USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 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 117 THR OG1 : rot 180:sc= -0.84 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.82 X(o=-2.7,f=-2.5!) USER MOD Set 2.1: A 113 ASN : amide:sc= 1.08 K(o=2,f=-1.3) USER MOD Set 2.2: A1129 DA2 OXT : rot 176:sc= 0.951 USER MOD Set 3.1: A 80 MET CE :methyl 153:sc= -0.333 (180deg=-1.26!) USER MOD Set 3.2: A 89 CYS SG : rot 180:sc= 0.0566 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 171:sc= 1.21 USER MOD Single : A 68 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.2!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.013) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.05) USER MOD Single : A 79 CYS SG : rot -17:sc= -0.666! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.0906 X(o=0.091,f=-0.045) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.07 K(o=1.1,f=-0.21) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.658 USER MOD Single : A 111 TYR OH : rot -121:sc= 0.164 USER MOD Single : A 123 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.756) USER MOD Single : A1129 DA2 NH2 :NH3+ -91:sc= -0.407 (180deg=-4.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 17.445 -6.185 0.091 1.00 0.00 N ATOM 2 CA ALA A 65 18.864 -6.484 -0.136 1.00 0.00 C ATOM 3 C ALA A 65 19.485 -5.425 -1.028 1.00 0.00 C ATOM 4 O ALA A 65 20.408 -4.731 -0.624 1.00 0.00 O ATOM 5 CB ALA A 65 19.037 -7.871 -0.734 1.00 0.00 C ATOM 0 HA ALA A 65 19.380 -6.472 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.097 -8.069 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.627 -8.615 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 65 18.511 -7.924 -1.687 1.00 0.00 H new ATOM 13 N SER A 66 18.972 -5.302 -2.227 1.00 0.00 N ATOM 14 CA SER A 66 19.394 -4.284 -3.173 1.00 0.00 C ATOM 15 C SER A 66 18.139 -3.569 -3.645 1.00 0.00 C ATOM 16 O SER A 66 18.059 -3.035 -4.751 1.00 0.00 O ATOM 17 CB SER A 66 20.116 -4.952 -4.345 1.00 0.00 C ATOM 18 OG SER A 66 21.240 -5.699 -3.883 1.00 0.00 O ATOM 0 H SER A 66 18.238 -5.913 -2.584 1.00 0.00 H new ATOM 0 HA SER A 66 20.083 -3.572 -2.719 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.428 -5.611 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.444 -4.194 -5.057 1.00 0.00 H new ATOM 0 HG SER A 66 21.688 -6.121 -4.646 1.00 0.00 H new ATOM 24 N THR A 67 17.184 -3.545 -2.757 1.00 0.00 N ATOM 25 CA THR A 67 15.889 -3.036 -3.009 1.00 0.00 C ATOM 26 C THR A 67 15.888 -1.525 -2.820 1.00 0.00 C ATOM 27 O THR A 67 15.925 -1.026 -1.688 1.00 0.00 O ATOM 28 CB THR A 67 14.925 -3.676 -2.010 1.00 0.00 C ATOM 29 OG1 THR A 67 15.350 -5.042 -1.780 1.00 0.00 O ATOM 30 CG2 THR A 67 13.515 -3.678 -2.571 1.00 0.00 C ATOM 0 H THR A 67 17.303 -3.895 -1.807 1.00 0.00 H new ATOM 0 HA THR A 67 15.585 -3.264 -4.031 1.00 0.00 H new ATOM 0 HB THR A 67 14.931 -3.110 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.835 -5.425 -1.040 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.837 -4.136 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.199 -2.653 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.494 -4.246 -3.501 1.00 0.00 H new ATOM 38 N GLN A 68 15.902 -0.815 -3.910 1.00 0.00 N ATOM 39 CA GLN A 68 15.892 0.615 -3.879 1.00 0.00 C ATOM 40 C GLN A 68 14.468 1.077 -4.172 1.00 0.00 C ATOM 41 O GLN A 68 13.988 0.921 -5.303 1.00 0.00 O ATOM 42 CB GLN A 68 16.860 1.154 -4.930 1.00 0.00 C ATOM 43 CG GLN A 68 17.120 2.647 -4.859 1.00 0.00 C ATOM 44 CD GLN A 68 17.783 3.047 -3.561 1.00 0.00 C ATOM 45 OE1 GLN A 68 17.117 3.373 -2.584 1.00 0.00 O ATOM 46 NE2 GLN A 68 19.083 3.004 -3.530 1.00 0.00 N ATOM 0 H GLN A 68 15.921 -1.215 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 68 16.208 0.987 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 68 17.810 0.630 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.468 0.916 -5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.752 2.945 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.178 3.184 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 68 19.604 2.728 -4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 68 19.581 3.246 -2.673 1.00 0.00 H new ATOM 55 N PRO A 69 13.759 1.589 -3.144 1.00 0.00 N ATOM 56 CA PRO A 69 12.366 2.041 -3.257 1.00 0.00 C ATOM 57 C PRO A 69 12.136 2.988 -4.425 1.00 0.00 C ATOM 58 O PRO A 69 12.924 3.921 -4.661 1.00 0.00 O ATOM 59 CB PRO A 69 12.132 2.772 -1.940 1.00 0.00 C ATOM 60 CG PRO A 69 13.019 2.072 -0.991 1.00 0.00 C ATOM 61 CD PRO A 69 14.262 1.753 -1.771 1.00 0.00 C ATOM 0 HA PRO A 69 11.689 1.206 -3.439 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.384 3.830 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.089 2.715 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.246 2.699 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.550 1.165 -0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.997 2.555 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.745 0.846 -1.407 1.00 0.00 H new ATOM 69 N THR A 70 11.072 2.746 -5.151 1.00 0.00 N ATOM 70 CA THR A 70 10.714 3.574 -6.285 1.00 0.00 C ATOM 71 C THR A 70 10.044 4.874 -5.806 1.00 0.00 C ATOM 72 O THR A 70 10.068 5.907 -6.491 1.00 0.00 O ATOM 73 CB THR A 70 9.788 2.802 -7.295 1.00 0.00 C ATOM 74 OG1 THR A 70 9.519 3.609 -8.452 1.00 0.00 O ATOM 75 CG2 THR A 70 8.464 2.398 -6.647 1.00 0.00 C ATOM 0 H THR A 70 10.429 1.973 -4.976 1.00 0.00 H new ATOM 0 HA THR A 70 11.630 3.830 -6.817 1.00 0.00 H new ATOM 0 HB THR A 70 10.320 1.899 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.943 3.113 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.850 1.867 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.660 1.748 -5.794 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.937 3.290 -6.310 1.00 0.00 H new ATOM 83 N HIS A 71 9.503 4.829 -4.613 1.00 0.00 N ATOM 84 CA HIS A 71 8.812 5.943 -4.030 1.00 0.00 C ATOM 85 C HIS A 71 9.188 5.955 -2.559 1.00 0.00 C ATOM 86 O HIS A 71 9.332 4.884 -1.958 1.00 0.00 O ATOM 87 CB HIS A 71 7.293 5.732 -4.217 1.00 0.00 C ATOM 88 CG HIS A 71 6.410 6.903 -3.871 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.405 7.365 -4.688 1.00 0.00 N ATOM 90 CD2 HIS A 71 6.349 7.659 -2.752 1.00 0.00 C ATOM 91 CE1 HIS A 71 4.786 8.356 -4.058 1.00 0.00 C ATOM 92 NE2 HIS A 71 5.320 8.578 -2.872 1.00 0.00 N ATOM 0 H HIS A 71 9.533 4.004 -4.015 1.00 0.00 H new ATOM 0 HA HIS A 71 9.079 6.893 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.110 5.461 -5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.988 4.881 -3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.002 7.561 -1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.952 8.910 -4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.035 9.279 -2.188 1.00 0.00 H new ATOM 100 N SER A 72 9.399 7.116 -2.006 1.00 0.00 N ATOM 101 CA SER A 72 9.750 7.232 -0.620 1.00 0.00 C ATOM 102 C SER A 72 8.487 7.197 0.244 1.00 0.00 C ATOM 103 O SER A 72 7.719 8.158 0.275 1.00 0.00 O ATOM 104 CB SER A 72 10.508 8.537 -0.405 1.00 0.00 C ATOM 105 OG SER A 72 11.614 8.626 -1.302 1.00 0.00 O ATOM 0 H SER A 72 9.333 8.005 -2.501 1.00 0.00 H new ATOM 0 HA SER A 72 10.386 6.396 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.838 9.383 -0.559 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.862 8.594 0.624 1.00 0.00 H new ATOM 0 