USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 MET CE :methyl -118:sc= -1.35 (180deg=-5.4!) USER MOD Set 1.2: A 55 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 GLN : amide:sc= -0.0672 X(o=-0.72,f=-0.79) USER MOD Set 2.2: A 5 HIS :FLIP no HD1:sc= -0.657 F(o=-1.5,f=-0.72) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0539) USER MOD Single : A 6 CYS SG : rot 155:sc= -0.328 USER MOD Single : A 7 ASN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.165 USER MOD Single : A 16 LYS NZ :NH3+ -149:sc= -0.142 (180deg=-0.964) USER MOD Single : A 17 LYS NZ :NH3+ 159:sc= -0.614 (180deg=-1.34) USER MOD Single : A 18 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-7.5!) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.921 USER MOD Single : A 26 TYR OH : rot 100:sc= -1.61! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 119:sc= 0.358 USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= 0.042 (180deg=-1.9!) USER MOD Single : A 56 MET CE :methyl -156:sc= -0.253 (180deg=-0.926) USER MOD Single : A 58 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 61 TYR OH : rot 60:sc= -2.58! USER MOD Single : A 65 GLN : amide:sc= 0.0102 K(o=0.01,f=-3.7!) USER MOD Single : A 74 MET CE :methyl -124:sc= -0.0011 (180deg=-1.04) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -5.6! C(o=-5.6!,f=-10!) USER MOD Single : A 78 CYS SG : rot -160:sc= -0.897 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 82 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.97) USER MOD Single : A 86 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.71) USER MOD Single : A 91 MET CE :methyl 143:sc= -0.229 (180deg=-1.24!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.3!) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -124:sc= -0.269 (180deg=-1.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.197 12.597 -1.564 1.00 0.00 N ATOM 2 CA GLU A 1 -15.841 11.166 -1.787 1.00 0.00 C ATOM 3 C GLU A 1 -14.550 10.793 -1.060 1.00 0.00 C ATOM 4 O GLU A 1 -13.666 11.630 -0.878 1.00 0.00 O ATOM 5 CB GLU A 1 -15.683 10.924 -3.293 1.00 0.00 C ATOM 6 CG GLU A 1 -16.301 9.618 -3.778 1.00 0.00 C ATOM 7 CD GLU A 1 -15.680 9.107 -5.070 1.00 0.00 C ATOM 8 OE1 GLU A 1 -15.246 9.939 -5.896 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.631 7.873 -5.256 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.078 12.819 -2.071 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.330 12.767 -0.547 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.431 13.205 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.638 10.540 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.139 11.753 -3.834 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.622 10.927 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.188 8.860 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.371 9.763 -3.929 1.00 0.00 H new ATOM 18 N GLN A 2 -14.449 9.526 -0.658 1.00 0.00 N ATOM 19 CA GLN A 2 -13.262 9.031 0.038 1.00 0.00 C ATOM 20 C GLN A 2 -12.187 8.590 -0.960 1.00 0.00 C ATOM 21 O GLN A 2 -10.995 8.611 -0.646 1.00 0.00 O ATOM 22 CB GLN A 2 -13.633 7.866 0.960 1.00 0.00 C ATOM 23 CG GLN A 2 -14.068 8.301 2.351 1.00 0.00 C ATOM 24 CD GLN A 2 -12.915 8.827 3.187 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.889 8.164 3.335 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.076 10.026 3.738 1.00 0.00 N ATOM 0 H GLN A 2 -15.175 8.824 -0.802 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.858 9.845 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.438 7.293 0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.776 7.198 1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.831 9.075 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.528 7.457 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.943 10.543 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.333 10.429 4.308 1.00 0.00 H new ATOM 35 N LEU A 3 -12.617 8.198 -2.164 1.00 0.00 N ATOM 36 CA LEU A 3 -11.694 7.759 -3.211 1.00 0.00 C ATOM 37 C LEU A 3 -10.656 8.841 -3.518 1.00 0.00 C ATOM 38 O LEU A 3 -9.477 8.538 -3.709 1.00 0.00 O ATOM 39 CB LEU A 3 -12.467 7.404 -4.485 1.00 0.00 C ATOM 40 CG LEU A 3 -12.051 6.091 -5.158 1.00 0.00 C ATOM 41 CD1 LEU A 3 -12.841 4.922 -4.585 1.00 0.00 C ATOM 42 CD2 LEU A 3 -12.244 6.182 -6.666 1.00 0.00 C ATOM 0 H LEU A 3 -13.600 8.176 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.172 6.873 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.528 7.349 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.345 8.216 -5.202 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.994 5.920 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.532 3.999 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.652 4.845 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.905 5.084 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.944 5.242 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.293 6.377 -6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.633 6.993 -7.063 1.00 0.00 H new ATOM 54 N LYS A 4 -11.101 10.102 -3.562 1.00 0.00 N ATOM 55 CA LYS A 4 -10.204 11.226 -3.843 1.00 0.00 C ATOM 56 C LYS A 4 -9.097 11.326 -2.791 1.00 0.00 C ATOM 57 O LYS A 4 -7.964 11.691 -3.108 1.00 0.00 O ATOM 58 CB LYS A 4 -10.984 12.546 -3.917 1.00 0.00 C ATOM 59 CG LYS A 4 -11.643 12.960 -2.607 1.00 0.00 C ATOM 60 CD LYS A 4 -10.853 14.053 -1.901 1.00 0.00 C ATOM 61 CE LYS A 4 -11.104 15.421 -2.521 1.00 0.00 C ATOM 62 NZ LYS A 4 -12.448 15.959 -2.166 1.00 0.00 N ATOM 0 H LYS A 4 -12.073 10.368 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.741 11.042 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.306 13.338 -4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.753 12.458 -4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.656 13.312 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.729 12.093 -1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.127 14.076 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.789 13.822 -1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.335 16.117 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.018 15.349 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.507 16.958 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.182 15.415 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.594 15.879 -1.139 1.00 0.00 H new ATOM 76 N HIS A 5 -9.430 10.995 -1.541 1.00 0.00 N ATOM 77 CA HIS A 5 -8.459 11.042 -0.449 1.00 0.00 C ATOM 78 C HIS A 5 -7.388 9.970 -0.637 1.00 0.00 C ATOM 79 O HIS A 5 -6.199 10.231 -0.447 1.00 0.00 O ATOM 80 CB HIS A 5 -9.155 10.854 0.902 1.00 0.00 C ATOM 81 CG HIS A 5 -10.057 11.989 1.280 1.00 0.00 C ATOM 82 ND1 HIS A 5 -11.344 11.997 1.700 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -9.656 13.307 1.258 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -11.695 13.307 1.925 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -10.656 14.076 1.649 1.00 0.00 N flip ATOM 0 H HIS A 5 -10.363 10.692 -1.262 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.982 12.022 -0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.737 9.933 0.875 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.398 10.730 1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.677 13.657 0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.659 13.651 2.270 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.631 15.093 1.725 1.00 0.00 H new ATOM 94 N CYS A 6 -7.818 8.764 -1.019 1.00 0.00 N ATOM 95 CA CYS A 6 -6.894 7.653 -1.245 1.00 0.00 C ATOM 96 C CYS A 6 -5.914 7.985 -2.370 1.00 0.00 C ATOM 97 O CYS A 6 -4.732 7.647 -2.294 1.00 0.00 O ATOM 98 CB CYS A 6 -7.664 6.374 -1.591 1.00 0.00 C ATOM 99 SG CYS A 6 -6.632 4.891 -1.678 1.00 0.00 S ATOM 0 H CYS A 6 -8.799 8.534 -1.178 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.332 7.491 -0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.443 6.218 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.164 6.512 -2.549 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.361 3.840 -1.445 1.00 0.00 H new ATOM 105 N ASN A 7 -6.417 8.655 -3.411 1.00 0.00 N ATOM 106 CA ASN A 7 -5.590 9.042 -4.552 1.00 0.00 C ATOM 107 C ASN A 7 -4.413 9.908 -4.108 1.00 0.00 C ATOM 108 O ASN A 7 -3.309 9.784 -4.641 1.00 0.00 O ATOM 109 CB ASN A 7 -6.429 9.790 -5.595 1.00 0.00 C ATOM 110 CG ASN A 7 -6.963 8.870 -6.677 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.589 8.983 -7.844 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.845 7.952 -6.295 1.00 0.00 N ATOM 0 H ASN A 7 -7.394 8.940 -3.485 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.195 8.131 -5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.264 10.285 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.822 10.571 -6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.239 7.307 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.128 7.893 -5.317 1.00 0.00 H new ATOM 119 N VAL A 8 -4.651 10.781 -3.126 1.00 0.00 N ATOM 120 CA VAL A 8 -3.605 11.661 -2.609 1.00 0.00 C ATOM 121 C VAL A 8 -2.433 10.850 -2.057 1.00 0.00 C ATOM 122 O VAL A 8 -1.273 11.143 -2.349 1.00 0.00 O ATOM 123 CB VAL A 8 -4.136 12.596 -1.499 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.079 13.621 -1.113 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.422 13.286 -1.936 1.00 0.00 C ATOM 0 H VAL A 8 -5.558 10.896 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.267 12.271 -3.447 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.362 11.988 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.471 14.271 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.190 13.107 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.818 14.221 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.775 13.938 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.231 13.879 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.182 