USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0603 (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 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.27) USER MOD Single : A 17 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.8) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 55 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.4!) USER MOD Single : A 57 GLN : amide:sc= -0.855 K(o=-0.85,f=-0.11) USER MOD Single : A 58 SER OG : rot 30:sc= -0.449 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0628 USER MOD Single : A 64 HIS : no HE2:sc= -9.36! C(o=-9.4!,f=-9.1!) USER MOD Single : A 72 THR OG1 : rot 92:sc= 0.786 USER MOD Single : A 75 TYR OH : rot -87:sc= 0.13 USER MOD Single : A 79 HIS : no HE2:sc= -3.33 X(o=-3.3,f=-3.3!) USER MOD Single : A 81 LYS NZ :NH3+ -129:sc= 0.153 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 26:sc= 0.146 USER MOD Single : A 83 MET CE :methyl 172:sc= -1.66 (180deg=-2.02!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 88 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 THR OG1 : rot -41:sc= 1.11 USER MOD Single : A 94 GLN : amide:sc= -0.086 K(o=-0.086,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.707 27.423 -8.963 1.00 0.00 N ATOM 2 CA GLY A 1 -3.833 26.667 -9.479 1.00 0.00 C ATOM 3 C GLY A 1 -3.841 25.232 -8.991 1.00 0.00 C ATOM 4 O GLY A 1 -2.824 24.726 -8.514 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.037 28.079 -8.227 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.008 26.770 -8.556 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.268 27.963 -9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.761 27.154 -9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.804 26.677 -10.569 1.00 0.00 H new ATOM 8 N SER A 2 -4.990 24.575 -9.107 1.00 0.00 N ATOM 9 CA SER A 2 -5.127 23.191 -8.669 1.00 0.00 C ATOM 10 C SER A 2 -5.900 22.369 -9.696 1.00 0.00 C ATOM 11 O SER A 2 -6.864 22.849 -10.292 1.00 0.00 O ATOM 12 CB SER A 2 -5.834 23.131 -7.313 1.00 0.00 C ATOM 13 OG SER A 2 -7.101 23.763 -7.371 1.00 0.00 O ATOM 0 H SER A 2 -5.840 24.979 -9.501 1.00 0.00 H new ATOM 0 HA SER A 2 -4.128 22.767 -8.569 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.956 22.092 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.217 23.615 -6.556 1.00 0.00 H new ATOM 0 HG SER A 2 -7.534 23.710 -6.493 1.00 0.00 H new ATOM 19 N SER A 3 -5.470 21.128 -9.897 1.00 0.00 N ATOM 20 CA SER A 3 -6.118 20.240 -10.854 1.00 0.00 C ATOM 21 C SER A 3 -6.022 18.787 -10.399 1.00 0.00 C ATOM 22 O SER A 3 -5.340 18.474 -9.424 1.00 0.00 O ATOM 23 CB SER A 3 -5.484 20.396 -12.237 1.00 0.00 C ATOM 24 OG SER A 3 -5.751 21.678 -12.779 1.00 0.00 O ATOM 0 H SER A 3 -4.675 20.715 -9.410 1.00 0.00 H new ATOM 0 HA SER A 3 -7.171 20.515 -10.912 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.407 20.245 -12.166 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.870 19.627 -12.906 1.00 0.00 H new ATOM 0 HG SER A 3 -5.334 21.753 -13.662 1.00 0.00 H new ATOM 30 N GLY A 4 -6.711 17.902 -11.114 1.00 0.00 N ATOM 31 CA GLY A 4 -6.690 16.492 -10.769 1.00 0.00 C ATOM 32 C GLY A 4 -6.805 15.596 -11.986 1.00 0.00 C ATOM 33 O GLY A 4 -7.342 16.002 -13.016 1.00 0.00 O ATOM 0 H GLY A 4 -7.283 18.136 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.765 16.264 -10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.510 16.276 -10.084 1.00 0.00 H new ATOM 37 N SER A 5 -6.297 14.373 -11.868 1.00 0.00 N ATOM 38 CA SER A 5 -6.340 13.418 -12.969 1.00 0.00 C ATOM 39 C SER A 5 -6.821 12.053 -12.486 1.00 0.00 C ATOM 40 O SER A 5 -6.915 11.806 -11.284 1.00 0.00 O ATOM 41 CB SER A 5 -4.959 13.287 -13.613 1.00 0.00 C ATOM 42 OG SER A 5 -4.768 14.271 -14.615 1.00 0.00 O ATOM 0 H SER A 5 -5.851 14.020 -11.021 1.00 0.00 H new ATOM 0 HA SER A 5 -7.045 13.790 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.187 13.386 -12.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.850 12.294 -14.049 1.00 0.00 H new ATOM 0 HG SER A 5 -3.877 14.167 -15.010 1.00 0.00 H new ATOM 48 N SER A 6 -7.122 11.170 -13.433 1.00 0.00 N ATOM 49 CA SER A 6 -7.597 9.831 -13.105 1.00 0.00 C ATOM 50 C SER A 6 -6.615 8.771 -13.598 1.00 0.00 C ATOM 51 O SER A 6 -6.180 8.800 -14.748 1.00 0.00 O ATOM 52 CB SER A 6 -8.976 9.590 -13.721 1.00 0.00 C ATOM 53 OG SER A 6 -9.358 8.231 -13.601 1.00 0.00 O ATOM 0 H SER A 6 -7.045 11.358 -14.433 1.00 0.00 H new ATOM 0 HA SER A 6 -7.674 9.755 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.714 10.223 -13.228 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.963 9.876 -14.773 1.00 0.00 H new ATOM 0 HG SER A 6 -10.244 8.104 -14.001 1.00 0.00 H new ATOM 59 N GLY A 7 -6.272 7.836 -12.718 1.00 0.00 N ATOM 60 CA GLY A 7 -5.344 6.780 -13.081 1.00 0.00 C ATOM 61 C GLY A 7 -4.859 5.997 -11.878 1.00 0.00 C ATOM 62 O GLY A 7 -5.430 4.963 -11.529 1.00 0.00 O ATOM 0 H GLY A 7 -6.620 7.790 -11.760 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.828 6.100 -13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.488 7.214 -13.597 1.00 0.00 H new ATOM 66 N VAL A 8 -3.800 6.487 -11.242 1.00 0.00 N ATOM 67 CA VAL A 8 -3.237 5.825 -10.071 1.00 0.00 C ATOM 68 C VAL A 8 -3.996 6.207 -8.805 1.00 0.00 C ATOM 69 O VAL A 8 -4.235 7.386 -8.542 1.00 0.00 O ATOM 70 CB VAL A 8 -1.748 6.177 -9.889 1.00 0.00 C ATOM 71 CG1 VAL A 8 -1.169 5.446 -8.687 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.965 5.848 -11.151 1.00 0.00 C ATOM 0 H VAL A 8 -3.314 7.340 -11.518 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.332 4.752 -10.238 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.666 7.248 -9.706 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.117 5.707 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.713 5.736 -7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.262 4.370 -8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.085 6.103 -11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.053 4.783 -11.367 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.365 6.422 -11.987 1.00 0.00 H new ATOM 82 N THR A 9 -4.374 5.201 -8.022 1.00 0.00 N ATOM 83 CA THR A 9 -5.107 5.431 -6.784 1.00 0.00 C ATOM 84 C THR A 9 -4.158 5.545 -5.596 1.00 0.00 C ATOM 85 O THR A 9 -3.421 4.609 -5.283 1.00 0.00 O ATOM 86 CB THR A 9 -6.118 4.300 -6.512 1.00 0.00 C ATOM 87 OG1 THR A 9 -7.011 4.164 -7.622 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.913 4.579 -5.245 1.00 0.00 C ATOM 0 H THR A 9 -4.184 4.219 -8.224 1.00 0.00 H new ATOM 0 HA THR A 9 -5.647 6.370 -6.906 1.00 0.00 H new ATOM 0 HB THR A 9 -5.564 3.371 -6.377 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.649 3.442 -7.442 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.620 3.768 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.232 4.653 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.457 5.517 -5.356 1.00 0.00 H new ATOM 96 N THR A 10 -4.180 6.698 -4.935 1.00 0.00 N ATOM 97 CA THR A 10 -3.322 6.936 -3.782 1.00 0.00 C ATOM 98 C THR A 10 -4.104 6.812 -2.480 1.00 0.00 C ATOM 99 O THR A 10 -5.287 7.148 -2.421 1.00 0.00 O ATOM 100 CB THR A 10 -2.668 8.329 -3.845 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.977 8.490 -5.089 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.697 8.524 -2.690 1.00 0.00 C ATOM 0 H THR A 10 -4.784 7.483 -5.179 1.00 0.00 H new ATOM 0 HA THR A 10 -2.541 6.176 -3.807 1.00 0.00 H new ATOM 0 HB THR A 10 -3.455 9.079 -3.767 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.565 9.379 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.248 9.515 -2.756 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.232 8.430 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.915 7.767 -2.741 1.00 0.00 H new ATOM 110 N ALA A 11 -3.436 6.329 -1.437 1.00 0.00 N ATOM 111 CA ALA A 11 -4.069 6.165 -0.134 1.00 0.00 C ATOM 112 C ALA A 11 -3.103 6.512 0.993 1.00 0.00 C ATOM 113 O ALA A 11 -1.894 6.307 0.873 1.00 0.00 O ATOM 114 CB ALA A 11 -4.582 4.741 0.027 1.00 0.00 C ATOM 0 H ALA A 11 -2.457 6.045 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.913 6.853 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.052 4.632 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.312 4.527 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.749 4.043 -0.055 1.00 0.00 H new ATOM 120 N ILE A 12 -3.642 7.038 2.088 1.00 0.00 N ATOM 121 CA ILE A 12 -2.827 7.413 3.236 1.00 0.00 C ATOM 122 C ILE A 12 -3.310 6.717 4.504 1.00 0.00 C ATOM 123 O ILE A 12 -4.511 6.647 4.766 1.00 0.00 O ATOM 124 CB ILE A 12 -2.841 8.936 3.463 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.605 9.672 2.143 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.788 9.328 4.490 1.00 0.00 C ATOM 127 CD1 ILE A 12 -1.210 9.484 1.587 1.00 0.00 C ATOM 0 H ILE A 12 -4.640 7.214 2.204 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.808 7.096 3.016 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.820 9.223 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.330 9.324 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.788 10.736 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.810 10.407 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.997 8.826 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.802 9.031 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.114 10.034 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.479 9.858 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.030 8.424 1.406 1.00 0.00 H new ATOM 139 N ILE A 13 -2.367 6.206 5.288 1.00 0.00 N ATOM 140 CA ILE A 13 -2.697 5.518 6.530 1.00 0.00 C ATOM 141 C ILE A 13 -2.123 6.255 7.736 1.00 0.00 C ATOM 142 O ILE A 13 -1.060 6.872 7.651 1.00 0.00 O ATOM 143 CB ILE A 13 -2.171 4.071 6.529 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.484 3.393 5.194 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.778 3.286 7.683 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.955 3.102 4.993 1.00 0.00 C ATOM 0 H ILE A 13 -1.369 6.255 5.085 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.785 5.500 6.602 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.089 4.093 6.659 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.134 4.030 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.925 2.459 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.397 2.265 7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.510 3.761 8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.863 3.269 7.581 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.102 2.621 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.306 2.440 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.518 4.035 5.024 1.00 0.00 H new ATOM 158 N HIS A 14 -2.831 6.184 8.858 1.00 0.00 N ATOM 159 CA HIS A 14 -2.390 6.843 10.083 1.00 0.00 C ATOM 160 C HIS A 14 -1.816 5.829 11.068 1.00 0.00 C ATOM 161 O HIS A 14 -2.558 5.117 11.744 1.00 0.00 O ATOM 162 CB HIS A 14 -3.553 7.596 10.729 1.00 0.00 C ATOM 163 CG HIS A 14 -3.739 8.983 