HG SER A 72 12.089 9.470 -1.153 1.00 0.00 H new ATOM 111 N TRP A 73 8.259 6.082 0.898 1.00 0.00 N ATOM 112 CA TRP A 73 7.103 5.922 1.753 1.00 0.00 C ATOM 113 C TRP A 73 7.498 5.929 3.215 1.00 0.00 C ATOM 114 O TRP A 73 8.624 5.546 3.558 1.00 0.00 O ATOM 115 CB TRP A 73 6.343 4.641 1.412 1.00 0.00 C ATOM 116 CG TRP A 73 5.622 4.711 0.107 1.00 0.00 C ATOM 117 CD1 TRP A 73 5.918 4.045 -1.050 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.485 5.528 -0.178 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.014 4.388 -2.025 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.131 5.301 -1.512 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.727 6.432 0.580 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.057 5.938 -2.110 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.666 7.063 -0.017 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.343 6.814 -1.350 1.00 0.00 C ATOM 0 H TRP A 73 8.866 5.263 0.854 1.00 0.00 H new ATOM 0 HA TRP A 73 6.443 6.771 1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 73 7.044 3.807 1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.625 4.431 2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.738 3.354 -1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.002 4.022 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.974 6.627 1.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 2.795 5.747 -3.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.073 7.762 0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.504 7.330 -1.792 1.00 0.00 H new ATOM 135 N LYS A 74 6.600 6.378 4.068 1.00 0.00 N ATOM 136 CA LYS A 74 6.841 6.392 5.494 1.00 0.00 C ATOM 137 C LYS A 74 5.664 5.749 6.223 1.00 0.00 C ATOM 138 O LYS A 74 4.541 5.732 5.710 1.00 0.00 O ATOM 139 CB LYS A 74 7.066 7.817 6.004 1.00 0.00 C ATOM 140 CG LYS A 74 5.835 8.701 5.986 1.00 0.00 C ATOM 141 CD LYS A 74 6.144 10.101 6.463 1.00 0.00 C ATOM 142 CE LYS A 74 6.742 10.108 7.858 1.00 0.00 C ATOM 143 NZ LYS A 74 6.845 11.476 8.413 1.00 0.00 N ATOM 0 H LYS A 74 5.687 6.741 3.793 1.00 0.00 H new ATOM 0 HA LYS A 74 7.746 5.819 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.445 7.767 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.842 8.286 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.432 8.742 4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.063 8.263 6.619 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.838 10.576 5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.231 10.696 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.128 9.495 8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.732 9.653 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.258 11.434 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.452 12.055 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.898 11.902 8.465 1.00 0.00 H new ATOM 157 N VAL A 75 5.930 5.176 7.373 1.00 0.00 N ATOM 158 CA VAL A 75 4.896 4.563 8.190 1.00 0.00 C ATOM 159 C VAL A 75 3.903 5.627 8.670 1.00 0.00 C ATOM 160 O VAL A 75 4.310 6.714 9.098 1.00 0.00 O ATOM 161 CB VAL A 75 5.505 3.800 9.402 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.415 3.163 10.261 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.477 2.732 8.921 1.00 0.00 C ATOM 0 H VAL A 75 6.867 5.119 7.773 1.00 0.00 H new ATOM 0 HA VAL A 75 4.367 3.836 7.574 1.00 0.00 H new ATOM 0 HB VAL A 75 6.042 4.524 10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.873 2.638 11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.750 3.939 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.843 2.457 9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.895 2.207 9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.951 2.022 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.282 3.201 8.356 1.00 0.00 H new ATOM 173 N GLY A 76 2.624 5.326 8.576 1.00 0.00 N ATOM 174 CA GLY A 76 1.610 6.245 9.027 1.00 0.00 C ATOM 175 C GLY A 76 1.244 7.251 7.977 1.00 0.00 C ATOM 176 O GLY A 76 0.900 8.395 8.295 1.00 0.00 O ATOM 0 H GLY A 76 2.266 4.452 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.720 5.686 9.317 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.964 6.765 9.917 1.00 0.00 H new ATOM 180 N ASP A 77 1.340 6.854 6.724 1.00 0.00 N ATOM 181 CA ASP A 77 0.975 7.741 5.639 1.00 0.00 C ATOM 182 C ASP A 77 -0.111 7.113 4.842 1.00 0.00 C ATOM 183 O ASP A 77 -0.261 5.883 4.841 1.00 0.00 O ATOM 184 CB ASP A 77 2.116 7.963 4.675 1.00 0.00 C ATOM 185 CG ASP A 77 2.206 9.418 4.202 1.00 0.00 C ATOM 186 OD1 ASP A 77 1.153 10.121 4.160 1.00 0.00 O ATOM 187 OD2 ASP A 77 3.311 9.888 3.841 1.00 0.00 O ATOM 0 H ASP A 77 1.665 5.932 6.434 1.00 0.00 H new ATOM 0 HA ASP A 77 0.680 8.687 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.053 7.681 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.991 7.310 3.811 1.00 0.00 H new ATOM 192 N LYS A 78 -0.834 7.926 4.150 1.00 0.00 N ATOM 193 CA LYS A 78 -1.838 7.488 3.264 1.00 0.00 C ATOM 194 C LYS A 78 -1.280 7.320 1.894 1.00 0.00 C ATOM 195 O LYS A 78 -0.439 8.093 1.442 1.00 0.00 O ATOM 196 CB LYS A 78 -2.989 8.463 3.245 1.00 0.00 C ATOM 197 CG LYS A 78 -3.889 8.334 4.432 1.00 0.00 C ATOM 198 CD LYS A 78 -4.699 7.052 4.342 1.00 0.00 C ATOM 199 CE LYS A 78 -5.638 6.873 5.509 1.00 0.00 C ATOM 200 NZ LYS A 78 -6.688 7.909 5.553 1.00 0.00 N ATOM 0 H LYS A 78 -0.734 8.940 4.192 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.209 6.524 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.596 9.479 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.572 8.310 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.297 8.335 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.559 9.192 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.274 7.055 3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.020 6.201 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.104 5.890 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.068 6.899 6.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.475 7.580 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.295 8.785 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.035 8.093 4.590 1.00 0.00 H new ATOM 214 N CYS A 79 -1.732 6.325 1.257 1.00 0.00 N ATOM 215 CA CYS A 79 -1.344 6.014 -0.062 1.00 0.00 C ATOM 216 C CYS A 79 -2.520 5.375 -0.728 1.00 0.00 C ATOM 217 O CYS A 79 -3.577 5.204 -0.098 1.00 0.00 O ATOM 218 CB CYS A 79 -0.167 5.049 -0.023 1.00 0.00 C ATOM 219 SG CYS A 79 -0.493 3.539 0.919 1.00 0.00 S ATOM 0 H CYS A 79 -2.411 5.673 1.649 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.038 6.906 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.103 4.778 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.694 5.558 0.410 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.533 3.717 1.678 1.00 0.00 H new ATOM 225 N MET A 80 -2.391 5.061 -1.959 1.00 0.00 N ATOM 226 CA MET A 80 -3.408 4.337 -2.622 1.00 0.00 C ATOM 227 C MET A 80 -2.801 3.057 -3.062 1.00 0.00 C ATOM 228 O MET A 80 -1.722 3.053 -3.633 1.00 0.00 O ATOM 229 CB MET A 80 -4.005 5.100 -3.806 1.00 0.00 C ATOM 230 CG MET A 80 -4.564 6.472 -3.445 1.00 0.00 C ATOM 231 SD MET A 80 -5.763 7.072 -4.643 1.00 0.00 S ATOM 232 CE MET A 80 -7.051 5.838 -4.440 1.00 0.00 C ATOM 0 H MET A 80 -1.583 5.296 -2.535 1.00 0.00 H new ATOM 0 HA MET A 80 -4.243 4.170 -1.942 