12.535 -2.154 1.00 0.00 H new ATOM 135 N ILE A 9 -2.746 9.826 -1.263 1.00 0.00 N ATOM 136 CA ILE A 9 -1.718 8.971 -0.675 1.00 0.00 C ATOM 137 C ILE A 9 -0.959 8.209 -1.763 1.00 0.00 C ATOM 138 O ILE A 9 0.271 8.144 -1.739 1.00 0.00 O ATOM 139 CB ILE A 9 -2.316 7.966 0.337 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.174 8.700 1.375 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.207 7.177 1.022 1.00 0.00 C ATOM 142 CD1 ILE A 9 -3.863 7.777 2.358 1.00 0.00 C ATOM 0 H ILE A 9 -3.701 9.570 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.028 9.624 -0.141 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.952 7.266 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.544 9.398 1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.928 9.292 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.645 6.474 1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.635 6.628 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.546 7.863 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.451 8.367 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.520 7.095 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.114 7.203 2.904 1.00 0.00 H new ATOM 154 N LEU A 10 -1.699 7.644 -2.721 1.00 0.00 N ATOM 155 CA LEU A 10 -1.094 6.897 -3.825 1.00 0.00 C ATOM 156 C LEU A 10 -0.166 7.794 -4.647 1.00 0.00 C ATOM 157 O LEU A 10 0.936 7.385 -5.019 1.00 0.00 O ATOM 158 CB LEU A 10 -2.184 6.304 -4.730 1.00 0.00 C ATOM 159 CG LEU A 10 -1.920 4.884 -5.252 1.00 0.00 C ATOM 160 CD1 LEU A 10 -0.632 4.829 -6.061 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.874 3.888 -4.101 1.00 0.00 C ATOM 0 H LEU A 10 -2.717 7.690 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.504 6.085 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.124 6.299 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.319 6.966 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.744 4.610 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.470 3.812 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.708 5.505 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.206 5.131 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.686 2.888 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.075 4.164 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.828 3.898 -3.573 1.00 0.00 H new ATOM 173 N LYS A 11 -0.619 9.021 -4.925 1.00 0.00 N ATOM 174 CA LYS A 11 0.167 9.978 -5.700 1.00 0.00 C ATOM 175 C LYS A 11 1.444 10.363 -4.951 1.00 0.00 C ATOM 176 O LYS A 11 2.516 10.453 -5.549 1.00 0.00 O ATOM 177 CB LYS A 11 -0.680 11.224 -6.024 1.00 0.00 C ATOM 178 CG LYS A 11 0.017 12.552 -5.755 1.00 0.00 C ATOM 179 CD LYS A 11 -0.730 13.719 -6.384 1.00 0.00 C ATOM 180 CE LYS A 11 0.081 15.006 -6.314 1.00 0.00 C ATOM 181 NZ LYS A 11 -0.358 16.004 -7.333 1.00 0.00 N ATOM 0 H LYS A 11 -1.528 9.372 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 11 0.460 9.508 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.970 11.187 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.598 11.185 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.097 12.709 -4.679 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.033 12.516 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.958 13.488 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.682 13.860 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.014 15.440 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.136 14.777 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.221 16.864 -7.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.244 15.601 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.358 16.243 -7.176 1.00 0.00 H new ATOM 195 N GLU A 12 1.322 10.587 -3.641 1.00 0.00 N ATOM 196 CA GLU A 12 2.470 10.959 -2.816 1.00 0.00 C ATOM 197 C GLU A 12 3.470 9.807 -2.712 1.00 0.00 C ATOM 198 O GLU A 12 4.680 10.022 -2.798 1.00 0.00 O ATOM 199 CB GLU A 12 2.013 11.384 -1.418 1.00 0.00 C ATOM 200 CG GLU A 12 3.008 12.284 -0.702 1.00 0.00 C ATOM 201 CD GLU A 12 3.211 13.612 -1.407 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.464 14.564 -1.103 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.122 13.701 -2.259 1.00 0.00 O ATOM 0 H GLU A 12 0.441 10.517 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 12 2.966 11.802 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.058 11.903 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.841 10.493 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.660 12.467 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.966 11.769 -0.623 1.00 0.00 H new ATOM 210 N LEU A 13 2.957 8.585 -2.534 1.00 0.00 N ATOM 211 CA LEU A 13 3.809 7.398 -2.428 1.00 0.00 C ATOM 212 C LEU A 13 4.649 7.212 -3.696 1.00 0.00 C ATOM 213 O LEU A 13 5.790 6.751 -3.631 1.00 0.00 O ATOM 214 CB LEU A 13 2.961 6.144 -2.180 1.00 0.00 C ATOM 215 CG LEU A 13 2.330 6.036 -0.787 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.168 5.053 -0.803 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.371 5.616 0.240 1.00 0.00 C ATOM 0 H LEU A 13 1.958 8.393 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 13 4.481 7.545 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.164 6.113 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.586 5.266 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 13 1.947 7.017 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.732 4.989 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.411 5.396 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.528 4.070 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.905 5.545 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.784 4.646 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.171 6.356 0.271 1.00 0.00 H new ATOM 229 N LEU A 14 4.075 7.575 -4.847 1.00 0.00 N ATOM 230 CA LEU A 14 4.766 7.453 -6.132 1.00 0.00 C ATOM 231 C LEU A 14 5.568 8.716 -6.467 1.00 0.00 C ATOM 232 O LEU A 14 6.538 8.650 -7.223 1.00 0.00 O ATOM 233 CB LEU A 14 3.761 7.172 -7.253 1.00 0.00 C ATOM 234 CG LEU A 14 4.112 5.993 -8.166 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.857 5.449 -8.832 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.138 6.408 -9.214 1.00 0.00 C ATOM 0 H LEU A 14 3.131 7.956 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 14 5.463 6.619 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.785 6.985 -6.805 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.665 8.068 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 14 4.551 5.204 -7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.122 4.612 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.157 5.111 -8.068 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.392 6.234 -9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.373 5.555 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.730 7.215 -9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.046 6.751 -8.718 1.00 0.00 H new ATOM 248 N SER A 15 5.152 9.863 -5.916 1.00 0.00 N ATOM 249 CA SER A 15 5.831 11.135 -6.173 1.00 0.00 C ATOM 250 C SER A 15 7.289 11.089 -5.689 1.00 0.00 C ATOM 251 O SER A 15 8.150 10.535 -6.374 1.00 0.00 O ATOM 252 CB SER A 15 5.059 12.287 -5.508 1.00 0.00 C ATOM 253 OG SER A 15 5.782 13.506 -5.568 1.00 0.00 O ATOM 0 H SER A 15 4.349 9.934 -5.291 1.00 0.00 H new ATOM 0 HA SER A 15 5.851 11.309 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.095 12.411 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.855 12.036 -4.467 1.00 0.00 H new ATOM 0 HG SER A 15 5.262 14.216 -5.138 1.00 0.00 H new ATOM 259 N LYS A 16 7.568 11.665 -4.516 1.00 0.00 N ATOM 260 CA LYS A 16 8.926 11.669 -3.968 1.00 0.00 C ATOM 261 C LYS A 16 8.905 11.684 -2.436 1.00 0.00 C ATOM 262 O LYS A 16 9.826 12.203 -1.801 1.00 0.00 O ATOM 263 CB LYS A 16 9.715 12.881 -4.488 1.00 0.00 C ATOM 264 CG LYS A 16 9.893 12.911 -6.001 1.00 0.00 C ATOM 265 CD LYS A 16 10.823 11.805 -6.488 1.00 0.00 C ATOM 266 CE LYS A 16 12.218 12.331 -6.803 1.00 0.00 C ATOM 267 NZ LYS A 16 12.196 13.434 -7.810 1.00 0.00 N ATOM 0 H LYS A 16 6.875 12.132 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 16 9.418 10.754 -4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.206 13.793 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.698 12.888 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.921 12.806 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.294 13.880 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.892 11.028 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.400 11.342 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.684 12.690 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.836 11.514 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.072 13.410 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.378 13.312 -8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.123 14.349 -7.321 1.00 0.00 H new ATOM 281 N LYS A 17 7.855 11.109 -1.842 1.00 0.00 N ATOM 282 CA LYS A 17 7.729 11.058 -0.390 1.00 0.00 C ATOM 283 C LYS A 17 8.184 9.702 0.144 1.00 0.00 C ATOM 284 O LYS A 17 9.035 9.630 1.031 1.00 0.00 O ATOM 285 CB LYS A 17 6.283 11.332 0.029 1.00 0.00 C ATOM 286 CG LYS A 17 6.089 11.394 1.536 1.00 0.00 C ATOM 287 CD LYS A 17 5.232 12.581 1.946 1.00 0.00 C ATOM 288 CE LYS A 17 6.053 13.860 2.030 1.00 0.00 C ATOM 289 NZ LYS A 17 6.307 14.454 0.685 1.00 0.00 N ATOM 0 H LYS A 17 7.083 10.674 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 17 8.371 11.830 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.958 12.275 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.641 10.552 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.621 10.472 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.061 11.461 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.424 12.713 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.769 12.380 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.530 