10.194 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.698 9.871 10.027 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.854 9.632 9.786 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.165 11.008 9.541 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.471 10.888 9.385 1.00 0.00 N ATOM 0 H HIS A 14 -3.712 5.677 8.945 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.606 7.554 9.822 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.472 7.030 10.575 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.388 7.650 11.805 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.859 9.236 9.777 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.579 11.885 9.311 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.094 11.611 9.025 1.00 0.00 H new ATOM 175 N ARG A 15 -0.490 5.770 11.143 1.00 0.00 N ATOM 176 CA ARG A 15 0.183 4.842 12.044 1.00 0.00 C ATOM 177 C ARG A 15 1.005 5.596 13.085 1.00 0.00 C ATOM 178 O ARG A 15 2.218 5.765 12.952 1.00 0.00 O ATOM 179 CB ARG A 15 1.088 3.896 11.252 1.00 0.00 C ATOM 180 CG ARG A 15 0.327 2.827 10.484 1.00 0.00 C ATOM 181 CD ARG A 15 1.267 1.953 9.668 1.00 0.00 C ATOM 182 NE ARG A 15 1.785 0.831 10.447 1.00 0.00 N ATOM 183 CZ ARG A 15 2.856 0.911 11.228 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.519 2.054 11.334 1.00 0.00 N ATOM 185 NH2 ARG A 15 3.266 -0.155 11.905 1.00 0.00 N ATOM 0 H ARG A 15 0.139 6.353 10.591 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.579 4.258 12.560 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.685 4.480 10.551 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.784 3.413 11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.235 2.206 11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.399 3.300 9.822 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.741 1.574 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.099 2.556 9.304 1.00 0.00 H new ATOM 0 HE ARG A 15 1.297 -0.063 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.207 2.875 10.815 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.341 2.113 11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.758 -1.036 11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.089 -0.093 12.505 1.00 0.00 H new ATOM 199 N PRO A 16 0.331 6.061 14.148 1.00 0.00 N ATOM 200 CA PRO A 16 0.979 6.804 15.232 1.00 0.00 C ATOM 201 C PRO A 16 1.893 5.921 16.075 1.00 0.00 C ATOM 202 O PRO A 16 2.797 6.412 16.751 1.00 0.00 O ATOM 203 CB PRO A 16 -0.199 7.308 16.070 1.00 0.00 C ATOM 204 CG PRO A 16 -1.299 6.342 15.796 1.00 0.00 C ATOM 205 CD PRO A 16 -1.115 5.897 14.372 1.00 0.00 C ATOM 0 HA PRO A 16 1.622 7.599 14.854 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.051 7.332 17.131 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.482 8.321 15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.252 5.494 16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.273 6.810 15.936 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.429 4.863 14.230 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.700 6.505 13.682 1.00 0.00 H new ATOM 213 N HIS A 17 1.651 4.615 16.031 1.00 0.00 N ATOM 214 CA HIS A 17 2.453 3.662 16.790 1.00 0.00 C ATOM 215 C HIS A 17 3.095 2.633 15.865 1.00 0.00 C ATOM 216 O HIS A 17 2.506 2.233 14.862 1.00 0.00 O ATOM 217 CB HIS A 17 1.591 2.956 17.837 1.00 0.00 C ATOM 218 CG HIS A 17 2.344 2.571 19.073 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.653 1.266 19.390 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.851 3.330 20.073 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.317 1.237 20.532 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.451 2.477 20.966 1.00 0.00 N ATOM 0 H HIS A 17 0.906 4.192 15.478 1.00 0.00 H new ATOM 0 HA HIS A 17 3.245 4.214 17.295 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.764 3.609 18.114 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.156 2.061 17.393 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.794 4.406 20.153 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.687 0.351 21.026 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.924 2.756 21.826 1.00 0.00 H new ATOM 230 N ALA A 18 4.307 2.209 16.209 1.00 0.00 N ATOM 231 CA ALA A 18 5.028 1.226 15.410 1.00 0.00 C ATOM 232 C ALA A 18 4.678 -0.194 15.840 1.00 0.00 C ATOM 233 O ALA A 18 4.588 -1.100 15.011 1.00 0.00 O ATOM 234 CB ALA A 18 6.528 1.457 15.517 1.00 0.00 C ATOM 0 H ALA A 18 4.810 2.531 17.036 1.00 0.00 H new ATOM 0 HA ALA A 18 4.726 1.348 14.370 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.054 0.716 14.915 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.769 2.456 15.154 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.837 1.365 16.558 1.00 0.00 H new ATOM 240 N ARG A 19 4.482 -0.382 17.141 1.00 0.00 N ATOM 241 CA ARG A 19 4.143 -1.694 17.681 1.00 0.00 C ATOM 242 C ARG A 19 2.643 -1.953 17.578 1.00 0.00 C ATOM 243 O ARG A 19 2.073 -2.680 18.391 1.00 0.00 O ATOM 244 CB ARG A 19 4.591 -1.799 19.140 1.00 0.00 C ATOM 245 CG ARG A 19 6.040 -2.229 19.303 1.00 0.00 C ATOM 246 CD ARG A 19 6.588 -1.836 20.666 1.00 0.00 C ATOM 247 NE ARG A 19 7.878 -2.463 20.939 1.00 0.00 N ATOM 248 CZ ARG A 19 8.023 -3.753 21.221 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.964 -4.548 21.266 1.00 0.00 N ATOM 250 NH2 ARG A 19 9.231 -4.249 21.458 1.00 0.00 N ATOM 0 H ARG A 19 4.552 0.357 17.841 1.00 0.00 H new ATOM 0 HA ARG A 19 4.665 -2.448 17.092 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.451 -0.833 19.625 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.949 -2.511 19.658 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.117 -3.309 19.177 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.646 -1.773 18.521 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.694 -0.752 20.715 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.875 -2.122 21.439 1.00 0.00 H new ATOM 0 HE ARG A 19 8.714 -1.879 20.912 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.034 -4.170 21.084 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.078 -5.538 21.483 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.048 -3.640 21.424 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.342 -5.240 21.675 1.00 0.00 H new ATOM 264 N GLU A 20 2.012 -1.354 16.574 1.00 0.00 N ATOM 265 CA GLU A 20 0.578 -1.519 16.367 1.00 0.00 C ATOM 266 C GLU A 20 0.294 -2.145 15.004 1.00 0.00 C ATOM 267 O GLU A 20 0.833 -1.710 13.987 1.00 0.00 O ATOM 268 CB GLU A 20 -0.136 -0.171 16.480 1.00 0.00 C ATOM 269 CG GLU A 20 -0.402 0.259 17.913 1.00 0.00 C ATOM 270 CD GLU A 20 -1.418 -0.627 18.608 1.00 0.00 C ATOM 271 OE1 GLU A 20 -2.486 -0.885 18.014 1.00 0.00 O ATOM 272 OE2 GLU A 20 -1.145 -1.062 19.746 1.00 0.00 O ATOM 0 H GLU A 20 2.470 -0.750 15.891 1.00 0.00 H new ATOM 0 HA GLU A 20 0.200 -2.187 17.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.466 0.592 15.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.084 -0.225 15.944 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.533 0.242 18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.759 1.289 17.919 1.00 0.00 H new ATOM 279 N GLN A 21 -0.555 -3.167 14.994 1.00 0.00 N ATOM 280 CA GLN A 21 -0.910 -3.853 13.757 1.00 0.00 C ATOM 281 C GLN A 21 -1.218 -2.852 12.648 1.00 0.00 C ATOM 282 O GLN A 21 -1.309 -1.648 12.892 1.00 0.00 O ATOM 283 CB GLN A 21 -2.115 -4.767 13.983 1.00 0.00 C ATOM 284 CG GLN A 21 -1.783 -6.029 14.763 1.00 0.00 C ATOM 285 CD GLN A 21 -3.015 -6.841 15.111 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.080 -6.659 14.521 1.00 0.00 O ATOM 287 NE2 GLN A 21 -2.876 -7.744 16.075 1.00 0.00 N ATOM 0 H GLN A 21 -1.010 -3.538 15.828 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.057 -4.458 13.450 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.886 -4.212 14.517 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.535 -5.047 13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.100 -6.645 14.177 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.260 -5.758 15.680 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.975 -7.862 16.538 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.671 -8.320 16.353 1.00 0.00 H new ATOM 296 N LEU A 22 -1.376 -3.356 11.430 1.00 0.00 N ATOM 297 CA LEU A 22 -1.673 -2.506 10.282 1.00 0.00 C ATOM 298 C LEU A 22 -3.145 -2.610 9.894 1.00 0.00 C ATOM 299 O LEU A 22 -3.814 -1.600 9.681 1.00 0.00 O ATOM 300 CB LEU A 22 -0.792 -2.894 9.093 1.00 0.00 C ATOM 301 CG LEU A 22 0.587 -2.236 9.037 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.588 -3.153 8.352 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.510 -0.896 8.320 1.00 0.00 C ATOM 0 H LEU A 22 -1.303 -4.350 11.211 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.462 -1.474 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.656 -3.975 9.105 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.327 -2.650 8.175 1.00 0.00 H new ATOM 0 HG LEU A 22 0.926 -2.060 10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.564 -2.668 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.665 -4.088 8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.254 -3.361 7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.501 -0.442 8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.149 -1.048 7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.175 -0.237 8.853 1.00 0.00 H new ATOM 315 N GLY A 23 -3.643 -3.839 9.806 1.00 0.00 N ATOM 316 CA GLY A 23 -5.033 -4.053 9.447 1.00 0.00 C ATOM 317 C GLY A 23 -5.186 -4.733 8.101 1.00 0.00 C ATOM 318 O GLY A 23 -5.992 -5.651 7.949 1.00 0.00 O ATOM 0 H GLY A 23 -3.109 -4.691 9.977 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.514 -4.660 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.552 -3.095 9.427 1.00 0.00 H new ATOM 322 N PHE A 24 -4.411 -4.282 7.120 1.00 0.00 N ATOM 323 CA PHE A 24 -4.465 -4.852 5.779 1.00 0.00 C ATOM 324 C PHE A 24 -3.355 -5.879 5.579 1.00 0.00 C ATOM 325 O PHE A 24 -2.233 -5.697 6.054 1.00 0.00 O ATOM 326 CB PHE A 24 -4.349 -3.747 4.727 1.00 0.00 C ATOM 327 CG PHE A 24 -3.047 -3.000 4.784 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.826 -2.041 5.759 1.00 0.00 C ATOM 329 CD2 PHE A 24 -2.045 -3.257 3.862 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.629 -1.352 5.813 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.846 -2.571 3.911 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.637 -1.618 4.889 1.00 0.00 C ATOM 0 H PHE A 24 -3.738 -3.523 7.229 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.425 -5.355 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.464 -4.186 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.169 -3.042 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.597 -1.829 6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.203 -4.002 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.469 -0.606 6.577 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.074 -2.780 