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.237 5.222 -4.570 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.801 4.500 -4.247 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.033 6.421 -2.462 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.743 7.186 -3.370 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.015 6.271 -4.706 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.845 4.986 -5.088 1.00 0.00 H new ATOM 0 HE3 MET A 80 -7.076 5.506 -3.402 1.00 0.00 H new ATOM 242 N ALA A 81 -3.448 1.986 -2.778 1.00 0.00 N ATOM 243 CA ALA A 81 -2.914 0.701 -3.086 1.00 0.00 C ATOM 244 C ALA A 81 -3.836 -0.017 -4.003 1.00 0.00 C ATOM 245 O ALA A 81 -5.048 0.215 -3.980 1.00 0.00 O ATOM 246 CB ALA A 81 -2.706 -0.102 -1.821 1.00 0.00 C ATOM 0 H ALA A 81 -4.362 1.970 -2.326 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.948 0.828 -3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.298 -1.080 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.010 0.423 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.660 -0.228 -1.309 1.00 0.00 H new ATOM 252 N VAL A 82 -3.283 -0.852 -4.810 1.00 0.00 N ATOM 253 CA VAL A 82 -4.048 -1.642 -5.722 1.00 0.00 C ATOM 254 C VAL A 82 -4.503 -2.892 -5.012 1.00 0.00 C ATOM 255 O VAL A 82 -3.679 -3.707 -4.601 1.00 0.00 O ATOM 256 CB VAL A 82 -3.226 -1.985 -6.992 1.00 0.00 C ATOM 257 CG1 VAL A 82 -3.984 -2.944 -7.901 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.910 -0.706 -7.743 1.00 0.00 C ATOM 0 H VAL A 82 -2.277 -1.011 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.918 -1.075 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.303 -2.475 -6.684 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.381 -3.164 -8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.191 -3.869 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.924 -2.486 -8.210 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.332 -0.942 -8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.839 -0.214 -8.031 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.331 -0.041 -7.102 1.00 0.00 H new ATOM 268 N TRP A 83 -5.801 -3.007 -4.824 1.00 0.00 N ATOM 269 CA TRP A 83 -6.388 -4.134 -4.153 1.00 0.00 C ATOM 270 C TRP A 83 -6.126 -5.351 -4.984 1.00 0.00 C ATOM 271 O TRP A 83 -6.523 -5.402 -6.133 1.00 0.00 O ATOM 272 CB TRP A 83 -7.892 -3.928 -4.006 1.00 0.00 C ATOM 273 CG TRP A 83 -8.571 -4.908 -3.103 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.996 -5.616 -2.101 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.960 -5.248 -3.087 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.929 -6.386 -1.470 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.146 -6.166 -2.047 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.061 -4.865 -3.844 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.384 -6.703 -1.747 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.290 -5.402 -3.544 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.439 -6.312 -2.502 1.00 0.00 C ATOM 0 H TRP A 83 -6.479 -2.312 -5.137 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.956 -4.248 -3.159 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.072 -2.921 -3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.351 -3.985 -4.993 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.949 -5.576 -1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.747 -7.022 -0.694 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -10.953 -4.158 -4.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.506 -7.409 -0.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.153 -5.113 -4.126 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.418 -6.716 -2.290 1.00 0.00 H new ATOM 292 N SER A 84 -5.493 -6.323 -4.409 1.00 0.00 N ATOM 293 CA SER A 84 -5.088 -7.505 -5.128 1.00 0.00 C ATOM 294 C SER A 84 -6.313 -8.310 -5.620 1.00 0.00 C ATOM 295 O SER A 84 -6.214 -9.094 -6.566 1.00 0.00 O ATOM 296 CB SER A 84 -4.159 -8.359 -4.238 1.00 0.00 C ATOM 297 OG SER A 84 -3.534 -9.399 -4.970 1.00 0.00 O ATOM 0 H SER A 84 -5.237 -6.326 -3.422 1.00 0.00 H new ATOM 0 HA SER A 84 -4.534 -7.207 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.397 -7.721 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.735 -8.788 -3.418 1.00 0.00 H new ATOM 0 HG SER A 84 -2.953 -9.916 -4.373 1.00 0.00 H new ATOM 303 N GLU A 85 -7.470 -8.085 -5.013 1.00 0.00 N ATOM 304 CA GLU A 85 -8.658 -8.824 -5.392 1.00 0.00 C ATOM 305 C GLU A 85 -9.388 -8.216 -6.574 1.00 0.00 C ATOM 306 O GLU A 85 -9.818 -8.927 -7.484 1.00 0.00 O ATOM 307 CB GLU A 85 -9.593 -8.921 -4.223 1.00 0.00 C ATOM 308 CG GLU A 85 -9.021 -9.707 -3.077 1.00 0.00 C ATOM 309 CD GLU A 85 -8.726 -11.127 -3.474 1.00 0.00 C ATOM 310 OE1 GLU A 85 -9.671 -11.928 -3.629 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.546 -11.472 -3.658 1.00 0.00 O ATOM 0 H GLU A 85 -7.607 -7.405 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.324 -9.815 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.842 -7.917 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.524 -9.387 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.106 -9.229 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.723 -9.700 -2.243 1.00 0.00 H new ATOM 318 N ASP A 86 -9.520 -6.915 -6.590 1.00 0.00 N ATOM 319 CA ASP A 86 -10.301 -6.286 -7.659 1.00 0.00 C ATOM 320 C ASP A 86 -9.403 -5.550 -8.628 1.00 0.00 C ATOM 321 O ASP A 86 -9.808 -5.194 -9.728 1.00 0.00 O ATOM 322 CB ASP A 86 -11.358 -5.357 -7.081 1.00 0.00 C ATOM 323 CG ASP A 86 -12.451 -5.020 -8.059 1.00 0.00 C ATOM 324 OD1 ASP A 86 -13.449 -5.767 -8.127 1.00 0.00 O ATOM 325 OD2 ASP A 86 -12.352 -4.023 -8.754 1.00 0.00 O ATOM 0 H ASP A 86 -9.117 -6.275 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.811 -7.075 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.799 -5.823 -6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.880 -4.435 -6.749 1.00 0.00 H new ATOM 330 N GLY A 87 -8.177 -5.316 -8.211 1.00 0.00 N ATOM 331 CA GLY A 87 -7.201 -4.699 -9.092 1.00 0.00 C ATOM 332 C GLY A 87 -7.334 -3.200 -9.181 1.00 0.00 C ATOM 333 O GLY A 87 -6.607 -2.557 -9.932 1.00 0.00 O ATOM 0 H GLY A 87 -7.832 -5.540 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.199 -4.947 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.304 -5.125 -10.090 1.00 0.00 H new ATOM 337 N GLN A 88 -8.261 -2.635 -8.436 1.00 0.00 N ATOM 338 CA GLN A 88 -8.445 -1.195 -8.457 1.00 0.00 C ATOM 339 C GLN A 88 -7.668 -0.576 -7.318 1.00 0.00 C ATOM 340 O GLN A 88 -7.283 -1.276 -6.374 1.00 0.00 O ATOM 341 CB GLN A 88 -9.917 -0.802 -8.329 1.00 0.00 C ATOM 342 CG GLN A 88 -10.864 -1.467 -9.311 1.00 0.00 C ATOM 343 CD GLN A 88 -10.424 -1.384 -10.754 1.00 0.00 C ATOM 344 OE1 GLN A 88 -10.724 -0.427 -11.450 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.805 -2.428 -11.238 1.00 0.00 N ATOM 0 H GLN A 88 -8.893 -3.141 -7.815 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.082 -0.828 -9.417 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.250 -1.035 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.997 0.278 -8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.975 -2.516 -9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.848 -1.008 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.570 -3.210 -10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.557 -2.461 -12.227 1.00 0.00 