14.585 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.005 13.648 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.540 15.462 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.102 13.960 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.456 14.355 0.095 1.00 0.00 H new ATOM 303 N HIS A 18 7.611 8.632 -0.408 1.00 0.00 N ATOM 304 CA HIS A 18 7.955 7.272 0.005 1.00 0.00 C ATOM 305 C HIS A 18 8.267 6.390 -1.207 1.00 0.00 C ATOM 306 O HIS A 18 8.022 5.181 -1.186 1.00 0.00 O ATOM 307 CB HIS A 18 6.813 6.662 0.821 1.00 0.00 C ATOM 308 CG HIS A 18 6.400 7.505 1.985 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.278 7.922 2.960 1.00 0.00 N ATOM 310 CD2 HIS A 18 5.195 8.022 2.318 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.632 8.659 3.844 1.00 0.00 C ATOM 312 NE2 HIS A 18 5.366 8.737 3.478 1.00 0.00 N ATOM 0 H HIS A 18 6.906 8.682 -1.143 1.00 0.00 H new ATOM 0 HA HIS A 18 8.849 7.323 0.627 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.953 6.508 0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.119 5.680 1.183 1.00 0.00 H new ATOM 0 HD1 HIS A 18 8.272 7.697 2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.271 7.896 1.773 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.066 9.120 4.719 1.00 0.00 H new ATOM 321 N ALA A 19 8.820 7.001 -2.258 1.00 0.00 N ATOM 322 CA ALA A 19 9.176 6.269 -3.472 1.00 0.00 C ATOM 323 C ALA A 19 10.271 5.239 -3.195 1.00 0.00 C ATOM 324 O ALA A 19 10.349 4.215 -3.876 1.00 0.00 O ATOM 325 CB ALA A 19 9.622 7.228 -4.566 1.00 0.00 C ATOM 0 H ALA A 19 9.030 7.999 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 19 8.287 5.738 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.883 6.663 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.811 7.919 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.492 7.789 -4.225 1.00 0.00 H new ATOM 331 N ALA A 20 11.109 5.512 -2.187 1.00 0.00 N ATOM 332 CA ALA A 20 12.196 4.604 -1.816 1.00 0.00 C ATOM 333 C ALA A 20 11.668 3.203 -1.507 1.00 0.00 C ATOM 334 O ALA A 20 12.305 2.205 -1.844 1.00 0.00 O ATOM 335 CB ALA A 20 12.968 5.156 -0.625 1.00 0.00 C ATOM 0 H ALA A 20 11.053 6.355 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 20 12.873 4.527 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.772 4.469 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.390 6.127 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.295 5.268 0.225 1.00 0.00 H new ATOM 341 N TYR A 21 10.498 3.137 -0.873 1.00 0.00 N ATOM 342 CA TYR A 21 9.878 1.858 -0.531 1.00 0.00 C ATOM 343 C TYR A 21 8.791 1.480 -1.549 1.00 0.00 C ATOM 344 O TYR A 21 8.177 0.415 -1.446 1.00 0.00 O ATOM 345 CB TYR A 21 9.276 1.913 0.880 1.00 0.00 C ATOM 346 CG TYR A 21 10.102 2.699 1.879 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.487 2.580 1.913 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.496 3.557 2.786 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.241 3.294 2.821 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.244 4.275 3.699 1.00 0.00 C ATOM 351 CZ TYR A 21 11.617 4.139 3.712 1.00 0.00 C ATOM 352 OH TYR A 21 12.367 4.853 4.617 1.00 0.00 O ATOM 0 H TYR A 21 9.960 3.955 -0.586 1.00 0.00 H new ATOM 0 HA TYR A 21 10.655 1.094 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.281 2.354 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.152 0.895 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.980 1.918 1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.421 3.665 2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.316 3.191 2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.757 4.939 4.398 1.00 0.00 H new ATOM 0 HH TYR A 21 11.820 5.568 5.003 1.00 0.00 H new ATOM 362 N ALA A 22 8.561 2.357 -2.534 1.00 0.00 N ATOM 363 CA ALA A 22 7.555 2.117 -3.563 1.00 0.00 C ATOM 364 C ALA A 22 8.088 1.236 -4.689 1.00 0.00 C ATOM 365 O ALA A 22 7.449 0.252 -5.054 1.00 0.00 O ATOM 366 CB ALA A 22 7.050 3.438 -4.126 1.00 0.00 C ATOM 0 H ALA A 22 9.062 3.240 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 22 6.728 1.585 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.300 3.244 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.606 4.029 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.882 3.989 -4.564 1.00 0.00 H new ATOM 372 N TRP A 23 9.252 1.591 -5.248 1.00 0.00 N ATOM 373 CA TRP A 23 9.839 0.815 -6.346 1.00 0.00 C ATOM 374 C TRP A 23 10.065 -0.659 -5.973 1.00 0.00 C ATOM 375 O TRP A 23 9.891 -1.535 -6.823 1.00 0.00 O ATOM 376 CB TRP A 23 11.145 1.449 -6.857 1.00 0.00 C ATOM 377 CG TRP A 23 12.236 1.556 -5.833 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.560 2.656 -5.094 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.156 0.527 -5.445 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.615 2.373 -4.263 1.00 0.00 N ATOM 381 CE2 TRP A 23 14.000 1.074 -4.460 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.344 -0.804 -5.829 1.00 0.00 C ATOM 383 CZ2 TRP A 23 15.016 0.336 -3.857 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.352 -1.535 -5.230 1.00 0.00 C ATOM 385 CH2 TRP A 23 15.177 -0.963 -4.254 1.00 0.00 C ATOM 0 H TRP A 23 9.800 2.402 -4.961 1.00 0.00 H new ATOM 0 HA TRP A 23 9.108 0.837 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.512 0.862 -7.699 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.924 2.446 -7.237 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.059 3.611 -5.154 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.043 3.025 -3.605 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.712 -1.253 -6.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.654 0.774 -3.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.506 -2.564 -5.519 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.957 -1.560 -3.805 1.00 0.00 H new ATOM 396 N PRO A 24 10.444 -0.974 -4.709 1.00 0.00 N ATOM 397 CA PRO A 24 10.668 -2.360 -4.285 1.00 0.00 C ATOM 398 C PRO A 24 9.365 -3.153 -4.218 1.00 0.00 C ATOM 399 O PRO A 24 9.293 -4.282 -4.704 1.00 0.00 O ATOM 400 CB PRO A 24 11.288 -2.236 -2.884 1.00 0.00 C ATOM 401 CG PRO A 24 11.615 -0.790 -2.711 1.00 0.00 C ATOM 402 CD PRO A 24 10.674 -0.037 -3.602 1.00 0.00 C ATOM 0 HA PRO A 24 11.305 -2.895 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.591 -2.574 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.183 -2.853 -2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.494 -0.486 -1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.652 -0.590 -2.983 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.747 0.215 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.110 0.899 -3.950 1.00 0.00 H new ATOM 410 N PHE A 25 8.335 -2.552 -3.616 1.00 0.00 N ATOM 411 CA PHE A 25 7.033 -3.207 -3.490 1.00 0.00 C ATOM 412 C PHE A 25 6.182 -3.040 -4.758 1.00 0.00 C ATOM 413 O PHE A 25 5.114 -3.644 -4.872 1.00 0.00 O ATOM 414 CB PHE A 25 6.276 -2.657 -2.275 1.00 0.00 C ATOM 415 CG PHE A 25 6.900 -3.020 -0.952 1.00 0.00 C ATOM 416 CD1 PHE A 25 7.281 -4.326 -0.681 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.102 -2.054 0.021 1.00 0.00 C ATOM 418 CE1 PHE A 25 7.851 -4.660 0.533 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.672 -2.381 1.237 1.00 0.00 C ATOM 420 CZ PHE A 25 8.047 -3.686 1.493 1.00 0.00 C ATOM 0 H PHE A 25 8.378 -1.617 -3.210 1.00 0.00 H new ATOM 0 HA PHE A 25 7.216 -4.272 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.221 -1.571 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.252 -3.030 -2.297 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.130 -5.091 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.810 -1.032 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.143 -5.681 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.824 -1.618 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.493 -3.944 2.442 1.00 0.00 H new ATOM 430 N TYR A 26 6.653 -2.221 -5.706 1.00 0.00 N ATOM 431 CA TYR A 26 5.925 -1.984 -6.952 1.00 0.00 C ATOM 432 C TYR A 26 5.921 -3.227 -7.838 1.00 0.00 C ATOM 433 O TYR A 26 4.860 -3.697 -8.253 1.00 0.00 O ATOM 434 CB TYR A 26 6.543 -0.811 -7.722 1.00 0.00 C ATOM 435 CG TYR A 26 5.528 0.103 -8.372 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.595 -0.390 -9.277 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.509 1.463 -8.085 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.672 0.446 -9.875 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.591 2.305 -8.680 1.00 0.00 C ATOM 440 CZ TYR A 26 3.674 1.792 -9.575 1.00 0.00 C ATOM 441 OH TYR A 26 2.757 2.625 -10.173 1.00 0.00 O ATOM 0 H TYR A 26 7.534 -1.713 -5.631 1.00 0.00 H new ATOM 0 HA TYR A 26 4.896 -1.742 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.158 -0.226 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.207 -1.205 -8.491 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.592 -1.443 -9.516 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.225 1.868 -7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.952 0.047 -10.574 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.590 3.359 -8.446 1.00 0.00 H new ATOM 0 HH TYR A 26 2.017 2.796 -9.553 1.00 0.00 H new ATOM 451 N LYS A 27 7.115 -3.746 -8.135 1.00 0.00 N ATOM 452 CA LYS A 27 7.256 -4.928 -8.984 1.00 0.00 C ATOM 453 C LYS A 27 6.454 -6.109 -8.436 1.00 0.00 C ATOM 454 O LYS A 27 6.583 -6.462 -7.262 1.00 0.00 O ATOM 455 CB LYS A 27 8.729 -5.323 -9.113 1.00 0.00 C ATOM 456 CG LYS A 27 9.489 -4.527 -10.163 1.00 0.00 C ATOM 457 CD LYS A 27 10.476 -5.402 -10.918 1.00 0.00 C ATOM 458 CE LYS A 27 11.006 -4.702 -12.159 1.00 0.00 C ATOM 459 NZ LYS A 27 12.080 -5.488 -12.827 1.00 0.00 N ATOM 0 H LYS A 27 7.999 -3.364 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 27 6.863 -4.672 -9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.217 -5.191 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.791 -6.383 