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.300 -1.082 4.931 1.00 0.00 H new ATOM 342 N CYS A 25 -3.675 -6.958 4.873 1.00 0.00 N ATOM 343 CA CYS A 25 -2.706 -8.016 4.611 1.00 0.00 C ATOM 344 C CYS A 25 -2.173 -7.923 3.185 1.00 0.00 C ATOM 345 O CYS A 25 -2.940 -7.929 2.222 1.00 0.00 O ATOM 346 CB CYS A 25 -3.341 -9.387 4.842 1.00 0.00 C ATOM 347 SG CYS A 25 -2.167 -10.672 5.331 1.00 0.00 S ATOM 0 H CYS A 25 -4.598 -7.123 4.472 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.872 -7.890 5.301 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.106 -9.296 5.614 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.846 -9.700 3.928 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.800 -11.794 5.505 1.00 0.00 H new ATOM 353 N VAL A 26 -0.852 -7.835 3.057 1.00 0.00 N ATOM 354 CA VAL A 26 -0.216 -7.740 1.748 1.00 0.00 C ATOM 355 C VAL A 26 0.528 -9.026 1.404 1.00 0.00 C ATOM 356 O VAL A 26 1.343 -9.511 2.188 1.00 0.00 O ATOM 357 CB VAL A 26 0.770 -6.558 1.688 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.523 -6.557 0.367 1.00 0.00 C ATOM 359 CG2 VAL A 26 0.036 -5.242 1.894 1.00 0.00 C ATOM 0 H VAL A 26 -0.202 -7.828 3.843 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.011 -7.578 1.020 1.00 0.00 H new ATOM 0 HB VAL A 26 1.497 -6.672 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.215 -5.715 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.081 -7.488 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.814 -6.467 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.748 -4.418 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.714 -5.118 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.452 -5.246 2.868 1.00 0.00 H new ATOM 369 N GLU A 27 0.241 -9.572 0.227 1.00 0.00 N ATOM 370 CA GLU A 27 0.884 -10.802 -0.220 1.00 0.00 C ATOM 371 C GLU A 27 1.648 -10.575 -1.522 1.00 0.00 C ATOM 372 O GLU A 27 1.054 -10.281 -2.559 1.00 0.00 O ATOM 373 CB GLU A 27 -0.158 -11.906 -0.414 1.00 0.00 C ATOM 374 CG GLU A 27 -0.829 -12.343 0.878 1.00 0.00 C ATOM 375 CD GLU A 27 -1.332 -13.772 0.819 1.00 0.00 C ATOM 376 OE1 GLU A 27 -0.561 -14.687 1.175 1.00 0.00 O ATOM 377 OE2 GLU A 27 -2.497 -13.976 0.417 1.00 0.00 O ATOM 0 H GLU A 27 -0.432 -9.183 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 27 1.593 -11.111 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.921 -11.556 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.321 -12.770 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.122 -12.244 1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.664 -11.676 1.093 1.00 0.00 H new ATOM 384 N ASP A 28 2.967 -10.713 -1.458 1.00 0.00 N ATOM 385 CA ASP A 28 3.814 -10.524 -2.630 1.00 0.00 C ATOM 386 C ASP A 28 3.676 -9.106 -3.177 1.00 0.00 C ATOM 387 O ASP A 28 3.899 -8.863 -4.362 1.00 0.00 O ATOM 388 CB ASP A 28 3.453 -11.539 -3.715 1.00 0.00 C ATOM 389 CG ASP A 28 4.145 -12.873 -3.512 1.00 0.00 C ATOM 390 OD1 ASP A 28 4.434 -13.221 -2.348 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.396 -13.570 -4.517 1.00 0.00 O ATOM 0 H ASP A 28 3.474 -10.955 -0.607 1.00 0.00 H new ATOM 0 HA ASP A 28 4.850 -10.679 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.374 -11.690 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.725 -11.136 -4.691 1.00 0.00 H new ATOM 396 N GLY A 29 3.305 -8.174 -2.304 1.00 0.00 N ATOM 397 CA GLY A 29 3.142 -6.793 -2.718 1.00 0.00 C ATOM 398 C GLY A 29 1.747 -6.503 -3.236 1.00 0.00 C ATOM 399 O GLY A 29 1.539 -5.539 -3.972 1.00 0.00 O ATOM 0 H GLY A 29 3.115 -8.351 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.357 -6.137 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.870 -6.562 -3.495 1.00 0.00 H new ATOM 403 N ILE A 30 0.790 -7.341 -2.852 1.00 0.00 N ATOM 404 CA ILE A 30 -0.592 -7.170 -3.283 1.00 0.00 C ATOM 405 C ILE A 30 -1.563 -7.456 -2.142 1.00 0.00 C ATOM 406 O ILE A 30 -1.644 -8.582 -1.650 1.00 0.00 O ATOM 407 CB ILE A 30 -0.929 -8.090 -4.471 1.00 0.00 C ATOM 408 CG1 ILE A 30 -0.105 -7.696 -5.699 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.417 -8.028 -4.784 1.00 0.00 C ATOM 410 CD1 ILE A 30 0.042 -8.810 -6.711 1.00 0.00 C ATOM 0 H ILE A 30 0.946 -8.145 -2.244 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.699 -6.131 -3.596 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.677 -9.115 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.574 -6.838 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.886 -7.378 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.639 -8.684 -5.626 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.986 -8.351 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.693 -7.005 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.637 -8.459 -7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.538 -9.661 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.944 -9.113 -7.064 1.00 0.00 H new ATOM 422 N ILE A 31 -2.299 -6.430 -1.728 1.00 0.00 N ATOM 423 CA ILE A 31 -3.267 -6.572 -0.648 1.00 0.00 C ATOM 424 C ILE A 31 -4.345 -7.589 -1.006 1.00 0.00 C ATOM 425 O ILE A 31 -4.781 -7.669 -2.155 1.00 0.00 O ATOM 426 CB ILE A 31 -3.938 -5.227 -0.312 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.878 -4.150 -0.070 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.839 -5.373 0.905 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.358 -2.749 -0.379 1.00 0.00 C ATOM 0 H ILE A 31 -2.243 -5.492 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.716 -6.922 0.225 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.552 -4.923 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.558 -4.194 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.003 -4.369 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.306 -4.414 1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.612 -6.113 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.246 -5.697 1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.555 -2.038 -0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.651 -2.688 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.214 -2.510 0.252 1.00 0.00 H new ATOM 441 N CYS A 32 -4.773 -8.363 -0.014 1.00 0.00 N ATOM 442 CA CYS A 32 -5.802 -9.376 -0.224 1.00 0.00 C ATOM 443 C CYS A 32 -6.971 -9.169 0.733 1.00 0.00 C ATOM 444 O CYS A 32 -8.131 -9.170 0.322 1.00 0.00 O ATOM 445 CB CYS A 32 -5.215 -10.775 -0.036 1.00 0.00 C ATOM 446 SG CYS A 32 -6.393 -12.115 -0.330 1.00 0.00 S ATOM 0 H CYS A 32 -4.424 -8.308 0.943 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.170 -9.279 -1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.368 -10.896 -0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.828 -10.862 0.979 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.803 -13.259 -0.148 1.00 0.00 H new ATOM 452 N SER A 33 -6.657 -8.992 2.013 1.00 0.00 N ATOM 453 CA SER A 33 -7.682 -8.790 3.030 1.00 0.00 C ATOM 454 C SER A 33 -7.460 -7.475 3.771 1.00 0.00 C ATOM 455 O SER A 33 -6.340 -6.964 3.831 1.00 0.00 O ATOM 456 CB SER A 33 -7.683 -9.954 4.023 1.00 0.00 C ATOM 457 OG SER A 33 -8.816 -9.899 4.872 1.00 0.00 O ATOM 0 H SER A 33 -5.701 -8.984 2.370 1.00 0.00 H new ATOM 0 HA SER A 33 -8.650 -8.747 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.677 -10.899 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.773 -9.925 4.623 1.00 0.00 H new ATOM 0 HG SER A 33 -8.794 -10.654 5.496 1.00 0.00 H new ATOM 463 N LEU A 34 -8.533 -6.932 4.335 1.00 0.00 N ATOM 464 CA LEU A 34 -8.457 -5.676 5.073 1.00 0.00 C ATOM 465 C LEU A 34 -9.223 -5.770 6.389 1.00 0.00 C ATOM 466 O LEU A 34 -10.338 -6.292 6.434 1.00 0.00 O ATOM 467 CB LEU A 34 -9.013 -4.529 4.227 1.00 0.00 C ATOM 468 CG LEU A 34 -8.407 -3.150 4.484 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.794 -2.182 3.377 1.00 0.00 C ATOM 470 CD2 LEU A 34 -8.848 -2.617 5.839 1.00 0.00 C ATOM 0 H LEU A 34 -9.466 -7.342 4.295 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.409 -5.479 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.869 -4.777 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.088 -4.468 4.395 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.321 -3.247 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.353 -1.205 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.427 -2.557 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.879 -2.089 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.407 -1.634 6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.935 -2.535 5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.519 -3.299 6.623 1.00 0.00 H new ATOM 482 N LEU A 35 -8.619 -5.260 7.457 1.00 0.00 N ATOM 483 CA LEU A 35 -9.245 -5.285 8.774 1.00 0.00 C ATOM 484 C LEU A 35 -10.469 -4.376 8.812 1.00 0.00 C ATOM 485 O LEU A 35 -10.357 -3.160 8.652 1.00 0.00 O ATOM 486 CB LEU A 35 -8.242 -4.853 9.845 1.00 0.00 C ATOM 487 CG LEU A 35 -8.707 -4.992 11.295 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.520 -6.421 11.781 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.956 -4.019 12.192 1.00 0.00 C ATOM 0 H LEU A 35 -7.697 -4.824 7.436 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.567 -6.306 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.331 -5.439 9.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.978 -3.811 9.668 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.769 -4.751 11.340 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.856 -6.501 12.815 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.104 -7.097 11.156 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.466 -6.691 11.721 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.300 -4.132 13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.887 -4.228 12.142 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.142 -2.998 11.858 1.00 0.00 H new ATOM 501 N ARG A 36 -11.637 -4.973 9.027 1.00 0.00 N ATOM 502 CA ARG A 36 -12.882 -4.217 9.087 1.00 0.00 C ATOM 503 C ARG A 36 -12.962 -3.403 10.376 1.00 0.00 C ATOM 504 O ARG A 36 -13.178 -3.952 11.456 1.00 0.00 O ATOM 505 CB ARG A 36 -14.082 -5.161 8.992 1.00 0.00 C ATOM 506 CG ARG A 36 -15.365 -4.473 8.557 1.00 0.00 C ATOM 507 CD ARG A 36 -16.523 -5.455 8.473 1.00 0.00 C ATOM 508 NE ARG A 36 -16.572 -6.134 7.181 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.556 -6.949 6.816 1.00 0.00 C ATOM 510 NH1 ARG A 36 -18.567 -7.184 7.640 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.529 -7.530 5.623 1.00 0.00 N ATOM 0 H ARG A 36 -11.747 -5.978 9.163 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.902 -3.530 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.851 -5.959 8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.242 -5.630 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.610 -3.679 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.215 -4.002 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.429 -6.195 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.461 -4.925 8.640 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.809 -5.974 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.591 -6.739 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.321 -7.810 7.357 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.753 -7.351 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.284 -8.156 5.343 1.00 0.00 H new ATOM 525 N GLY A 37 -12.787 -2.091 10.253 1.00 0.00 N ATOM 526 CA GLY A 37 -12.842 -1.223 11.415 1.00 0.00 C ATOM 527 C GLY A 37 -11.466 -0.889 11.956 1.00 0.00 C ATOM 528 O GLY A 37 -11.247 -0.901 13.166 1.00 0.00 O ATOM 0 H GLY A 37 -12.608 -1.614 9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.359 -0.300 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.429 -1.705 12.197 1.00 0.00 H new ATOM 532 N GLY A 38 -10.534 -0.592 11.055 1.00 0.00 N ATOM 533 CA GLY A 38 -9.183 -0.260 11.468 1.00 0.00 C ATOM 534 C GLY A 38 -8.710 1.062 10.895 1.00 0.00 C ATOM 535 O GLY A 38 -9.502 1.988 10.718 1.00 0.00 O ATOM 0 H GLY A 38 -10.691 -0.575 10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.139 -0.217 12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.505 -1.053 11.153 1.00 0.00 H new ATOM 539 N ILE A 39 -7.417 1.150 10.605 1.00 0.00 N ATOM 540 CA ILE A 39 -6.840 2.368 10.049 1.00 0.00 C ATOM 541 C ILE A 39 -6.909 2.363 8.525 1.00 0.00 C ATOM 542 O ILE A 39 -7.341 3.337 7.911 1.00 0.00 O ATOM 543 CB ILE A 39 -5.374 2.546 10.485 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.201 2.137 11.949 1.00 0.00 C ATOM 545 CG2 ILE A 39 -4.931 3.987 10.276 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.755 1.979 12.365 1.00 0.00 C ATOM 0 H ILE A 39 -6.749 0.393 10.746 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.429 3.201 10.434 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.747 1.900 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.674 2.885 12.585 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.725 1.196 12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.893 4.097 10.589 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.022 4.246 9.221 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.561 4.651 10.868 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.708 1.688 13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.283 1.210 11.754 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.231 2.925 12.227 1.00 0.00 H new ATOM 558 N ALA A 40 -6.482 1.259 7.923 1.00 0.00 N ATOM 559 CA ALA A 40 -6.498 1.125 6.471 1.00 0.00 C ATOM 560 C ALA A 40 -7.838 1.570 5.894 1.00 0.00 C ATOM 561 O ALA A 40 -7.906 2.534 5.134 1.00 0.00 O ATOM 562 CB ALA A 40 -6.200 -0.312 6.070 1.00 0.00 C ATOM 0 H ALA A 40 -6.120 0.444 8.418 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.722 1.773 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.215 -0.397 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.216 -0.597 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.955 -0.973 6.496 1.00 0.00 H new ATOM 568 N GLU A 41 -8.900 0.860 6.261 1.00 0.00 N ATOM 569 CA GLU A 41 -10.237 1.182 5.778 1.00 0.00 C ATOM 570 C GLU A 41 -10.465 2.691 5.772 1.00 0.00 C ATOM 571 O GLU A 41 -10.899 3.260 4.770 1.00 0.00 O ATOM 572 CB GLU A 41 -11.296 0.499 6.646 1.00 0.00 C ATOM 573 CG GLU A 41 -12.652 0.378 5.971 1.00 0.00 C ATOM 574 CD GLU A 41 -13.556 -0.631 6.652 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.092 -1.761 6.913 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.726 -0.291 6.924 1.00 0.00 O ATOM 0 H GLU A 41 -8.860 0.059 6.891 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.324 0.815 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.944 -0.497 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.410 1.060 7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.140 1.353 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.511 0.089 4.930 1.00 0.00 H new ATOM 583 N ARG A 42 -10.170 3.332 6.898 1.00 0.00 N ATOM 584 CA ARG A 42 -10.344 4.774 7.025 1.00 0.00 C ATOM 585 C ARG A 42 -9.387 5.520 6.099 1.00 0.00 C ATOM 586 O ARG A 42 -9.725 6.572 5.558 1.00 0.00 O ATOM 587 CB ARG A 42 -10.115 5.212 8.473 1.00 0.00 C ATOM 588 CG ARG A 42 -11.244 4.822 9.412 1.00 0.00 C ATOM 589 CD ARG A 42 -10.788 4.827 10.863 1.00 0.00 C ATOM 590 NE ARG A 42 -11.791 4.249 11.754 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.534 3.864 12.999 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.312 3.995 13.498 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.499 3.347 13.748 1.00 0.00 N ATOM 0 H ARG A 42 -9.809 2.875 7.736 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.366 5.018 6.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.185 4.773 8.834 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.988 6.294 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.077 5.514 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.612 3.830 9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.858 4.266 10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.575 5.850 11.172 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.741 4.135 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.567 4.392 12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.117 3.699 14.454 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.440 3.245 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.300 3.052 14.704 1.00 0.00 H new ATOM 607 N GLY A 43 -8.191 4.968 5.924 1.00 0.00 N ATOM 608 CA GLY A 43 -7.204 5.595 5.064 1.00 0.00 C ATOM 609 C GLY A 43 -7.630 5.614 3.610 1.00 0.00 C ATOM 610 O GLY A 43 -7.523 6.639 2.938 1.00 0.00 O ATOM 0 H GLY A 43 -7.888 4.098 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.029 6.617 5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.257 5.063 5.155 1.00 0.00 H new ATOM 614 N GLY A 44 -8.114 4.476 3.121 1.00 0.00 N ATOM 615 CA GLY A 44 -8.549 4.388 1.739 1.00 0.00 C ATOM 616 C GLY A 44 -7.945 3.200 1.016 1.00 0.00 C ATOM 617 O GLY A 44 -7.767 3.232 -0.202 1.00 0.00 O ATOM 0 H GLY A 44 -8.213 3.614 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.636 4.314 1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.276 5.305 1.216 1.00 0.00 H new ATOM 621 N ILE A 45 -7.629 2.151 1.767 1.00 0.00 N ATOM 622 CA ILE A 45 -7.042 0.948 1.190 1.00 0.00 C ATOM 623 C ILE A 45 -8.112 0.055 0.573 1.00 0.00 C ATOM 624 O ILE A 45 -9.216 -0.067 1.106 1.00 0.00 O ATOM 625 CB ILE A 45 -6.261 0.141 2.244 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.178 1.011 2.884 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.647 -1.100 1.613 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.157 1.531 1.896 1.00 0.00 C ATOM 0 H ILE A 45 -7.770 2.110 2.776 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.353 1.276 0.412 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.953 -0.177 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.651 1.856 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.666 0.432 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.098 -1.660 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.437 -1.727 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.965 -0.803 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.420 2.140 2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.657 0.691 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.657 2.137 1.141 1.00 0.00 H new ATOM 640 N ARG A 46 -7.779 -0.568 -0.553 1.00 0.00 N ATOM 641 CA ARG A 46 -8.712 -1.451 -1.242 1.00 0.00 C ATOM 642 C ARG A 46 -8.028 -2.752 -1.652 1.00 0.00 C ATOM 643 O ARG A 46 -7.090 -2.749 -2.449 1.00 0.00 O ATOM 644 CB ARG A 46 -9.288 -0.755 -2.477 1.00 0.00 C ATOM 645 CG ARG A 46 -10.444 0.181 -2.164 1.00 0.00 C ATOM 646 CD ARG A 46 -11.780 -0.544 -2.224 1.00 0.00 C ATOM 647 NE ARG A 46 -12.261 -0.693 -3.594 1.00 0.00 N ATOM 648 CZ ARG A 46 -12.654 0.326 -4.350 1.00 0.00 C ATOM 649 NH1 ARG A 46 -12.622 1.562 -3.871 1.00 0.00 N ATOM 650 NH2 ARG A 46 -13.079 0.110 -5.589 1.00 0.00 N ATOM 0 H ARG A 46 -6.870 -0.477 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.524 -1.688 -0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.496 -0.189 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.625 -1.511 -3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.307 0.612 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.446 1.009 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.679 -1.528 -1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.517 0.006 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.297 -1.631 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.295 1.732 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.924 2.343 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.104 -0.839 -5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.381 0.893 -6.169 1.00 0.00 H new ATOM 664 N VAL A 47 -8.503 -3.864 -1.099 1.00 0.00 N ATOM 665 CA VAL A 47 -7.938 -5.172 -1.407 1.00 0.00 C ATOM 666 C VAL A 47 -8.095 -5.505 -2.887 1.00 0.00 C ATOM 667 O VAL A 47 -9.038 -5.057 -3.537 1.00 0.00 O ATOM 668 CB VAL A 47 -8.602 -6.282 -0.569 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.578 -5.922 0.908 1.00 0.00 C ATOM 670 CG2 VAL A 47 -10.026 -6.527 -1.044 1.00 0.00 C ATOM 0 H VAL A 47 -9.278 -3.885 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.878 -5.124 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.035 -7.203 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.051 -6.717 1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.546 -5.801 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.120 -4.989 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.480 -7.314 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.607 -5.610 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.013 -6.833 -2.090 1.00 0.00 H new ATOM 680 N GLY A 48 -7.164 -6.295 -3.412 1.00 0.00 N ATOM 681 CA GLY A 48 -7.217 -6.675 -4.812 1.00 0.00 C ATOM 682 C GLY A 48 -6.271 -5.859 -5.671 1.00 0.00 C ATOM 683 O GLY A 48 -6.033 -6.191 -6.832 1.00 0.00 O ATOM 0 H GLY A 48 -6.374 -6.679 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.969 -7.732 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.235 -6.551 -5.180 1.00 0.00 H new ATOM 687 N HIS A 49 -5.732 -4.787 -5.100 1.00 0.00 N ATOM 688 CA HIS A 49 -4.807 -3.920 -5.822 1.00 0.00 C ATOM 689 C HIS A 49 -3.361 -4.335 -5.565 1.00 0.00 C ATOM 690 O HIS A 49 -3.078 -5.094 -4.638 1.00 0.00 O ATOM 691 CB HIS A 49 -5.013 -2.463 -5.408 1.00 0.00 C ATOM 692 CG HIS A 49 -6.124 -1.782 -6.147 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.064 -0.464 -6.549 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.327 -2.245 -6.558 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.184 -0.146 -7.173 1.00 0.00 C ATOM 696 NE2 HIS A 49 -7.967 -1.209 -7.193 1.00 0.00 N ATOM 0 H HIS A 49 -5.919 -4.498 -4.140 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.011 -4.019 -6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.221 -2.424 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.087 -1.912 -5.573 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.712 -3.244 -6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.419 0.820 -7.595 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.896 -1.253 -7.612 1.00 0.00 H new ATOM 704 N ARG A 50 -2.450 -3.832 -6.392 1.00 0.00 N ATOM 705 CA ARG A 50 -1.035 -4.152 -6.255 1.00 0.00 C ATOM 706 C ARG A 50 -0.238 -2.922 -5.830 1.00 0.00 C ATOM 707 O ARG A 50 -0.425 -1.831 -6.371 1.00 0.00 O ATOM 708 CB ARG A 50 -0.484 -4.699 -7.574 1.00 0.00 C ATOM 709 CG ARG A 50 0.922 -5.264 -7.458 1.00 0.00 C ATOM 710 CD ARG A 50 1.975 -4.181 -7.635 1.00 0.00 C ATOM 711 NE ARG A 50 3.299 -4.741 -7.889 1.00 0.00 N ATOM 712 CZ ARG A 50 3.706 -5.154 -9.084 1.00 0.00 C ATOM 713 NH1 ARG A 50 2.895 -5.071 -10.129 1.00 0.00 N ATOM 714 NH2 ARG A 50 4.927 -5.653 -9.235 1.00 0.00 N ATOM 0 H ARG A 50 -2.667 -3.201 -7.164 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.934 -4.914 -5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.151 -5.479 -7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.486 -3.902 -8.317 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.046 -5.737 -6.484 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.067 -6.040 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.691 -3.532 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.010 -3.560 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 50 3.947 -4.819 -7.106 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.956 -4.689 -10.017 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.210 -5.389 -11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.554 -5.720 -8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.238 -5.970 -10.153 1.00 0.00 H new ATOM 728 N ILE A 51 0.650 -3.105 -4.859 1.00 0.00 N ATOM 729 CA ILE A 51 1.475 -2.010 -4.362 1.00 0.00 C ATOM 730 C ILE A 51 2.677 -1.773 -5.269 1.00 0.00 C ATOM 731 O ILE A 51 3.619 -2.566 -5.288 1.00 0.00 O ATOM 732 CB ILE A 51 1.972 -2.285 -2.930 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.793 -2.617 -2.013 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.743 -1.086 -2.398 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.311 -1.584 -2.050 1.00 0.00 C ATOM 0 H ILE A 51 0.817 -4.001 -4.401 1.00 0.00 H new ATOM 0 HA ILE A 51 0.847 -1.119 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 51 2.644 -3.143 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.383 -3.586 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.155 -2.713 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.088 -1.295 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.602 -0.891 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.093 -0.211 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.113 -1.885 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.084 -0.618 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.700 -1.504 -3.065 1.00 0.00 H new ATOM 747 N ILE A 52 2.640 -0.676 -6.017 1.00 0.00 N ATOM 748 CA ILE A 52 3.728 -0.332 -6.924 1.00 0.00 C ATOM 749 C ILE A 52 4.715 0.622 -6.261 1.00 0.00 C ATOM 750 O ILE A 52 5.890 0.664 -6.623 1.00 0.00 O ATOM 751 CB ILE A 52 3.199 0.312 -8.219 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.326 1.525 -7.892 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.417 -0.706 -9.036 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.094 2.439 -9.075 1.00 0.00 C ATOM 0 H ILE A 52 1.868 -0.010 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 52 4.238 -1.263 -7.173 1.00 0.00 H new ATOM 0 HB ILE A 52 4.049 0.649 -8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.363 1.179 -7.516 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.795 2.094 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.050 -0.236 -9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.067 -1.541 -9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.573 -1.071 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.467 3.277 -8.770 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.051 2.815 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.597 1.885 -9.871 1.00 0.00 H new ATOM 766 N GLU A 53 4.229 1.386 -5.288 1.00 0.00 N ATOM 767 CA GLU A 53 5.070 2.340 -4.574 1.00 0.00 C ATOM 768 C GLU A 53 4.589 2.519 -3.136 1.00 0.00 C ATOM 769 O GLU A 53 3.424 2.271 -2.825 1.00 0.00 O ATOM 770 CB GLU A 53 5.073 3.690 -5.294 1.00 0.00 C ATOM 771 CG GLU A 53 6.361 4.475 -5.109 1.00 0.00 C ATOM 772 CD GLU A 53 6.497 5.614 -6.101 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.781 5.600 -7.124 1.00 0.00 O ATOM 774 OE2 GLU A 53 7.321 6.520 -5.853 1.00 0.00 O ATOM 0 H GLU A 53 3.258 1.363 -4.976 1.00 0.00 H new ATOM 0 HA GLU A 53 6.086 1.946 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.908 3.525 -6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.237 4.288 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.396 4.875 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.211 3.801 -5.216 1.00 0.00 H new ATOM 781 N ILE A 54 5.495 2.951 -2.266 1.00 0.00 N ATOM 782 CA ILE A 54 5.164 3.164 -0.862 1.00 0.00 C ATOM 783 C ILE A 54 5.994 4.297 -0.268 1.00 0.00 C ATOM 784 O ILE A 54 7.198 4.389 -0.504 1.00 0.00 O ATOM 785 CB ILE A 54 5.389 1.887 -0.031 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.886 1.618 0.135 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.701 0.700 -0.687 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.487 2.275 1.358 1.00 0.00 C ATOM 0 H ILE A 54 6.464 3.160 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 54 4.108 3.431 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 54 4.954 2.033 0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.049 0.542 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.411 1.972 -0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.869 -0.195 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.631 0.893 -0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.109 0.550 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.550 2.041 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.356 3.355 1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.988 1.903 2.253 1.00 0.00 H new ATOM 800 N ASN A 55 5.341 5.158 0.506 1.00 0.00 N ATOM 801 CA ASN A 55 6.018 6.285 1.137 1.00 0.00 C ATOM 802 C ASN A 55 7.083 6.867 0.211 1.00 0.00 C ATOM 803 O ASN A 55 8.154 7.273 0.658 1.00 0.00 O ATOM 804 CB ASN A 55 6.657 5.850 2.457 1.00 0.00 C ATOM 805 CG ASN A 55 5.645 5.264 3.423 1.00 0.00 C ATOM 806 OD1 ASN A 55 4.685 5.928 3.812 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.858 4.013 3.815 1.00 0.00 N ATOM 0 H ASN A 55 4.344 5.097 0.711 1.00 0.00 H new ATOM 0 HA ASN A 55 5.275 7.057 1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.433 5.112 2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.145 6.707 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.212 3.565 4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.668 3.500 3.466 1.00 0.00 H new ATOM 814 N GLY A 56 6.778 6.904 -1.083 1.00 0.00 N ATOM 815 CA GLY A 56 7.718 7.438 -2.051 1.00 0.00 C ATOM 816 C GLY A 56 8.870 6.491 -2.324 1.00 0.00 C ATOM 817 O GLY A 56 10.032 6.896 -2.307 1.00 0.00 O ATOM 0 H GLY A 56 5.897 6.574 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.195 7.647 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.111 8.387 -1.686 1.00 0.00 H new ATOM 821 N GLN A 57 8.547 5.226 -2.574 1.00 0.00 N ATOM 822 CA GLN A 57 9.565 4.219 -2.849 1.00 0.00 C ATOM 823 C GLN A 57 9.021 3.133 -3.771 1.00 0.00 C ATOM 824 O GLN A 57 8.070 2.432 -3.427 1.00 0.00 O ATOM 825 CB GLN A 57 10.061 3.595 -1.543 1.00 0.00 C ATOM 826 CG GLN A 57 10.888 4.543 -0.691 1.00 0.00 C ATOM 827 CD GLN A 57 12.223 4.884 -1.325 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.293 5.682 -2.260 1.00 0.00 O ATOM 829 NE2 GLN A 57 13.291 4.279 -0.818 1.00 0.00 N ATOM 0 H GLN A 57 7.590 4.875 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 57 10.400 4.710 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.203 3.255 -0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.659 2.714 -1.775 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.324 5.461 -0.524 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.059 4.092 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.186 3.625 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.216 4.469 -1.204 1.00 0.00 H new ATOM 838 N SER A 58 9.632 2.999 -4.944 1.00 0.00 N ATOM 839 CA SER A 58 9.206 2.001 -5.918 1.00 0.00 C ATOM 840 C SER A 58 9.444 0.590 -5.389 1.00 0.00 C ATOM 841 O SER A 58 10.584 0.180 -5.170 1.00 0.00 O ATOM 842 CB SER A 58 9.952 2.195 -7.239 1.00 0.00 C ATOM 843 OG SER A 58 9.231 1.632 -8.321 1.00 0.00 O ATOM 0 H SER A 58 10.423 3.569 -5.243 1.00 0.00 H new ATOM 0 HA SER A 58 8.138 2.131 -6.090 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.110 3.259 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.937 1.733 -7.175 1.00 0.00 H new ATOM 0 HG SER A 58 8.271 1.671 -8.130 1.00 0.00 H new ATOM 849 N VAL A 59 8.358 -0.150 -5.186 1.00 0.00 N ATOM 850 CA VAL A 59 8.447 -1.516 -4.684 1.00 0.00 C ATOM 851 C VAL A 59 7.963 -2.518 -5.726 1.00 0.00 C ATOM 852 O VAL A 59 7.966 -3.726 -5.491 1.00 0.00 O ATOM 853 CB VAL A 59 7.624 -1.695 -3.394 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.068 -0.698 -2.334 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.138 -1.549 -3.687 1.00 0.00 C ATOM 0 H VAL A 59 7.407 0.174 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 59 9.498 -1.704 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 59 7.798 -2.699 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.475 -0.840 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.122 -0.855 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.925 0.316 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.571 -1.678 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.944 -0.558 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.833 -2.306 -4.409 1.00 0.00 H new ATOM 865 N VAL A 60 7.547 -2.007 -6.881 1.00 0.00 N ATOM 866 CA VAL A 60 7.060 -2.857 -7.961 1.00 0.00 C ATOM 867 C VAL A 60 7.987 -4.047 -8.184 1.00 0.00 C ATOM 868 O VAL A 60 7.571 -5.080 -8.707 1.00 0.00 O ATOM 869 CB VAL A 60 6.928 -2.069 -9.278 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.098 -1.111 -9.447 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.834 -3.021 -10.461 1.00 0.00 C ATOM 0 H VAL A 60 7.538 -1.009 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 60 6.076 -3.218 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 60 6.011 -1.482 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.987 -0.563 -10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.115 -0.408 -8.615 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.031 -1.675 -9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.741 -2.447 -11.383 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.733 -3.636 