H new ATOM 354 N CYS A 89 -7.448 0.704 -7.383 1.00 0.00 N ATOM 355 CA CYS A 89 -6.727 1.386 -6.339 1.00 0.00 C ATOM 356 C CYS A 89 -7.690 1.957 -5.301 1.00 0.00 C ATOM 357 O CYS A 89 -8.749 2.506 -5.642 1.00 0.00 O ATOM 358 CB CYS A 89 -5.811 2.465 -6.924 1.00 0.00 C ATOM 359 SG CYS A 89 -6.648 3.646 -7.994 1.00 0.00 S ATOM 0 H CYS A 89 -7.757 1.302 -8.149 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.090 0.663 -5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.338 3.006 -6.105 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.014 1.981 -7.489 1.00 0.00 H new ATOM 0 HG CYS A 89 -5.789 4.517 -8.435 1.00 0.00 H new ATOM 365 N TYR A 90 -7.338 1.785 -4.053 1.00 0.00 N ATOM 366 CA TYR A 90 -8.126 2.227 -2.915 1.00 0.00 C ATOM 367 C TYR A 90 -7.225 2.919 -1.918 1.00 0.00 C ATOM 368 O TYR A 90 -6.008 2.710 -1.946 1.00 0.00 O ATOM 369 CB TYR A 90 -8.821 1.052 -2.246 1.00 0.00 C ATOM 370 CG TYR A 90 -9.886 0.380 -3.083 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.571 -0.623 -3.992 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.204 0.737 -2.941 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.555 -1.242 -4.738 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.198 0.125 -3.676 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.869 -0.862 -4.574 1.00 0.00 C ATOM 376 OH TYR A 90 -12.864 -1.479 -5.303 1.00 0.00 O ATOM 0 H TYR A 90 -6.470 1.320 -3.785 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.889 2.920 -3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.069 0.310 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.274 1.398 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.541 -0.923 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.468 1.514 -2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.296 -2.017 -5.444 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.229 0.420 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.732 -1.092 -5.065 1.00 0.00 H new ATOM 386 N GLU A 91 -7.799 3.744 -1.062 1.00 0.00 N ATOM 387 CA GLU A 91 -7.013 4.498 -0.090 1.00 0.00 C ATOM 388 C GLU A 91 -6.565 3.571 1.032 1.00 0.00 C ATOM 389 O GLU A 91 -7.373 2.860 1.619 1.00 0.00 O ATOM 390 CB GLU A 91 -7.829 5.655 0.506 1.00 0.00 C ATOM 391 CG GLU A 91 -7.001 6.581 1.402 1.00 0.00 C ATOM 392 CD GLU A 91 -7.804 7.694 2.042 1.00 0.00 C ATOM 393 OE1 GLU A 91 -8.199 8.646 1.340 1.00 0.00 O ATOM 394 OE2 GLU A 91 -8.012 7.661 3.270 1.00 0.00 O ATOM 0 H GLU A 91 -8.804 3.912 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.146 4.914 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.264 6.239 -0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.657 5.246 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.532 5.987 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.197 7.020 0.811 1.00 0.00 H new ATOM 401 N ALA A 92 -5.296 3.577 1.316 1.00 0.00 N ATOM 402 CA ALA A 92 -4.738 2.733 2.342 1.00 0.00 C ATOM 403 C ALA A 92 -3.656 3.456 3.104 1.00 0.00 C ATOM 404 O ALA A 92 -3.010 4.351 2.578 1.00 0.00 O ATOM 405 CB ALA A 92 -4.197 1.472 1.729 1.00 0.00 C ATOM 0 H ALA A 92 -4.612 4.168 0.843 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.529 2.474 3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.777 0.839 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.002 0.939 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.419 1.723 1.008 1.00 0.00 H new ATOM 411 N GLU A 93 -3.474 3.089 4.329 1.00 0.00 N ATOM 412 CA GLU A 93 -2.475 3.689 5.162 1.00 0.00 C ATOM 413 C GLU A 93 -1.398 2.680 5.507 1.00 0.00 C ATOM 414 O GLU A 93 -1.695 1.528 5.810 1.00 0.00 O ATOM 415 CB GLU A 93 -3.121 4.270 6.413 1.00 0.00 C ATOM 416 CG GLU A 93 -2.142 4.856 7.399 1.00 0.00 C ATOM 417 CD GLU A 93 -2.826 5.623 8.477 1.00 0.00 C ATOM 418 OE1 GLU A 93 -3.492 5.012 9.328 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.705 6.864 8.504 1.00 0.00 O ATOM 0 H GLU A 93 -4.017 2.358 4.788 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.998 4.505 4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.829 5.044 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.695 3.487 6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.552 4.055 7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.447 5.511 6.874 1.00 0.00 H new ATOM 426 N ILE A 94 -0.160 3.106 5.412 1.00 0.00 N ATOM 427 CA ILE A 94 0.983 2.264 5.704 1.00 0.00 C ATOM 428 C ILE A 94 1.128 2.022 7.194 1.00 0.00 C ATOM 429 O ILE A 94 1.275 2.966 7.981 1.00 0.00 O ATOM 430 CB ILE A 94 2.258 2.906 5.161 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.092 3.151 3.675 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.460 2.009 5.422 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.129 4.052 3.089 1.00 0.00 C ATOM 0 H ILE A 94 0.087 4.054 5.128 1.00 0.00 H new ATOM 0 HA ILE A 94 0.821 1.302 5.218 1.00 0.00 H new ATOM 0 HB ILE A 94 2.431 3.855 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.120 2.194 3.154 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.107 3.582 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.360 2.482 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.572 1.853 6.495 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.311 1.048 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.941 4.178 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.087 5.023 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.116 3.613 3.234 1.00 0.00 H new ATOM 445 N GLU A 95 1.109 0.771 7.558 1.00 0.00 N ATOM 446 CA GLU A 95 1.227 0.348 8.940 1.00 0.00 C ATOM 447 C GLU A 95 2.654 -0.089 9.243 1.00 0.00 C ATOM 448 O GLU A 95 3.150 0.080 10.368 1.00 0.00 O ATOM 449 CB GLU A 95 0.286 -0.809 9.168 1.00 0.00 C ATOM 450 CG GLU A 95 -1.164 -0.451 8.975 1.00 0.00 C ATOM 451 CD GLU A 95 -1.750 0.305 10.139 1.00 0.00 C ATOM 452 OE1 GLU A 95 -2.268 -0.337 11.085 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.731 1.547 10.137 1.00 0.00 O ATOM 0 H GLU A 95 1.010 -0.001 6.899 1.00 0.00 H new ATOM 0 HA GLU A 95 0.974 1.179 9.598 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.546 -1.618 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.427 -1.188 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.266 0.150 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.739 -1.364 8.817 1.00 0.00 H new ATOM 460 N GLU A 96 3.301 -0.663 8.254 1.00 0.00 N ATOM 461 CA GLU A 96 4.640 -1.138 8.378 1.00 0.00 C ATOM 462 C GLU A 96 5.291 -1.123 7.000 1.00 0.00 C ATOM 463 O GLU A 96 4.597 -1.250 5.997 1.00 0.00 O ATOM 464 CB GLU A 96 4.607 -2.564 8.945 1.00 0.00 C ATOM 465 CG GLU A 96 5.954 -3.217 9.047 1.00 0.00 C ATOM 466 CD GLU A 96 6.898 -2.468 9.967 1.00 0.00 C ATOM 467 OE1 GLU A 96 7.492 -1.452 9.536 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.035 -2.856 11.144 1.00 0.00 O ATOM 0 H GLU A 96 2.895 -0.810 7.330 1.00 0.00 H new ATOM 0 HA GLU A 96 5.217 -0.504 9.051 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.152 -2.539 9.935 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.965 -3.179 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.832 -4.237 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.398 -3.283 8.054 1.00 0.00 H new ATOM 475 N ILE A 97 6.588 -0.946 6.954 1.00 0.00 N ATOM 476 CA ILE A 97 7.334 -0.963 5.718 1.00 0.00 C ATOM 477 C ILE A 97 8.455 -1.957 5.856 1.00 0.00 C