USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl -158:sc= -1.13 (180deg=-1.66) USER MOD Set 1.2: A 74 MET CE :methyl -169:sc= -1.15 (180deg=-1.09) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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=-0.00795 USER MOD Single : A 11 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-0.33) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-3.8!) USER MOD Single : A 16 THR OG1 : rot 130:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.78 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -67:sc= 0.03 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= 0.421 (180deg=0.0224) USER MOD Single : A 40 GLN : amide:sc= -0.0255 K(o=-0.026,f=-1.6) USER MOD Single : A 42 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0.016) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 152:sc= 0.746 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.4 K(o=-2.4,f=-7.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.097) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.574 X(o=-0.57,f=-0.68) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0658 K(o=0.066,f=-4.5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= -0.0365 (180deg=-0.268) USER MOD Single : A 100 GLN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 107 TYR OH : rot -18:sc= 0.931 USER MOD Single : A 111 SER OG : rot -49:sc= 0.582 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.230 -13.139 22.181 1.00 0.00 N ATOM 2 CA GLY A 1 4.699 -13.205 23.553 1.00 0.00 C ATOM 3 C GLY A 1 4.955 -11.833 24.145 1.00 0.00 C ATOM 4 O GLY A 1 6.090 -11.358 24.159 1.00 0.00 O ATOM 0 H1 GLY A 1 4.070 -14.102 21.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.339 -12.603 22.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.944 -12.665 21.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.961 -13.728 24.161 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.617 -13.791 23.592 1.00 0.00 H new ATOM 8 N SER A 2 3.897 -11.194 24.633 1.00 0.00 N ATOM 9 CA SER A 2 4.011 -9.866 25.224 1.00 0.00 C ATOM 10 C SER A 2 3.230 -9.785 26.532 1.00 0.00 C ATOM 11 O SER A 2 2.147 -10.356 26.658 1.00 0.00 O ATOM 12 CB SER A 2 3.503 -8.805 24.246 1.00 0.00 C ATOM 13 OG SER A 2 4.332 -8.729 23.099 1.00 0.00 O ATOM 0 H SER A 2 2.951 -11.575 24.631 1.00 0.00 H new ATOM 0 HA SER A 2 5.063 -9.679 25.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.482 -9.042 23.946 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.472 -7.834 24.741 1.00 0.00 H new ATOM 0 HG SER A 2 3.985 -8.045 22.489 1.00 0.00 H new ATOM 19 N SER A 3 3.789 -9.070 27.504 1.00 0.00 N ATOM 20 CA SER A 3 3.148 -8.916 28.804 1.00 0.00 C ATOM 21 C SER A 3 1.692 -8.487 28.645 1.00 0.00 C ATOM 22 O SER A 3 1.345 -7.762 27.714 1.00 0.00 O ATOM 23 CB SER A 3 3.904 -7.889 29.650 1.00 0.00 C ATOM 24 OG SER A 3 5.071 -8.457 30.219 1.00 0.00 O ATOM 0 H SER A 3 4.684 -8.589 27.415 1.00 0.00 H new ATOM 0 HA SER A 3 3.171 -9.881 29.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.176 -7.034 29.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.254 -7.516 30.442 1.00 0.00 H new ATOM 0 HG SER A 3 5.537 -7.780 30.753 1.00 0.00 H new ATOM 30 N GLY A 4 0.844 -8.943 29.562 1.00 0.00 N ATOM 31 CA GLY A 4 -0.564 -8.597 29.507 1.00 0.00 C ATOM 32 C GLY A 4 -0.831 -7.176 29.961 1.00 0.00 C ATOM 33 O GLY A 4 -1.115 -6.934 31.134 1.00 0.00 O ATOM 0 H GLY A 4 1.107 -9.546 30.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.926 -8.723 28.487 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.129 -9.287 30.133 1.00 0.00 H new ATOM 37 N SER A 5 -0.738 -6.232 29.029 1.00 0.00 N ATOM 38 CA SER A 5 -0.966 -4.826 29.341 1.00 0.00 C ATOM 39 C SER A 5 -2.061 -4.243 28.453 1.00 0.00 C ATOM 40 O SER A 5 -1.900 -4.137 27.237 1.00 0.00 O ATOM 41 CB SER A 5 0.327 -4.026 29.165 1.00 0.00 C ATOM 42 OG SER A 5 0.072 -2.633 29.183 1.00 0.00 O ATOM 0 H SER A 5 -0.507 -6.416 28.053 1.00 0.00 H new ATOM 0 HA SER A 5 -1.289 -4.758 30.380 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.027 -4.281 29.961 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.802 -4.300 28.223 1.00 0.00 H new ATOM 0 HG SER A 5 0.914 -2.145 29.070 1.00 0.00 H new ATOM 48 N SER A 6 -3.177 -3.867 29.071 1.00 0.00 N ATOM 49 CA SER A 6 -4.302 -3.299 28.338 1.00 0.00 C ATOM 50 C SER A 6 -3.831 -2.209 27.379 1.00 0.00 C ATOM 51 O SER A 6 -2.701 -1.731 27.471 1.00 0.00 O ATOM 52 CB SER A 6 -5.335 -2.726 29.310 1.00 0.00 C ATOM 53 OG SER A 6 -6.549 -2.424 28.645 1.00 0.00 O ATOM 0 H SER A 6 -3.326 -3.946 30.077 1.00 0.00 H new ATOM 0 HA SER A 6 -4.764 -4.097 27.756 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.523 -3.443 30.109 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.939 -1.824 29.777 1.00 0.00 H new ATOM 0 HG SER A 6 -7.193 -2.061 29.288 1.00 0.00 H new ATOM 59 N GLY A 7 -4.707 -1.822 26.456 1.00 0.00 N ATOM 60 CA GLY A 7 -4.363 -0.793 25.493 1.00 0.00 C ATOM 61 C GLY A 7 -5.313 0.388 25.543 1.00 0.00 C ATOM 62 O GLY A 7 -6.521 0.228 25.373 1.00 0.00 O ATOM 0 H GLY A 7 -5.648 -2.203 26.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.347 -0.447 25.683 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.372 -1.220 24.490 1.00 0.00 H new ATOM 66 N GLU A 8 -4.765 1.576 25.777 1.00 0.00 N ATOM 67 CA GLU A 8 -5.573 2.788 25.852 1.00 0.00 C ATOM 68 C GLU A 8 -5.106 3.817 24.826 1.00 0.00 C ATOM 69 O GLU A 8 -3.910 4.022 24.615 1.00 0.00 O ATOM 70 CB GLU A 8 -5.506 3.386 27.258 1.00 0.00 C ATOM 71 CG GLU A 8 -6.649 4.338 27.569 1.00 0.00 C ATOM 72 CD GLU A 8 -6.553 4.929 28.962 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.419 5.101 29.457 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.611 5.220 29.558 1.00 0.00 O ATOM 0 H GLU A 8 -3.766 1.725 25.918 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.606 2.520 25.628 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.509 2.577 27.988 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.561 3.916 27.374 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.655 5.145 26.836 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.596 3.808 27.468 1.00 0.00 H new ATOM 81 N PRO A 9 -6.071 4.480 24.173 1.00 0.00 N ATOM 82 CA PRO A 9 -5.784 5.499 23.159 1.00 0.00 C ATOM 83 C PRO A 9 -5.186 6.766 23.763 1.00 0.00 C ATOM 84 O PRO A 9 -5.849 7.478 24.516 1.00 0.00 O ATOM 85 CB PRO A 9 -7.158 5.793 22.552 1.00 0.00 C ATOM 86 CG PRO A 9 -8.130 5.439 23.625 1.00 0.00 C ATOM 87 CD PRO A 9 -7.517 4.288 24.374 1.00 0.00 C ATOM 0 HA PRO A 9 -5.047 5.155 22.433 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.248 6.841 22.266 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.328 5.201 21.653 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.306 6.286 24.287 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.095 5.160 23.201 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.782 4.310 25.431 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.853 3.328 23.981 1.00 0.00 H new ATOM 95 N ALA A 10 -3.930 7.040 23.426 1.00 0.00 N ATOM 96 CA ALA A 10 -3.245 8.223 23.933 1.00 0.00 C ATOM 97 C ALA A 10 -3.021 9.245 22.825 1.00 0.00 C ATOM 98 O ALA A 10 -2.424 8.936 21.792 1.00 0.00 O ATOM 99 CB ALA A 10 -1.919 7.832 24.569 1.00 0.00 C ATOM 0 H ALA A 10 -3.367 6.460 22.805 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.879 8.682 24.692 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.418 8.725 24.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.100 7.144 25.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.288 7.347 23.825 1.00 0.00 H new ATOM 105 N HIS A 11 -3.503 10.464 23.044 1.00 0.00 N ATOM 106 CA HIS A 11 -3.355 11.533 22.062 1.00 0.00 C ATOM 107 C HIS A 11 -2.003 12.224 22.211 1.00 0.00 C ATOM 108 O HIS A 11 -1.767 12.946 23.179 1.00 0.00 O ATOM 109 CB HIS A 11 -4.483 12.554 22.215 1.00 0.00 C ATOM 110 CG HIS A 11 -4.225 13.843 21.498 1.00 0.00 C ATOM 111 ND1 HIS A 11 -4.860 14.192 20.325 1.00 0.00 N ATOM 112 CD2 HIS A 11 -3.396 14.871 21.795 1.00 0.00 C ATOM 113 CE1 HIS A 11 -4.432 15.378 19.930 1.00 0.00 C ATOM 114 NE2 HIS A 11 -3.543 15.812 20.806 1.00 0.00 N ATOM 0 H HIS A 11 -3.999 10.737 23.892 1.00 0.00 H new ATOM 0 HA HIS A 11 -3.409 11.090 21.068 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -5.409 12.119 21.841 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -4.634 12.761 23.275 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.741 14.938 22.651 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.754 15.903 19.043 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.047 16.702 20.756 1.00 0.00 H new ATOM 122 N GLY A 12 -1.119 11.998 21.245 1.00 0.00 N ATOM 123 CA GLY A 12 0.199 12.605 21.288 1.00 0.00 C ATOM 124 C GLY A 12 1.260 11.734 20.644 1.00 0.00 C ATOM 125 O GLY A 12 2.409 11.715 21.087 1.00 0.00 O ATOM 0 H GLY A 12 -1.291 11.405 20.433 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.168 13.569 20.781 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.473 12.799 22.325 1.00 0.00 H new ATOM 129 N ARG A 13 0.875 11.011 19.598 1.00 0.00 N ATOM 130 CA ARG A 13 1.801 10.132 18.895 1.00 0.00 C ATOM 131 C ARG A 13 1.620 10.248 17.384 1.00 0.00 C ATOM 132 O ARG A 13 0.610 10.767 16.909 1.00 0.00 O ATOM 133 CB ARG A 13 1.594 8.681 19.334 1.00 0.00 C ATOM 134 CG ARG A 13 2.872 7.859 19.343 1.00 0.00 C ATOM 135 CD ARG A 13 3.566 7.922 20.694 1.00 0.00 C ATOM 136 NE ARG A 13 2.856 7.150 21.711 1.00 0.00 N ATOM 137 CZ ARG A 13 2.775 5.824 21.703 1.00 0.00 C ATOM 138 NH1 ARG A 13 3.357 5.127 20.738 1.00 0.00 N ATOM 139 NH2 ARG A 13 2.110 5.194 22.663 1.00 0.00 N ATOM 0 H ARG A 13 -0.072 11.017 19.219 1.00 0.00 H new ATOM 0 HA ARG A 13 2.816 10.439 19.147 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.159 8.671 20.333 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.873 8.208 18.668 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.640 6.822 19.100 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.547 8.225 18.569 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.584 7.544 20.597 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.641 8.961 21.015 1.00 0.00 H new ATOM 0 HE ARG A 13 2.398 7.657 22.468 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.869 5.608 19.999 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.293 4.109 20.734 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.661 5.728 23.407 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.048 4.176 22.657 1.00 0.00 H new ATOM 153 N GLN A 14 2.605 9.762 16.636 1.00 0.00 N ATOM 154 CA GLN A 14 2.554 9.813 15.180 1.00 0.00 C ATOM 155 C GLN A 14 1.852 8.582 14.616 1.00 0.00 C ATOM 156 O GLN A 14 2.476 7.543 14.401 1.00 0.00 O ATOM 157 CB GLN A 14 3.967 9.918 14.602 1.00 0.00 C ATOM 158 CG GLN A 14 4.934 8.892 15.170 1.00 0.00 C ATOM 159 CD GLN A 14 6.316 8.991 14.556 1.00 0.00 C ATOM 160 OE1 GLN A 14 6.737 8.114 13.800 1.00 0.00 O ATOM 161 NE2 GLN A 14 7.032 10.062 14.878 1.00 0.00 N ATOM 0 H GLN A 14 3.448 9.329 17.014 1.00 0.00 H new ATOM 0 HA GLN A 14 1.985 10.697 14.893 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.918 9.798 13.520 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.356 10.918 14.795 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.009 9.028 16.249 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.536 7.891 15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.644 10.764 15.508 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.970 10.182 14.495 1.00 0.00 H new ATOM 170 N HIS A 15 0.550 8.706 14.379 1.00 0.00 N ATOM 171 CA HIS A 15 -0.238 7.603 13.840 1.00 0.00 C ATOM 172 C HIS A 15 -0.744 7.931 12.439 1.00 0.00 C ATOM 173 O HIS A 15 -0.998 9.092 12.114 1.00 0.00 O ATOM 174 CB HIS A 15 -1.418 7.293 14.762 1.00 0.00 C ATOM 175 CG HIS A 15 -1.033 6.535 15.994 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.022 6.939 16.841 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.530 5.392 16.523 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.087 6.077 17.836 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.817 5.129 17.666 1.00 0.00 N ATOM 0 H HIS A 15 0.018 9.559 14.552 1.00 0.00 H new ATOM 0 HA HIS A 15 0.405 6.725 13.778 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.895 8.228 15.055 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.160 6.717 14.208 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.337 4.798 16.121 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.795 6.137 18.650 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.962 4.331 18.284 1.00 0.00 H new ATOM 187 N THR A 16 -0.888 6.901 11.611 1.00 0.00 N ATOM 188 CA THR A 16 -1.361 7.079 10.244 1.00 0.00 C ATOM 189 C THR A 16 -2.652 6.305 10.003 1.00 0.00 C ATOM 190 O THR A 16 -2.740 5.104 10.259 1.00 0.00 O ATOM 191 CB THR A 16 -0.304 6.624 9.219 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.799 6.813 7.889 1.00 0.00 O ATOM 193 CG2 THR A 16 0.057 5.161 9.429 1.00 0.00 C ATOM 0 H THR A 16 -0.684 5.934 11.864 1.00 0.00 H new ATOM 0 HA THR A 16 -1.549 8.144 10.112 1.00 0.00 H new ATOM 0 HB THR A 16 0.593 7.227 9.361 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.132 7.296 7.