00 N ATOM 1085 CA LEU A 71 1.340 10.936 4.546 1.00 0.00 C ATOM 1086 C LEU A 71 2.814 11.148 4.897 1.00 0.00 C ATOM 1087 O LEU A 71 3.465 12.035 4.347 1.00 0.00 O ATOM 1088 CB LEU A 71 1.021 9.519 4.066 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.440 9.247 3.702 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.544 8.491 2.376 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -1.162 8.517 4.836 1.00 0.00 C ATOM 0 H LEU A 71 0.927 11.566 2.591 1.00 0.00 H new ATOM 0 HA LEU A 71 0.770 11.073 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.638 9.305 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.317 8.817 4.846 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.941 10.205 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.593 8.311 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.091 9.085 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.022 7.538 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.198 8.336 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.667 7.565 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.135 9.129 5.738 1.00 0.00 H new ATOM 1103 N LYS A 72 3.297 10.320 5.812 1.00 0.00 N ATOM 1104 CA LYS A 72 4.682 10.406 6.243 1.00 0.00 C ATOM 1105 C LYS A 72 5.556 9.570 5.306 1.00 0.00 C ATOM 1106 O LYS A 72 5.067 8.654 4.647 1.00 0.00 O ATOM 1107 CB LYS A 72 4.810 10.014 7.716 1.00 0.00 C ATOM 1108 CG LYS A 72 4.067 11.005 8.614 1.00 0.00 C ATOM 1109 CD LYS A 72 4.730 12.384 8.576 1.00 0.00 C ATOM 1110 CE LYS A 72 3.862 13.389 7.816 1.00 0.00 C ATOM 1111 NZ LYS A 72 4.431 14.751 7.927 1.00 0.00 N ATOM 0 H LYS A 72 2.754 9.586 6.267 1.00 0.00 H new ATOM 0 HA LYS A 72 5.038 11.434 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.409 9.011 7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.863 9.982 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.030 11.087 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.053 10.633 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.898 12.739 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.707 12.309 8.099 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.795 13.101 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.848 13.378 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.831 15.422 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.473 15.029 8.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.390 14.760 7.525 1.00 0.00 H new ATOM 1125 N PRO A 73 6.869 9.924 5.275 1.00 0.00 N ATOM 1126 CA PRO A 73 7.816 9.217 4.430 1.00 0.00 C ATOM 1127 C PRO A 73 8.163 7.849 5.021 1.00 0.00 C ATOM 1128 O PRO A 73 7.972 7.618 6.214 1.00 0.00 O ATOM 1129 CB PRO A 73 9.018 10.142 4.327 1.00 0.00 C ATOM 1130 CG PRO A 73 8.894 11.117 5.486 1.00 0.00 C ATOM 1131 CD PRO A 73 7.484 11.004 6.042 1.00 0.00 C ATOM 0 HA PRO A 73 7.414 8.996 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.950 9.580 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.025 10.669 3.373 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.628 10.887 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.092 12.135 5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.496 10.776 7.108 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.935 11.938 5.922 1.00 0.00 H new ATOM 1139 N ASN A 74 8.667 6.978 4.159 1.00 0.00 N ATOM 1140 CA ASN A 74 9.042 5.639 4.581 1.00 0.00 C ATOM 1141 C ASN A 74 7.992 5.103 5.556 1.00 0.00 C ATOM 1142 O ASN A 74 8.319 4.357 6.477 1.00 0.00 O ATOM 1143 CB ASN A 74 10.393 5.647 5.298 1.00 0.00 C ATOM 1144 