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.784 -4.083 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.022 -3.706 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.307 -5.663 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.991 -6.335 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.188 -4.538 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.392 -3.720 -11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.413 -4.975 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.873 -5.623 -12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.705 -6.415 -13.113 1.00 0.00 H new ATOM 473 N PRO A 28 5.614 -6.736 -9.286 1.00 0.00 N ATOM 474 CA PRO A 28 4.790 -7.884 -8.889 1.00 0.00 C ATOM 475 C PRO A 28 5.630 -9.109 -8.531 1.00 0.00 C ATOM 476 O PRO A 28 6.861 -9.041 -8.485 1.00 0.00 O ATOM 477 CB PRO A 28 3.926 -8.171 -10.129 1.00 0.00 C ATOM 478 CG PRO A 28 4.041 -6.953 -10.980 1.00 0.00 C ATOM 479 CD PRO A 28 5.398 -6.379 -10.697 1.00 0.00 C ATOM 0 HA PRO A 28 4.207 -7.665 -7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.280 -9.056 -10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.889 -8.360 -9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.935 -7.203 -12.036 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.256 -6.235 -10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.162 -6.809 -11.345 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.421 -5.300 -10.849 1.00 0.00 H new ATOM 487 N VAL A 29 4.954 -10.226 -8.276 1.00 0.00 N ATOM 488 CA VAL A 29 5.629 -11.467 -7.918 1.00 0.00 C ATOM 489 C VAL A 29 5.064 -12.643 -8.713 1.00 0.00 C ATOM 490 O VAL A 29 4.128 -13.314 -8.268 1.00 0.00 O ATOM 491 CB VAL A 29 5.507 -11.758 -6.405 1.00 0.00 C ATOM 492 CG1 VAL A 29 6.403 -12.924 -6.010 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.844 -10.515 -5.590 1.00 0.00 C ATOM 0 H VAL A 29 3.937 -10.296 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 29 6.684 -11.344 -8.164 1.00 0.00 H new ATOM 0 HB VAL A 29 4.475 -12.035 -6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.303 -13.114 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.108 -13.814 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.440 -12.680 -6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.752 -10.741 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.865 -10.203 -5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.156 -9.711 -5.851 1.00 0.00 H new ATOM 503 N ASP A 30 5.638 -12.885 -9.893 1.00 0.00 N ATOM 504 CA ASP A 30 5.193 -13.978 -10.756 1.00 0.00 C ATOM 505 C ASP A 30 5.731 -15.317 -10.259 1.00 0.00 C ATOM 506 O ASP A 30 6.691 -15.857 -10.812 1.00 0.00 O ATOM 507 CB ASP A 30 5.636 -13.745 -12.205 1.00 0.00 C ATOM 508 CG ASP A 30 5.231 -12.382 -12.739 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.123 -11.911 -12.403 1.00 0.00 O ATOM 510 OD2 ASP A 30 6.025 -11.787 -13.496 1.00 0.00 O ATOM 0 H ASP A 30 6.412 -12.338 -10.272 1.00 0.00 H new ATOM 0 HA ASP A 30 4.104 -14.004 -10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.719 -13.846 -12.268 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.206 -14.520 -12.839 1.00 0.00 H new ATOM 515 N ALA A 31 5.105 -15.850 -9.214 1.00 0.00 N ATOM 516 CA ALA A 31 5.519 -17.128 -8.642 1.00 0.00 C ATOM 517 C ALA A 31 5.224 -18.285 -9.597 1.00 0.00 C ATOM 518 O ALA A 31 5.980 -19.255 -9.660 1.00 0.00 O ATOM 519 CB ALA A 31 4.830 -17.355 -7.303 1.00 0.00 C ATOM 0 H ALA A 31 4.309 -15.417 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 31 6.597 -17.093 -8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.148 -18.311 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.099 -16.553 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.750 -17.363 -7.446 1.00 0.00 H new ATOM 525 N SER A 32 4.118 -18.178 -10.335 1.00 0.00 N ATOM 526 CA SER A 32 3.719 -19.219 -11.282 1.00 0.00 C ATOM 527 C SER A 32 4.387 -19.028 -12.646 1.00 0.00 C ATOM 528 O SER A 32 4.781 -20.002 -13.289 1.00 0.00 O ATOM 529 CB SER A 32 2.196 -19.234 -11.449 1.00 0.00 C ATOM 530 OG SER A 32 1.543 -19.193 -10.191 1.00 0.00 O ATOM 0 H SER A 32 3.483 -17.381 -10.295 1.00 0.00 H new ATOM 0 HA SER A 32 4.048 -20.175 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.885 -18.381 -12.051 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.895 -20.132 -11.989 1.00 0.00 H new ATOM 0 HG SER A 32 0.572 -19.202 -10.326 1.00 0.00 H new ATOM 536 N ALA A 33 4.500 -17.773 -13.087 1.00 0.00 N ATOM 537 CA ALA A 33 5.108 -17.464 -14.382 1.00 0.00 C ATOM 538 C ALA A 33 6.632 -17.588 -14.340 1.00 0.00 C ATOM 539 O ALA A 33 7.210 -18.407 -15.053 1.00 0.00 O ATOM 540 CB ALA A 33 4.697 -16.070 -14.840 1.00 0.00 C ATOM 0 H ALA A 33 4.179 -16.956 -12.567 1.00 0.00 H new ATOM 0 HA ALA A 33 4.742 -18.196 -15.102 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.157 -15.854 -15.804 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.612 -16.024 -14.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.028 -15.334 -14.107 1.00 0.00 H new ATOM 546 N LEU A 34 7.279 -16.767 -13.509 1.00 0.00 N ATOM 547 CA LEU A 34 8.739 -16.789 -13.390 1.00 0.00 C ATOM 548 C LEU A 34 9.223 -18.095 -12.760 1.00 0.00 C ATOM 549 O LEU A 34 9.858 -18.913 -13.430 1.00 0.00 O ATOM 550 CB LEU A 34 9.235 -15.591 -12.570 1.00 0.00 C ATOM 551 CG LEU A 34 10.057 -14.561 -13.352 1.00 0.00 C ATOM 552 CD1 LEU A 34 9.667 -13.147 -12.947 1.00 0.00 C ATOM 553 CD2 LEU A 34 11.547 -14.791 -13.136 1.00 0.00 C ATOM 0 H LEU A 34 6.817 -16.082 -12.911 1.00 0.00 H new ATOM 0 HA LEU A 34 9.154 -16.721 -14.396 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.372 -15.088 -12.133 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.840 -15.963 -11.743 1.00 0.00 H new ATOM 0 HG LEU A 34 9.842 -14.684 -14.414 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.261 -12.429 -13.513 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.609 -12.987 -13.156 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.851 -13.010 -11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.115 -14.050 -13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.780 -14.697 -12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.814 -15.790 -13.479 1.00 0.00 H new ATOM 565 N GLY A 35 8.923 -18.288 -11.474 1.00 0.00 N ATOM 566 CA GLY A 35 9.342 -19.500 -10.790 1.00 0.00 C ATOM 567 C GLY A 35 9.521 -19.304 -9.296 1.00 0.00 C ATOM 568 O GLY A 35 10.560 -18.818 -8.849 1.00 0.00 O ATOM 0 H GLY A 35 8.400 -17.629 -10.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.603 -20.282 -10.963 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.281 -19.848 -11.221 1.00 0.00 H new ATOM 572 N LEU A 36 8.504 -19.691 -8.524 1.00 0.00 N ATOM 573 CA LEU A 36 8.545 -19.567 -7.068 1.00 0.00 C ATOM 574 C LEU A 36 7.379 -20.316 -6.425 1.00 0.00 C ATOM 575 O LEU A 36 6.215 -20.000 -6.675 1.00 0.00 O ATOM 576 CB LEU A 36 8.504 -18.093 -6.651 1.00 0.00 C ATOM 577 CG LEU A 36 9.818 -17.537 -6.093 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.088 -16.147 -6.651 1.00 0.00 C ATOM 579 CD2 LEU A 36 9.787 -17.507 -4.570 1.00 0.00 C ATOM 0 H LEU A 36 7.640 -20.094 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 36 9.479 -20.009 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.213 -17.495 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.726 -17.966 -5.899 1.00 0.00 H new ATOM 0 HG LEU A 36 10.628 -18.196 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.025 -15.767 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.159 -16.198 -7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.274 -15.478 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.730 -17.109 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.966 -16.873 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.643 -18.518 -4.189 1.00 0.00 H new ATOM 591 N HIS A 37 7.695 -21.308 -5.594 1.00 0.00 N ATOM 592 CA HIS A 37 6.664 -22.093 -4.915 1.00 0.00 C ATOM 593 C HIS A 37 6.433 -21.587 -3.493 1.00 0.00 C ATOM 594 O HIS A 37 5.300 -21.562 -3.020 1.00 0.00 O ATOM 595 CB HIS A 37 7.042 -23.573 -4.890 1.00 0.00 C ATOM 596 CG HIS A 37 6.653 -24.296 -6.140 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.398 -24.831 -6.340 1.00 0.00 N ATOM 598 CD2 HIS A 37 7.355 -24.559 -7.268 1.00 0.00 C ATOM 599 CE1 HIS A 37 5.345 -25.391 -7.535 1.00 0.00 C ATOM 600 NE2 HIS A 37 6.520 -25.239 -8.118 1.00 0.00 N ATOM 0 H HIS A 37 8.651 -21.587 -5.375 1.00 0.00 H new ATOM 0 HA HIS A 37 5.736 -21.976 -5.475 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.118 -23.665 -4.743 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.562 -24.051 -4.036 1.00 0.00 H new ATOM 0 HD2 HIS A 37 8.381 -24.284 -7.462 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.487 -25.888 -7.962 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.767 -25.573 -9.050 1.00 0.00 H new ATOM 609 N ASP A 38 7.512 -21.180 -2.819 1.00 0.00 N ATOM 610 CA ASP A 38 7.421 -20.669 -1.450 1.00 0.00 C ATOM 611 C ASP A 38 6.436 -19.497 -1.358 1.00 0.00 C ATOM 612 O ASP A 38 5.734 -19.347 -0.359 1.00 0.00 O ATOM 613 CB ASP A 38 8.806 -20.233 -0.949 1.00 0.00 C ATOM 614 CG ASP A 38 9.685 -21.405 -0.540 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.603 -22.471 -1.186 1.00 0.00 O ATOM 616 OD2 ASP A 38 10.459 -21.253 0.428 1.00 0.00 O ATOM 0 H ASP A 38 8.458 -21.195 -3.200 1.00 0.00 H new ATOM 0 HA ASP A 38 7.050 -21.475 -0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.308 -19.665 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.684 -19.563 -0.098 1.00 0.00 H new ATOM 621 N TYR A 39 6.380 -18.675 -2.410 1.00 0.00 N ATOM 622 CA TYR A 39 5.471 -17.526 -2.442 1.00 0.00 C ATOM 623 C TYR A 39 4.019 -17.960 -2.680 1.00 0.00 C ATOM 624 O TYR A 39 3.087 -17.275 -2.258 1.00 0.00 O ATOM 625 CB TYR A 39 5.901 -16.534 -3.528 1.00 0.00 C ATOM 626 CG TYR A 39 5.647 -15.087 -3.164 