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.805 4.862 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.460 5.026 10.433 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.835 4.546 9.311 1.00 0.00 H new ATOM 201 N PRO A 17 -3.678 7.007 9.500 1.00 0.00 N ATOM 202 CA PRO A 17 -4.984 6.404 9.213 1.00 0.00 C ATOM 203 C PRO A 17 -4.931 5.444 8.029 1.00 0.00 C ATOM 204 O PRO A 17 -3.918 5.352 7.336 1.00 0.00 O ATOM 205 CB PRO A 17 -5.867 7.611 8.885 1.00 0.00 C ATOM 206 CG PRO A 17 -4.919 8.654 8.403 1.00 0.00 C ATOM 207 CD PRO A 17 -3.644 8.442 9.172 1.00 0.00 C ATOM 0 HA PRO A 17 -5.350 5.806 10.047 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.606 7.365 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.416 7.950 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.748 8.560 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.318 9.654 8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.768 8.697 8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.609 9.059 10.070 1.00 0.00 H new ATOM 215 N CYS A 18 -6.030 4.732 7.802 1.00 0.00 N ATOM 216 CA CYS A 18 -6.110 3.779 6.702 1.00 0.00 C ATOM 217 C CYS A 18 -6.562 4.468 5.417 1.00 0.00 C ATOM 218 O CYS A 18 -7.177 5.534 5.455 1.00 0.00 O ATOM 219 CB CYS A 18 -7.074 2.644 7.052 1.00 0.00 C ATOM 220 SG CYS A 18 -7.160 1.327 5.796 1.00 0.00 S ATOM 0 H CYS A 18 -6.878 4.797 8.366 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.115 3.364 6.540 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.772 2.205 8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.071 3.060 7.196 1.00 0.00 H new ATOM 225 N LEU A 19 -6.253 3.851 4.282 1.00 0.00 N ATOM 226 CA LEU A 19 -6.627 4.404 2.985 1.00 0.00 C ATOM 227 C LEU A 19 -8.086 4.096 2.662 1.00 0.00 C ATOM 228 O LEU A 19 -8.812 4.949 2.151 1.00 0.00 O ATOM 229 CB LEU A 19 -5.721 3.841 1.888 1.00 0.00 C ATOM 230 CG LEU A 19 -4.218 3.903 2.162 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.884 5.102 3.035 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.740 2.615 2.816 1.00 0.00 C ATOM 0 H LEU A 19 -5.745 2.968 4.233 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.504 5.486 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.996 2.800 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.924 4.382 0.964 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.700 4.017 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.810 5.130 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.189 6.017 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.413 5.020 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.668 2.678 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.265 2.470 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.944 1.773 2.154 1.00 0.00 H new ATOM 244 N PHE A 20 -8.509 2.874 2.967 1.00 0.00 N ATOM 245 CA PHE A 20 -9.882 2.454 2.711 1.00 0.00 C ATOM 246 C PHE A 20 -10.804 2.890 3.845 1.00 0.00 C ATOM 247 O PHE A 20 -11.898 3.404 3.609 1.00 0.00 O ATOM 248 CB PHE A 20 -9.949 0.935 2.539 1.00 0.00 C ATOM 249 CG PHE A 20 -9.093 0.421 1.417 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.571 0.397 0.117 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.809 -0.039 1.664 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.785 -0.077 -0.916 1.00 0.00 C ATOM 253 CE2 PHE A 20 -7.018 -0.514 0.634 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.507 -0.532 -0.658 1.00 0.00 C ATOM 0 H PHE A 20 -7.921 2.157 3.392 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.217 2.932 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.640 0.458 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.984 0.643 2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.569 0.753 -0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.422 -0.026 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.170 -0.092 -1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.019 -0.870 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.891 -0.901 -1.465 1.00 0.00 H new ATOM 264 N CYS A 21 -10.356 2.681 5.078 1.00 0.00 N ATOM 265 CA CYS A 21 -11.139 3.050 6.251 1.00 0.00 C ATOM 266 C CYS A 21 -10.454 4.167 7.033 1.00 0.00 C ATOM 267 O CYS A 21 -9.420 4.688 6.615 1.00 0.00 O ATOM 268 CB CYS A 21 -11.348 1.834 7.155 1.00 0.00 C ATOM 269 SG CYS A 21 -9.842 1.280 8.017 1.00 0.00 S ATOM 0 H CYS A 21 -9.453 2.257 5.291 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.109 3.411 5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.111 2.073 7.896 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.734 1.010 6.554 1.00 0.00 H new ATOM 274 N ASP A 22 -11.038 4.529 8.170 1.00 0.00 N ATOM 275 CA ASP A 22 -10.484 5.583 9.013 1.00 0.00 C ATOM 276 C ASP A 22 -9.848 4.996 10.269 1.00 0.00 C ATOM 277 O ASP A 22 -10.047 5.505 11.373 1.00 0.00 O ATOM 278 CB ASP A 22 -11.574 6.584 9.397 1.00 0.00 C ATOM 279 CG ASP A 22 -11.011 7.826 10.061 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.870 7.823 11.301 1.00 0.00 O ATOM 281 OD2 ASP A 22 -10.714 8.801 9.339 1.00 0.00 O ATOM 0 H ASP A 22 -11.895 4.108 8.529 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.711 6.101 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.129 6.873 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.283 6.104 10.072 1.00 0.00 H new ATOM 286 N ARG A 23 -9.084 3.923 10.094 1.00 0.00 N ATOM 287 CA ARG A 23 -8.422 3.266 11.215 1.00 0.00 C ATOM 288 C ARG A 23 -7.016 3.823 11.418 1.00 0.00 C ATOM 289 O ARG A 23 -6.170 3.743 10.526 1.00 0.00 O ATOM 290 CB ARG A 23 -8.354 1.756 10.980 1.00 0.00 C ATOM 291 CG ARG A 23 -9.654 1.032 11.293 1.00 0.00 C ATOM 292 CD ARG A 23 -9.519 -0.468 11.086 1.00 0.00 C ATOM 293 NE ARG A 23 -10.703 -1.192 11.542 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.689 -2.468 11.910 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.557 -3.158 11.876 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.807 -3.057 12.313 1.00 0.00 N ATOM 0 H ARG A 23 -8.908 3.490 9.187 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.005 3.462 12.115 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.086 1.570 9.940 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.557 1.337 11.594 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.945 1.234 12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.450 1.418 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.353 -0.675 10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.643 -0.831 11.623 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.590 -0.690 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.695 -2.709 11.567 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.548 -4.138 12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.680 -2.530 12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.794 -4.037 12.595 1.00 0.00 H new ATOM 310 N LEU A 24 -6.774 4.388 12.596 1.00 0.00 N ATOM 311 CA LEU A 24 -5.471 4.960 12.916 1.00 0.00 C ATOM 312 C LEU A 24 -4.504 3.879 13.390 1.00 0.00 C ATOM 313 O LEU A 24 -4.884 2.971 14.129 1.00 0.00 O ATOM 314 CB LEU A 24 -5.615 6.038 13.992 1.00 0.00 C ATOM 315 CG LEU A 24 -6.243 7.357 13.541 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.574 8.229 14.742 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.312 8.091 12.587 1.00 0.00 C ATOM 0 H LEU A 24 -7.463 4.462 13.345 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.068 5.412 12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.216 5.632 14.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.627 6.250 14.400 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.170 7.135 13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.020 9.163 14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.278 7.705 15.389 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.661 8.444 15.298 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.775 9.028 12.276 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.368 8.302 13.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.125 7.470 11.711 1.00 0.00 H new ATOM 329 N PHE A 25 -3.250 3.985 12.960 1.00 0.00 N ATOM 330 CA PHE A 25 -2.228 3.017 13.341 1.00 0.00 C ATOM 331 C PHE A 25 -0.981 3.722 13.868 1.00 0.00 C ATOM 332 O PHE A 25 -0.865 4.945 13.785 1.00 0.00 O ATOM 333 CB PHE A 25 -1.862 2.134 12.146 1.00 0.00 C ATOM 334 CG PHE A 25 -2.989 1.257 11.681 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.028 1.782 10.930 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.009 -0.092 11.996 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.066 0.977 10.501 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.045 -0.902 11.570 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.075 -0.367 10.821 1.00 0.00 C ATOM 0 H PHE A 25 -2.918 4.731 12.348 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.633 2.391 14.136 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.542 2.769 11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.012 1.507 12.415 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.027 2.832 10.677 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.206 -0.516 12.581 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.870 1.398 9.916 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.049 -1.952 11.823 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.885 -0.998 10.486 1.00 0.00 H new ATOM 349 N ALA A 26 -0.053 2.942 14.410 1.00 0.00 N ATOM 350 CA ALA A 26 1.186 3.490 14.950 1.00 0.00 C ATOM 351 C ALA A 26 2.238 3.648 13.857 1.00 0.00 C ATOM 352 O ALA A 26 2.840 4.712 13.711 1.00 0.00 O ATOM 353 CB ALA A 26 1.713 2.603 16.068 1.00 0.00 C ATOM 0 H ALA A 26 -0.135 1.928 14.487 1.00 0.00 H new ATOM 0 HA ALA A 26 0.970 4.478 15.357 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.638 3.024 16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.973 2.545 16.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.906 1.603 15.679 1.00 0.00 H new ATOM 359 N SER A 27 2.454 2.583 13.092 1.00 0.00 N ATOM 360 CA SER A 27 3.438 2.603 12.015 1.00 0.00 C ATOM 361 C SER A 27 2.778 2.306 10.672 1.00 0.00 C ATOM 362 O SER A 27 1.730 1.663 10.611 1.00 0.00 O ATOM 363 CB SER A 27 4.545 1.584 12.289 1.00 0.00 C ATOM 364 OG SER A 27 4.002 0.323 12.641 1.00 0.00 O ATOM 0 H SER A 27 1.962 1.696 13.197 1.00 0.00 H new ATOM 0 HA SER A 27 3.875 3.601 11.973 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.174 1.479 11.405 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.185 1.945 13.094 1.00 0.00 H new ATOM 0 HG SER A 27 4.730 -0.311 12.809 1.00 0.00 H new ATOM 370 N ALA A 28 3.399 2.780 9.597 1.00 0.00 N ATOM 371 CA ALA A 28 2.875 2.565 8.254 1.00 0.00 C ATOM 372 C ALA A 28 2.754 1.077 7.944 1.00 0.00 C ATOM 373 O ALA A 28 1.893 0.664 7.168 1.00 0.00 O ATOM 374 CB ALA A 28 3.762 3.250 7.225 1.00 0.00 C ATOM 0 H ALA A 28 4.266 3.316 9.630 1.00 0.00 H new ATOM 0 HA ALA A 28 1.878 3.002 8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.358 3.081 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.794 4.321 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.770 2.840 7.283 1.00 0.00 H new ATOM 380 N GLU A 29 3.622 0.277 8.556 1.00 0.00 N ATOM 381 CA GLU A 29 3.612 -1.166 8.343 1.00 0.00 C ATOM 382 C GLU A 29 2.378 -1.801 8.978 1.00 0.00 C ATOM 383 O GLU A 29 1.703 -2.623 8.359 1.00 0.00 O ATOM 384 CB GLU A 29 4.879 -1.798 8.922 1.00 0.00 C ATOM 385 CG GLU A 29 6.098 -1.648 8.027 1.00 0.00 C ATOM 386 CD GLU A 29 7.342 -2.276 8.624 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.216 -3.324 9.292 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.442 -1.719 8.424 1.00 0.00 O ATOM 0 H GLU A 29 4.340 0.603 9.203 1.00 0.00 H new ATOM 0 HA GLU A 29 3.582 -1.349 7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.091 -1.344 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.698 -2.858 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.892 -2.107 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.282 -0.589 7.845 1.00 0.00 H new ATOM 395 N GLU A 30 2.091 -1.413 10.216 1.00 0.00 N ATOM 396 CA GLU A 30 0.939 -1.945 10.935 1.00 0.00 C ATOM 397 C GLU A 30 -0.326 -1.843 10.088 1.00 0.00 C ATOM 398 O GLU A 30 -1.114 -2.786 10.011 1.00 0.00 O ATOM 399 CB GLU A 30 0.744 -1.198 12.256 1.00 0.00 C ATOM 400 CG GLU A 30 1.517 -1.802 13.417 1.00 0.00 C ATOM 401 CD GLU A 30 1.120 -1.206 14.754 1.00 0.00 C ATOM 402 OE1 GLU A 30 -0.036 -0.751 14.882 1.00 0.00 O ATOM 403 OE2 GLU A 30 1.966 -1.196 15.673 1.00 0.00 O ATOM 0 H GLU A 30 2.640 -0.733 10.742 1.00 0.00 H new ATOM 0 HA GLU A 30 1.130 -2.997 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.052 -0.161 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.317 -1.187 12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.350 -2.879 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.584 -1.648 13.257 1.00 0.00 H new ATOM 410 N THR A 31 -0.514 -0.690 9.454 1.00 0.00 N ATOM 411 CA THR A 31 -1.683 -0.462 8.614 1.00 0.00 C ATOM 412 C THR A 31 -1.697 -1.410 7.421 1.00 0.00 C ATOM 413 O THR A 31 -2.590 -2.248 7.291 1.00 0.00 O ATOM 414 CB THR A 31 -1.732 0.990 8.101 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.437 1.897 9.170 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.100 1.313 7.519 1.00 0.00 C ATOM 0 H THR A 31 0.128 0.101 9.506 1.00 0.00 H new ATOM 0 HA THR A 31 -2.559 -0.651 9.235 1.00 0.00 H new ATOM 0 HB THR A 31 -0.985 1.099 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.192 1.923 9.795 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.110 2.343 7.164 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.310 0.640 6.687 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.862 1.187 8.288 1.00 0.00 H new ATOM 424 N PHE A 32 -0.701 -1.275 6.552 1.00 0.00 N ATOM 425 CA PHE A 32 -0.599 -2.120 5.368 1.00 0.00 C ATOM 426 C PHE A 32 -1.113 -3.527 5.659 1.00 0.00 C ATOM 427 O PHE A 32 -2.058 -3.998 5.027 1.00 0.00 O ATOM 428 CB PHE A 32 0.851 -2.185 4.885 1.00 0.00 C ATOM 429 CG PHE A 32 1.277 -0.974 4.105 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.469 -0.458 3.105 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.486 -0.351 4.371 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.859 0.656 2.385 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.881 0.763 3.655 1.00 0.00 C ATOM 434 CZ PHE A 32 2.066 1.267 2.661 1.00 0.00 C ATOM 0 H PHE A 32 0.047 -0.588 6.