CG ASN A 74 10.549 6.900 6.161 1.00 0.00 C ATOM 1145 OD1 ASN A 74 10.861 7.979 5.684 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.316 6.699 7.455 1.00 0.00 N ATOM 0 H ASN A 74 8.824 7.173 3.170 1.00 0.00 H new ATOM 0 HA ASN A 74 9.109 5.011 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.483 4.758 5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.198 5.604 4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.395 7.474 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.059 5.770 7.789 1.00 0.00 H new ATOM 1153 N THR A 75 6.751 5.505 5.319 1.00 0.00 N ATOM 1154 CA THR A 75 5.651 5.074 6.165 1.00 0.00 C ATOM 1155 C THR A 75 5.418 3.570 6.011 1.00 0.00 C ATOM 1156 O THR A 75 4.854 3.124 5.013 1.00 0.00 O ATOM 1157 CB THR A 75 4.425 5.918 5.812 1.00 0.00 C ATOM 1158 OG1 THR A 75 4.492 7.020 6.713 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.111 5.222 6.173 1.00 0.00 C ATOM 0 H THR A 75 6.484 6.124 4.554 1.00 0.00 H new ATOM 0 HA THR A 75 5.878 5.230 7.220 1.00 0.00 H new ATOM 0 HB THR A 75 4.435 6.144 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 75 3.629 7.125 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.273 5.864 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.037 4.280 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.086 5.026 7.245 1.00 0.00 H new ATOM 1167 N LYS A 76 5.863 2.828 7.015 1.00 0.00 N ATOM 1168 CA LYS A 76 5.710 1.383 7.003 1.00 0.00 C ATOM 1169 C LYS A 76 4.239 1.029 7.231 1.00 0.00 C ATOM 1170 O LYS A 76 3.764 1.035 8.366 1.00 0.00 O ATOM 1171 CB LYS A 76 6.661 0.736 8.011 1.00 0.00 C ATOM 1172 CG LYS A 76 8.118 1.073 7.686 1.00 0.00 C ATOM 1173 CD LYS A 76 8.972 1.099 8.955 1.00 0.00 C ATOM 1174 CE LYS A 76 9.584 -0.275 9.232 1.00 0.00 C ATOM 1175 NZ LYS A 76 11.004 -0.140 9.627 1.00 0.00 N ATOM 0 H LYS A 76 6.329 3.201 7.842 1.00 0.00 H new ATOM 0 HA LYS A 76 5.989 0.978 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.420 1.081 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.524 -0.345 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.518 0.337 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.169 2.042 7.190 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.765 1.839 8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.360 1.406 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.026 -0.775 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.506 -0.900 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.404 -1.082 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.536 0.318 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.071 0.439 10.488 1.00 0.00 H new ATOM 1189 N ILE A 77 3.559 0.730 6.134 1.00 0.00 N ATOM 1190 CA ILE A 77 2.152 0.374 6.200 1.00 0.00 C ATOM 1191 C ILE A 77 2.020 -1.144 6.338 1.00 0.00 C ATOM 1192 O ILE A 77 2.993 -1.874 6.157 1.00 0.00 O ATOM 1193 CB ILE A 77 1.397 0.950 5.000 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.740 0.188 3.719 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.654 2.452 4.860 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.714 -0.913 3.443 1.00 0.00 C ATOM 0 H ILE A 77 3.956 0.727 5.195 1.00 0.00 H new ATOM 0 HA ILE A 77 1.688 0.816 7.082 1.00 0.00 H new ATOM 0 HB ILE A 77 0.329 0.821 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.771 0.880 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.734 -0.251 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.106 2.836 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.319 2.964 