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.373 -14.539 -3.249 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.684 -14.269 -2.736 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.141 -13.219 -2.918 1.00 0.00 C ATOM 630 CE2 TYR A 39 6.460 -12.947 -2.403 1.00 0.00 C ATOM 631 CZ TYR A 39 5.187 -12.427 -2.496 1.00 0.00 C ATOM 632 OH TYR A 39 4.959 -11.110 -2.169 1.00 0.00 O ATOM 0 H TYR A 39 6.951 -18.783 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 39 5.524 -17.040 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.964 -16.668 -3.730 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.370 -16.766 -4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.551 -15.156 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.683 -14.673 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.144 -12.809 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.278 -12.324 -2.072 1.00 0.00 H new ATOM 0 HH TYR A 39 5.800 -10.692 -1.890 1.00 0.00 H new ATOM 642 N HIS A 40 3.831 -19.093 -3.360 1.00 0.00 N ATOM 643 CA HIS A 40 2.488 -19.601 -3.652 1.00 0.00 C ATOM 644 C HIS A 40 2.021 -20.626 -2.610 1.00 0.00 C ATOM 645 O HIS A 40 0.820 -20.848 -2.452 1.00 0.00 O ATOM 646 CB HIS A 40 2.451 -20.223 -5.049 1.00 0.00 C ATOM 647 CG HIS A 40 1.129 -20.074 -5.738 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.058 -20.912 -5.506 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.709 -19.180 -6.665 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.961 -20.542 -6.262 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.592 -19.493 -6.973 1.00 0.00 N ATOM 0 H HIS A 40 4.589 -19.675 -3.718 1.00 0.00 H new ATOM 0 HA HIS A 40 1.804 -18.754 -3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.225 -19.763 -5.663 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.694 -21.283 -4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.290 -18.371 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.930 -21.017 -6.293 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.178 -18.995 -7.643 1.00 0.00 H new ATOM 660 N ASP A 41 2.965 -21.255 -1.908 1.00 0.00 N ATOM 661 CA ASP A 41 2.627 -22.255 -0.897 1.00 0.00 C ATOM 662 C ASP A 41 2.503 -21.621 0.485 1.00 0.00 C ATOM 663 O ASP A 41 1.510 -21.830 1.182 1.00 0.00 O ATOM 664 CB ASP A 41 3.676 -23.370 -0.871 1.00 0.00 C ATOM 665 CG ASP A 41 3.184 -24.638 -1.543 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.796 -24.570 -2.730 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.184 -25.698 -0.883 1.00 0.00 O ATOM 0 H ASP A 41 3.965 -21.090 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 41 1.662 -22.685 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.582 -23.025 -1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.944 -23.590 0.162 1.00 0.00 H new ATOM 672 N ILE A 42 3.512 -20.845 0.875 1.00 0.00 N ATOM 673 CA ILE A 42 3.509 -20.180 2.177 1.00 0.00 C ATOM 674 C ILE A 42 2.459 -19.068 2.228 1.00 0.00 C ATOM 675 O ILE A 42 1.776 -18.898 3.240 1.00 0.00 O ATOM 676 CB ILE A 42 4.892 -19.583 2.521 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.989 -20.642 2.376 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.889 -19.008 3.932 1.00 0.00 C ATOM 679 CD1 ILE A 42 7.373 -20.057 2.200 1.00 0.00 C ATOM 0 H ILE A 42 4.341 -20.661 0.310 1.00 0.00 H new ATOM 0 HA ILE A 42 3.264 -20.945 2.914 1.00 0.00 H new ATOM 0 HB ILE A 42 5.100 -18.775 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.983 -21.283 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.760 -21.276 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.871 -18.592 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.137 -18.222 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.657 -19.798 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.100 -20.864 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.395 -19.439 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.623 -19.446 3.067 1.00 0.00 H new ATOM 691 N ILE A 43 2.337 -18.310 1.137 1.00 0.00 N ATOM 692 CA ILE A 43 1.372 -17.216 1.069 1.00 0.00 C ATOM 693 C ILE A 43 0.107 -17.633 0.318 1.00 0.00 C ATOM 694 O ILE A 43 -0.992 -17.582 0.873 1.00 0.00 O ATOM 695 CB ILE A 43 1.976 -15.965 0.390 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.330 -15.611 1.016 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.016 -14.787 0.494 1.00 0.00 C ATOM 698 CD1 ILE A 43 4.070 -14.516 0.278 1.00 0.00 C ATOM 0 H ILE A 43 2.894 -18.435 0.291 1.00 0.00 H new ATOM 0 HA ILE A 43 1.111 -16.968 2.098 1.00 0.00 H new ATOM 0 HB ILE A 43 2.135 -16.190 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.173 -15.300 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.953 -16.505 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.457 -13.915 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.077 -15.039 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.827 -14.563 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.019 -14.318 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.258 -14.832 -0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.466 -13.608 0.273 1.00 0.00 H new ATOM 710 N LYS A 44 0.271 -18.031 -0.951 1.00 0.00 N ATOM 711 CA LYS A 44 -0.846 -18.452 -1.804 1.00 0.00 C ATOM 712 C LYS A 44 -1.602 -17.256 -2.399 1.00 0.00 C ATOM 713 O LYS A 44 -2.201 -17.375 -3.470 1.00 0.00 O ATOM 714 CB LYS A 44 -1.805 -19.355 -1.027 1.00 0.00 C ATOM 715 CG LYS A 44 -2.314 -20.542 -1.833 1.00 0.00 C ATOM 716 CD LYS A 44 -3.756 -20.876 -1.490 1.00 0.00 C ATOM 717 CE LYS A 44 -4.498 -21.434 -2.694 1.00 0.00 C ATOM 718 NZ LYS A 44 -5.970 -21.486 -2.470 1.00 0.00 N ATOM 0 H LYS A 44 1.180 -18.070 -1.413 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.422 -19.015 -2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.300 -19.723 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.656 -18.763 -0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.235 -20.320 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.683 -21.410 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.779 -21.602 -0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.263 -19.980 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.286 -20.817 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.130 -22.436 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.436 -21.873 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.175 -22.095 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.327 -20.527 -2.286 1.00 0.00 H new ATOM 732 N HIS A 45 -1.570 -16.106 -1.713 1.00 0.00 N ATOM 733 CA HIS A 45 -2.248 -14.904 -2.190 1.00 0.00 C ATOM 734 C HIS A 45 -1.245 -13.759 -2.373 1.00 0.00 C ATOM 735 O HIS A 45 -1.099 -12.901 -1.499 1.00 0.00 O ATOM 736 CB HIS A 45 -3.352 -14.495 -1.208 1.00 0.00 C ATOM 737 CG HIS A 45 -4.651 -14.152 -1.871 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.558 -15.104 -2.290 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.199 -12.952 -2.181 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.606 -14.505 -2.829 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.412 -13.200 -2.774 1.00 0.00 N ATOM 0 H HIS A 45 -1.080 -15.988 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.702 -15.121 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.518 -15.309 -0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.012 -13.636 -0.630 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.763 -11.981 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.473 -14.999 -3.243 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.059 -12.490 -3.117 1.00 0.00 H new ATOM 750 N PRO A 46 -0.531 -13.739 -3.517 1.00 0.00 N ATOM 751 CA PRO A 46 0.470 -12.702 -3.815 1.00 0.00 C ATOM 752 C PRO A 46 -0.157 -11.327 -4.056 1.00 0.00 C ATOM 753 O PRO A 46 -1.025 -11.172 -4.919 1.00 0.00 O ATOM 754 CB PRO A 46 1.150 -13.218 -5.088 1.00 0.00 C ATOM 755 CG PRO A 46 0.135 -14.100 -5.729 1.00 0.00 C ATOM 756 CD PRO A 46 -0.637 -14.730 -4.604 1.00 0.00 C ATOM 0 HA PRO A 46 1.156 -12.551 -2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.433 -12.397 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.062 -13.768 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.524 -13.527 -6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.613 -14.860 -6.347 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.675 -14.912 -4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.212 -15.691 -4.314 1.00 0.00 H new ATOM 764 N MET A 47 0.292 -10.333 -3.286 1.00 0.00 N ATOM 765 CA MET A 47 -0.216 -8.968 -3.408 1.00 0.00 C ATOM 766 C MET A 47 0.931 -7.975 -3.591 1.00 0.00 C ATOM 767 O MET A 47 1.844 -7.908 -2.765 1.00 0.00 O ATOM 768 CB MET A 47 -1.039 -8.590 -2.172 1.00 0.00 C ATOM 769 CG MET A 47 -2.194 -7.647 -2.474 1.00 0.00 C ATOM 770 SD MET A 47 -3.461 -8.407 -3.507 1.00 0.00 S ATOM 771 CE MET A 47 -4.100 -6.972 -4.366 1.00 0.00 C ATOM 0 H MET A 47 1.009 -10.450 -2.570 1.00 0.00 H new ATOM 0 HA MET A 47 -0.857 -8.925 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.432 -9.499 -1.716 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.383 -8.123 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.644 -7.318 -1.537 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.810 -6.757 -2.973 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.153 -6.839 -4.118 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.541 -6.087 -4.062 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.996 -7.115 -5.441 1.00 0.00 H new ATOM 781 N ASP A 48 0.875 -7.210 -4.680 1.00 0.00 N ATOM 782 CA ASP A 48 1.904 -6.217 -4.984 1.00 0.00 C ATOM 783 C ASP A 48 1.273 -4.874 -5.361 1.00 0.00 C ATOM 784 O ASP A 48 0.088 -4.807 -5.696 1.00 0.00 O ATOM 785 CB ASP A 48 2.800 -6.712 -6.124 1.00 0.00 C ATOM 786 CG ASP A 48 2.006 -7.078 -7.366 1.00 0.00 C ATOM 787 OD1 ASP A 48 1.490 -8.215 -7.431 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.894 -6.225 -8.271 1.00 0.00 O ATOM 0 H ASP A 48 0.125 -7.259 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 48 2.511 -6.074 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.526 -5.938 -6.375 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.365 -7.581 -5.788 1.00 0.00 H new ATOM 793 N LEU A 49 2.074 -3.809 -5.302 1.00 0.00 N ATOM 794 CA LEU A 49 1.600 -2.462 -5.630 1.00 0.00 C ATOM 795 C LEU A 49 1.053 -2.376 -7.059 1.00 0.00 C ATOM 796 O LEU A 49 0.046 -1.707 -7.295 1.00 0.00 O ATOM 797 CB LEU A 49 2.724 -1.437 -5.449 1.00 0.00 C ATOM 798 CG LEU A 49 2.379 -0.238 -4.562 1.00 0.00 C ATOM 799 CD1 LEU A 49 1.145 0.483 -5.084 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.171 -0.686 -3.123 1.00 0.00 C ATOM 0 H LEU A 49 3.056 -3.853 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 49 0.785 -2.236 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.591 -1.944 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.019 -1.068 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 49 3.215 0.461 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.919 1.331 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.333 0.838 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.298 -0.203 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.926 0.178 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.354 -1.406 -3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.084 -1.151 -2.751 1.00 0.00 H new ATOM 812 N SER A 50 1.717 -3.041 -8.009 1.00 0.00 N ATOM 813 CA SER A 50 1.276 -3.013 -9.407 1.00 0.00 C ATOM 814 C SER A 50 -0.161 -3.514 -9.541 1.00 0.00 C ATOM 815 O SER A 50 -0.947 -2.965 -10.319 1.00 0.00 O ATOM 816 CB SER A 50 2.203 -3.848 -10.293 1.00 0.00 C ATOM 817 OG SER A 50 2.621 -3.106 -11.427 1.00 0.00 O ATOM 0 H SER A 50 2.553 -3.600 -7.839 1.00 0.00 H new ATOM 0 HA SER A 50 1.316 -1.976 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.074 -4.164 -9.719 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.688 -4.753 -10.615 1.00 0.00 H new ATOM 0 HG SER A 50 3.214 -3.658 -11.979 1.00 0.00 H new ATOM 823 N THR A 51 -0.500 -4.554 -8.779 1.00 0.00 N ATOM 824 CA THR A 51 -1.847 -5.120 -8.815 1.00 0.00 C ATOM 825 C THR A 51 -2.855 -4.173 -8.161 1.00 0.00 C ATOM 826 O THR A 51 -3.962 -3.992 -8.670 1.00 0.00 O ATOM 827 CB THR A 51 -1.880 -6.489 -8.122 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.056 -7.416 -8.804 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.266 -7.086 -8.044 1.00 0.00 C ATOM 0 H THR A 51 0.137 -5.019 -8.132 1.00 0.00 H new ATOM 0 HA THR A 51 -2.126 -5.252 -9.860 1.00 0.00 H new ATOM 0 HB THR A 51 -1.520 -6.308 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.343 -7.723 -8.205 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.218 -8.053 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.919 -6.418 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.662 -7.218 -9.051 1.00 0.00 H new ATOM 837 N VAL A 52 -2.465 -3.563 -7.039 1.00 0.00 N ATOM 838 CA VAL A 52 -3.340 -2.627 -6.330 1.00 0.00 C ATOM 839 C VAL A 52 -3.685 -1.428 -7.214 1.00 0.00 C ATOM 840 O VAL A 52 -4.829 -0.964 -7.227 1.00 0.00 O ATOM 841 CB VAL A 52 -2.697 -2.120 -5.019 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.688 -1.277 -4.229 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.188 -3.284 -4.178 1.00 0.00 C ATOM 0 H VAL A 52 -1.553 -3.700 -6.604 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.250 -3.173 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.844 -1.493 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.218 -0.929 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.994 -0.419 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.563 -1.879 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.740 -2.902 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.019 -3.943 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.440 -3.841 -4.742 1.00 0.00 H new ATOM 853 N LYS A 53 -2.690 -0.940 -7.959 1.00 0.00 N ATOM 854 CA LYS A 53 -2.880 0.195 -8.858 1.00 0.00 C ATOM 855 C LYS A 53 -3.936 -0.124 -9.918 1.00 0.00 C ATOM 856 O LYS A 53 -4.810 0.696 -10.199 1.00 0.00 O ATOM 857 CB LYS A 53 -1.553 0.565 -9.528 1.00 0.00 C ATOM 858 CG LYS A 53 -1.521 1.980 -10.083 1.00 0.00 C ATOM 859 CD LYS A 53 -2.131 2.044 -11.474 1.00 0.00 C ATOM 860 CE LYS A 53 -2.041 3.444 -12.062 1.00 0.00 C ATOM 861 NZ LYS A 53 -2.827 4.439 -11.275 1.00 0.00 N ATOM 0 H LYS A 53 -1.742 -1.317 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.229 1.044 -8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.746 0.450 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.357 -0.138 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.065 2.647 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.491 2.335 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.618 1.340 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.175 1.734 -11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.997 3.755 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.404 3.428 -13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.486 4.939 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.364 3.948 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.179 5.125 -10.837 1.00 0.00 H new ATOM 875 N ARG A 54 -3.853 -1.323 -10.498 1.00 0.00 N ATOM 876 CA ARG A 54 -4.807 -1.749 -11.521 1.00 0.00 C ATOM 877 C ARG A 54 -6.233 -1.777 -10.964 1.00 0.00 C ATOM 878 O ARG A 54 -7.180 -1.384 -11.648 1.00 0.00 O ATOM 879 CB ARG A 54 -4.429 -3.134 -12.061 1.00 0.00 C ATOM 880 CG ARG A 54 -5.316 -3.610 -13.205 1.00 0.00 C ATOM 881 CD ARG A 54 -5.602 -5.102 -13.111 1.00 0.00 C ATOM 882 NE ARG A 54 -4.713 -5.890 -13.963 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.881 -6.050 -15.281 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.903 -5.471 -15.909 1.00 0.00 N ATOM 885 NH2 ARG A 54 -4.022 -6.789 -15.973 1.00 0.00 N ATOM 0 H ARG A 54 -3.136 -2.014 -10.277 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.770 -1.027 -12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.394 -3.111 -12.401 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.481 -3.858 -11.248 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.256 -3.058 -13.191 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.832 -3.391 -14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.492 -5.427 -12.076 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.637 -5.290 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.913 -6.347 -13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.566 -4.900 -15.385 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.023 -5.599 -16.914 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.235 -7.234 -15.500 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.149 -6.912 -16.978 1.00 0.00 H new ATOM 899 N LYS A 55 -6.380 -2.245 -9.721 1.00 0.00 N ATOM 900 CA LYS A 55 -7.692 -2.323 -9.078 1.00 0.00 C ATOM 901 C LYS A 55 -8.310 -0.936 -8.908 1.00 0.00 C ATOM 902 O LYS A 55 -9.484 -0.735 -9.214 1.00 0.00 O ATOM 903 CB LYS A 55 -7.586 -3.019 -7.718 1.00 0.00 C ATOM 904 CG LYS A 55 -7.574 -4.536 -7.804 1.00 0.00 C ATOM 905 CD LYS A 55 -6.529 -5.135 -6.878 1.00 0.00 C ATOM 906 CE LYS A 55 -6.781 -6.616 -6.635 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.664 -6.850 -5.455 1.00 0.00 N ATOM 0 H LYS A 55 -5.608 -2.575 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.342 -2.910 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.676 -2.686 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.423 -2.706 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.559 -4.925 -7.544 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.371 -4.842 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.538 -5.000 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.537 -4.603 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.238 -7.056 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.829 -7.125 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.326 -7.681 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.644 -6.015 -4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.638 -7.018 -5.778 1.00 0.00 H new ATOM 921 N MET A 56 -7.516 0.023 -8.426 1.00 0.00 N ATOM 922 CA MET A 56 -8.003 1.391 -8.234 1.00 0.00 C ATOM 923 C MET A 56 -8.269 2.070 -9.580 1.00 0.00 C ATOM 924 O MET A 56 -9.168 2.903 -9.695 1.00 0.00 O ATOM 925 CB MET A 56 -7.011 2.216 -7.407 1.00 0.00 C ATOM 926 CG MET A 56 -5.646 2.387 -8.057 1.00 0.00 C ATOM 927 SD MET A 56 -4.734 3.799 -7.401 1.00 0.00 S ATOM 928 CE MET A 56 -5.760 5.162 -7.945 1.00 0.00 C ATOM 0 H MET A 56 -6.541 -0.120 -8.163 1.00 0.00 H new ATOM 0 HA MET A 56 -8.943 1.335 -7.685 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.439 3.201 -7.224 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.881 1.739 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.060 1.480 -7.907 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.773 2.510 -9.133 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.158 6.069 -8.006 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.175 4.936 -8.927 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.572 5.313 -7.234 1.00 0.00 H new ATOM 938 N GLU A 57 -7.483 1.700 -10.593 1.00 0.00 N ATOM 939 CA GLU A 57 -7.634 2.262 -11.938 1.00 0.00 C ATOM 940 C GLU A 57 -8.912 1.756 -12.608 1.00 0.00 C ATOM 941 O GLU A 57 -9.486 2.438 -13.457 1.00 0.00 O ATOM 942 CB GLU A 57 -6.422 1.909 -12.806 1.00 0.00 C ATOM 943 CG GLU A 57 -5.288 2.917 -12.701 1.00 0.00 C ATOM 944 CD GLU A 57 -5.400 4.062 -13.697 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.522 4.338 -14.177 1.00 0.00 O ATOM 946 OE2 GLU A 57 -4.362 4.691 -13.989 1.00 0.00 O ATOM 0 H GLU A 57 -6.734 1.013 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.701 3.345 -11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.052 0.926 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.739 1.837 -13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.268 3.325 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.340 2.403 -12.856 1.00 0.00 H new ATOM 953 N ASN A 58 -9.356 0.564 -12.212 1.00 0.00 N ATOM 954 CA ASN A 58 -10.565 -0.029 -12.759 1.00 0.00 C ATOM 955 C ASN A 58 -11.754 0.191 -11.819 1.00 0.00 C ATOM 956 O ASN A 58 -12.868 -0.248 -12.111 1.00 0.00 O ATOM 957 CB ASN A 58 -10.349 -1.528 -12.993 1.00 0.00 C ATOM 958 CG ASN A 58 -10.395 -1.900 -14.463 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.172 -2.762 -14.871 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.559 -1.253 -15.269 1.00 0.00 N ATOM 0 H ASN A 58 -8.889 -0.010 -11.509 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.788 0.455 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.385 -1.822 -12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.113 -2.090 -12.455 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.546 -1.465 -16.267 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.931 -0.545 -14.890 1.00 0.00 H new ATOM 967 N ARG A 59 -11.512 0.870 -10.687 1.00 0.00 N ATOM 968 CA ARG A 59 -12.555 1.140 -9.710 1.00 0.00 C ATOM 969 C ARG A 59 -13.073 -0.162 -9.094 1.00 0.00 C ATOM 970 O ARG A 59 -14.281 -0.367 -8.958 1.00 0.00 O ATOM 971 CB ARG A 59 -13.691 1.931 -10.359 1.00 0.00 C ATOM 972 CG ARG A 59 -14.566 2.669 -9.358 1.00 0.00 C ATOM 973 CD ARG A 59 -15.269 3.862 -9.989 1.00 0.00 C ATOM 974 NE ARG A 59 -15.664 4.862 -8.994 1.00 0.00 N ATOM 975 CZ ARG A 59 -15.944 6.137 -9.284 1.00 0.00 C ATOM 976 NH1 ARG A 59 -15.887 6.576 -10.540 1.00 0.00 N ATOM 977 NH2 ARG A 59 -16.287 6.978 -8.313 1.00 0.00 N ATOM 0 H ARG A 59 -10.596 1.240 -10.433 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.132 1.742 -8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.268 2.651 -11.060 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.313 1.249 -10.939 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.309 1.983 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.954 3.009 -8.522 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.609 4.324 -10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.153 3.518 -10.527 1.00 0.00 H new ATOM 0 HE ARG A 59 -15.730 4.567 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.628 5.938 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.103 7.551 -10.750 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.336 6.650 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.501 7.951 -8.533 1.00 0.00 H new ATOM 991 N ASP A 60 -12.138 -1.036 -8.716 1.00 0.00 N ATOM 992 CA ASP A 60 -12.474 -2.319 -8.104 1.00 0.00 C ATOM 993 C ASP A 60 -12.764 -2.147 -6.612 1.00 0.00 C ATOM 994 O ASP A 60 -13.627 -2.827 -6.056 1.00 0.00 O ATOM 995 CB ASP A 60 -11.327 -3.316 -8.302 1.00 0.00 C ATOM 996 CG ASP A 60 -11.657 -4.703 -7.782 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.711 -5.250 -8.169 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.856 -5.244 -6.989 1.00 0.00 O ATOM 0 H ASP A 60 -11.137 -0.875 -8.825 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.370 -2.706 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.085 -3.379 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.437 -2.945 -7.794 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.035 -1.233 -5.972 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.212 -0.969 -4.546 1.00 0.00 C ATOM 1005 C TYR A 61 -13.515 -0.214 -4.287 1.00 0.00 C ATOM 1006 O TYR A 61 -14.392 -0.703 -3.575 1.00 0.00 O ATOM 1007 CB TYR A 61 -11.029 -0.164 -4.001 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.732 -0.944 -3.943 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.449 -1.779 -2.870 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.791 -0.839 -4.960 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.265 -2.489 -2.812 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.605 -1.546 -4.908 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.346 -2.369 -3.833 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.166 -3.073 -3.780 1.00 0.00 O ATOM 0 H TYR A 61 -11.317 -0.664 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.259 -1.928 -4.031 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.884 0.718 -4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -11.274 0.191 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.166 -1.875 -2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.990 -0.195 -5.804 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.060 -3.135 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.884 -1.454 -5.707 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.359 -4.033 -3.745 1.00 0.00 H new ATOM 1024 N ARG A 62 -13.626 0.984 -4.867 1.00 0.00 N ATOM 1025 CA ARG A 62 -14.813 1.827 -4.704 1.00 0.00 C ATOM 1026 C ARG A 62 -15.036 2.211 -3.234 1.00 0.00 C ATOM 1027 O ARG A 62 -16.143 2.601 -2.853 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.062 1.122 -5.256 1.00 0.00 C ATOM 1029 CG ARG A 62 -15.820 0.353 -6.547 1.00 0.00 C ATOM 1030 CD ARG A 62 -16.993 0.483 -7.511 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.924 -0.641 -7.407 1.00 0.00 N ATOM 1032 CZ ARG A 62 -18.948 -0.843 -8.242 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.179 0.002 -9.245 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -19.745 -1.893 -8.075 1.00 0.00 N ATOM 0 H ARG A 62 -12.903 1.394 -5.458 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.641 2.741 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.441 0.434 -4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.840 1.866 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.913 0.723 -7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.653 -0.699 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.525 1.413 -7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.616 0.547 -8.532 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.783 -1.311 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.572 0.811 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -19.963 -0.159 -9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.576 -2.545 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -20.526 -2.047 -8.712 1.00 0.00 H new ATOM 1048 N ASP A 63 -13.982 2.105 -2.416 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.067 2.444 -0.995 1.00 0.00 C ATOM 1050 C ASP A 63 -12.681 2.442 -0.348 1.00 0.00 C ATOM 1051 O ASP A 63 -11.789 1.706 -0.775 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.986 1.458 -0.264 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.308 1.887 1.157 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.375 3.108 1.417 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.494 0.999 2.011 1.00 0.00 O ATOM 0 H ASP A 63 -13.061 1.787 -2.716 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.485 3.447 -0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.915 1.352 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.513 0.476 -0.243 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.511 3.262 0.691 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.237 3.349 1.404 1.00 0.00 C ATOM 1062 C ALA A 64 -11.026 2.129 2.296 1.00 0.00 C ATOM 1063 O ALA A 64 -9.906 1.630 2.421 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.171 4.627 2.230 1.00 0.00 C ATOM 0 H ALA A 64 -13.240 3.875 1.057 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.438 3.372 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.216 4.673 2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.267 5.491 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.983 4.633 2.957 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.109 1.652 2.914 1.00 0.00 N ATOM 1071 CA GLN A 65 -12.039 0.486 3.793 1.00 0.00 C ATOM 1072 C GLN A 65 -11.482 -0.727 3.047 1.00 0.00 C ATOM 1073 O GLN A 65 -10.678 -1.483 3.594 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.425 0.159 4.365 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.655 0.711 5.763 1.00 0.00 C ATOM 1076 CD GLN A 65 -13.856 2.217 5.780 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -14.008 2.850 4.735 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.858 2.799 6.974 1.00 0.00 N ATOM 0 H GLN A 65 -13.041 2.055 2.821 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.365 0.726 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.188 0.558 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.554 -0.923 4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.529 0.228 6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.803 0.456 6.393 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.729 2.237 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.989 3.808 7.049 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.900 -0.899 1.791 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.429 -2.015 0.971 1.00 0.00 C ATOM 1089 C GLU A 66 -9.951 -1.849 0.612 1.00 0.00 C ATOM 1090 O GLU A 66 -9.201 -2.826 0.578 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.269 -2.139 -0.306 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.582 -2.884 -0.105 1.00 0.00 C ATOM 1093 CD GLU A 66 -13.409 -4.393 -0.097 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.520 -4.888 0.629 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -14.163 -5.081 -0.816 1.00 0.00 O ATOM 0 H GLU A 66 -12.562 -0.281 1.321 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.540 -2.928 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.483 -1.141 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.683 -2.653 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.032 -2.570 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.276 -2.607 -0.898 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.536 -0.609 