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.961 -3.662 -10.343 1.00 0.00 H new ATOM 881 N ALA A 61 9.244 -3.894 -7.783 1.00 0.00 N ATOM 882 CA ALA A 61 10.230 -4.957 -7.936 1.00 0.00 C ATOM 883 C ALA A 61 10.726 -5.445 -6.579 1.00 0.00 C ATOM 884 O ALA A 61 11.087 -6.612 -6.422 1.00 0.00 O ATOM 885 CB ALA A 61 11.397 -4.476 -8.785 1.00 0.00 C ATOM 0 H ALA A 61 9.604 -3.044 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 61 9.749 -5.795 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.126 -5.280 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.034 -4.183 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.869 -3.620 -8.303 1.00 0.00 H new ATOM 891 N THR A 62 10.742 -4.546 -5.601 1.00 0.00 N ATOM 892 CA THR A 62 11.195 -4.885 -4.258 1.00 0.00 C ATOM 893 C THR A 62 10.435 -6.086 -3.708 1.00 0.00 C ATOM 894 O THR A 62 9.219 -6.206 -3.864 1.00 0.00 O ATOM 895 CB THR A 62 11.026 -3.697 -3.291 1.00 0.00 C ATOM 896 OG1 THR A 62 11.734 -2.556 -3.788 1.00 0.00 O ATOM 897 CG2 THR A 62 11.536 -4.053 -1.903 1.00 0.00 C ATOM 0 H THR A 62 10.446 -3.576 -5.714 1.00 0.00 H new ATOM 0 HA THR A 62 12.254 -5.133 -4.335 1.00 0.00 H new ATOM 0 HB THR A 62 9.964 -3.462 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.620 -1.805 -3.169 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.406 -3.199 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 62 10.974 -4.903 -1.516 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.593 -4.312 -1.959 1.00 0.00 H new ATOM 905 N PRO A 63 11.164 -6.997 -3.047 1.00 0.00 N ATOM 906 CA PRO A 63 10.578 -8.205 -2.459 1.00 0.00 C ATOM 907 C PRO A 63 9.696 -7.894 -1.254 1.00 0.00 C ATOM 908 O PRO A 63 9.970 -6.963 -0.495 1.00 0.00 O ATOM 909 CB PRO A 63 11.801 -9.020 -2.030 1.00 0.00 C ATOM 910 CG PRO A 63 12.875 -8.009 -1.821 1.00 0.00 C ATOM 911 CD PRO A 63 12.617 -6.918 -2.822 1.00 0.00 C ATOM 0 HA PRO A 63 9.927 -8.725 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.602 -9.581 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.082 -9.744 -2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.851 -7.619 -0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.861 -8.450 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.911 -5.942 -2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.176 -7.079 -3.744 1.00 0.00 H new ATOM 919 N HIS A 64 8.637 -8.679 -1.084 1.00 0.00 N ATOM 920 CA HIS A 64 7.715 -8.487 0.030 1.00 0.00 C ATOM 921 C HIS A 64 8.476 -8.288 1.337 1.00 0.00 C ATOM 922 O HIS A 64 8.286 -7.289 2.031 1.00 0.00 O ATOM 923 CB HIS A 64 6.774 -9.686 0.153 1.00 0.00 C ATOM 924 CG HIS A 64 6.043 -9.743 1.459 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.674 -9.611 1.561 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.498 -9.920 2.721 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.319 -9.703 2.831 1.00 0.00 C ATOM 928 NE2 HIS A 64 5.408 -9.891 3.555 1.00 0.00 N ATOM 0 H HIS A 64 8.396 -9.453 -1.703 1.00 0.00 H new ATOM 0 HA HIS A 64 7.127 -7.591 -0.168 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.048 -9.652 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.349 -10.603 0.028 1.00 0.00 H new ATOM 0 HD1 HIS A 64 4.035 -9.465 0.779 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.527 -10.058 3.017 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.311 -9.636 3.212 1.00 0.00 H new ATOM 936 N ALA A 65 9.338 -9.244 1.667 1.00 0.00 N ATOM 937 CA ALA A 65 10.128 -9.173 2.889 1.00 0.00 C ATOM 938 C ALA A 65 10.500 -7.731 3.219 1.00 0.00 C ATOM 939 O ALA A 65 10.097 -7.197 4.253 1.00 0.00 O ATOM 940 CB ALA A 65 11.381 -10.026 2.759 1.00 0.00 C ATOM 0 H ALA A 65 9.507 -10.078 1.104 1.00 0.00 H new ATOM 0 HA ALA A 65 9.521 -9.561 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.961 -9.963 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.098 -11.063 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.983 -9.664 1.925 1.00 0.00 H new ATOM 946 N ARG A 66 11.271 -7.107 2.335 1.00 0.00 N ATOM 947 CA ARG A 66 11.698 -5.727 2.533 1.00 0.00 C ATOM 948 C ARG A 66 10.495 -4.796 2.648 1.00 0.00 C ATOM 949 O ARG A 66 10.387 -4.019 3.597 1.00 0.00 O ATOM 950 CB ARG A 66 12.596 -5.278 1.379 1.00 0.00 C ATOM 951 CG ARG A 66 13.594 -4.199 1.767 1.00 0.00 C ATOM 952 CD ARG A 66 13.003 -3.235 2.784 1.00 0.00 C ATOM 953 NE ARG A 66 13.852 -2.064 2.985 1.00 0.00 N ATOM 954 CZ ARG A 66 13.701 -1.210 3.992 1.00 0.00 C ATOM 955 NH1 ARG A 66 12.739 -1.397 4.885 1.00 0.00 N ATOM 956 NH2 ARG A 66 14.514 -0.168 4.108 1.00 0.00 N ATOM 0 H ARG A 66 11.613 -7.535 1.475 1.00 0.00 H new ATOM 0 HA ARG A 66 12.263 -5.678 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.139 -6.142 0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.971 -4.907 0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.490 -4.662 2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.901 -3.649 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.017 -2.914 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.865 -3.750 3.735 1.00 0.00 H new ATOM 0 HE ARG A 66 14.602 -1.892 2.316 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.113 -2.198 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.625 -0.740 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.256 -0.022 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.397 0.487 4.881 1.00 0.00 H new ATOM 970 N ILE A 67 9.593 -4.880 1.676 1.00 0.00 N ATOM 971 CA ILE A 67 8.398 -4.046 1.668 1.00 0.00 C ATOM 972 C ILE A 67 7.784 -3.953 3.061 1.00 0.00 C ATOM 973 O ILE A 67 7.321 -2.890 3.476 1.00 0.00 O ATOM 974 CB ILE A 67 7.340 -4.587 0.688 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.842 -4.473 -0.753 1.00 0.00 C ATOM 976 CG2 ILE A 67 6.028 -3.836 0.858 1.00 0.00 C ATOM 977 CD1 ILE A 67 7.118 -5.383 -1.719 1.00 0.00 C ATOM 0 H ILE A 67 9.667 -5.518 0.883 1.00 0.00 H new ATOM 0 HA ILE A 67 8.708 -3.053 1.343 1.00 0.00 H new ATOM 0 HB ILE A 67 7.165 -5.640 0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.732 -3.441 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.907 -4.704 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.290 -4.230 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.665 -3.963 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.187 -2.776 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.526 -5.249 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.249 -6.420 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.056 -5.137 -1.724 1.00 0.00 H new ATOM 989 N ILE A 68 7.786 -5.071 3.778 1.00 0.00 N ATOM 990 CA ILE A 68 7.232 -5.115 5.126 1.00 0.00 C ATOM 991 C ILE A 68 8.030 -4.231 6.077 1.00 0.00 C ATOM 992 O ILE A 68 7.465 -3.573 6.950 1.00 0.00 O ATOM 993 CB ILE A 68 7.206 -6.553 5.678 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.421 -7.469 4.737 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.601 -6.573 7.073 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.946 -7.142 4.666 1.00 0.00 C ATOM 0 H ILE A 68 8.165 -5.959 3.448 1.00 0.00 H new ATOM 0 HA ILE A 68 6.210 -4.742 5.059 1.00 0.00 H new ATOM 0 HB ILE A 68 8.230 -6.921 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.848 -7.401 3.737 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.540 -8.502 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.589 -7.596 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.198 -5.948 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.582 -6.189 7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.453 -7.831 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.504 -7.238 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.817 -6.120 4.309 1.00 0.00 H new ATOM 1008 N GLU A 69 9.348 -4.220 5.901 1.00 0.00 N ATOM 1009 CA GLU A 69 10.224 -3.415 6.744 1.00 0.00 C ATOM 1010 C GLU A 69 10.001 -1.926 6.495 1.00 0.00 C ATOM 1011 O GLU A 69 10.009 -1.122 7.428 1.00 0.00 O ATOM 1012 CB GLU A 69 11.689 -3.774 6.484 1.00 0.00 C ATOM 1013 CG GLU A 69 12.206 -4.899 7.364 1.00 0.00 C ATOM 1014 CD GLU A 69 12.557 -4.432 8.763 1.00 0.00 C ATOM 1015 OE1 GLU A 69 11.913 -3.479 9.249 1.00 0.00 O ATOM 1016 OE2 GLU A 69 13.476 -5.019 9.372 1.00 0.00 O ATOM 0 H GLU A 69 9.832 -4.759 5.183 1.00 0.00 H new ATOM 0 HA GLU A 69 9.984 -3.631 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.804 -4.060 5.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.305 -2.889 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.451 -5.683 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.088 -5.341 6.901 1.00 0.00 H new ATOM 1023 N LEU A 70 9.804 -1.567 5.232 1.00 0.00 N ATOM 1024 CA LEU A 70 9.580 -0.174 4.859 1.00 0.00 C ATOM 1025 C LEU A 70 8.259 0.335 5.427 1.00 0.00 C ATOM 1026 O LEU A 70 8.242 1.182 6.322 1.00 0.00 O ATOM 1027 CB LEU A 70 9.584 -0.027 3.336 1.00 0.00 C ATOM 1028 CG LEU A 70 10.959 -0.003 2.668 1.00 0.00 C ATOM 1029 CD1 LEU A 70 10.818 -0.089 1.156 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.723 1.251 3.064 1.00 0.00 C ATOM 0 H LEU A 70 9.795 -2.220 4.449 1.00 0.00 H new ATOM 0 HA LEU A 70 10.389 0.424 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.010 -0.850 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.061 0.894 3.078 1.00 0.00 H new ATOM 0 HG LEU A 70 11.524 -0.870 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.806 -0.071 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.311 -1.017 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.235 0.759 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.699 1.251 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.163 2.132 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.855 1.270 4.146 1.00 0.00 H new ATOM 1042 N LEU A 71 7.155 -0.187 4.904 1.00 0.00 N ATOM 1043 CA LEU A 71 5.829 0.214 5.361 1.00 0.00 C ATOM 1044 C LEU A 71 5.798 0.365 6.879 1.00 0.00 C ATOM 1045 O LEU A 71 5.388 1.401 7.403 1.00 0.00 O ATOM 1046 CB LEU A 71 4.784 -0.812 4.918 1.00 0.00 C ATOM 1047 CG LEU A 71 4.266 -0.667 3.487 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.440 -1.881 3.092 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.446 0.607 3.343 1.00 0.00 C ATOM 0 H LEU A 71 7.152 -0.889 4.164 1.00 0.00 H new ATOM 0 HA LEU A 71 5.594 1.180 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.212 -1.808 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.935 -0.753 5.598 1.00 0.00 H new ATOM 0 HG LEU A 71 5.123 -0.602 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.080 -1.759 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.057 -2.777 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.590 -1.978 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.085 0.694 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.596 0.572 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.068 1.469 3.583 1.00 0.00 H new ATOM 1061 N THR A 72 6.237 -0.675 7.581 1.00 0.00 N ATOM 1062 CA THR A 72 6.261 -0.658 9.038 1.00 0.00 C ATOM 1063 C THR A 72 7.167 0.451 9.560 