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.720 2.627 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.982 -1.439 2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.703 -1.617 4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.275 -0.469 3.330 1.00 0.00 H new ATOM 1208 N MET A 78 0.808 -1.574 6.658 1.00 0.00 N ATOM 1209 CA MET A 78 0.537 -2.992 6.823 1.00 0.00 C ATOM 1210 C MET A 78 -0.298 -3.529 5.659 1.00 0.00 C ATOM 1211 O MET A 78 -1.167 -2.831 5.139 1.00 0.00 O ATOM 1212 CB MET A 78 -0.213 -3.219 8.137 1.00 0.00 C ATOM 1213 CG MET A 78 0.276 -4.490 8.835 1.00 0.00 C ATOM 1214 SD MET A 78 0.896 -4.093 10.462 1.00 0.00 S ATOM 1215 CE MET A 78 2.289 -5.206 10.542 1.00 0.00 C ATOM 0 H MET A 78 0.003 -0.966 6.807 1.00 0.00 H new ATOM 0 HA MET A 78 1.488 -3.525 6.840 1.00 0.00 H new ATOM 0 HB2 MET A 78 -0.070 -2.361 8.794 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.282 -3.296 7.941 1.00 0.00 H new ATOM 0 HG2 MET A 78 -0.540 -5.209 8.913 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.060 -4.961 8.243 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.597 -5.329 11.580 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.005 -6.174 10.130 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.117 -4.795 9.965 1.00 0.00 H new ATOM 1225 N MET A 79 -0.006 -4.766 5.284 1.00 0.00 N ATOM 1226 CA MET A 79 -0.719 -5.405 4.191 1.00 0.00 C ATOM 1227 C MET A 79 -1.278 -6.763 4.621 1.00 0.00 C ATOM 1228 O MET A 79 -0.530 -7.635 5.060 1.00 0.00 O ATOM 1229 CB MET A 79 0.229 -5.595 3.005 1.00 0.00 C ATOM 1230 CG MET A 79 -0.553 -5.810 1.708 1.00 0.00 C ATOM 1231 SD MET A 79 0.520 -6.489 0.454 1.00 0.00 S ATOM 1232 CE MET A 79 0.037 -8.206 0.530 1.00 0.00 C ATOM 0 H MET A 79 0.715 -5.343 5.718 1.00 0.00 H new ATOM 0 HA MET A 79 -1.553 -4.765 3.902 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.872 -4.721 2.905 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.879 -6.450 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.390 -6.485 1.886 1.00 0.00 H new ATOM 0 HG3 MET A 79 -0.973 -4.864 1.366 1.00 0.00 H new ATOM 0 HE1 MET A 79 0.903 -8.837 0.329 1.00 0.00 H new ATOM 0 HE2 MET A 79 -0.353 -8.431 1.523 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.734 -8.400 -0.215 1.00 0.00 H new ATOM 1242 N MET A 80 -2.588 -6.899 4.480 1.00 0.00 N ATOM 1243 CA MET A 80 -3.256 -8.136 4.848 1.00 0.00 C ATOM 1244 C MET A 80 -4.027 -8.717 3.661 1.00 0.00 C ATOM 1245 O MET A 80 -4.909 -8.061 3.108 1.00 0.00 O ATOM 1246 CB MET A 80 -4.223 -7.870 6.004 1.00 0.00 C ATOM 1247 CG MET A 80 -3.509 -7.985 7.353 1.00 0.00 C ATOM 1248 SD MET A 80 -4.472 -8.991 8.469 1.00 0.00 S ATOM 1249 CE MET A 80 -5.896 -7.937 8.687 1.00 0.00 C ATOM 0 H MET A 80 -3.205 -6.173 4.116 1.00 0.00 H new ATOM 0 HA MET A 80 -2.499 -8.858 5.154 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.654 -6.874 5.900 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.048 -8.581 5.963 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.521 -8.424 7.215 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.360 -6.994 7.781 1.00 0.00 H new ATOM 0 HE1 MET A 80 -6.528 -8.338 9.479 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.568 -6.933 8.958 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.463 -7.895 7.757 1.00 0.00 H new ATOM 1259 N GLY A 81 -3.667 -9.941 3.305 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.314 -10.618 2.194 1.00 0.00 C ATOM 1261 C GLY A 81 -3.403 -11.695 1.602 1.00 0.00 C ATOM 1262 O GLY A 81 -2.182 -11.544 1.592 1.00 0.00 O