ATOM 478 O ILE A 97 9.149 -1.967 6.866 1.00 0.00 O ATOM 479 CB ILE A 97 7.962 0.419 5.395 1.00 0.00 C ATOM 480 CG1 ILE A 97 6.892 1.486 5.305 1.00 0.00 C ATOM 481 CG2 ILE A 97 8.758 0.363 4.083 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.446 2.868 5.139 1.00 0.00 C ATOM 0 H ILE A 97 7.162 -0.784 7.781 1.00 0.00 H new ATOM 0 HA ILE A 97 6.646 -1.226 4.914 1.00 0.00 H new ATOM 0 HB ILE A 97 8.644 0.674 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.235 1.262 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.279 1.453 6.206 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.189 1.343 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.557 -0.373 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.094 0.080 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.626 3.584 5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.080 3.111 5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.035 2.916 4.223 1.00 0.00 H new ATOM 494 N ASP A 98 8.626 -2.778 4.873 1.00 0.00 N ATOM 495 CA ASP A 98 9.702 -3.721 4.839 1.00 0.00 C ATOM 496 C ASP A 98 10.555 -3.395 3.639 1.00 0.00 C ATOM 497 O ASP A 98 10.217 -3.757 2.509 1.00 0.00 O ATOM 498 CB ASP A 98 9.168 -5.145 4.737 1.00 0.00 C ATOM 499 CG ASP A 98 10.268 -6.178 4.730 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.813 -6.461 3.659 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.587 -6.738 5.806 1.00 0.00 O ATOM 0 H ASP A 98 8.015 -2.816 4.057 1.00 0.00 H new ATOM 0 HA ASP A 98 10.288 -3.656 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.498 -5.339 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.577 -5.243 3.827 1.00 0.00 H new ATOM 506 N GLU A 99 11.585 -2.615 3.862 1.00 0.00 N ATOM 507 CA GLU A 99 12.490 -2.178 2.810 1.00 0.00 C ATOM 508 C GLU A 99 13.303 -3.328 2.217 1.00 0.00 C ATOM 509 O GLU A 99 13.813 -3.219 1.105 1.00 0.00 O ATOM 510 CB GLU A 99 13.396 -1.069 3.307 1.00 0.00 C ATOM 511 CG GLU A 99 14.218 -1.449 4.519 1.00 0.00 C ATOM 512 CD GLU A 99 15.067 -0.324 5.018 1.00 0.00 C ATOM 513 OE1 GLU A 99 16.135 -0.077 4.449 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.681 0.342 6.020 1.00 0.00 O ATOM 0 H GLU A 99 11.827 -2.258 4.787 1.00 0.00 H new ATOM 0 HA GLU A 99 11.871 -1.787 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.068 -0.774 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.788 -0.198 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 99 13.551 -1.777 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.856 -2.297 4.269 1.00 0.00 H new ATOM 521 N GLU A 100 13.413 -4.416 2.967 1.00 0.00 N ATOM 522 CA GLU A 100 14.155 -5.590 2.547 1.00 0.00 C ATOM 523 C GLU A 100 13.534 -6.160 1.282 1.00 0.00 C ATOM 524 O GLU A 100 14.230 -6.442 0.300 1.00 0.00 O ATOM 525 CB GLU A 100 14.138 -6.636 3.675 1.00 0.00 C ATOM 526 CG GLU A 100 14.937 -7.902 3.406 1.00 0.00 C ATOM 527 CD GLU A 100 16.384 -7.617 3.140 1.00 0.00 C ATOM 528 OE1 GLU A 100 17.091 -7.153 4.054 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.850 -7.851 2.016 1.00 0.00 O ATOM 0 H GLU A 100 12.986 -4.506 3.889 1.00 0.00 H new ATOM 0 HA GLU A 100 15.189 -5.317 2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.521 -6.171 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.103 -6.915 3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.852 -8.571 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.509 -8.424 2.550 1.00 0.00 H new ATOM 536 N ASN A 101 12.227 -6.283 1.298 1.00 0.00 N ATOM 537 CA ASN A 101 11.494 -6.800 0.157 1.00 0.00 C ATOM 538 C ASN A 101 10.942 -5.653 -0.670 1.00 0.00 C ATOM 539 O ASN A 101 10.536 -5.828 -1.828 1.00 0.00 O ATOM 540 CB ASN A 101 10.354 -7.726 0.619 1.00 0.00 C ATOM 541 CG ASN A 101 10.839 -8.984 1.338 1.00 0.00 C ATOM 542 OD1 ASN A 101 11.035 -10.038 0.725 1.00 0.00 O ATOM 543 ND2 ASN A 101 11.044 -8.892 2.620 1.00 0.00 N ATOM 0 H ASN A 101 11.642 -6.031 2.094 1.00 0.00 H new ATOM 0 HA ASN A 101 12.178 -7.382 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.693 -7.170 1.284 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.762 -8.019 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.375 -9.703 3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.874 -8.009 3.102 1.00 0.00 H new ATOM 550 N GLY A 102 10.963 -4.469 -0.088 1.00 0.00 N ATOM 551 CA GLY A 102 10.416 -3.296 -0.740 1.00 0.00 C ATOM 552 C GLY A 102 8.909 -3.337 -0.726 1.00 0.00 C ATOM 553 O GLY A 102 8.245 -2.919 -1.673 1.00 0.00 O ATOM 0 H GLY A 102 11.354 -4.295 0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.766 -2.396 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.774 -3.244 -1.768 1.00 0.00 H new ATOM 557 N THR A 103 8.371 -3.835 0.341 1.00 0.00 N ATOM 558 CA THR A 103 6.964 -4.009 0.463 1.00 0.00 C ATOM 559 C THR A 103 6.487 -3.300 1.695 1.00 0.00 C ATOM 560 O THR A 103 7.260 -3.084 2.611 1.00 0.00 O ATOM 561 CB THR A 103 6.617 -5.512 0.557 1.00 0.00 C ATOM 562 OG1 THR A 103 7.359 -6.109 1.639 1.00 0.00 O ATOM 563 CG2 THR A 103 6.972 -6.236 -0.728 1.00 0.00 C ATOM 0 H THR A 103 8.903 -4.134 1.158 1.00 0.00 H new ATOM 0 HA THR A 103 6.472 -3.593 -0.416 1.00 0.00 H new ATOM 0 HB THR A 103 5.545 -5.601 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.138 -7.062 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.717 -7.292 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.414 -5.801 -1.557 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.041 -6.137 -0.918 1.00 0.00 H new ATOM 571 N ALA A 104 5.263 -2.932 1.722 1.00 0.00 N ATOM 572 CA ALA A 104 4.713 -2.303 2.875 1.00 0.00 C ATOM 573 C ALA A 104 3.378 -2.902 3.211 1.00 0.00 C ATOM 574 O ALA A 104 2.648 -3.364 2.329 1.00 0.00 O ATOM 575 CB ALA A 104 4.603 -0.812 2.664 1.00 0.00 C ATOM 0 H ALA A 104 4.608 -3.055 0.949 1.00 0.00 H new ATOM 0 HA ALA A 104 5.382 -2.474 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.181 -0.349 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.593 -0.397 2.474 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.956 -0.612 1.810 1.00 0.00 H new ATOM 581 N ALA A 105 3.084 -2.930 4.469 1.00 0.00 N ATOM 582 CA ALA A 105 1.832 -3.412 4.940 1.00 0.00 C ATOM 583 C ALA A 105 0.930 -2.247 5.097 1.00 0.00 C ATOM 584 O ALA A 105 1.230 -1.310 5.844 1.00 0.00 O ATOM 585 CB ALA A 105 1.979 -4.156 6.237 1.00 0.00 C ATOM 0 H ALA A 105 3.715 -2.615 5.206 1.00 0.00 H new ATOM 0 HA ALA A 105 1.417 -4.120 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.002 -4.510 6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.644 -5.008 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.398 -3.491 6.992 1.00 0.00 H new ATOM 591 N ILE A 106 -0.135 -2.283 4.396 1.00 0.00 N ATOM 592 CA ILE A 106 -1.051 -1.190 4.357 1.00 0.00 C ATOM 593 C ILE A 106 -2.442 -1.637 4.733 1.00 0.00 C ATOM 594 O ILE A 106 -2.819 -2.794 4.506 1.00 0.00 O ATOM 595 CB ILE A 106 -1.026 -0.480 2.956 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.265 -1.457 1.803 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.265 0.276 2.734 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.703 -1.714 1.483 1.00 0.00 C ATOM 0 H ILE A 106 -0.409 -3.080 3.821 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.733 -0.456 5.097 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.850 0.234 2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.773 -1.070 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.787 -2.406 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.243 0.753 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.378 1.037 3.506 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.105 -0.417 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.771 -2.418 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.201 -2.134 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.187 -0.778 1.205 1.00 0.00 H new ATOM 610 N THR A 107 -3.172 -0.744 5.305 1.00 0.00 N ATOM 611 CA THR A 107 -4.519 -0.989 5.706 1.00 0.00 C ATOM 612 C THR A 107 -5.443 -0.050 4.945 1.00 0.00 C ATOM 613 O THR A 107 -5.291 1.171 5.010 1.00 0.00 O ATOM 614 CB THR A 107 -4.693 -0.803 7.236 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.835 -1.719 7.938 1.00 0.00 O ATOM 616 CG2 THR A 107 -6.131 -1.054 7.657 1.00 0.00 C ATOM 0 H THR A 107 -2.844 0.199 5.513 1.00 0.00 H new ATOM 0 HA THR A 107 -4.775 -2.023 5.473 1.00 0.00 H new ATOM 0 HB THR A 107 -4.428 0.225 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.947 -1.597 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.224 -0.917 8.734 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.788 -0.352 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.414 -2.074 7.396 1.00 0.00 H new ATOM 624 N PHE A 108 -6.356 -0.625 4.204 1.00 0.00 N ATOM 625 CA PHE A 108 -7.300 0.114 3.413 1.00 0.00 C ATOM 626 C PHE A 108 -8.274 0.850 4.300 1.00 0.00 C ATOM 627 O PHE A 108 -8.939 0.244 5.158 1.00 0.00 O ATOM 628 CB PHE A 108 -8.034 -0.811 2.453 1.00 0.00 C ATOM 629 CG PHE A 108 -7.138 -1.444 1.427 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.818 -0.761 0.266 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.628 -2.722 1.611 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.010 -1.335 -0.694 1.00 0.00 C ATOM 633 CE2 PHE A 108 -5.818 -3.298 0.657 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.510 -2.605 -0.499 1.00 0.00 C ATOM 0 H PHE A 108 -6.464 -1.637 4.134 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.754 0.851 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.529 -1.596 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.815 -0.247 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.206 0.235 0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.868 -3.270 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.770 -0.791 -1.596 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.423 -4.291 0.812 1.00 0.00 H new ATOM 0 HZ PHE A 108 -4.878 -3.058 -1.249 1.00 0.00 H new ATOM 644 N ALA A 109 -8.359 2.139 4.083 1.00 0.00 N ATOM 645 CA ALA A 109 -9.189 3.021 4.876 1.00 0.00 C ATOM 646 C ALA A 109 -10.649 2.662 4.710 1.00 0.00 C ATOM 647 O ALA A 109 -11.094 2.335 3.601 1.00 0.00 O ATOM 648 CB ALA A 109 -8.948 4.466 4.471 1.00 0.00 C ATOM 0 H ALA A 109 -7.847 2.615 3.340 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.924 2.903 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.577 5.122 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.900 4.719 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.194 4.594 3.417 1.00 0.00 H new ATOM 654 N GLY A 110 -11.375 2.651 5.802 1.00 0.00 N ATOM 655 CA GLY A 110 -12.789 2.346 5.753 1.00 0.00 C ATOM 656 C GLY A 110 -13.066 0.855 5.820 1.00 0.00 C ATOM 657 O GLY A 110 -13.930 0.403 6.572 1.00 0.00 O ATOM 0 H GLY A 110 -11.013 2.849 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.293 2.843 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.213 2.750 4.833 1.00 0.00 H new ATOM 661 N TYR A 111 -12.344 0.087 5.035 1.00 0.00 N ATOM 662 CA TYR A 111 -12.527 -1.355 5.016 1.00 0.00 C ATOM 663 C TYR A 111 -11.822 -1.999 6.186 1.00 0.00 C ATOM 664 O TYR A 111 -12.357 -2.888 6.837 1.00 0.00 O ATOM 665 CB TYR A 111 -12.021 -1.952 3.709 1.00 0.00 C ATOM 666 CG TYR A 111 -12.575 -1.262 2.511 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.849 -1.538 2.072 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.824 -0.325 1.824 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.369 -0.905 0.976 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.326 0.317 0.724 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.605 0.026 0.300 1.00 0.00 C ATOM 672 OH TYR A 111 -14.133 0.683 -0.791 1.00 0.00 O ATOM 0 H TYR A 111 -11.624 0.432 4.400 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.595 -1.556 5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -10.933 -1.895 3.685 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.286 -3.009 3.670 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.448 -2.265 2.600 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.824 -0.096 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.371 -1.132 0.642 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.727 1.043 0.195 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.575 0.511 -1.578 1.00 0.00 H new ATOM 682 N GLY A 112 -10.623 -1.547 6.449 1.00 0.00 N ATOM 683 CA GLY A 112 -9.858 -2.090 7.535 1.00 0.00 C ATOM 684 C GLY A 112 -9.041 -3.280 7.106 1.00 0.00 C ATOM 685 O GLY A 112 -8.346 -3.881 7.915 1.00 0.00 O ATOM 0 H GLY A 112 -10.158 -0.805 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.197 -1.321 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.530 -2.383 8.342 1.00 0.00 H new ATOM 689 N ASN A 113 -9.122 -3.623 5.830 1.00 0.00 N ATOM 690 CA ASN A 113 -8.343 -4.728 5.301 1.00 0.00 C ATOM 691 C ASN A 113 -6.908 -4.353 5.257 1.00 0.00 C ATOM 692 O ASN A 113 -6.576 -3.194 5.032 1.00 0.00 O ATOM 693 CB ASN A 113 -8.749 -5.149 3.899 1.00 0.00 C ATOM 694 CG ASN A 113 -10.047 -5.910 3.783 1.00 0.00 C ATOM 695 OD1 ASN A 113 -11.014 -5.696 4.520 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.073 -6.810 2.844 1.00 0.00 N ATOM 0 H ASN A 113 -9.716 -3.154 5.146 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.529 -5.567 5.971 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.819 -4.255 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.952 -5.765 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -10.913 -7.369 2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.253 -6.957 2.256 1.00 0.00 H new ATOM 703 N ALA A 114 -6.069 -5.305 5.423 1.00 0.00 N ATOM 704 CA ALA A 114 -4.662 -5.055 5.447 1.00 0.00 C ATOM 705 C ALA A 114 -3.956 -6.091 4.648 1.00 0.00 C ATOM 706 O ALA A 114 -4.260 -7.277 4.766 1.00 0.00 O ATOM 707 CB ALA A 114 -4.147 -5.045 6.865 1.00 0.00 C ATOM 0 H ALA A 114 -6.329 -6.283 5.547 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.471 -4.075 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.074 -4.853 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.653 -4.263 7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.341 -6.012 7.329 1.00 0.00 H new ATOM 713 N GLU A 115 -3.049 -5.668 3.824 1.00 0.00 N ATOM 714 CA GLU A 115 -2.300 -6.576 3.017 1.00 0.00 C ATOM 715 C GLU A 115 -0.909 -6.036 2.819 1.00 0.00 C ATOM 716 O GLU A 115 -0.670 -4.820 2.970 1.00 0.00 O ATOM 717 CB GLU A 115 -2.993 -6.826 1.661 1.00 0.00 C ATOM 718 CG GLU A 115 -3.115 -5.622 0.753 1.00 0.00 C ATOM 719 CD GLU A 115 -3.773 -5.999 -0.570 1.00 0.00 C ATOM 720 OE1 GLU A 115 -5.015 -6.176 -0.612 1.00 0.00 O ATOM 721 OE2 GLU A 115 -3.049 -6.169 -1.578 1.00 0.00 O ATOM 0 H GLU A 115 -2.808 -4.686 3.693 