1.00 0.00 C ATOM 1064 O THR A 72 6.808 1.169 10.493 1.00 0.00 O ATOM 1065 CB THR A 72 6.739 -2.007 9.608 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.855 -3.055 9.194 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.803 -1.961 11.127 1.00 0.00 C ATOM 0 H THR A 72 6.581 -1.540 7.164 1.00 0.00 H new ATOM 0 HA THR A 72 5.239 -0.474 9.369 1.00 0.00 H new ATOM 0 HB THR A 72 7.740 -2.204 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.188 -3.455 8.364 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.143 -2.925 11.506 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.499 -1.182 11.438 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.813 -1.743 11.526 1.00 0.00 H new ATOM 1075 N GLU A 73 8.341 0.585 8.952 1.00 0.00 N ATOM 1076 CA GLU A 73 9.298 1.608 9.358 1.00 0.00 C ATOM 1077 C GLU A 73 8.675 2.999 9.275 1.00 0.00 C ATOM 1078 O GLU A 73 9.016 3.890 10.052 1.00 0.00 O ATOM 1079 CB GLU A 73 10.549 1.544 8.479 1.00 0.00 C ATOM 1080 CG GLU A 73 11.614 0.597 9.005 1.00 0.00 C ATOM 1081 CD GLU A 73 12.522 1.249 10.029 1.00 0.00 C ATOM 1082 OE1 GLU A 73 12.148 1.276 11.220 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.605 1.733 9.640 1.00 0.00 O ATOM 0 H GLU A 73 8.652 -0.001 8.177 1.00 0.00 H new ATOM 0 HA GLU A 73 9.580 1.416 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.262 1.233 7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.974 2.544 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 73 11.132 -0.272 9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.215 0.234 8.171 1.00 0.00 H new ATOM 1090 N ALA A 74 7.762 3.176 8.326 1.00 0.00 N ATOM 1091 CA ALA A 74 7.090 4.456 8.142 1.00 0.00 C ATOM 1092 C ALA A 74 6.059 4.698 9.239 1.00 0.00 C ATOM 1093 O ALA A 74 5.130 3.910 9.416 1.00 0.00 O ATOM 1094 CB ALA A 74 6.430 4.514 6.772 1.00 0.00 C ATOM 0 H ALA A 74 7.471 2.449 7.673 1.00 0.00 H new ATOM 0 HA ALA A 74 7.840 5.244 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.932 5.476 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.188 4.396 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.697 3.712 6.687 1.00 0.00 H new ATOM 1100 N TYR A 75 6.229 5.792 9.973 1.00 0.00 N ATOM 1101 CA TYR A 75 5.315 6.136 11.056 1.00 0.00 C ATOM 1102 C TYR A 75 4.418 7.305 10.660 1.00 0.00 C ATOM 1103 O TYR A 75 4.614 7.928 9.618 1.00 0.00 O ATOM 1104 CB TYR A 75 6.098 6.486 12.322 1.00 0.00 C ATOM 1105 CG TYR A 75 7.373 5.689 12.485 1.00 0.00 C ATOM 1106 CD1 TYR A 75 8.558 6.107 11.891 1.00 0.00 C ATOM 1107 CD2 TYR A 75 7.393 4.519 13.233 1.00 0.00 C ATOM 1108 CE1 TYR A 75 9.724 5.382 12.036 1.00 0.00 C ATOM 1109 CE2 TYR A 75 8.555 3.788 13.385 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.718 4.223 12.785 1.00 0.00 C ATOM 1111 OH TYR A 75 10.879 3.498 12.933 1.00 0.00 O ATOM 0 H TYR A 75 6.991 6.456 9.838 1.00 0.00 H new ATOM 0 HA TYR A 75 4.686 5.269 11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.343 7.548 12.306 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.461 6.319 13.191 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.567 7.015 11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.484 4.175 13.704 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.636 5.720 11.566 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.553 2.881 13.971 1.00 0.00 H new ATOM 0 HH TYR A 75 10.967 2.866 12.189 1.00 0.00 H new ATOM 1121 N GLY A 76 3.431 7.597 11.503 1.00 0.00 N ATOM 1122 CA GLY A 76 2.518 8.690 11.225 1.00 0.00 C ATOM 1123 C GLY A 76 1.903 8.595 9.843 1.00 0.00 C ATOM 1124 O GLY A 76 1.162 7.658 9.550 1.00 0.00 O ATOM 0 H GLY A 76 3.248 7.096 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.725 8.696 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.050 9.637 11.318 1.00 0.00 H new ATOM 1128 N GLU A 77 2.210 9.569 8.992 1.00 0.00 N ATOM 1129 CA GLU A 77 1.679 9.592 7.634 1.00 0.00 C ATOM 1130 C GLU A 77 2.339 8.518 6.774 1.00 0.00 C ATOM 1131 O GLU A 77 3.520 8.612 6.441 1.00 0.00 O ATOM 1132 CB GLU A 77 1.893 10.969 7.002 1.00 0.00 C ATOM 1133 CG GLU A 77 0.898 11.295 5.901 1.00 0.00 C ATOM 1134 CD GLU A 77 0.766 12.785 5.656 1.00 0.00 C ATOM 1135 OE1 GLU A 77 1.769 13.412 5.255 1.00 0.00 O ATOM 1136 OE2 GLU A 77 -0.341 13.325 5.865 1.00 0.00 O ATOM 0 H GLU A 77 2.823 10.352 9.219 1.00 0.00 H new ATOM 0 HA GLU A 77 0.610 9.386 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.825 11.730 7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.903 11.019 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.209 10.805 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.077 10.886 6.165 1.00 0.00 H new ATOM 1143 N VAL A 78 1.566 7.496 6.419 1.00 0.00 N ATOM 1144 CA VAL A 78 2.074 6.403 5.598 1.00 0.00 C ATOM 1145 C VAL A 78 1.405 6.388 4.228 1.00 0.00 C ATOM 1146 O VAL A 78 0.280 5.910 4.080 1.00 0.00 O ATOM 1147 CB VAL A 78 1.853 5.039 6.280 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.338 3.910 5.384 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.553 4.999 7.629 1.00 0.00 C ATOM 0 H VAL A 78 0.586 7.402 6.687 1.00 0.00 H new ATOM 0 HA VAL A 78 3.144 6.570 5.475 1.00 0.00 H new ATOM 0 HB VAL A 78 0.784 4.904 6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.174 2.954 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.786 3.929 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.402 4.036 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.386 4.029 8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.623 5.155 7.489 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.153 5.784 8.270 1.00 0.00 H new ATOM 1159 N HIS A 79 2.105 6.915 3.229 1.00 0.00 N ATOM 1160 CA HIS A 79 1.580 6.962 1.869 1.00 0.00 C ATOM 1161 C HIS A 79 1.700 5.600 1.193 1.00 0.00 C ATOM 1162 O HIS A 79 2.713 4.914 1.333 1.00 0.00 O ATOM 1163 CB HIS A 79 2.321 8.019 1.049 1.00 0.00 C ATOM 1164 CG HIS A 79 2.087 9.419 1.526 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.912 10.486 0.670 1.00 0.00 N ATOM 1166 CD2 HIS A 79 1.998 9.925 2.778 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.727 11.588 1.375 1.00 0.00 C ATOM 1168 NE2 HIS A 79 1.774 11.275 2.657 1.00 0.00 N ATOM 0 H HIS A 79 3.037 7.315 3.335 1.00 0.00 H new ATOM 0 HA HIS A 79 0.525 7.230 1.923 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.390 7.807 1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.011 7.942 0.007 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.924 10.433 -0.349 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.087 9.371 3.701 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.565 12.577 0.971 1.00 0.00 H new ATOM 1176 N ILE A 80 0.661 5.215 0.460 1.00 0.00 N ATOM 1177 CA ILE A 80 0.652 3.935 -0.238 1.00 0.00 C ATOM 1178 C ILE A 80 0.015 4.066 -1.617 1.00 0.00 C ATOM 1179 O ILE A 80 -1.147 4.453 -1.743 1.00 0.00 O ATOM 1180 CB ILE A 80 -0.106 2.861 0.565 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.669 2.502 1.835 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.335 1.624 -0.289 1.00 0.00 C ATOM 1183 CD1 ILE A 80 -0.150 1.729 2.844 1.00 0.00 C ATOM 0 H ILE A 80 -0.185 5.771 0.334 1.00 0.00 H new ATOM 0 HA ILE A 80 1.692 3.628 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.077 3.263 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.545 1.913 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.033 3.418 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.872 0.875 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.923 1.892 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.626 1.218 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.463 1.509 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.012 2.324 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.492 0.796 2.397 1.00 0.00 H new ATOM 1195 N LYS A 81 0.782 3.737 -2.651 1.00 0.00 N ATOM 1196 CA LYS A 81 0.293 3.814 -4.023 1.00 0.00 C ATOM 1197 C LYS A 81 -0.257 2.467 -4.480 1.00 0.00 C ATOM 1198 O LYS A 81 0.499 1.528 -4.731 1.00 0.00 O ATOM 1199 CB LYS A 81 1.415 4.264 -4.961 1.00 0.00 C ATOM 1200 CG LYS A 81 0.915 4.905 -6.244 1.00 0.00 C ATOM 1201 CD LYS A 81 2.013 5.691 -6.940 1.00 0.00 C ATOM 1202 CE LYS A 81 2.065 7.130 -6.450 1.00 0.00 C ATOM 1203 NZ LYS A 81 3.432 7.708 -6.571 1.00 0.00 N ATOM 0 H LYS A 81 1.746 3.414 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.514 4.546 -4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.054 4.974 -4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.034 3.403 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.538 4.133 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.079 5.567 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.975 5.210 -6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.844 5.678 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.363 7.735 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.744 7.171 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.712 8.130 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.105 6.957 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.435 8.441 -7.309 1.00 0.00 H new ATOM 1217 N THR A 82 -1.579 2.380 -4.589 1.00 0.00 N ATOM 1218 CA THR A 82 -2.231 1.148 -5.017 1.00 0.00 C ATOM 1219 C THR A 82 -2.626 1.218 -6.488 1.00 0.00 C ATOM 1220 O THR A 82 -3.214 2.201 -6.936 1.00 0.00 O ATOM 1221 CB THR A 82 -3.485 0.854 -4.173 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.322 2.014 -4.119 1.00 0.00 O ATOM 1223 CG2 THR A 82 -3.102 0.432 -2.763 1.00 0.00 C ATOM 0 H THR A 82 -2.219 3.148 -4.387 1.00 0.00 H new ATOM 0 HA THR A 82 -1.510 0.343 -4.875 1.00 0.00 H new ATOM 0 HB THR A 82 -4.029 0.036 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.169 2.565 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.004 0.230 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.490 -0.469 -2.806 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.537 1.232 -2.285 1.00 0.00 H new ATOM 1231 N MET A 83 -2.300 0.167 -7.234 1.00 0.00 N ATOM 1232 CA MET A 83 -2.623 0.109 -8.655 1.00 0.00 C ATOM 1233 C MET A 83 -3.025 -1.304 -9.063 1.00 0.00 C ATOM 1234 O MET A 83 -2.437 -2.294 -8.627 1.00 0.00 O ATOM 1235 CB MET A 83 -1.429 0.574 -9.491 1.00 0.00 C ATOM 1236 CG MET A 83 -1.814 1.082 -10.871 1.00 0.00 C ATOM 1237 SD MET A 83 -0.418 1.789 -11.765 1.00 0.00 S ATOM 1238 CE MET A 83 -1.268 2.794 -12.980 1.00 0.00 C ATOM 0 H MET A 83 -1.813 -0.655 -6.878 1.00 0.00 H new ATOM 0 HA MET A 83 -3.466 0.775 -8.838 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.906 1.366 -8.954 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.728 -0.254 -9.600 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.234 0.261 -11.452 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.596 1.835 -10.772 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.543 3.406 -13.518 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.791 2.148 -13.685 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.987 3.441 -12.478 