ATOM 0 H GLY A 81 -2.935 -10.482 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.246 -11.071 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.574 -9.893 1.423 1.00 0.00 H new ATOM 1266 N THR A 82 -4.031 -12.759 1.124 1.00 0.00 N ATOM 1267 CA THR A 82 -3.292 -13.861 0.532 1.00 0.00 C ATOM 1268 C THR A 82 -3.866 -14.211 -0.843 1.00 0.00 C ATOM 1269 O THR A 82 -5.065 -14.066 -1.074 1.00 0.00 O ATOM 1270 CB THR A 82 -3.319 -15.031 1.517 1.00 0.00 C ATOM 1271 OG1 THR A 82 -2.905 -14.455 2.752 1.00 0.00 O ATOM 1272 CG2 THR A 82 -2.243 -16.076 1.214 1.00 0.00 C ATOM 0 H THR A 82 -5.044 -12.881 1.135 1.00 0.00 H new ATOM 0 HA THR A 82 -2.251 -13.590 0.355 1.00 0.00 H new ATOM 0 HB THR A 82 -4.301 -15.503 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.896 -15.145 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.306 -16.885 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.397 -16.477 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.258 -15.612 1.271 1.00 0.00 H new ATOM 1280 N ARG A 83 -2.982 -14.665 -1.719 1.00 0.00 N ATOM 1281 CA ARG A 83 -3.386 -15.036 -3.065 1.00 0.00 C ATOM 1282 C ARG A 83 -4.742 -15.743 -3.036 1.00 0.00 C ATOM 1283 O ARG A 83 -5.123 -16.322 -2.020 1.00 0.00 O ATOM 1284 CB ARG A 83 -2.352 -15.958 -3.715 1.00 0.00 C ATOM 1285 CG ARG A 83 -2.314 -17.319 -3.016 1.00 0.00 C ATOM 1286 CD ARG A 83 -1.389 -17.284 -1.798 1.00 0.00 C ATOM 1287 NE ARG A 83 -0.425 -18.405 -1.862 1.00 0.00 N ATOM 1288 CZ ARG A 83 0.270 -18.859 -0.810 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.113 -18.290 0.393 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.123 -19.881 -0.962 1.00 0.00 N ATOM 0 H ARG A 83 -1.988 -14.784 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.462 -14.121 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.592 -16.093 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.367 -15.494 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.320 -17.600 -2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.972 -18.082 -3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.854 -16.335 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.977 -17.351 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.281 -18.861 -2.763 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.536 -17.511 0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.642 -18.636 1.194 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.243 -20.313 -1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.652 -20.227 -0.162 1.00 0.00 H new ATOM 1304 N GLU A 84 -5.434 -15.673 -4.164 1.00 0.00 N ATOM 1305 CA GLU A 84 -6.741 -16.299 -4.280 1.00 0.00 C ATOM 1306 C GLU A 84 -7.698 -15.730 -3.231 1.00 0.00 C ATOM 1307 O GLU A 84 -7.395 -14.724 -2.590 1.00 0.00 O ATOM 1308 CB GLU A 84 -6.633 -17.820 -4.156 1.00 0.00 C ATOM 1309 CG GLU A 84 -6.836 -18.497 -5.513 1.00 0.00 C ATOM 1310 CD GLU A 84 -7.165 -19.981 -5.342 1.00 0.00 C ATOM 1311 OE1 GLU A 84 -6.296 -20.696 -4.798 1.00 0.00 O ATOM 1312 OE2 GLU A 84 -8.278 -20.367 -5.759 1.00 0.00 O ATOM 0 H GLU A 84 -5.115 -15.193 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.143 -16.075 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.655 -18.087 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.378 -18.185 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.643 -18.002 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.935 -18.388 -6.116 1.00 0.00 H new ATOM 1319 N SER A 85 -8.833 -16.398 -3.088 1.00 0.00 N ATOM 1320 CA SER A 85 -9.836 -15.971 -2.127 