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.216 -1.681 4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.508 -2.302 5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.979 -3.071 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.477 -0.931 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.127 -0.741 5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.220 1.048 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.826 1.239 3.873 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.372 2.138 2.100 1.00 0.00 H new ATOM 444 N SER A 33 -0.482 -4.194 6.620 1.00 0.00 N ATOM 445 CA SER A 33 -0.871 -5.549 6.993 1.00 0.00 C ATOM 446 C SER A 33 -2.379 -5.643 7.203 1.00 0.00 C ATOM 447 O SER A 33 -3.036 -6.544 6.680 1.00 0.00 O ATOM 448 CB SER A 33 -0.140 -5.981 8.266 1.00 0.00 C ATOM 449 OG SER A 33 1.248 -6.140 8.027 1.00 0.00 O ATOM 0 H SER A 33 0.301 -3.818 7.155 1.00 0.00 H new ATOM 0 HA SER A 33 -0.592 -6.217 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.295 -5.238 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.560 -6.919 8.630 1.00 0.00 H new ATOM 0 HG SER A 33 1.693 -6.415 8.856 1.00 0.00 H new ATOM 455 N HIS A 34 -2.922 -4.705 7.973 1.00 0.00 N ATOM 456 CA HIS A 34 -4.354 -4.679 8.252 1.00 0.00 C ATOM 457 C HIS A 34 -5.159 -4.593 6.959 1.00 0.00 C ATOM 458 O HIS A 34 -6.250 -5.155 6.858 1.00 0.00 O ATOM 459 CB HIS A 34 -4.697 -3.498 9.160 1.00 0.00 C ATOM 460 CG HIS A 34 -6.053 -2.918 8.901 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.224 -3.552 9.259 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.421 -1.753 8.318 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.253 -2.804 8.905 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.794 -1.707 8.332 1.00 0.00 N ATOM 0 H HIS A 34 -2.393 -3.953 8.415 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.616 -5.607 8.761 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.642 -3.821 10.199 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.946 -2.719 9.028 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.286 -4.457 9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.759 -1.000 7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.294 -3.048 9.058 1.00 0.00 H new ATOM 472 N CYS A 35 -4.614 -3.887 5.975 1.00 0.00 N ATOM 473 CA CYS A 35 -5.282 -3.726 4.689 1.00 0.00 C ATOM 474 C CYS A 35 -5.259 -5.029 3.897 1.00 0.00 C ATOM 475 O CYS A 35 -6.096 -5.252 3.022 1.00 0.00 O ATOM 476 CB CYS A 35 -4.616 -2.612 3.880 1.00 0.00 C ATOM 477 SG CYS A 35 -4.496 -1.034 4.756 1.00 0.00 S ATOM 0 H CYS A 35 -3.711 -3.417 6.043 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.321 -3.456 4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.615 -2.934 3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.178 -2.462 2.958 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.687 -0.544 4.933 1.00 0.00 H new ATOM 483 N LYS A 36 -4.294 -5.887 4.209 1.00 0.00 N ATOM 484 CA LYS A 36 -4.160 -7.169 3.527 1.00 0.00 C ATOM 485 C LYS A 36 -4.886 -8.271 4.292 1.00 0.00 C ATOM 486 O LYS A 36 -5.093 -9.368 3.773 1.00 0.00 O ATOM 487 CB LYS A 36 -2.682 -7.533 3.367 1.00 0.00 C ATOM 488 CG LYS A 36 -1.877 -6.491 2.610 1.00 0.00 C ATOM 489 CD LYS A 36 -0.402 -6.554 2.972 1.00 0.00 C ATOM 490 CE LYS A 36 0.307 -5.249 2.646 1.00 0.00 C ATOM 491 NZ LYS A 36 1.777 -5.347 2.866 1.00 0.00 N ATOM 0 H LYS A 36 -3.593 -5.718 4.930 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.614 -7.076 2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.242 -7.673 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.606 -8.487 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.996 -6.646 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.265 -5.497 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.296 -6.771 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.072 -7.372 2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.112 -4.979 1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.100 -4.450 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.148 -4.418 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.970 -6.042 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.240 -5.650 1.985 1.00 0.00 H new ATOM 505 N LEU A 37 -5.271 -7.972 5.528 1.00 0.00 N ATOM 506 CA LEU A 37 -5.976 -8.936 6.364 1.00 0.00 C ATOM 507 C LEU A 37 -7.485 -8.733 6.276 1.00 0.00 C ATOM 508 O LEU A 37 -8.253 -9.694 6.312 1.00 0.00 O ATOM 509 CB LEU A 37 -5.517 -8.812 7.818 1.00 0.00 C ATOM 510 CG LEU A 37 -4.040 -9.108 8.083 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.577 -8.414 9.355 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.806 -10.609 8.177 1.00 0.00 C ATOM 0 H LEU A 37 -5.106 -7.069 5.973 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.741 -9.936 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.731 -7.800 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.117 -9.488 8.427 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.456 -8.721 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.524 -8.636 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.709 -7.337 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.166 -8.771 10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.750 -10.801 8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.401 -11.020 8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.099 -11.082 7.240 1.00 0.00 H new ATOM 524 N GLU A 38 -7.902 -7.476 6.160 1.00 0.00 N ATOM 525 CA GLU A 38 -9.320 -7.148 6.065 1.00 0.00 C ATOM 526 C GLU A 38 -9.706 -6.812 4.628 1.00 0.00 C ATOM 527 O GLU A 38 -10.526 -7.497 4.017 1.00 0.00 O ATOM 528 CB GLU A 38 -9.656 -5.972 6.984 1.00 0.00 C ATOM 529 CG GLU A 38 -9.458 -6.276 8.460 1.00 0.00 C ATOM 530 CD GLU A 38 -10.506 -7.226 9.005 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.695 -6.846 9.035 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.136 -8.351 9.403 1.00 0.00 O ATOM 0 H GLU A 38 -7.279 -6.669 6.130 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.891 -8.021 6.381 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.034 -5.119 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.692 -5.677 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.469 -6.708 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.487 -5.345 9.026 1.00 0.00 H new ATOM 539 N HIS A 39 -9.108 -5.751 4.094 1.00 0.00 N ATOM 540 CA HIS A 39 -9.389 -5.322 2.728 1.00 0.00 C ATOM 541 C HIS A 39 -8.752 -6.273 1.719 1.00 0.00 C ATOM 542 O HIS A 39 -9.244 -6.427 0.602 1.00 0.00 O ATOM 543 CB HIS A 39 -8.875 -3.900 2.502 1.00 0.00 C ATOM 544 CG HIS A 39 -9.392 -2.911 3.501 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.714 -2.853 3.889 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.755 -1.938 4.194 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.868 -1.886 4.776 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.694 -1.316 4.979 1.00 0.00 N ATOM 0 H HIS A 39 -8.426 -5.173 4.586 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.469 -5.337 2.583 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.786 -3.906 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.158 -3.575 1.501 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.457 -3.462 3.545 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.704 -1.696 4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.796 -1.609 5.254 1.00 0.00 H new ATOM 556 N GLN A 40 -7.654 -6.905 2.120 1.00 0.00 N ATOM 557 CA GLN A 40 -6.949 -7.838 1.250 1.00 0.00 C ATOM 558 C GLN A 40 -6.278 -7.104 0.094 1.00 0.00 C ATOM 559 O GLN A 40 -6.162 -7.637 -1.010 1.00 0.00 O ATOM 560 CB GLN A 40 -7.916 -8.892 0.707 1.00 0.00 C ATOM 561 CG GLN A 40 -8.867 -9.443 1.757 1.00 0.00 C ATOM 562 CD GLN A 40 -8.221 -10.500 2.632 1.00 0.00 C ATOM 563 OE1 GLN A 40 -7.057 -10.854 2.441 1.00 0.00 O ATOM 564 NE2 GLN A 40 -8.975 -11.010 3.599 1.00 0.00 N ATOM 0 H GLN A 40 -7.233 -6.788 3.042 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.177 -8.332 1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.498 -8.455 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.342 -9.715 0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.223 -8.626 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.740 -9.869 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.935 -10.687 3.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.594 -11.724 4.219 1.00 0.00 H new ATOM 573 N PHE A 41 -5.837 -5.878 0.355 1.00 0.00 N ATOM 574 CA PHE A 41 -5.178 -5.069 -0.665 1.00 0.00 C ATOM 575 C PHE A 41 -3.692 -4.911 -0.357 1.00 0.00 C ATOM 576 O PHE A 41 -3.309 -4.145 0.526 1.00 0.00 O ATOM 577 CB PHE A 41 -5.840 -3.693 -0.761 1.00 0.00 C ATOM 578 CG PHE A 41 -4.976 -2.657 -1.419 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.915 -2.562 -2.801 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.225 -1.776 -0.658 1.00 0.00 C ATOM 581 CE1 PHE A 41 -4.119 -1.610 -3.409 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.428 -0.821 -1.261 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.376 -0.737 -2.639 1.00 0.00 C ATOM 0 H PHE A 41 -5.924 -5.423 1.264 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.280 -5.581 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.772 -3.785 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.101 -3.354 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.496 -3.240 -3.409 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.263 -1.836 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.078 -1.549 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.847 -0.141 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.756 0.010 -3.113 1.00 0.00 H new ATOM 593 N ASN A 42 -2.861 -5.641 -1.092 1.00 0.00 N ATOM 594 CA ASN A 42 -1.416 -5.584 -0.898 1.00 0.00 C ATOM 595 C ASN A 42 -0.812 -4.406 -1.657 1.00 0.00 C ATOM 596 O ASN A 42 -0.926 -4.320 -2.880 1.00 0.00 O ATOM 597 CB ASN A 42 -0.766 -6.890 -1.358 1.00 0.00 C ATOM 598 CG ASN A 42 -1.070 -8.047 -0.425 1.00 0.00 C ATOM 599 OD1 ASN A 42 -0.253 -8.407 0.422 1.00 0.00 O ATOM 600 ND2 ASN A 42 -2.251 -8.635 -0.578 1.00 0.00 N ATOM 0 H ASN A 42 -3.163 -6.280 -1.828 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.222 -5.446 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.117 -7.134 -2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.313 -6.753 -1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.512 -9.419 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.897 -8.303 -1.294 1.00 0.00 H new ATOM 607 N ILE A 43 -0.169 -3.504 -0.924 1.00 0.00 N ATOM 608 CA ILE A 43 0.455 -2.333 -1.529 1.00 0.00 C ATOM 609 C ILE A 43 1.709 -2.718 -2.305 1.00 0.00 C ATOM 610 O ILE A 43 1.928 -2.249 -3.422 1.00 0.00 O ATOM 611 CB ILE A 43 0.825 -1.281 -0.467 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.430 -0.043 -1.133 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.794 -1.870 0.547 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.423 0.779 -1.906 1.00 0.00 C ATOM 0 H ILE A 43 -0.066 -3.561 0.089 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.276 -1.904 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.082 -0.982 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.888 0.584 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.227 -0.356 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.046 -1.114 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.330 -2.724 1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.701 -2.194 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.921 1.640 -2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.018 0.168 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.361 1.122 -1.231 1.00 0.00 H new ATOM 626 N ASP A 44 2.528 -3.577 -1.708 1.00 0.00 N ATOM 627 CA ASP A 44 3.760 -4.028 -2.345 1.00 0.00 C ATOM 628 C ASP A 44 3.507 -4.427 -3.795 1.00 0.00 C ATOM 629 O ASP A 44 4.226 -4.003 -4.700 1.00 0.00 O ATOM 630 CB ASP A 44 4.355 -5.208 -1.574 1.00 0.00 C ATOM 631 CG ASP A 44 3.291 -6.148 -1.042 1.00 0.00 C ATOM 632 OD1 ASP A 44 2.701 -5.839 0.015 1.00 0.00 O ATOM 633 OD2 ASP A 44 3.047 -7.191 -1.683 1.00 0.00 O ATOM 0 H ASP A 44 2.361 -3.975 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 44 4.470 -3.201 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.031 -5.761 -2.227 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.951 -4.832 -0.743 1.00 0.00 H new ATOM 638 N SER A 45 2.482 -5.246 -4.008 1.00 0.00 N ATOM 639 CA SER A 45 2.137 -5.706 -5.348 1.00 0.00 C ATOM 640 C SER A 45 2.068 -4.535 -6.324 1.00 0.00 C ATOM 641 O SER A 45 2.603 -4.604 -7.431 1.00 0.00 O ATOM 642 CB SER A 45 0.798 -6.446 -5.327 1.00 0.00 C ATOM 643 OG SER A 45 0.622 -7.216 -6.504 1.00 0.00 O ATOM 0 H SER A 45 1.876 -5.605 -3.270 1.00 0.00 H new ATOM 0 HA SER A 45 2.917 -6.390 -5.682 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.752 -7.096 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.017 -5.728 -5.233 1.00 0.00 H new ATOM 0 HG SER A 45 -0.240 -7.680 -6.465 1.00 0.00 H new ATOM 649 N MET A 46 1.407 -3.462 -5.905 1.00 0.00 N ATOM 650 CA MET A 46 1.269 -2.275 -6.741 1.00 0.00 C ATOM 651 C MET A 46 2.636 -1.720 -7.127 1.00 0.00 C ATOM 652 O MET A 46 2.980 -1.655 -8.307 1.00 0.00 O ATOM 653 CB MET A 46 0.457 -1.202 -6.011 1.00 0.00 C ATOM 654 CG MET A 46 -0.954 -1.643 -5.659 1.00 0.00 C ATOM 655 SD MET A 46 -2.124 -0.272 -5.632 1.00 0.00 S ATOM 656 CE MET A 46 -2.982 -0.529 -7.183 1.00 0.00 C ATOM 0 H MET A 46 0.958 -3.389 -4.992 1.00 0.00 H new ATOM 0 HA MET A 46 0.743 -2.562 -7.652 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.980 -0.921 -5.097 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.405 -0.310 -6.635 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.289 -2.387 -6.382 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.946 -2.128 -4.683 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.441 0.406 -7.504 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.273 -0.864 -7.940 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.755 -1.286 -7.050 1.00 0.00 H new ATOM 666 N VAL A 47 3.412 -1.320 -6.124 1.00 0.00 N ATOM 667 CA VAL A 47 4.742 -0.771 -6.359 1.00 0.00 C ATOM 668 C VAL A 47 5.464 -1.533 -7.465 1.00 0.00 C ATOM 669 O VAL A 47 6.186 -0.945 -8.270 1.00 0.00 O ATOM 670 CB VAL A 47 5.599 -0.810 -5.080 1.00 0.00 C ATOM 671 CG1 VAL A 47 7.001 -0.289 -5.360 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.936 -0.009 -3.970 1.00 0.00 C ATOM 0 H VAL A 47 3.142 -1.366 -5.141 1.00 0.00 H new ATOM 0 HA VAL A 47 4.607 0.266 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 47 5.681 -1.846 -4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.592 -0.324 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.474 -0.909 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.943 0.740 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.555 -0.047 -3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.821 1.027 -4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.955 -0.432 -3.752 1.00 0.00 H new ATOM 682 N HIS A 48 5.264 -2.847 -7.498 1.00 0.00 N ATOM 683 CA HIS A 48 5.895 -3.691 -8.507 1.00 0.00 C ATOM 684 C HIS A 48 5.085 -3.691 -9.800 1.00 0.00 C ATOM 685 O HIS A 48 5.643 -3.750 -10.895 1.00 0.00 O ATOM 686 CB HIS A 48 6.044 -5.120 -7.985 1.00 0.00 C ATOM 687 CG HIS A 48 7.142 -5.279 -6.979 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.447 -5.556 -7.327 1.00 0.00 N ATOM 689 CD2 HIS A 48 7.124 -5.196 -5.628 1.00 0.00 C ATOM 690 CE1 HIS A 48 9.184 -5.638 -6.233 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.405 -5.423 -5.189 1.00 0.00 N ATOM 0 H HIS A 48 4.671 -3.350 -6.838 1.00 0.00 H new ATOM 0 HA HIS A 48 6.884 -3.284 -8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.102 -5.434 -7.535 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.233 -5.787 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.262 -4.990 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.243 -5.846 -6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.706 -5.425 -4.214 1.00 0.00 H new ATOM 699 N LYS A 49 3.764 -3.625 -9.665 1.00 0.00 N ATOM 700 CA LYS A 49 2.876 -3.617 -10.821 1.00 0.00 C ATOM 701 C LYS A 49 3.136 -2.396 -11.699 1.00 0.00 C ATOM 702 O LYS A 49 3.632 -2.519 -12.819 1.00 0.00 O ATOM 703 CB LYS A 49 1.415 -3.630 -10.368 1.00 0.00 C ATOM 704 CG LYS A 49 0.456 -4.162 -11.419 1.00 0.00 C ATOM 705 CD LYS A 49 0.116 -3.101 -12.452 1.00 0.00 C ATOM 706 CE LYS A 49 -1.031 -3.543 -13.348 1.00 0.00 C ATOM 707 NZ LYS A 49 -0.620 -4.634 -14.275 1.00 0.00 N ATOM 0 H LYS A 49 3.285 -3.576 -8.766 1.00 0.00 H new ATOM 0 HA LYS A 49 3.076 -4.514 -11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.328 -4.239 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.118 -2.617 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.901 -5.025 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.458 -4.508 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.152 -2.173 -11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.995 -2.890 -13.061 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.863 -3.884 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.390 -2.691 -13.