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.243 -7.536 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.443 -7.603 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.993 -7.217 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.702 -4.847 1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.127 -5.202 0.565 1.00 0.00 H new ATOM 728 N VAL A 116 0.008 -6.915 2.538 1.00 0.00 N ATOM 729 CA VAL A 116 1.354 -6.529 2.246 1.00 0.00 C ATOM 730 C VAL A 116 1.451 -6.334 0.753 1.00 0.00 C ATOM 731 O VAL A 116 1.126 -7.235 -0.019 1.00 0.00 O ATOM 732 CB VAL A 116 2.375 -7.596 2.710 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.799 -7.143 2.425 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.203 -7.903 4.192 1.00 0.00 C ATOM 0 H VAL A 116 -0.158 -7.921 2.505 1.00 0.00 H new ATOM 0 HA VAL A 116 1.594 -5.611 2.783 1.00 0.00 H new ATOM 0 HB VAL A 116 2.185 -8.509 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.498 -7.909 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.922 -6.982 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.998 -6.213 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.931 -8.655 4.495 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.358 -6.994 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.196 -8.280 4.371 1.00 0.00 H new ATOM 744 N THR A 117 1.831 -5.176 0.352 1.00 0.00 N ATOM 745 CA THR A 117 1.898 -4.849 -1.035 1.00 0.00 C ATOM 746 C THR A 117 3.205 -4.105 -1.311 1.00 0.00 C ATOM 747 O THR A 117 3.691 -3.357 -0.453 1.00 0.00 O ATOM 748 CB THR A 117 0.643 -4.026 -1.477 1.00 0.00 C ATOM 749 OG1 THR A 117 0.583 -3.898 -2.901 1.00 0.00 O ATOM 750 CG2 THR A 117 0.637 -2.651 -0.852 1.00 0.00 C ATOM 0 H THR A 117 2.107 -4.419 0.977 1.00 0.00 H new ATOM 0 HA THR A 117 1.891 -5.763 -1.629 1.00 0.00 H new ATOM 0 HB THR A 117 -0.233 -4.575 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.211 -3.381 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.248 -2.106 -1.180 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.624 -2.745 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.531 -2.108 -1.158 1.00 0.00 H new ATOM 758 N PRO A 118 3.849 -4.376 -2.445 1.00 0.00 N ATOM 759 CA PRO A 118 5.097 -3.735 -2.801 1.00 0.00 C ATOM 760 C PRO A 118 4.912 -2.234 -2.954 1.00 0.00 C ATOM 761 O PRO A 118 3.848 -1.768 -3.378 1.00 0.00 O ATOM 762 CB PRO A 118 5.462 -4.371 -4.140 1.00 0.00 C ATOM 763 CG PRO A 118 4.176 -4.836 -4.687 1.00 0.00 C ATOM 764 CD PRO A 118 3.370 -5.266 -3.504 1.00 0.00 C ATOM 0 HA PRO A 118 5.869 -3.868 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.940 -3.651 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.161 -5.197 -4.010 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.673 -4.040 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.322 -5.662 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.301 -5.148 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.539 -6.314 -3.259 1.00 0.00 H new ATOM 772 N LEU A 119 5.935 -1.487 -2.604 1.00 0.00 N ATOM 773 CA LEU A 119 5.938 -0.022 -2.697 1.00 0.00 C ATOM 774 C LEU A 119 5.594 0.448 -4.102 1.00 0.00 C ATOM 775 O LEU A 119 5.085 1.547 -4.281 1.00 0.00 O ATOM 776 CB LEU A 119 7.297 0.551 -2.291 1.00 0.00 C ATOM 777 CG LEU A 119 7.840 0.105 -0.937 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.172 0.763 -0.657 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.850 0.393 0.169 1.00 0.00 C ATOM 0 H LEU A 119 6.806 -1.874 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 119 5.175 0.342 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 119 8.024 0.282 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.223 1.638 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 119 7.992 -0.974 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.544 0.433 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.885 0.485 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.048 1.846 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.264 0.065 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.651 1.464 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.920 -0.142 -0.026 1.00 0.00 H new ATOM 791 N LEU A 120 5.879 -0.395 -5.095 1.00 0.00 N ATOM 792 CA LEU A 120 5.572 -0.097 -6.489 1.00 0.00 C ATOM 793 C LEU A 120 4.053 0.031 -6.696 1.00 0.00 C ATOM 794 O LEU A 120 3.592 0.783 -7.560 1.00 0.00 O ATOM 795 CB LEU A 120 6.205 -1.170 -7.429 1.00 0.00 C ATOM 796 CG LEU A 120 5.558 -2.575 -7.482 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.431 -2.610 -8.486 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.588 -3.648 -7.792 1.00 0.00 C ATOM 0 H LEU A 120 6.328 -1.300 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 120 6.014 0.865 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.205 -0.766 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.247 -1.295 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 120 5.145 -2.786 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.992 -3.607 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.669 -1.884 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.817 -2.364 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.101 -4.622 -7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.048 -3.442 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.356 -3.650 -7.018 1.00 0.00 H new ATOM 810 N ASN A 121 3.291 -0.667 -5.856 1.00 0.00 N ATOM 811 CA ASN A 121 1.831 -0.697 -5.956 1.00 0.00 C ATOM 812 C ASN A 121 1.208 0.429 -5.203 1.00 0.00 C ATOM 813 O ASN A 121 0.026 0.725 -5.373 1.00 0.00 O ATOM 814 CB ASN A 121 1.248 -2.031 -5.475 1.00 0.00 C ATOM 815 CG ASN A 121 1.313 -3.120 -6.513 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.276 -2.859 -7.710 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.365 -4.339 -6.076 1.00 0.00 N ATOM 0 H ASN A 121 3.665 -1.226 -5.089 1.00 0.00 H new ATOM 0 HA ASN A 121 1.593 -0.584 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.787 -2.355 -4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.209 -1.880 -5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 121 1.376 -5.117 -6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.395 -4.520 -5.073 1.00 0.00 H new ATOM 824 N LEU A 122 1.987 1.047 -4.366 1.00 0.00 N ATOM 825 CA LEU A 122 1.507 2.171 -3.619 1.00 0.00 C ATOM 826 C LEU A 122 1.637 3.414 -4.457 1.00 0.00 C ATOM 827 O LEU A 122 2.713 3.731 -4.965 1.00 0.00 O ATOM 828 CB LEU A 122 2.295 2.321 -2.327 1.00 0.00 C ATOM 829 CG LEU A 122 2.255 1.130 -1.387 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.053 1.403 -0.134 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.833 0.786 -1.036 1.00 0.00 C ATOM 0 H LEU A 122 2.958 0.792 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 122 0.459 2.015 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.335 2.526 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.919 3.194 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 122 2.706 0.280 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.008 0.534 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.091 1.603 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.637 2.269 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.822 -0.070 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.362 1.639 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.283 