1.00 0.00 C ATOM 1321 C SER A 85 -10.761 -17.140 -1.782 1.00 0.00 C ATOM 1322 O SER A 85 -11.374 -17.733 -2.668 1.00 0.00 O ATOM 1323 CB SER A 85 -10.649 -14.792 -2.666 1.00 0.00 C ATOM 1324 OG SER A 85 -11.201 -14.000 -1.618 1.00 0.00 O ATOM 0 H SER A 85 -9.080 -17.232 -3.621 1.00 0.00 H new ATOM 0 HA SER A 85 -9.325 -15.641 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.012 -14.169 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.453 -15.166 -3.300 1.00 0.00 H new ATOM 0 HG SER A 85 -11.788 -13.315 -2.000 1.00 0.00 H new ATOM 1330 N GLY A 86 -10.832 -17.436 -0.493 1.00 0.00 N ATOM 1331 CA GLY A 86 -11.672 -18.523 -0.020 1.00 0.00 C ATOM 1332 C GLY A 86 -11.033 -19.229 1.178 1.00 0.00 C ATOM 1333 O GLY A 86 -10.383 -18.590 2.004 1.00 0.00 O ATOM 0 H GLY A 86 -10.321 -16.942 0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.651 -18.135 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.833 -19.240 -0.825 1.00 0.00 H new ATOM 1337 N PRO A 87 -11.246 -20.571 1.236 1.00 0.00 N ATOM 1338 CA PRO A 87 -10.698 -21.370 2.319 1.00 0.00 C ATOM 1339 C PRO A 87 -9.194 -21.581 2.137 1.00 0.00 C ATOM 1340 O PRO A 87 -8.764 -22.630 1.661 1.00 0.00 O ATOM 1341 CB PRO A 87 -11.488 -22.668 2.288 1.00 0.00 C ATOM 1342 CG PRO A 87 -12.124 -22.736 0.910 1.00 0.00 C ATOM 1343 CD PRO A 87 -12.011 -21.360 0.274 1.00 0.00 C ATOM 0 HA PRO A 87 -10.793 -20.885 3.290 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.837 -23.525 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -12.247 -22.682 3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.622 -23.483 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -13.169 -23.036 0.987 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -11.505 -21.409 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -12.994 -20.924 0.096 1.00 0.00 H new ATOM 1351 N SER A 88 -8.435 -20.567 2.527 1.00 0.00 N ATOM 1352 CA SER A 88 -6.988 -20.629 2.414 1.00 0.00 C ATOM 1353 C SER A 88 -6.465 -21.907 3.074 1.00 0.00 C ATOM 1354 O SER A 88 -7.167 -22.532 3.866 1.00 0.00 O ATOM 1355 CB SER A 88 -6.333 -19.399 3.046 1.00 0.00 C ATOM 1356 OG SER A 88 -6.073 -18.379 2.085 1.00 0.00 O ATOM 0 H SER A 88 -8.795 -19.698 2.922 1.00 0.00 H new ATOM 0 HA SER A 88 -6.728 -20.642 1.355 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.982 -19.004 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.399 -19.692 3.525 1.00 0.00 H new ATOM 0 HG SER A 88 -5.657 -17.611 2.528 1.00 0.00 H new ATOM 1362 N SER A 89 -5.236 -22.256 2.722 1.00 0.00 N ATOM 1363 CA SER A 89 -4.611 -23.448 3.270 1.00 0.00 C ATOM 1364 C SER A 89 -4.379 -23.273 4.772 1.00 0.00 C ATOM 1365 O SER A 89 -3.779 -22.289 5.200 1.00 0.00 O ATOM 1366 CB SER A 89 -3.291 -23.753 2.560 1.00 0.00 C ATOM 1367 OG SER A 89 -2.951 -25.135 2.636 1.00 0.00 O ATOM 0 H SER A 89 -4.657 -21.734 2.064 1.00 0.00 H new ATOM 0 HA SER A 89 -5.282 -24.292 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.364 -23.455 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.494 -23.158 3.006 1.00 0.00 H new ATOM 0 HG SER A 89 -2.103 -25.289 2.170 1.00 0.00 H new ATOM 1373 N GLY A 90 -4.866 -24.244 5.531 1.00 0.00 N ATOM 1374 CA GLY A 90 -4.719 -24.210 6.976 1.00 0.00 C ATOM 1375 C GLY A 90 -3.249 -24.059 7.374 1.00 0.00 C ATOM 1376 O GLY A 90 -2.771 -24.752 8.270 1.00 0.00 O ATOM 0 H GLY A 90 -5.363 -25.059 5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.297 -23.381 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.124 -25.125 7.408 1.00 0.00 H new TER 1380 GLY A 90