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.429 -4.908 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.157 -4.301 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.301 -5.456 -13.724 1.00 0.00 H new ATOM 721 N HIS A 50 2.801 -1.219 -11.181 1.00 0.00 N ATOM 722 CA HIS A 50 3.000 0.024 -11.917 1.00 0.00 C ATOM 723 C HIS A 50 4.365 0.629 -11.603 1.00 0.00 C ATOM 724 O HIS A 50 4.560 1.839 -11.712 1.00 0.00 O ATOM 725 CB HIS A 50 1.896 1.026 -11.578 1.00 0.00 C ATOM 726 CG HIS A 50 0.519 0.531 -11.900 1.00 0.00 C ATOM 727 ND1 HIS A 50 0.085 0.298 -13.188 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.522 0.223 -11.093 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.164 -0.130 -13.159 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.556 -0.185 -11.899 1.00 0.00 N ATOM 0 H HIS A 50 2.391 -1.100 -10.255 1.00 0.00 H new ATOM 0 HA HIS A 50 2.959 -0.204 -12.982 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.948 1.266 -10.516 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.077 1.952 -12.123 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.537 0.286 -10.015 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.763 -0.391 -14.019 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.477 -0.482 -11.577 1.00 0.00 H new ATOM 738 N GLY A 51 5.308 -0.222 -11.210 1.00 0.00 N ATOM 739 CA GLY A 51 6.643 0.247 -10.885 1.00 0.00 C ATOM 740 C GLY A 51 6.633 1.612 -10.227 1.00 0.00 C ATOM 741 O GLY A 51 7.452 2.472 -10.552 1.00 0.00 O ATOM 0 H GLY A 51 5.171 -1.228 -11.111 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.125 -0.470 -10.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.241 0.290 -11.795 1.00 0.00 H new ATOM 745 N LEU A 52 5.702 1.814 -9.301 1.00 0.00 N ATOM 746 CA LEU A 52 5.587 3.086 -8.596 1.00 0.00 C ATOM 747 C LEU A 52 6.941 3.532 -8.054 1.00 0.00 C ATOM 748 O LEU A 52 7.490 2.914 -7.144 1.00 0.00 O ATOM 749 CB LEU A 52 4.581 2.967 -7.450 1.00 0.00 C ATOM 750 CG LEU A 52 3.200 2.425 -7.823 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.468 1.934 -6.584 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.384 3.491 -8.539 1.00 0.00 C ATOM 0 H LEU A 52 5.016 1.113 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 52 5.235 3.836 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.008 2.320 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.454 3.952 -7.001 1.00 0.00 H new ATOM 0 HG LEU A 52 3.332 1.582 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.487 1.552 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.045 1.138 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.346 2.759 -5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.405 3.088 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.260 4.355 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.902 3.796 -9.449 1.00 0.00 H new ATOM 764 N GLU A 53 7.472 4.612 -8.620 1.00 0.00 N ATOM 765 CA GLU A 53 8.761 5.142 -8.192 1.00 0.00 C ATOM 766 C GLU A 53 8.628 5.899 -6.874 1.00 0.00 C ATOM 767 O GLU A 53 7.526 6.076 -6.355 1.00 0.00 O ATOM 768 CB GLU A 53 9.341 6.064 -9.267 1.00 0.00 C ATOM 769 CG GLU A 53 9.902 5.322 -10.468 1.00 0.00 C ATOM 770 CD GLU A 53 8.821 4.858 -11.424 1.00 0.00 C ATOM 771 OE1 GLU A 53 7.732 5.469 -11.431 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.064 3.883 -12.166 1.00 0.00 O ATOM 0 H GLU A 53 7.030 5.136 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 53 9.438 4.301 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.563 6.749 -9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.130 6.672 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.597 5.972 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.472 4.459 -10.124 1.00 0.00 H new ATOM 779 N PHE A 54 9.759 6.344 -6.337 1.00 0.00 N ATOM 780 CA PHE A 54 9.770 7.081 -5.079 1.00 0.00 C ATOM 781 C PHE A 54 8.541 7.977 -4.962 1.00 0.00 C ATOM 782 O PHE A 54 7.836 7.955 -3.953 1.00 0.00 O ATOM 783 CB PHE A 54 11.042 7.924 -4.968 1.00 0.00 C ATOM 784 CG PHE A 54 10.989 8.947 -3.870 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.430 10.195 -4.094 1.00 0.00 C ATOM 786 CD2 PHE A 54 11.498 8.661 -2.613 1.00 0.00 C ATOM 787 CE1 PHE A 54 10.381 11.139 -3.085 1.00 0.00 C ATOM 788 CE2 PHE A 54 11.452 9.601 -1.600 1.00 0.00 C ATOM 789 CZ PHE A 54 10.891 10.841 -1.837 1.00 0.00 C ATOM 0 H PHE A 54 10.680 6.207 -6.753 1.00 0.00 H new ATOM 0 HA PHE A 54 9.749 6.358 -4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.892 7.264 -4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.217 8.430 -5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.028 10.433 -5.068 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.936 7.692 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.944 12.109 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.854 9.366 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.851 11.576 -1.047 1.00 0.00 H new ATOM 799 N TYR A 55 8.290 8.764 -6.002 1.00 0.00 N ATOM 800 CA TYR A 55 7.147 9.670 -6.016 1.00 0.00 C ATOM 801 C TYR A 55 5.870 8.931 -6.403 1.00 0.00 C ATOM 802 O TYR A 55 4.829 9.094 -5.769 1.00 0.00 O ATOM 803 CB TYR A 55 7.397 10.823 -6.990 1.00 0.00 C ATOM 804 CG TYR A 55 8.270 11.918 -6.421 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.758 12.849 -5.526 1.00 0.00 C ATOM 806 CD2 TYR A 55 9.609 12.021 -6.778 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.552 13.851 -5.004 1.00 0.00 C ATOM 808 CE2 TYR A 55 10.412 13.020 -6.260 1.00 0.00 C ATOM 809 CZ TYR A 55 9.879 13.932 -5.374 1.00 0.00 C ATOM 810 OH TYR A 55 10.674 14.928 -4.855 1.00 0.00 O ATOM 0 H TYR A 55 8.862 8.793 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 55 7.022 10.072 -5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.864 10.430 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.439 11.251 -7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.720 12.788 -5.233 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.030 11.308 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.137 14.567 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 55 11.451 13.086 -6.548 1.00 0.00 H new ATOM 0 HH TYR A 55 11.581 14.844 -5.216 1.00 0.00 H new ATOM 820 N GLY A 56 5.960 8.114 -7.449 1.00 0.00 N ATOM 821 CA GLY A 56 4.806 7.361 -7.903 1.00 0.00 C ATOM 822 C GLY A 56 3.968 6.835 -6.754 1.00 0.00 C ATOM 823 O GLY A 56 2.795 7.184 -6.622 1.00 0.00 O ATOM 0 H GLY A 56 6.811 7.961 -7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.188 7.996 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.140 6.525 -8.517 1.00 0.00 H new ATOM 827 N TYR A 57 4.570 5.993 -5.921 1.00 0.00 N ATOM 828 CA TYR A 57 3.870 5.416 -4.780 1.00 0.00 C ATOM 829 C TYR A 57 3.062 6.478 -4.042 1.00 0.00 C ATOM 830 O TYR A 57 1.862 6.315 -3.816 1.00 0.00 O ATOM 831 CB TYR A 57 4.867 4.760 -3.822 1.00 0.00 C ATOM 832 CG TYR A 57 4.347 4.621 -2.410 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.470 3.597 -2.069 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.730 5.512 -1.416 1.00 0.00 C ATOM 835 CE1 TYR A 57 2.992 3.466 -0.780 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.258 5.388 -0.123 1.00 0.00 C ATOM 837 CZ TYR A 57 3.389 4.363 0.189 1.00 0.00 C ATOM 838 OH TYR A 57 2.915 4.237 1.475 1.00 0.00 O ATOM 0 H TYR A 57 5.541 5.695 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 57 3.182 4.658 -5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.128 3.773 -4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.784 5.349 -3.806 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.157 2.892 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.409 6.316 -1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.311 2.665 -0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.567 6.089 0.638 1.00 0.00 H new ATOM 0 HH TYR A 57 3.570 4.606 2.103 1.00 0.00 H new ATOM 848 N ILE A 58 3.727 7.566 -3.669 1.00 0.00 N ATOM 849 CA ILE A 58 3.071 8.656 -2.959 1.00 0.00 C ATOM 850 C ILE A 58 1.689 8.937 -3.537 1.00 0.00 C ATOM 851 O ILE A 58 0.707 9.047 -2.803 1.00 0.00 O ATOM 852 CB ILE A 58 3.909 9.947 -3.012 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.282 9.717 -2.377 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.179 11.082 -2.309 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.290 10.796 -2.708 1.00 0.00 C ATOM 0 H ILE A 58 4.720 7.716 -3.847 1.00 0.00 H new ATOM 0 HA ILE A 58 2.970 8.340 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 58 4.054 10.225 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.167 9.658 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.670 8.754 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.784 11.987 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.223 11.259 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.007 10.813 -1.267 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.240 10.567 -2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.434 10.841 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.923 11.758 -2.351 1.00 0.00 H new ATOM 867 N LYS A 59 1.619 9.049 -4.859 1.00 0.00 N ATOM 868 CA LYS A 59 0.356 9.314 -5.539 1.00 0.00 C ATOM 869 C LYS A 59 -0.662 8.218 -5.240 1.00 0.00 C ATOM 870 O LYS A 59 -1.843 8.496 -5.026 1.00 0.00 O ATOM 871 CB LYS A 59 0.579 9.420 -7.049 1.00 0.00 C ATOM 872 CG LYS A 59 1.551 10.517 -7.445 1.00 0.00 C ATOM 873 CD LYS A 59 1.678 10.632 -8.955 1.00 0.00 C ATOM 874 CE LYS A 59 2.879 11.478 -9.351 1.00 0.00 C ATOM 875 NZ LYS A 59 2.915 11.737 -10.817 1.00 0.00 N ATOM 0 H LYS A 59 2.422 8.960 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.036 10.261 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.951 8.465 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.379 9.601 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.214 11.469 -7.034 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.530 10.311 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.773 9.637 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.770 11.073 -9.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.848 12.427 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.796 10.971 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.748 12.316 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.971 10.833 -11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.052 12.243 -11.101 1.00 0.00 H new ATOM 889 N LEU A 60 -0.199 6.973 -5.227 1.00 0.00 N ATOM 890 CA LEU A 60 -1.069 5.835 -4.953 1.00 0.00 C ATOM 891 C LEU A 60 -1.765 5.995 -3.605 1.00 0.00 C ATOM 892 O LEU A 60 -2.980 5.824 -3.499 1.00 0.00 O ATOM 893 CB LEU A 60 -0.264 4.535 -4.973 1.00 0.00 C ATOM 894 CG LEU A 60 -1.071 3.244 -4.836 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.414 2.982 -3.378 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.335 3.312 -5.680 1.00 0.00 C ATOM 0 H LEU A 60 0.775 6.726 -5.403 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.830 5.795 -5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.296 4.492 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.466 4.571 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.461 2.417 -5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.989 2.059 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.495 2.888 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.005 3.811 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.896 2.384 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.949 4.149 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.066 3.451 -6.727 1.00 0.00 H new ATOM 908 N ILE A 61 -0.988 6.325 -2.579 1.00 0.00 N ATOM 909 CA ILE A 61 -1.531 6.510 -1.239 1.00 0.00 C ATOM 910 C ILE A 61 -2.553 7.642 -1.212 1.00 0.00 C ATOM 911 O ILE A 61 -3.731 7.421 -0.936 1.00 0.00 O ATOM 912 CB ILE A 61 -0.418 6.814 -0.218 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.605 5.676 -0.193 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.013 7.029 1.165 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.055 4.381 0.364 1.00 0.00 C ATOM 0 H ILE A 61 0.019 6.470 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.020 5.575 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 61 0.092 7.729 -0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.967 5.502 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.464 5.983 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.214 7.243 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.707 7.869 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.544 6.130 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.835 3.619 0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.281 4.539 1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.785 4.050 -0.246 1.00 0.00 H new ATOM 927 N ASN A 62 -2.092 8.855 -1.501 1.00 0.00 N ATOM 928 CA ASN A 62 -2.967 10.022 -1.511 1.00 0.00 C ATOM 929 C ASN A 62 -4.183 9.782 -2.400 1.00 0.00 C ATOM 930 O ASN A 62 -5.291 10.219 -2.086 1.00 0.00 O ATOM 931 CB ASN A 62 -2.201 11.254 -1.996 1.00 0.00 C ATOM 932 CG ASN A 62 -1.228 11.776 -0.957 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.507 11.746 0.242 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.078 12.259 -1.414 1.00 0.00 N ATOM 0 H ASN A 62 -1.119 9.055 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.313 10.195 -0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.657 11.005 -2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.910 12.041 -2.254 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.616 12.625 -0.763 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.111 12.264 -2.416 1.00 0.00 H new ATOM 941 N PHE A 63 -3.970 9.085 -3.511 1.00 0.00 N ATOM 942 CA PHE A 63 -5.048 8.788 -4.446 1.00 0.00 C ATOM 943 C PHE A 63 -6.265 8.230 -3.714 1.00 0.00 C ATOM 944 O PHE A 63 -7.381 8.725 -3.876 1.00 0.00 O ATOM 945 CB PHE A 63 -4.573 7.789 -5.504 1.00 0.00 C ATOM 946 CG PHE A 63 -5.691 7.010 -6.137 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.560 7.618 -7.027 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.872 5.668 -5.840 