0.539 -1.944 1.00 0.00 H new ATOM 843 N LYS A 123 0.564 4.107 -4.597 1.00 0.00 N ATOM 844 CA LYS A 123 0.518 5.315 -5.373 1.00 0.00 C ATOM 845 C LYS A 123 0.237 6.462 -4.421 1.00 0.00 C ATOM 846 O LYS A 123 -0.375 6.244 -3.366 1.00 0.00 O ATOM 847 CB LYS A 123 -0.595 5.223 -6.439 1.00 0.00 C ATOM 848 CG LYS A 123 -0.573 3.946 -7.285 1.00 0.00 C ATOM 849 CD LYS A 123 0.751 3.742 -8.015 1.00 0.00 C ATOM 850 CE LYS A 123 0.735 2.433 -8.789 1.00 0.00 C ATOM 851 NZ LYS A 123 2.030 2.141 -9.441 1.00 0.00 N ATOM 0 H LYS A 123 -0.328 3.854 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 123 1.465 5.471 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.562 5.295 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.514 6.083 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.764 3.087 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.382 3.985 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 123 0.929 4.573 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.572 3.737 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.482 1.618 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.048 2.473 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.870 1.547 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.482 3.032 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.649 1.638 -8.774 1.00 0.00 H new ATOM 865 N PRO A 124 0.691 7.678 -4.728 1.00 0.00 N ATOM 866 CA PRO A 124 0.437 8.827 -3.875 1.00 0.00 C ATOM 867 C PRO A 124 -1.029 9.234 -3.905 1.00 0.00 C ATOM 868 O PRO A 124 -1.734 9.014 -4.903 1.00 0.00 O ATOM 869 CB PRO A 124 1.318 9.931 -4.465 1.00 0.00 C ATOM 870 CG PRO A 124 1.532 9.534 -5.886 1.00 0.00 C ATOM 871 CD PRO A 124 1.494 8.031 -5.917 1.00 0.00 C ATOM 0 HA PRO A 124 0.662 8.618 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.831 10.904 -4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 124 2.264 10.009 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.758 9.955 -6.528 1.00 0.00 H new ATOM 0 HG3 PRO A 124 2.488 9.906 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 124 1.036 7.661 -6.834 1.00 0.00 H new ATOM 0 HD3 PRO A 124 2.495 7.604 -5.866 1.00 0.00 H new ATOM 879 N VAL A 125 -1.484 9.800 -2.827 1.00 0.00 N ATOM 880 CA VAL A 125 -2.838 10.259 -2.724 1.00 0.00 C ATOM 881 C VAL A 125 -2.946 11.598 -3.428 1.00 0.00 C ATOM 882 O VAL A 125 -2.576 12.641 -2.872 1.00 0.00 O ATOM 883 CB VAL A 125 -3.282 10.413 -1.243 1.00 0.00 C ATOM 884 CG1 VAL A 125 -4.712 10.901 -1.146 1.00 0.00 C ATOM 885 CG2 VAL A 125 -3.135 9.105 -0.506 1.00 0.00 C ATOM 0 H VAL A 125 -0.924 9.957 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.493 9.522 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.634 11.157 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -4.993 10.999 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.800 11.870 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -5.374 10.186 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.451 9.233 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.756 8.347 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.092 8.789 -0.531 1.00 0.00 H new ATOM 895 N GLU A 126 -3.368 11.567 -4.651 1.00 0.00 N ATOM 896 CA GLU A 126 -3.522 12.765 -5.407 1.00 0.00 C ATOM 897 C GLU A 126 -4.870 13.376 -5.130 1.00 0.00 C ATOM 898 O GLU A 126 -5.912 12.817 -5.485 1.00 0.00 O ATOM 899 CB GLU A 126 -3.302 12.500 -6.887 1.00 0.00 C ATOM 900 CG GLU A 126 -1.872 12.116 -7.208 1.00 0.00 C ATOM 901 CD GLU A 126 -1.664 11.754 -8.647 1.00 0.00 C ATOM 902 OE1 GLU A 126 -1.994 12.573 -9.538 1.00 0.00 O ATOM 903 OE2 GLU A 126 -1.166 10.640 -8.919 1.00 0.00 O ATOM 0 H GLU A 126 -3.615 10.713 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.763 13.485 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -3.969 11.702 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -3.570 13.391 -7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.214 12.946 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.581 11.272 -6.583 1.00 0.00 H new ATOM 910 N GLU A 127 -4.847 14.481 -4.438 1.00 0.00 N ATOM 911 CA GLU A 127 -6.049 15.199 -4.063 1.00 0.00 C ATOM 912 C GLU A 127 -5.918 16.650 -4.502 1.00 0.00 C ATOM 913 O GLU A 127 -6.601 17.549 -4.002 1.00 0.00 O ATOM 914 CB GLU A 127 -6.280 15.070 -2.545 1.00 0.00 C ATOM 915 CG GLU A 127 -5.121 15.546 -1.680 1.00 0.00 C ATOM 916 CD GLU A 127 -5.326 15.230 -0.217 1.00 0.00 C ATOM 917 OE1 GLU A 127 -5.973 16.019 0.496 1.00 0.00 O ATOM 918 OE2 GLU A 127 -4.836 14.170 0.248 1.00 0.00 O ATOM 0 H GLU A 127 -3.986 14.920 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.920 14.773 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -7.171 15.638 -2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.485 14.025 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.199 15.078 -2.024 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -4.998 16.622 -1.803 1.00 0.00 H new ATOM 925 N GLY A 128 -5.055 16.849 -5.459 1.00 0.00 N ATOM 926 CA GLY A 128 -4.797 18.128 -6.019 1.00 0.00 C ATOM 927 C GLY A 128 -3.608 18.001 -6.905 1.00 0.00 C ATOM 928 O GLY A 128 -3.494 18.723 -7.907 1.00 0.00 O ATOM 929 OXT GLY A 128 -2.771 17.119 -6.618 1.00 0.00 O ATOM 0 H GLY A 128 -4.502 16.100 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.660 18.479 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -4.612 18.860 -5.233 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 C1 DA2 A1129 -9.643 -2.200 -0.896 1.00 0.00 C HETATM 935 C2 DA2 A1129 -9.875 -3.902 0.923 1.00 0.00 C HETATM 936 N DA2 A1129 -13.933 -6.935 4.266 1.00 0.00 N HETATM 937 CA DA2 A1129 -14.295 -6.967 2.860 1.00 0.00 C HETATM 938 CB DA2 A1129 -13.905 -5.671 2.165 1.00 0.00 C HETATM 939 CG DA2 A1129 -14.252 -5.660 0.684 1.00 0.00 C HETATM 940 CD DA2 A1129 -13.866 -4.367 0.045 1.00 0.00 C HETATM 941 NE DA2 A1129 -12.454 -4.098 0.242 1.00 0.00 N HETATM 942 CZ DA2 A1129 -11.732 -3.262 -0.445 1.00 0.00 C HETATM 943 NH2 DA2 A1129 -12.246 -2.561 -1.415 1.00 0.00 N HETATM 944 NH1 DA2 A1129 -10.471 -3.126 -0.151 1.00 0.00 N HETATM 945 C DA2 A1129 -13.582 -8.120 2.221 1.00 0.00 C HETATM 946 O DA2 A1129 -14.241 -9.017 1.683 1.00 0.00 O HETATM 947 OXT DA2 A1129 -12.334 -8.174 2.314 1.00 0.00 O HETATM 0 HNH2 DA2 A1129 -12.147 -3.071 -2.293 1.00 0.00 H new HETATM 0 HCG2 DA2 A1129 -13.741 -6.482 0.183 1.00 0.00 H new HETATM 0 HCG1 DA2 A1129 -15.322 -5.825 0.558 1.00 0.00 H new HETATM 0 HCD2 DA2 A1129 -14.089 -4.402 -1.021 1.00 0.00 H new HETATM 0 HCD1 DA2 A1129 -14.458 -3.556 0.468 1.00 0.00 H new HETATM 0 HCB2 DA2 A1129 -14.407 -4.837 2.656 1.00 0.00 H new HETATM 0 HCB1 DA2 A1129 -12.833 -5.511 2.282 1.00 0.00 H new HETATM 0 HC23 DA2 A1129 -9.070 -4.519 0.523 1.00 0.00 H new HETATM 0 HC22 DA2 A1129 -9.474 -3.228 1.680 1.00 0.00 H new HETATM 0 HC21 DA2 A1129 -10.633 -4.542 1.373 1.00 0.00 H new HETATM 0 HC13 DA2 A1129 -9.231 -1.453 -0.217 1.00 0.00 H new HETATM 0 HC12 DA2 A1129 -8.828 -2.744 -1.374 1.00 0.00 H new HETATM 0 HC11 DA2 A1129 -10.245 -1.705 -1.658 1.00 0.00 H new HETATM 0 HXT DA2 A1129 -12.011 -9.005 1.908 1.00 0.00 H new HETATM 0 HNE DA2 A1129 -11.984 -4.612 0.988 1.00 0.00 H new HETATM 0 HN2 DA2 A1129 -14.133 -7.738 4.863 1.00 0.00 H new HETATM 0 HN1 DA2 A1129 -13.478 -6.110 4.657 1.00 0.00 H new HETATM 0 HCA DA2 A1129 -15.375 -7.082 2.766 1.00 0.00 H new