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.052 -1.404 -9.921 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.555 -2.692 -10.407 1.00 0.00 C ATOM 1250 C PRO A 84 -3.573 -3.379 -11.350 1.00 0.00 C ATOM 1251 O PRO A 84 -3.352 -2.923 -12.471 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.837 -2.313 -11.153 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.631 -0.896 -11.565 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.800 -0.266 -10.482 1.00 0.00 C ATOM 0 HA PRO A 84 -4.712 -3.401 -9.595 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.997 -2.957 -12.017 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.713 -2.416 -10.512 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.124 -0.840 -12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.584 -0.379 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.131 0.497 -10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.422 0.217 -9.728 1.00 0.00 H new ATOM 1262 N ALA A 85 -2.988 -4.479 -10.888 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.032 -5.230 -11.692 1.00 0.00 C ATOM 1264 C ALA A 85 -2.431 -5.230 -13.163 1.00 0.00 C ATOM 1265 O ALA A 85 -1.577 -5.209 -14.048 1.00 0.00 O ATOM 1266 CB ALA A 85 -1.914 -6.657 -11.175 1.00 0.00 C ATOM 0 H ALA A 85 -3.159 -4.870 -9.962 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.061 -4.742 -11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.197 -7.207 -11.785 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.574 -6.642 -10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.887 -7.146 -11.230 1.00 0.00 H new ATOM 1272 N ALA A 86 -3.736 -5.253 -13.417 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.248 -5.254 -14.782 1.00 0.00 C ATOM 1274 C ALA A 86 -3.760 -4.032 -15.552 1.00 0.00 C ATOM 1275 O ALA A 86 -2.995 -4.153 -16.510 1.00 0.00 O ATOM 1276 CB ALA A 86 -5.769 -5.304 -14.775 1.00 0.00 C ATOM 0 H ALA A 86 -4.457 -5.271 -12.696 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.869 -6.143 -15.286 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.138 -5.304 -15.801 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.101 -6.211 -14.270 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.159 -4.433 -14.249 1.00 0.00 H new ATOM 1282 N THR A 87 -4.209 -2.854 -15.130 1.00 0.00 N ATOM 1283 CA THR A 87 -3.819 -1.610 -15.781 1.00 0.00 C ATOM 1284 C THR A 87 -2.303 -1.490 -15.876 1.00 0.00 C ATOM 1285 O THR A 87 -1.744 -1.409 -16.971 1.00 0.00 O ATOM 1286 CB THR A 87 -4.373 -0.385 -15.029 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.751 -0.594 -14.699 1.00 0.00 O ATOM 1288 CG2 THR A 87 -4.234 0.875 -15.870 1.00 0.00 C ATOM 0 H THR A 87 -4.843 -2.736 -14.340 1.00 0.00 H new ATOM 0 HA THR A 87 -4.242 -1.633 -16.785 1.00 0.00 H new ATOM 0 HB THR A 87 -3.796 -0.258 -14.113 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.095 0.189 -14.220 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.632 1.727 -15.318 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.182 1.048 -16.095 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.789 0.754 -16.800 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.641 -1.480 -14.724 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.188 -1.368 -14.678 1.00 0.00 C ATOM 1298 C TYR A 88 0.460 -2.253 -15.739 1.00 0.00 C ATOM 1299 O TYR A 88 1.195 -1.772 -16.601 1.00 0.00 O ATOM 1300 CB TYR A 88 0.330 -1.752 -13.291 1.00 0.00 C ATOM 1301 CG TYR A 88 1.733 -1.262 -13.013 1.00 0.00 C ATOM 1302 CD1 TYR A 88 2.109 0.040 -13.318 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.683 -2.102 -12.445 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.390 0.492 -13.066 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.966 -1.659 -12.188 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.315 -0.361 -12.500 1.00 0.00 C ATOM 1307 OH TYR A 88 5.592 0.084 -12.247 1.00 0.00 O ATOM 0 H TYR A 88 -2.088 -1.548 -13.810 1.00 0.00 H new ATOM 0 HA TYR A 88 0.078 -0.331 -14.884 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.344 -1.347 -12.536 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.306 -2.837 -13.191 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.387 0.711 -13.760 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.414 -3.119 -12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.666 1.507 -13.311 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.692 -2.325 -11.745 1.00 0.00 H new ATOM 0 HH TYR A 88 5.957 -0.392 -11.472 1.00 0.00 H new ATOM 1317 N ARG A 89 0.181 -3.551 -15.668 1.00 0.00 N ATOM 1318 CA ARG A 89 0.736 -4.505 -16.620 1.00 0.00 C ATOM 1319 C ARG A 89 0.486 -4.049 -18.055 1.00 0.00 C ATOM 1320 O ARG A 89 1.405 -4.008 -18.874 1.00 0.00 O ATOM 1321 CB ARG A 89 0.127 -5.891 -16.401 1.00 0.00 C ATOM 1322 CG ARG A 89 0.819 -6.694 -15.312 1.00 0.00 C ATOM 1323 CD ARG A 89 1.959 -7.528 -15.875 1.00 0.00 C ATOM 1324 NE ARG A 89 1.534 -8.341 -17.012 1.00 0.00 N ATOM 1325 CZ ARG A 89 2.378 -8.904 -17.869 1.00 0.00 C ATOM 1326 NH1 ARG A 89 3.686 -8.745 -17.718 1.00 0.00 N ATOM 1327 NH2 ARG A 89 1.914 -9.629 -18.879 1.00 0.00 N ATOM 0 H ARG A 89 -0.426 -3.965 -14.961 1.00 0.00 H new ATOM 0 HA ARG A 89 1.812 -4.559 -16.456 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.927 -5.779 -16.145 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.170 -6.450 -17.336 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.204 -6.018 -14.549 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.095 -7.347 -14.824 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.771 -6.870 -16.184 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.354 -8.177 -15.093 1.00 0.00 H new ATOM 0 HE ARG A 89 0.534 -8.484 -17.155 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.046 -8.189 -16.942 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.332 -9.179 -18.378 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.909 -9.754 -18.997 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.563 -10.061 -19.537 1.00 0.00 H new ATOM 1341 N LEU A 90 -0.763 -3.708 -18.352 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.135 -3.255 -19.688 1.00 0.00 C ATOM 1343 C LEU A 90 -0.334 -2.020 -20.087 1.00 0.00 C ATOM 1344 O LEU A 90 0.036 -1.856 -21.250 1.00 0.00 O ATOM 1345 CB LEU A 90 -2.632 -2.947 -19.745 1.00 0.00 C ATOM 1346 CG LEU A 90 -3.566 -4.157 -19.778 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.000 -3.733 -19.505 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -3.465 -4.872 -21.118 1.00 0.00 C ATOM 0 H LEU A 90 -1.535 -3.736 -17.686 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.908 -4.055 -20.392 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.890 -2.338 -18.879 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.824 -2.341 -20.630 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.259 -4.850 -18.995 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.650 -4.608 -19.533 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.061 -3.267 -18.522 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.319 -3.020 -20.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.136 -5.731 -21.124 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.745 -4.187 -21.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.441 -5.211 -21.273 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.069 -1.154 -19.115 1.00 0.00 N ATOM 1361 CA LEU A 91 0.690 0.067 -19.364 1.00 0.00 C ATOM 1362 C LEU A 91 2.137 -0.256 -19.724 1.00 0.00 C ATOM 1363 O LEU A 91 2.664 0.233 -20.724 1.00 0.00 O ATOM 1364 CB LEU A 91 0.649 0.976 -18.135 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.741 1.399 -17.659 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.731 1.683 -16.165 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.221 2.619 -18.432 1.00 0.00 C ATOM 0 H LEU A 91 -0.368 -1.274 -18.147 1.00 0.00 H new ATOM 0 HA LEU A 91 0.232 0.585 -20.207 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.153 0.466 -17.314 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.225 1.875 -18.353 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.433 0.578 -17.847 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.729 1.983 -15.845 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.431 0.784 -15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.025 2.486 -15.952 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.212 2.906 -18.080 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.527 3.445 -18.276 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.268 2.381 -19.495 1.00 0.00 H new ATOM 1379 N THR A 92 2.775 -1.085 -18.904 1.00 0.00 N ATOM 1380 CA THR A 92 4.160 -1.474 -19.136 1.00 0.00 C ATOM 1381 C THR A 92 4.241 -2.728 -19.998 1.00 0.00 C ATOM 1382 O THR A 92 5.243 -3.443 -19.978 1.00 0.00 O ATOM 1383 CB THR A 92 4.902 -1.727 -17.810 1.00 0.00 C ATOM 1384 OG1 THR A 92 6.281 -2.013 -18.067 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.272 -2.885 -17.050 1.00 0.00 C ATOM 0 H THR A 92 2.354 -1.500 -18.073 1.00 0.00 H new ATOM 0 HA THR A 92 4.638 -0.646 -19.659 1.00 0.00 H new ATOM 0 HB THR A 92 4.826 -0.827 -17.199 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.354 -2.593 -18.854 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.813 -3.045 -16.117 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.230 -2.652 -16.830 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.321 -3.789 -17.658 1.00 0.00 H new ATOM 1393 N GLY A 93 3.181 -2.990 -20.756 1.00 0.00 N ATOM 1394 CA GLY A 93 3.154 -4.158 -21.616 1.00 0.00 C ATOM 1395 C GLY A 93 3.531 -3.834 -23.048 1.00 0.00 C ATOM 1396 O GLY A 93 4.662 -3.434 -23.322 1.00 0.00 O ATOM 0 H GLY A 93 2.340 -2.414 -20.790 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.840 -4.909 -21.224 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.156 -4.596 -21.597 1.00 0.00 H new ATOM 1400 N GLN A 94 2.582 -4.007 -23.962 1.00 0.00 N ATOM 1401 CA GLN A 94 2.823 -3.732 -25.373 1.00 0.00 C ATOM 1402 C GLN A 94 2.528 -2.272 -25.701 1.00 0.00 C ATOM 1403 O GLN A 94 1.972 -1.540 -24.881 1.00 0.00 O ATOM 1404 CB GLN A 94 1.963 -4.647 -26.247 1.00 0.00 C ATOM 1405 CG GLN A 94 1.802 -4.150 -27.675 1.00 0.00 C ATOM 1406 CD GLN A 94 3.074 -4.290 -28.488 1.00 0.00 C ATOM 1407 OE1 GLN A 94 4.132 -4.625 -27.955 1.00 0.00 O ATOM 1408 NE2 GLN A 94 2.977 -4.034 -29.788 1.00 0.00 N ATOM 0 H GLN A 94 1.640 -4.336 -23.751 1.00 0.00 H new ATOM 0 HA GLN A 94 3.875 -3.927 -25.581 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.409 -5.642 -26.265 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.977 -4.748 -25.793 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.001 -4.707 -28.161 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.499 -3.103 -27.659 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.080 -3.759 -30.188 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.800 -4.112 -30.386 1.00 0.00 H new TER 1417 GLN A 94