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.589 6.904 -7.612 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.899 4.949 -6.422 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.759 5.567 -7.308 1.00 0.00 C ATOM 0 H PHE A 63 -3.060 8.715 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.336 9.718 -4.937 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.029 8.326 -6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.870 7.093 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.432 8.663 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.204 5.179 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.259 7.390 -8.306 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.029 3.904 -6.184 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.563 5.007 -7.762 1.00 0.00 H new ATOM 961 N ILE A 64 -6.041 7.197 -2.908 1.00 0.00 N ATOM 962 CA ILE A 64 -7.118 6.572 -2.151 1.00 0.00 C ATOM 963 C ILE A 64 -7.640 7.507 -1.065 1.00 0.00 C ATOM 964 O ILE A 64 -8.817 7.462 -0.706 1.00 0.00 O ATOM 965 CB ILE A 64 -6.657 5.254 -1.500 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.910 4.391 -2.519 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.850 4.499 -0.932 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.341 3.118 -1.931 1.00 0.00 C ATOM 0 H ILE A 64 -5.123 6.776 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.919 6.358 -2.859 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.976 5.488 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.589 4.134 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.099 4.976 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.509 3.570 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.344 5.113 -0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.553 4.272 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.825 2.556 -2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.637 3.367 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.150 2.513 -1.522 1.00 0.00 H new ATOM 980 N ARG A 65 -6.757 8.354 -0.546 1.00 0.00 N ATOM 981 CA ARG A 65 -7.129 9.300 0.499 1.00 0.00 C ATOM 982 C ARG A 65 -8.153 10.306 -0.018 1.00 0.00 C ATOM 983 O ARG A 65 -9.011 10.775 0.732 1.00 0.00 O ATOM 984 CB ARG A 65 -5.891 10.036 1.014 1.00 0.00 C ATOM 985 CG ARG A 65 -4.822 9.112 1.575 1.00 0.00 C ATOM 986 CD ARG A 65 -5.231 8.543 2.925 1.00 0.00 C ATOM 987 NE ARG A 65 -4.074 8.221 3.756 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.161 7.614 4.934 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.346 7.265 5.418 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.063 7.355 5.632 1.00 0.00 N ATOM 0 H ARG A 65 -5.779 8.404 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.578 8.739 1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.463 10.622 0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.194 10.740 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.640 8.296 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.885 9.658 1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.862 9.263 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.830 7.645 2.774 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.148 8.476 3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.193 7.463 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.410 6.799 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.150 7.622 5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.132 6.889 6.537 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.058 10.632 -1.302 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.976 11.583 -1.919 1.00 0.00 C ATOM 1006 C LEU A 66 -10.163 10.862 -2.550 1.00 0.00 C ATOM 1007 O LEU A 66 -11.319 11.173 -2.259 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.247 12.412 -2.978 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.950 13.692 -3.430 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.932 14.759 -3.799 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.876 13.407 -4.604 1.00 0.00 C ATOM 0 H LEU A 66 -7.355 10.252 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.350 12.248 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.265 12.679 -2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.083 11.783 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.552 14.064 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.451 15.663 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.311 14.985 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.303 14.396 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.368 14.330 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.296 13.009 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.629 12.677 -4.305 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.871 9.896 -3.415 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.913 9.128 -4.085 1.00 0.00 C ATOM 1025 C LYS A 67 -11.622 8.200 -3.103 1.00 0.00 C ATOM 1026 O LYS A 67 -12.850 8.135 -3.072 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.315 8.311 -5.233 1.00 0.00 C ATOM 1028 CG LYS A 67 -10.021 9.134 -6.475 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.292 9.458 -7.242 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.989 9.873 -8.674 1.00 0.00 C ATOM 1031 NZ LYS A 67 -12.232 10.089 -9.464 1.00 0.00 N ATOM 0 H LYS A 67 -8.920 9.627 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.644 9.829 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.393 7.841 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.004 7.508 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.521 10.060 -6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.334 8.587 -7.121 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.948 8.587 -7.245 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.829 10.260 -6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.398 10.789 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.383 9.105 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.983 10.370 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.784 9.208 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.799 10.840 -9.021 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.839 7.486 -2.300 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.393 6.563 -1.316 1.00 0.00 C ATOM 1047 C ASN A 68 -12.173 5.443 -1.999 1.00 0.00 C ATOM 1048 O ASN A 68 -13.323 5.160 -1.663 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.302 7.311 -0.339 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.525 7.968 0.785 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.183 7.324 1.777 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.244 9.257 0.635 1.00 0.00 N ATOM 0 H ASN A 68 -9.820 7.529 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.564 6.120 -0.764 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.865 8.071 -0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.028 6.616 0.083 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.725 9.753 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.548 9.751 -0.204 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.534 4.790 -2.981 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.149 3.690 -3.731 1.00 0.00 C ATOM 1061 C PRO A 69 -12.327 2.437 -2.880 1.00 0.00 C ATOM 1062 O PRO A 69 -12.204 2.482 -1.655 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.150 3.431 -4.862 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.843 3.910 -4.331 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.162 5.074 -3.434 1.00 0.00 C ATOM 0 HA PRO A 69 -13.151 3.942 -4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.109 2.373 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.430 3.968 -5.768 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.333 3.120 -3.779 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.180 4.212 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.467 5.138 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.104 6.022 -3.969 1.00 0.00 H new ATOM 1073 N THR A 70 -12.618 1.318 -3.537 1.00 0.00 N ATOM 1074 CA THR A 70 -12.814 0.053 -2.841 1.00 0.00 C ATOM 1075 C THR A 70 -11.915 -1.036 -3.416 1.00 0.00 C ATOM 1076 O THR A 70 -11.630 -1.051 -4.613 1.00 0.00 O ATOM 1077 CB THR A 70 -14.280 -0.411 -2.922 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.433 -1.670 -2.257 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.728 -0.539 -4.370 1.00 0.00 C ATOM 0 H THR A 70 -12.723 1.263 -4.550 1.00 0.00 H new ATOM 0 HA THR A 70 -12.552 0.223 -1.797 1.00 0.00 H new ATOM 0 HB THR A 70 -14.902 0.337 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.368 -1.957 -2.312 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.767 -0.868 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.638 0.428 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.100 -1.269 -4.882 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.472 -1.947 -2.555 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.607 -3.041 -2.979 1.00 0.00 C ATOM 1089 C VAL A 71 -10.987 -3.536 -4.369 1.00 0.00 C ATOM 1090 O VAL A 71 -10.169 -3.526 -5.288 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.670 -4.221 -1.991 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.750 -5.346 -2.442 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.312 -3.759 -0.586 1.00 0.00 C ATOM 0 H VAL A 71 -11.698 -1.949 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.590 -2.649 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.690 -4.604 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.808 -6.171 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.057 -5.694 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.724 -4.980 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.362 -4.605 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.302 -3.349 -0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.016 -2.991 -0.265 1.00 0.00 H new ATOM 1103 N GLU A 72 -12.236 -3.969 -4.516 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.725 -4.469 -5.796 1.00 0.00 C ATOM 1105 C GLU A 72 -12.223 -3.600 -6.947 1.00 0.00 C ATOM 1106 O GLU A 72 -11.788 -4.110 -7.980 1.00 0.00 O ATOM 1107 CB GLU A 72 -14.254 -4.509 -5.802 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.831 -5.796 -5.237 1.00 0.00 C ATOM 1109 CD GLU A 72 -16.306 -5.678 -4.905 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -17.134 -5.769 -5.835 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.632 -5.494 -3.713 1.00 0.00 O ATOM 0 H GLU A 72 -12.927 -3.984 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.342 -5.480 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.633 -3.666 -5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.609 -4.380 -6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.688 -6.601 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.281 -6.072 -4.337 1.00 0.00 H new ATOM 1118 N TYR A 73 -12.288 -2.287 -6.760 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.844 -1.347 -7.782 1.00 0.00 C ATOM 1120 C TYR A 73 -10.333 -1.428 -7.978 1.00 0.00 C ATOM 1121 O TYR A 73 -9.849 -1.584 -9.098 1.00 0.00 O ATOM 1122 CB TYR A 73 -12.244 0.080 -7.401 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.773 1.125 -8.388 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -12.475 1.366 -9.562 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -10.626 1.870 -8.145 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -12.048 2.319 -10.466 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -10.192 2.826 -9.043 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.906 3.047 -10.202 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.478 3.998 -11.100 1.00 0.00 O ATOM 0 H TYR A 73 -12.644 -1.849 -5.910 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.329 -1.615 -8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.329 0.134 -7.318 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.837 0.312 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.370 0.799 -9.772 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.064 1.699 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.605 2.493 -11.375 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.298 3.397 -8.838 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.660 4.421 -10.764 1.00 0.00 H new ATOM 1139 N MET A 74 -9.594 -1.321 -6.878 1.00 0.00 N ATOM 1140 CA MET A 74 -8.138 -1.385 -6.928 1.00 0.00 C ATOM 1141 C MET A 74 -7.673 -2.617 -7.697 1.00 0.00 C ATOM 1142 O MET A 74 -6.605 -2.613 -8.307 1.00 0.00 O ATOM 1143 CB MET A 74 -7.559 -1.405 -5.512 1.00 0.00 C ATOM 1144 CG MET A 74 -7.829 -0.132 -4.726 1.00 0.00 C ATOM 1145 SD MET A 74 -6.435 0.354 -3.691 1.00 0.00 S ATOM 1146 CE MET A 74 -5.305 0.995 -4.923 1.00 0.00 C ATOM 0 H MET A 74 -9.979 -1.190 -5.943 1.00 0.00 H new ATOM 0 HA MET A 74 -7.778 -0.497 -7.448 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.977 -2.253 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.482 -1.564 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.061 0.676 -5.420 1.00 0.00 H new ATOM 0 HG3 MET A 74 -8.709 -0.276 -4.099 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.326 1.154 -4.471 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.215 0.281 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.685 1.941 -5.308 1.00 0.00 H new ATOM 1156 N ASN A 75 -8.483 -3.670 -7.664 1.00 0.00 N ATOM 1157 CA ASN A 75 -8.154 -4.910 -8.358 1.00 0.00 C ATOM 1158 C ASN A 75 -8.130 -4.697 -9.869 1.00 0.00 C ATOM 1159 O ASN A 75 -7.385 -5.363 -10.588 1.00 0.00 O ATOM 1160 CB ASN A 75 -9.164 -6.002 -8.002 1.00 0.00 C ATOM 1161 CG ASN A 75 -8.875 -6.640 -6.656 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -7.721 -6.900 -6.315 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -9.925 -6.894 -5.885 1.00 0.00 N ATOM 0 H ASN A 75 -9.372 -3.690 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.161 -5.225 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -10.167 -5.576 -7.991 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.152 -6.770 -8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.793 -7.322 -4.968 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.864 -6.661 -6.209 1.00 0.00 H new ATOM 1170 N SER A 76 -8.949 -3.765 -10.343 1.00 0.00 N ATOM 1171 CA SER A 76 -9.025 -3.466 -11.768 1.00 0.00 C ATOM 1172 C SER A 76 -8.446 -2.086 -12.066 1.00 0.00 C ATOM 1173 O SER A 76 -9.175 -1.096 -12.128 1.00 0.00 O ATOM 1174 CB SER A 76 -10.475 -3.538 -12.250 1.00 0.00 C ATOM 1175 OG SER A 76 -10.871 -4.880 -12.476 1.00 0.00 O ATOM 0 H SER A 76 -9.570 -3.203 -9.761 1.00 0.00 H new ATOM 0 HA SER A 76 -8.435 -4.211 -12.302 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.131 -3.082 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.585 -2.963 -13.170 1.00 0.00 H new ATOM 0 HG SER A 76 -11.802 -4.899 -12.782 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.131 -2.030 -12.249 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.454 -0.772 -12.541 1.00 0.00 C ATOM 1183 C ILE A 77 -5.530 -0.912 -13.745 1.00 0.00 C ATOM 1184 O ILE A 77 -4.891 -1.948 -13.933 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.635 -0.280 -11.333 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.551 -0.037 -10.132 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -4.873 0.987 -11.691 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -5.805 0.316 -8.864 1.00 0.00 C ATOM 0 H ILE A 77 -6.513 -2.840 -12.200 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.230 -0.040 -12.765 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.913 -1.051 -11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.245 0.769 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.149 -0.931 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.299 1.323 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.195 0.782 -12.520 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.578 1.765 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.518 0.474 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.131 -0.499 -8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.228 1.227 -9.023 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.462 0.137 -14.557 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.616 0.132 -15.744 1.00 0.00 C ATOM 1202 C TYR A 78 -4.050 1.522 -16.017 1.00 0.00 C ATOM 1203 O TYR A 78 -4.482 2.508 -15.420 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.408 -0.356 -16.958 1.00 0.00 C ATOM 1205 CG TYR A 78 -5.794 -1.816 -16.883 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -4.825 -2.810 -16.837 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -7.129 -2.200 -16.856 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -5.175 -4.145 -16.768 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.488 -3.533 -16.786 1.00 0.00 C ATOM 1210 CZ TYR A 78 -6.507 -4.501 -16.743 1.00 0.00 C ATOM 1211 OH TYR A 78 -6.859 -5.830 -16.673 1.00 0.00 O ATOM 0 H TYR A 78 -5.983 1.002 -14.415 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.784 -0.549 -15.563 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.312 0.245 -17.057 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.815 -0.191 -17.858 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.781 -2.535 -16.855 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.899 -1.444 -16.890 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.409 -4.906 -16.734 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.530 -3.815 -16.765 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.836 -5.910 -16.663 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.081 1.592 -16.924 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.455 2.862 -17.277 1.00 0.00 C ATOM 1223 C ASN A 79 -3.209 3.541 -18.417 1.00 0.00 C ATOM 1224 O ASN A 79 -3.655 2.900 -19.368 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.995 2.640 -17.676 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.837 1.531 -18.699 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -1.822 0.963 -19.171 1.00 0.00 O ATOM 1228 ND2 ASN A 79 0.406 1.219 -19.045 1.00 0.00 N ATOM 0 H ASN A 79 -2.712 0.785 -17.428 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.491 3.513 -16.403 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.587 3.566 -18.082 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.411 2.397 -16.788 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.575 0.481 -19.729 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.192 1.717 -18.627 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.354 4.871 -18.320 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.828 5.645 -17.191 1.00 0.00 C ATOM 1237 C PRO A 80 -3.585 5.369 -15.896 1.00 0.00 C ATOM 1238 O PRO A 80 -4.807 5.222 -15.899 1.00 0.00 O ATOM 1239 CB PRO A 80 -3.032 7.096 -17.631 1.00 0.00 C ATOM 1240 CG PRO A 80 -4.164 7.044 -18.598 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.044 5.721 -19.304 1.00 0.00 C ATOM 0 HA PRO A 80 -1.790 5.393 -16.972 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.266 7.738 -16.782 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.132 7.499 -18.096 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.121 7.126 -18.083 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.111 7.871 -19.306 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.021 5.317 -19.569 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.474 5.809 -20.229 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.851 5.301 -14.790 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.453 5.044 -13.487 1.00 0.00 C ATOM 1251 C VAL A 81 -4.285 6.234 -13.023 1.00 0.00 C ATOM 1252 O VAL A 81 -4.034 7.381 -13.393 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.382 4.734 -12.425 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.651 3.444 -12.764 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.405 5.893 -12.300 1.00 0.00 C ATOM 0 H VAL A 81 -1.838 5.420 -14.770 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.100 4.175 -13.603 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.877 4.601 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.898 3.241 -12.002 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.364 2.620 -12.798 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.167 3.545 -13.735 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.655 5.657 -11.545 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.915 6.060 -13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.944 6.793 -12.006 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.300 5.958 -12.191 1.00 0.00 N ATOM 1266 CA PRO A 82 -6.190 6.993 -11.656 1.00 0.00 C ATOM 1267 C PRO A 82 -5.486 7.901 -10.653 1.00 0.00 C ATOM 1268 O PRO A 82 -6.095 8.812 -10.093 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.295 6.190 -10.967 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.657 4.889 -10.619 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.658 4.614 -11.708 1.00 0.00 C ATOM 0 HA PRO A 82 -6.554 7.661 -12.437 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.660 6.702 -10.077 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.151 6.047 -11.627 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.169 4.942 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.400 4.093 -10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.788 4.078 -11.329 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.087 4.003 -12.502 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.202 7.645 -10.431 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.415 8.440 -9.495 1.00 0.00 C ATOM 1281 C TRP A 83 -2.211 9.066 -10.190 1.00 0.00 C ATOM 1282 O TRP A 83 -1.218 9.402 -9.546 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.950 7.573 -8.323 1.00 0.00 C ATOM 1284 CG TRP A 83 -2.011 6.479 -8.730 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.693 6.611 -9.060 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.320 5.086 -8.851 1.00 0.00 C ATOM 1287 NE1 TRP A 83 -0.163 5.384 -9.380 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -1.141 4.432 -9.259 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.477 4.327 -8.654 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -1.088 3.057 -9.472 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.423 2.963 -8.866 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.236 2.339 -9.271 1.00 0.00 C ATOM 0 H TRP A 83 -3.684 6.894 -10.886 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.049 9.242 -9.116 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.460 8.207 -7.584 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.821 7.133 -7.838 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.147 7.543 -9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 83 0.802 5.210 -9.662 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.397 4.799 -8.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.174 2.574 -9.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.311 2.367 -8.717 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.226 1.270 -9.428 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.306 9.219 -11.507 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.223 9.804 -12.288 1.00 0.00 C ATOM 1305 C GLU A 84 -1.344 11.324 -12.332 1.00 0.00 C ATOM 1306 O GLU A 84 -0.965 11.960 -13.316 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.227 9.239 -13.710 1.00 0.00 C ATOM 1308 CG GLU A 84 -0.022 8.368 -14.022 1.00 0.00 C ATOM 1309 CD GLU A 84 1.293 9.100 -13.832 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.825 9.079 -12.702 1.00 0.00 O ATOM 1311 OE2 GLU A 84 1.789 9.693 -14.812 1.00 0.00 O ATOM 0 H GLU A 84 -3.122 8.946 -12.055 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.280 9.546 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.135 8.654 -13.857 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.261 10.065 -14.420 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.039 7.487 -13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.091 8.014 -15.051 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.875 11.901 -11.259 1.00 0.00 N ATOM 1319 CA LYS A 85 -2.046 13.346 -11.173 1.00 0.00 C ATOM 1320 C LYS A 85 -0.970 13.970 -10.291 1.00 0.00 C ATOM 1321 O LYS A 85 -0.632 13.435 -9.235 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.433 13.684 -10.621 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.552 12.870 -11.247 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.571 13.019 -12.759 1.00 0.00 C ATOM 1325 CE LYS A 85 -5.093 14.385 -13.178 1.00 0.00 C ATOM 1326 NZ LYS A 85 -6.574 14.391 -13.327 1.00 0.00 N ATOM 0 H LYS A 85 -2.194 11.389 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.951 13.758 -12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.435 13.521 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.631 14.743 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.429 11.819 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.510 13.190 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.564 12.877 -13.152 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.197 12.240 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.800 15.129 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.632 14.676 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.890 15.339 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.853 13.700 -14.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.015 14.138 -12.420 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.436 15.105 -10.729 1.00 0.00 N ATOM 1341 CA ASP A 86 0.600 15.804 -9.977 1.00 0.00 C ATOM 1342 C ASP A 86 0.063 16.290 -8.635 1.00 0.00 C ATOM 1343 O ASP A 86 0.782 16.304 -7.636 1.00 0.00 O ATOM 1344 CB ASP A 86 1.136 16.987 -10.785 1.00 0.00 C ATOM 1345 CG ASP A 86 0.028 17.814 -11.405 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -0.672 18.526 -10.654 1.00 0.00 O ATOM 1347 OD2 ASP A 86 -0.139 17.751 -12.640 1.00 0.00 O ATOM 0 H ASP A 86 -0.704 15.561 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 86 1.414 15.103 -9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.740 17.622 -10.137 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.793 16.618 -11.572 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.205 16.689 -8.619 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.837 17.177 -7.400 1.00 0.00 C ATOM 1354 C GLU A 87 -1.783 16.122 -6.298 1.00 0.00 C ATOM 1355 O GLU A 87 -1.543 16.438 -5.133 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.290 17.570 -7.674 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.118 16.453 -8.286 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.332 16.969 -9.034 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.196 17.605 -8.396 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.417 16.736 -10.258 1.00 0.00 O ATOM 0 H GLU A 87 -1.814 16.684 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.287 18.056 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.755 17.885 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.305 18.430 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.494 15.875 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.443 15.773 -7.498 1.00 0.00 H new ATOM 1367 N TYR A 88 -2.009 14.869 -6.677 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.990 13.767 -5.722 1.00 0.00 C ATOM 1369 C TYR A 88 -0.696 13.770 -4.913 1.00 0.00 C ATOM 1370 O TYR A 88 -0.702 13.514 -3.708 1.00 0.00 O ATOM 1371 CB TYR A 88 -2.146 12.431 -6.450 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.577 12.101 -6.809 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.590 12.190 -5.862 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.916 11.700 -8.095 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.899 11.889 -6.185 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.223 11.398 -8.428 1.00 0.00 C ATOM 1377 CZ TYR A 88 -6.210 11.494 -7.470 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.513 11.193 -7.797 1.00 0.00 O ATOM 0 H TYR A 88 -2.207 14.591 -7.638 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.827 13.899 -5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.547 12.451 -7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.745 11.635 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.350 12.500 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.145 11.623 -8.847 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.674 11.962 -5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.470 11.089 -9.433 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.562 10.933 -8.741 1.00 0.00 H new ATOM 1388 N LEU A 89 0.413 14.063 -5.584 1.00 0.00 N ATOM 1389 CA LEU A 89 1.716 14.101 -4.929 1.00 0.00 C ATOM 1390 C LEU A 89 1.608 14.714 -3.537 1.00 0.00 C ATOM 1391 O LEU A 89 2.257 14.260 -2.594 1.00 0.00 O ATOM 1392 CB LEU A 89 2.710 14.899 -5.774 1.00 0.00 C ATOM 1393 CG LEU A 89 3.184 14.229 -7.065 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.053 15.180 -7.872 1.00 0.00 C ATOM 1395 CD2 LEU A 89 3.941 12.946 -6.752 1.00 0.00 C ATOM 0 H LEU A 89 0.436 14.278 -6.581 1.00 0.00 H new ATOM 0 HA LEU A 89 2.074 13.077 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.253 15.854 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.584 15.119 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 89 2.309 13.975 -7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.381 14.686 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.478 16.071 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.924 15.466 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.271 12.482 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.808 13.177 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.286 12.259 -6.216 1.00 0.00 H new ATOM 1407 N LYS A 90 0.782 15.748 -3.413 1.00 0.00 N ATOM 1408 CA LYS A 90 0.585 16.422 -2.136 1.00 0.00 C ATOM 1409 C LYS A 90 -0.054 15.483 -1.118 1.00 0.00 C ATOM 1410 O LYS A 90 -0.929 14.680 -1.442 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.291 17.663 -2.320 1.00 0.00 C ATOM 1412 CG LYS A 90 0.489 18.904 -2.722 1.00 0.00 C ATOM 1413 CD LYS A 90 -0.437 20.041 -3.116 1.00 0.00 C ATOM 1414 CE LYS A 90 0.236 20.995 -4.092 1.00 0.00 C ATOM 1415 NZ LYS A 90 0.431 20.372 -5.430 1.00 0.00 N ATOM 0 H LYS A 90 0.238 16.137 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 90 1.562 16.727 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.045 17.456 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.822 17.864 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.123 19.220 -1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.149 18.666 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.342 19.635 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.744 20.588 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.369 21.896 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.201 21.304 -3.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.533 21.117 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.289 19.784 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.392 19.779 -5.660 1.00 0.00 H new ATOM 1429 N PRO A 91 0.390 15.585 0.144 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.127 14.754 1.235 1.00 0.00 C ATOM 1431 C PRO A 91 -1.561 15.113 1.608 1.00 0.00 C ATOM 1432 O PRO A 91 -1.808 16.129 2.257 1.00 0.00 O ATOM 1433 CB PRO A 91 0.821 15.063 2.396 1.00 0.00 C ATOM 1434 CG PRO A 91 1.351 16.424 2.100 1.00 0.00 C ATOM 1435 CD PRO A 91 1.432 16.520 0.602 1.00 0.00 C ATOM 0 HA PRO A 91 -0.160 13.699 0.963 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.297 15.041 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.625 14.330 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.696 17.195 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.331 16.568 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.242 17.535 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.418 16.235 0.234 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.503 14.272 1.193 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.914 14.500 1.485 1.00 0.00 C ATOM 1445 C VAL A 92 -4.130 14.773 2.969 1.00 0.00 C ATOM 1446 O VAL A 92 -4.959 15.604 3.344 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.776 13.295 1.064 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.247 13.571 1.334 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.547 12.963 -0.402 1.00 0.00 C ATOM 0 H VAL A 92 -2.315 13.427 0.654 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.220 15.374 0.910 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.478 12.431 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.841 12.709 1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.393 13.756 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.563 14.447 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.164 12.109 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.816 13.822 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.496 12.719 -0.560 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.380 14.070 3.810 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.489 14.236 5.255 1.00 0.00 C ATOM 1461 C LEU A 93 -2.251 14.928 5.818 1.00 0.00 C ATOM 1462 O LEU A 93 -1.345 15.300 5.075 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.681 12.878 5.932 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.551 11.871 5.180 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.696 10.994 4.279 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.347 11.018 6.158 1.00 0.00 C ATOM 0 H LEU A 93 -2.689 13.379 3.516 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.358 14.862 5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.699 12.432 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.120 13.044 6.916 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.253 12.423 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.333 10.284 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.172 11.618 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.969 10.451 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.961 10.307 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.662 10.476 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.990 11.660 6.761 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.221 15.094 7.137 1.00 0.00 N ATOM 1479 CA GLU A 94 -1.094 15.740 7.799 1.00 0.00 C ATOM 1480 C GLU A 94 -0.216 14.710 8.505 1.00 0.00 C ATOM 1481 O GLU A 94 -0.717 13.804 9.171 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.592 16.778 8.807 1.00 0.00 C ATOM 1483 CG GLU A 94 -0.640 17.947 8.997 1.00 0.00 C ATOM 1484 CD GLU A 94 -1.314 19.153 9.621 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -2.546 19.290 9.466 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -0.611 19.960 10.264 1.00 0.00 O ATOM 0 H GLU A 94 -2.963 14.790 7.767 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.497 16.242 7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.559 17.158 8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.752 16.291 9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.192 17.634 9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.220 18.229 8.032 1.00 0.00 H new ATOM 1493 N ASP A 95 1.095 14.857 8.354 1.00 0.00 N ATOM 1494 CA ASP A 95 2.044 13.942 8.977 1.00 0.00 C ATOM 1495 C ASP A 95 1.805 12.510 8.509 1.00 0.00 C ATOM 1496 O ASP A 95 1.748 11.583 9.318 1.00 0.00 O ATOM 1497 CB ASP A 95 1.935 14.019 10.501 1.00 0.00 C ATOM 1498 CG ASP A 95 2.901 13.082 11.199 1.00 0.00 C ATOM 1499 OD1 ASP A 95 3.928 12.724 10.585 1.00 0.00 O ATOM 1500 OD2 ASP A 95 2.631 12.708 12.359 1.00 0.00 O ATOM 0 H ASP A 95 1.525 15.601 7.805 1.00 0.00 H new ATOM 0 HA ASP A 95 3.049 14.240 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.128 15.042 10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.916 13.776 10.802 1.00 0.00 H new ATOM 1505 N ASP A 96 1.664 12.337 7.199 1.00 0.00 N ATOM 1506 CA ASP A 96 1.431 11.018 6.623 1.00 0.00 C ATOM 1507 C ASP A 96 2.664 10.132 6.775 1.00 0.00 C ATOM 1508 O ASP A 96 3.734 10.446 6.254 1.00 0.00 O ATOM 1509 CB ASP A 96 1.056 11.142 5.146 1.00 0.00 C ATOM 1510 CG ASP A 96 0.340 12.443 4.838 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.952 13.515 5.025 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.832 12.389 4.410 1.00 0.00 O ATOM 0 H ASP A 96 1.707 13.094 6.516 1.00 0.00 H new ATOM 0 HA ASP A 96 0.605 10.555 7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.958 11.074 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.418 10.304 4.864 1.00 0.00 H new ATOM 1517 N LEU A 97 2.506 9.026 7.493 1.00 0.00 N ATOM 1518 CA LEU A 97 3.607 8.095 7.715 1.00 0.00 C ATOM 1519 C LEU A 97 3.823 7.206 6.495 1.00 0.00 C ATOM 1520 O LEU A 97 4.959 6.906 6.125 1.00 0.00 O ATOM 1521 CB LEU A 97 3.330 7.231 8.947 1.00 0.00 C ATOM 1522 CG LEU A 97 3.149 7.982 10.267 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.594 7.055 11.337 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.468 8.592 10.718 1.00 0.00 C ATOM 0 H LEU A 97 1.627 8.752 7.931 1.00 0.00 H new ATOM 0 HA LEU A 97 4.513 8.677 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.431 6.644 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.153 6.525 9.063 1.00 0.00 H new ATOM 0 HG LEU A 97 2.434 8.789 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.472 7.607 12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.627 6.667 11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.284 6.226 11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.321 9.123 11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.205 7.802 10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.824 9.290 9.960 1.00 0.00 H new ATOM 1536 N LEU A 98 2.726 6.789 5.872 1.00 0.00 N ATOM 1537 CA LEU A 98 2.794 5.935 4.691 1.00 0.00 C ATOM 1538 C LEU A 98 3.633 6.588 3.596 1.00 0.00 C ATOM 1539 O LEU A 98 4.295 5.903 2.815 1.00 0.00 O ATOM 1540 CB LEU A 98 1.388 5.644 4.166 1.00 0.00 C ATOM 1541 CG LEU A 98 0.440 4.941 5.139 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -0.993 5.012 4.635 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.864 3.494 5.345 1.00 0.00 C ATOM 0 H LEU A 98 1.779 7.028 6.165 1.00 0.00 H new ATOM 0 HA LEU A 98 3.269 4.997 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.932 6.587 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.476 5.031 3.269 1.00 0.00 H new ATOM 0 HG LEU A 98 0.491 5.454 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.652 4.506 5.341 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.294 6.055 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.061 4.525 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.178 3.009 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.843 2.969 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.874 3.465 5.753 1.00 0.00 H new ATOM 1555 N LEU A 99 3.602 7.915 3.546 1.00 0.00 N ATOM 1556 CA LEU A 99 4.361 8.661 2.548 1.00 0.00 C ATOM 1557 C LEU A 99 5.852 8.635 2.868 1.00 0.00 C ATOM 1558 O LEU A 99 6.685 8.484 1.975 1.00 0.00 O ATOM 1559 CB LEU A 99 3.867 10.106 2.479 1.00 0.00 C ATOM 1560 CG LEU A 99 2.691 10.369 1.537 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.476 9.559 1.961 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.358 11.854 1.502 1.00 0.00 C ATOM 0 H LEU A 99 3.060 8.497 4.185 1.00 0.00 H new ATOM 0 HA LEU A 99 4.208 8.185 1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.580 10.419 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.700 10.739 2.174 1.00 0.00 H new ATOM 0 HG LEU A 99 2.978 10.057 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.649 9.759 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.719 8.497 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.187 9.840 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.519 12.023 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.091 12.191 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.225 12.413 1.150 1.00 0.00 H new ATOM 1574 N GLN A 100 6.181 8.783 4.147 1.00 0.00 N ATOM 1575 CA GLN A 100 7.572 8.776 4.584 1.00 0.00 C ATOM 1576 C GLN A 100 8.085 7.349 4.743 1.00 0.00 C ATOM 1577 O GLN A 100 9.100 7.112 5.398 1.00 0.00 O ATOM 1578 CB GLN A 100 7.717 9.533 5.906 1.00 0.00 C ATOM 1579 CG GLN A 100 7.370 8.697 7.127 1.00 0.00 C ATOM 1580 CD GLN A 100 7.484 9.478 8.421 1.00 0.00 C ATOM 1581 OE1 GLN A 100 8.140 9.042 9.367 1.00 0.00 O ATOM 1582 NE2 GLN A 100 6.845 10.641 8.468 1.00 0.00 N ATOM 0 H GLN A 100 5.503 8.909 4.899 1.00 0.00 H new ATOM 0 HA GLN A 100 8.169 9.275 3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.743 9.890 6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.074 10.413 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.354 8.317 7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.031 7.832 7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.313 10.964 7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.886 11.212 9.312 1.00 0.00 H new ATOM 1591 N PHE A 101 7.377 6.400 4.139 1.00 0.00 N ATOM 1592 CA PHE A 101 7.760 4.995 4.214 1.00 0.00 C ATOM 1593 C PHE A 101 8.860 4.677 3.206 1.00 0.00 C ATOM 1594 O PHE A 101 8.849 5.175 2.080 1.00 0.00 O ATOM 1595 CB PHE A 101 6.546 4.099 3.961 1.00 0.00 C ATOM 1596 CG PHE A 101 6.899 2.652 3.764 1.00 0.00 C ATOM 1597 CD1 PHE A 101 7.117 1.824 4.854 1.00 0.00 C ATOM 1598 CD2 PHE A 101 7.014 2.121 2.490 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.442 0.493 4.676 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.339 0.790 2.306 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.554 -0.025 3.401 1.00 0.00 C ATOM 0 H PHE A 101 6.535 6.579 3.592 1.00 0.00 H new ATOM 0 HA PHE A 101 8.143 4.802 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.859 4.186 4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.016 4.459 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.032 2.224 5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.848 2.754 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.608 -0.142 5.534 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.425 0.388 1.307 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.809 -1.065 3.260 1.00 0.00 H new ATOM 1611 N ASP A 102 9.809 3.844 3.619 1.00 0.00 N ATOM 1612 CA ASP A 102 10.917 3.458 2.753 1.00 0.00 C ATOM 1613 C ASP A 102 10.467 2.430 1.720 1.00 0.00 C ATOM 1614 O ASP A 102 10.687 1.230 1.886 1.00 0.00 O ATOM 1615 CB ASP A 102 12.070 2.892 3.584 1.00 0.00 C ATOM 1616 CG ASP A 102 12.626 3.905 4.566 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.340 4.830 4.124 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.348 3.772 5.776 1.00 0.00 O ATOM 0 H ASP A 102 9.833 3.423 4.548 1.00 0.00 H new ATOM 0 HA ASP A 102 11.261 4.349 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.725 2.013 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.866 2.561 2.918 1.00 0.00 H new ATOM 1623 N VAL A 103 9.834 2.908 0.653 1.00 0.00 N ATOM 1624 CA VAL A 103 9.352 2.031 -0.407 1.00 0.00 C ATOM 1625 C VAL A 103 10.501 1.259 -1.047 1.00 0.00 C ATOM 1626 O VAL A 103 10.323 0.134 -1.511 1.00 0.00 O ATOM 1627 CB VAL A 103 8.611 2.825 -1.499 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.550 3.816 -2.169 1.00 0.00 C ATOM 1629 CG2 VAL A 103 8.001 1.880 -2.523 1.00 0.00 C ATOM 0 H VAL A 103 9.643 3.898 0.500 1.00 0.00 H new ATOM 0 HA VAL A 103 8.658 1.328 0.055 1.00 0.00 H new ATOM 0 HB VAL A 103 7.803 3.387 -1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.009 4.368 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.934 4.513 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.381 3.278 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.481 2.458 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.790 1.290 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.294 1.214 -2.028 1.00 0.00 H new ATOM 1639 N GLU A 104 11.680 1.872 -1.066 1.00 0.00 N ATOM 1640 CA GLU A 104 12.859 1.242 -1.650 1.00 0.00 C ATOM 1641 C GLU A 104 13.018 -0.188 -1.142 1.00 0.00 C ATOM 1642 O GLU A 104 13.351 -1.095 -1.906 1.00 0.00 O ATOM 1643 CB GLU A 104 14.114 2.054 -1.321 1.00 0.00 C ATOM 1644 CG GLU A 104 14.118 3.443 -1.936 1.00 0.00 C ATOM 1645 CD GLU A 104 15.509 4.042 -2.016 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.180 4.123 -0.966 1.00 0.00 O ATOM 1647 OE2 GLU A 104 15.926 4.429 -3.127 1.00 0.00 O ATOM 0 H GLU A 104 11.845 2.803 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 104 12.727 1.213 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.204 2.145 -0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.991 1.509 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.689 3.394 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.477 4.099 -1.347 1.00 0.00 H new ATOM 1654 N ASP A 105 12.778 -0.381 0.150 1.00 0.00 N ATOM 1655 CA ASP A 105 12.894 -1.701 0.760 1.00 0.00 C ATOM 1656 C ASP A 105 12.204 -2.758 -0.096 1.00 0.00 C ATOM 1657 O ASP A 105 12.648 -3.905 -0.164 1.00 0.00 O ATOM 1658 CB ASP A 105 12.291 -1.691 2.165 1.00 0.00 C ATOM 1659 CG ASP A 105 12.546 -2.985 2.914 1.00 0.00 C ATOM 1660 OD1 ASP A 105 13.720 -3.403 2.993 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.571 -3.578 3.420 1.00 0.00 O ATOM 0 H ASP A 105 12.502 0.359 0.795 1.00 0.00 H new ATOM 0 HA ASP A 105 13.953 -1.951 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.709 -0.859 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.217 -1.521 2.095 1.00 0.00 H new ATOM 1666 N LEU A 106 11.114 -2.365 -0.747 1.00 0.00 N ATOM 1667 CA LEU A 106 10.361 -3.279 -1.599 1.00 0.00 C ATOM 1668 C LEU A 106 11.195 -3.720 -2.797 1.00 0.00 C ATOM 1669 O LEU A 106 11.144 -4.879 -3.209 1.00 0.00 O ATOM 1670 CB LEU A 106 9.070 -2.613 -2.079 1.00 0.00 C ATOM 1671 CG LEU A 106 8.232 -1.920 -1.004 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.017 -1.248 -1.625 1.00 0.00 C ATOM 1673 CD2 LEU A 106 7.805 -2.917 0.063 1.00 0.00 C ATOM 0 H LEU A 106 10.732 -1.420 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 106 10.111 -4.162 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.326 -1.878 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.452 -3.370 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 106 8.844 -1.152 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.433 -0.760 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.344 -0.505 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.402 -1.997 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.210 -2.407 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.210 -3.707 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.689 -3.352 0.529 1.00 0.00 H new ATOM 1685 N TYR A 107 11.965 -2.790 -3.350 1.00 0.00 N ATOM 1686 CA TYR A 107 12.811 -3.083 -4.501 1.00 0.00 C ATOM 1687 C TYR A 107 13.896 -4.091 -4.137 1.00 0.00 C ATOM 1688 O TYR A 107 14.866 -3.757 -3.457 1.00 0.00 O ATOM 1689 CB TYR A 107 13.450 -1.798 -5.030 1.00 0.00 C ATOM 1690 CG TYR A 107 12.459 -0.680 -5.264 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.172 -0.949 -5.712 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.810 0.645 -5.039 1.00 0.00 C ATOM 1693 CE1 TYR A 107 10.263 0.068 -5.927 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.908 1.669 -5.250 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.635 1.376 -5.695 1.00 0.00 C ATOM 1696 OH TYR A 107 9.734 2.393 -5.908 1.00 0.00 O ATOM 0 H TYR A 107 12.021 -1.827 -3.020 1.00 0.00 H new ATOM 0 HA TYR A 107 12.184 -3.517 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.206 -1.460 -4.321 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.965 -2.017 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.877 -1.972 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.806 0.878 -4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.266 -0.159 -6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.197 2.693 -5.068 1.00 0.00 H new ATOM 0 HH TYR A 107 9.005 2.070 -6.478 1.00 0.00 H new ATOM 1706 N GLU A 108 13.725 -5.327 -4.596 1.00 0.00 N ATOM 1707 CA GLU A 108 14.689 -6.385 -4.319 1.00 0.00 C ATOM 1708 C GLU A 108 16.112 -5.834 -4.302 1.00 0.00 C ATOM 1709 O GLU A 108 16.725 -5.596 -5.343 1.00 0.00 O ATOM 1710 CB GLU A 108 14.574 -7.497 -5.364 1.00 0.00 C ATOM 1711 CG GLU A 108 14.470 -6.984 -6.790 1.00 0.00 C ATOM 1712 CD GLU A 108 14.776 -8.054 -7.819 1.00 0.00 C ATOM 1713 OE1 GLU A 108 15.963 -8.416 -7.963 1.00 0.00 O ATOM 1714 OE2 GLU A 108 13.830 -8.530 -8.480 1.00 0.00 O ATOM 0 H GLU A 108 12.928 -5.620 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 108 14.465 -6.796 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.443 -8.150 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.697 -8.105 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.465 -6.598 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.159 -6.150 -6.923 1.00 0.00 H new ATOM 1721 N PRO A 109 16.650 -5.624 -3.091 1.00 0.00 N ATOM 1722 CA PRO A 109 18.006 -5.098 -2.908 1.00 0.00 C ATOM 1723 C PRO A 109 19.078 -6.102 -3.318 1.00 0.00 C ATOM 1724 O PRO A 109 18.933 -7.305 -3.097 1.00 0.00 O ATOM 1725 CB PRO A 109 18.079 -4.822 -1.404 1.00 0.00 C ATOM 1726 CG PRO A 109 17.084 -5.751 -0.800 1.00 0.00 C ATOM 1727 CD PRO A 109 15.976 -5.884 -1.808 1.00 0.00 C ATOM 0 HA PRO A 109 18.189 -4.219 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.080 -5.007 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 109 17.838 -3.783 -1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 109 17.535 -6.720 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 109 16.707 -5.359 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 109 15.527 -6.877 -1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 109 15.175 -5.168 -1.622 1.00 0.00 H new ATOM 1735 N VAL A 110 20.154 -5.601 -3.917 1.00 0.00 N ATOM 1736 CA VAL A 110 21.251 -6.455 -4.357 1.00 0.00 C ATOM 1737 C VAL A 110 22.208 -6.755 -3.209 1.00 0.00 C ATOM 1738 O VAL A 110 23.427 -6.738 -3.383 1.00 0.00 O ATOM 1739 CB VAL A 110 22.038 -5.807 -5.512 1.00 0.00 C ATOM 1740 CG1 VAL A 110 23.073 -6.776 -6.062 1.00 0.00 C ATOM 1741 CG2 VAL A 110 21.090 -5.347 -6.609 1.00 0.00 C ATOM 0 H VAL A 110 20.289 -4.608 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 110 20.807 -7.386 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 110 22.563 -4.933 -5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 110 23.619 -6.301 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 110 23.770 -7.052 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 110 22.573 -7.671 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 110 21.662 -4.892 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 110 20.536 -6.203 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 110 20.391 -4.616 -6.203 1.00 0.00 H new ATOM 1751 N SER A 111 21.648 -7.029 -2.035 1.00 0.00 N ATOM 1752 CA SER A 111 22.452 -7.330 -0.856 1.00 0.00 C ATOM 1753 C SER A 111 22.095 -8.701 -0.290 1.00 0.00 C ATOM 1754 O SER A 111 22.010 -8.882 0.925 1.00 0.00 O ATOM 1755 CB SER A 111 22.249 -6.255 0.213 1.00 0.00 C ATOM 1756 OG SER A 111 23.135 -6.447 1.303 1.00 0.00 O ATOM 0 H SER A 111 20.641 -7.049 -1.875 1.00 0.00 H new ATOM 0 HA SER A 111 23.500 -7.342 -1.155 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.411 -5.269 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 111 21.219 -6.281 0.568 1.00 0.00 H new ATOM 0 HG SER A 111 23.100 -7.383 1.592 1.00 0.00 H new ATOM 1762 N THR A 112 21.887 -9.666 -1.181 1.00 0.00 N ATOM 1763 CA THR A 112 21.538 -11.021 -0.772 1.00 0.00 C ATOM 1764 C THR A 112 22.239 -11.401 0.527 1.00 0.00 C ATOM 1765 O THR A 112 23.423 -11.128 0.724 1.00 0.00 O ATOM 1766 CB THR A 112 21.904 -12.048 -1.860 1.00 0.00 C ATOM 1767 OG1 THR A 112 21.430 -11.601 -3.135 1.00 0.00 O ATOM 1768 CG2 THR A 112 21.307 -13.410 -1.540 1.00 0.00 C ATOM 0 H THR A 112 21.954 -9.534 -2.190 1.00 0.00 H new ATOM 0 HA THR A 112 20.459 -11.036 -0.617 1.00 0.00 H new ATOM 0 HB THR A 112 22.990 -12.142 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 112 21.668 -12.259 -3.821 1.00 0.00 H new ATOM 0 HG21 THR A 112 21.579 -14.119 -2.322 1.00 0.00 H new ATOM 0 HG22 THR A 112 21.693 -13.760 -0.583 1.00 0.00 H new ATOM 0 HG23 THR A 112 20.221 -13.328 -1.486 1.00 0.00 H new ATOM 1776 N PRO A 113 21.494 -12.047 1.436 1.00 0.00 N ATOM 1777 CA PRO A 113 22.025 -12.480 2.732 1.00 0.00 C ATOM 1778 C PRO A 113 23.025 -13.623 2.596 1.00 0.00 C ATOM 1779 O PRO A 113 24.050 -13.648 3.277 1.00 0.00 O ATOM 1780 CB PRO A 113 20.778 -12.948 3.487 1.00 0.00 C ATOM 1781 CG PRO A 113 19.811 -13.333 2.422 1.00 0.00 C ATOM 1782 CD PRO A 113 20.075 -12.405 1.268 1.00 0.00 C ATOM 0 HA PRO A 113 22.571 -11.683 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.004 -13.791 4.140 1.00 0.00 H new ATOM 0 HB3 PRO A 113 20.377 -12.155 4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 113 19.950 -14.373 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 113 18.784 -13.236 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 113 19.894 -12.893 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 113 19.432 -11.526 1.304 1.00 0.00 H new ATOM 1790 N PHE A 114 22.721 -14.567 1.711 1.00 0.00 N ATOM 1791 CA PHE A 114 23.594 -15.713 1.486 1.00 0.00 C ATOM 1792 C PHE A 114 24.147 -16.243 2.806 1.00 0.00 C ATOM 1793 O PHE A 114 25.334 -16.550 2.916 1.00 0.00 O ATOM 1794 CB PHE A 114 24.746 -15.329 0.555 1.00 0.00 C ATOM 1795 CG PHE A 114 25.257 -16.475 -0.270 1.00 0.00 C ATOM 1796 CD1 PHE A 114 24.615 -16.844 -1.441 1.00 0.00 C ATOM 1797 CD2 PHE A 114 26.380 -17.185 0.126 1.00 0.00 C ATOM 1798 CE1 PHE A 114 25.083 -17.898 -2.203 1.00 0.00 C ATOM 1799 CE2 PHE A 114 26.853 -18.239 -0.632 1.00 0.00 C ATOM 1800 CZ PHE A 114 26.203 -18.597 -1.797 1.00 0.00 C ATOM 0 H PHE A 114 21.877 -14.561 1.138 1.00 0.00 H new ATOM 0 HA PHE A 114 23.004 -16.501 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 114 24.415 -14.532 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 114 25.565 -14.927 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 114 23.738 -16.301 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 114 26.891 -16.911 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 114 24.574 -18.175 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 114 27.730 -18.783 -0.314 1.00 0.00 H new ATOM 0 HZ PHE A 114 26.570 -19.422 -2.389 1.00 0.00 H new ATOM 1810 N SER A 115 23.278 -16.347 3.806 1.00 0.00 N ATOM 1811 CA SER A 115 23.679 -16.835 5.121 1.00 0.00 C ATOM 1812 C SER A 115 22.458 -17.145 5.981 1.00 0.00 C ATOM 1813 O SER A 115 21.609 -16.283 6.207 1.00 0.00 O ATOM 1814 CB SER A 115 24.564 -15.803 5.823 1.00 0.00 C ATOM 1815 OG SER A 115 24.731 -16.122 7.193 1.00 0.00 O ATOM 0 H SER A 115 22.291 -16.100 3.731 1.00 0.00 H new ATOM 0 HA SER A 115 24.247 -17.755 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 115 25.538 -15.762 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 115 24.118 -14.813 5.729 1.00 0.00 H new ATOM 0 HG SER A 115 25.302 -15.448 7.619 1.00 0.00 H new ATOM 1821 N SER A 116 22.378 -18.382 6.459 1.00 0.00 N ATOM 1822 CA SER A 116 21.259 -18.809 7.292 1.00 0.00 C ATOM 1823 C SER A 116 21.628 -20.047 8.103 1.00 0.00 C ATOM 1824 O SER A 116 22.212 -20.995 7.580 1.00 0.00 O ATOM 1825 CB SER A 116 20.033 -19.100 6.425 1.00 0.00 C ATOM 1826 OG SER A 116 18.889 -19.342 7.226 1.00 0.00 O ATOM 0 H SER A 116 23.074 -19.107 6.284 1.00 0.00 H new ATOM 0 HA SER A 116 21.022 -18.000 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 116 19.844 -18.256 5.761 1.00 0.00 H new ATOM 0 HB3 SER A 116 20.228 -19.966 5.792 1.00 0.00 H new ATOM 0 HG SER A 116 18.118 -19.524 6.649 1.00 0.00 H new ATOM 1832 N GLY A 117 21.281 -20.031 9.387 1.00 0.00 N ATOM 1833 CA GLY A 117 21.583 -21.156 10.252 1.00 0.00 C ATOM 1834 C GLY A 117 21.814 -20.737 11.690 1.00 0.00 C ATOM 1835 O GLY A 117 22.948 -20.666 12.164 1.00 0.00 O ATOM 0 H GLY A 117 20.796 -19.258 9.843 1.00 0.00 H new ATOM 0 HA2 GLY A 117 20.761 -21.871 10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 117 22.470 -21.669 9.879 1.00 0.00 H new ATOM 1839 N PRO A 118 20.719 -20.450 12.409 1.00 0.00 N ATOM 1840 CA PRO A 118 20.782 -20.029 13.812 1.00 0.00 C ATOM 1841 C PRO A 118 21.212 -21.162 14.738 1.00 0.00 C ATOM 1842 O PRO A 118 20.714 -22.283 14.636 1.00 0.00 O ATOM 1843 CB PRO A 118 19.344 -19.605 14.120 1.00 0.00 C ATOM 1844 CG PRO A 118 18.507 -20.373 13.156 1.00 0.00 C ATOM 1845 CD PRO A 118 19.336 -20.513 11.909 1.00 0.00 C ATOM 0 HA PRO A 118 21.517 -19.239 13.968 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.075 -19.837 15.150 1.00 0.00 H new ATOM 0 HB3 PRO A 118 19.212 -18.531 13.991 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.242 -21.350 13.561 1.00 0.00 H new ATOM 0 HG3 PRO A 118 17.573 -19.851 12.947 1.00 0.00 H new ATOM 0 HD2 PRO A 118 19.136 -21.455 11.398 1.00 0.00 H new ATOM 0 HD3 PRO A 118 19.129 -19.714 11.197 1.00 0.00 H new ATOM 1853 N SER A 119 22.140 -20.862 15.641 1.00 0.00 N ATOM 1854 CA SER A 119 22.640 -21.856 16.584 1.00 0.00 C ATOM 1855 C SER A 119 21.742 -21.937 17.815 1.00 0.00 C ATOM 1856 O SER A 119 21.779 -21.065 18.682 1.00 0.00 O ATOM 1857 CB SER A 119 24.071 -21.517 17.004 1.00 0.00 C ATOM 1858 OG SER A 119 24.990 -21.806 15.964 1.00 0.00 O ATOM 0 H SER A 119 22.561 -19.938 15.740 1.00 0.00 H new ATOM 0 HA SER A 119 22.635 -22.826 16.088 1.00 0.00 H new ATOM 0 HB2 SER A 119 24.136 -20.461 17.268 1.00 0.00 H new ATOM 0 HB3 SER A 119 24.336 -22.085 17.896 1.00 0.00 H new ATOM 0 HG SER A 119 25.897 -21.579 16.257 1.00 0.00 H new ATOM 1864 N SER A 120 20.936 -22.992 17.883 1.00 0.00 N ATOM 1865 CA SER A 120 20.025 -23.187 19.005 1.00 0.00 C ATOM 1866 C SER A 120 20.713 -23.944 20.137 1.00 0.00 C ATOM 1867 O SER A 120 21.671 -24.682 19.913 1.00 0.00 O ATOM 1868 CB SER A 120 18.778 -23.947 18.551 1.00 0.00 C ATOM 1869 OG SER A 120 17.774 -23.056 18.097 1.00 0.00 O ATOM 0 H SER A 120 20.895 -23.725 17.174 1.00 0.00 H new ATOM 0 HA SER A 120 19.728 -22.206 19.375 1.00 0.00 H new ATOM 0 HB2 SER A 120 19.042 -24.640 17.752 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.392 -24.544 19.377 1.00 0.00 H new ATOM 0 HG SER A 120 16.988 -23.567 17.811 1.00 0.00 H new ATOM 1875 N GLY A 121 20.214 -23.755 21.355 1.00 0.00 N ATOM 1876 CA GLY A 121 20.791 -24.426 22.505 1.00 0.00 C ATOM 1877 C GLY A 121 20.293 -25.850 22.657 1.00 0.00 C ATOM 1878 O GLY A 121 20.115 -26.532 21.649 1.00 0.00 O ATOM 0 H GLY A 121 19.421 -23.149 21.566 1.00 0.00 H new ATOM 0 HA2 GLY A 121 21.877 -24.432 22.411 1.00 0.00 H new ATOM 0 HA3 GLY A 121 20.553 -23.863 23.407 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.615 -0.228 6.733 1.00 0.00 ZN