0.346 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.144 -0.326 -0.006 1.00 0.00 C ATOM 1104 C PHE A 67 -7.220 -0.575 1.182 1.00 0.00 C ATOM 1105 O PHE A 67 -6.235 -1.304 1.066 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.992 1.119 -0.487 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.837 1.319 -1.429 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.979 1.062 -2.782 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -5.610 1.766 -0.961 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -5.922 1.246 -3.652 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.549 1.952 -1.826 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.706 1.692 -3.173 1.00 0.00 C ATOM 0 H PHE A 67 -10.141 0.212 0.368 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.862 -1.000 -0.815 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.912 1.427 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.862 1.770 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -7.928 0.713 -3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.483 1.971 0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.046 1.041 -4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.599 2.300 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.878 1.837 -3.851 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.546 0.035 2.325 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.744 -0.122 3.538 1.00 0.00 C ATOM 1124 C ALA A 68 -6.601 -1.594 3.925 1.00 0.00 C ATOM 1125 O ALA A 68 -5.551 -2.014 4.412 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.351 0.671 4.688 1.00 0.00 C ATOM 0 H ALA A 68 -8.359 0.641 2.434 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.748 0.269 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.740 0.542 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.386 1.728 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.361 0.312 4.884 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.662 -2.375 3.696 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.653 -3.802 4.011 1.00 0.00 C ATOM 1134 C ALA A 69 -6.583 -4.538 3.206 1.00 0.00 C ATOM 1135 O ALA A 69 -5.885 -5.404 3.733 1.00 0.00 O ATOM 1136 CB ALA A 69 -9.026 -4.413 3.756 1.00 0.00 C ATOM 0 H ALA A 69 -8.537 -2.040 3.293 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.413 -3.911 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.001 -5.476 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.767 -3.917 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.293 -4.284 2.707 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.458 -4.181 1.929 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.469 -4.800 1.050 1.00 0.00 C ATOM 1144 C ASP A 70 -4.048 -4.375 1.431 1.00 0.00 C ATOM 1145 O ASP A 70 -3.112 -5.175 1.355 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.760 -4.430 -0.408 1.00 0.00 C ATOM 1147 CG ASP A 70 -4.968 -5.269 -1.392 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -5.158 -6.504 -1.408 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -4.158 -4.692 -2.146 1.00 0.00 O ATOM 0 H ASP A 70 -7.030 -3.466 1.480 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.539 -5.882 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.825 -4.554 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.528 -3.377 -0.565 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.891 -3.115 1.843 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.582 -2.592 2.234 1.00 0.00 C ATOM 1156 C VAL A 71 -2.040 -3.316 3.470 1.00 0.00 C ATOM 1157 O VAL A 71 -0.870 -3.702 3.504 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.632 -1.073 2.517 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -1.234 -0.530 2.777 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -3.296 -0.327 1.365 1.00 0.00 C ATOM 0 H VAL A 71 -4.653 -2.440 1.914 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.914 -2.770 1.391 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.233 -0.914 3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.290 0.541 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.802 -1.036 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.607 -0.705 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.319 0.740 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.730 -0.494 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.314 -0.693 1.234 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.895 -3.501 4.481 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.491 -4.184 5.713 1.00 0.00 C ATOM 1172 C ARG A 72 -2.124 -5.648 5.444 1.00 0.00 C ATOM 1173 O ARG A 72 -1.264 -6.211 6.123 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.596 -4.099 6.777 1.00 0.00 C ATOM 1175 CG ARG A 72 -4.882 -4.823 6.405 1.00 0.00 C ATOM 1176 CD ARG A 72 -5.529 -5.473 7.620 1.00 0.00 C ATOM 1177 NE ARG A 72 -6.050 -4.483 8.563 1.00 0.00 N ATOM 1178 CZ ARG A 72 -7.237 -3.880 8.439 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -8.041 -4.170 7.419 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -7.623 -2.986 9.343 1.00 0.00 N ATOM 0 H ARG A 72 -3.866 -3.189 4.471 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.605 -3.675 6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.217 -4.513 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.825 -3.050 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.580 -4.118 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.668 -5.584 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.340 -6.124 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.798 -6.104 8.125 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.471 -4.237 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.754 -4.858 6.723 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.945 -3.704 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.014 -2.761 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.528 -2.525 9.250 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.778 -6.257 4.449 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.517 -7.651 4.092 1.00 0.00 C ATOM 1196 C LEU A 73 -1.099 -7.820 3.544 1.00 0.00 C ATOM 1197 O LEU A 73 -0.389 -8.753 3.922 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.543 -8.135 3.059 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.359 -9.577 2.575 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.233 -10.528 3.379 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.675 -9.682 1.089 1.00 0.00 C ATOM 0 H LEU A 73 -3.492 -5.804 3.878 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.609 -8.255 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.540 -8.039 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.504 -7.472 2.195 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.318 -9.862 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.088 -11.547 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.958 -10.472 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.280 -10.247 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.540 -10.712 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.707 -9.378 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.005 -9.031 0.528 1.00 0.00 H new ATOM 1213 N MET A 74 -0.693 -6.910 2.656 1.00 0.00 N ATOM 1214 CA MET A 74 0.643 -6.955 2.059 1.00 0.00 C ATOM 1215 C MET A 74 1.728 -6.758 3.119 1.00 0.00 C ATOM 1216 O MET A 74 2.771 -7.413 3.076 1.00 0.00 O ATOM 1217 CB MET A 74 0.779 -5.886 0.971 1.00 0.00 C ATOM 1218 CG MET A 74 1.790 -6.241 -0.109 1.00 0.00 C ATOM 1219 SD MET A 74 2.808 -4.835 -0.601 1.00 0.00 S ATOM 1220 CE MET A 74 1.585 -3.785 -1.380 1.00 0.00 C ATOM 0 H MET A 74 -1.270 -6.133 2.335 1.00 0.00 H new ATOM 0 HA MET A 74 0.774 -7.940 1.611 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.194 -5.726 0.507 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.071 -4.943 1.434 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.435 -7.042 0.252 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.263 -6.625 -0.982 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.898 -3.556 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.625 -4.300 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.487 -2.859 -0.813 1.00 0.00 H new ATOM 1230 N PHE A 75 1.475 -5.853 4.068 1.00 0.00 N ATOM 1231 CA PHE A 75 2.431 -5.573 5.141 1.00 0.00 C ATOM 1232 C PHE A 75 2.621 -6.794 6.038 1.00 0.00 C ATOM 1233 O PHE A 75 3.750 -7.157 6.371 1.00 0.00 O ATOM 1234 CB PHE A 75 1.963 -4.379 5.978 1.00 0.00 C ATOM 1235 CG PHE A 75 2.303 -3.047 5.371 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.619 -2.713 5.090 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.306 -2.128 5.082 1.00 0.00 C ATOM 1238 CE1 PHE A 75 3.933 -1.489 4.532 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.615 -0.903 4.525 1.00 0.00 C ATOM 1240 CZ PHE A 75 2.930 -0.583 4.250 1.00 0.00 C ATOM 0 H PHE A 75 0.617 -5.303 4.115 1.00 0.00 H new ATOM 0 HA PHE A 75 3.389 -5.331 4.680 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.883 -4.442 6.113 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.413 -4.442 6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.407 -3.418 5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.276 -2.373 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.962 -1.241 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.829 -0.196 4.305 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.174 0.375 3.815 1.00 0.00 H new ATOM 1250 N SER A 76 1.509 -7.429 6.419 1.00 0.00 N ATOM 1251 CA SER A 76 1.556 -8.618 7.269 1.00 0.00 C ATOM 1252 C SER A 76 2.195 -9.786 6.521 1.00 0.00 C ATOM 1253 O SER A 76 2.935 -10.581 7.105 1.00 0.00 O ATOM 1254 CB SER A 76 0.148 -9.005 7.735 1.00 0.00 C ATOM 1255 OG SER A 76 0.176 -10.178 8.533 1.00 0.00 O ATOM 0 H SER A 76 0.568 -7.139 6.152 1.00 0.00 H new ATOM 0 HA SER A 76 2.163 -8.385 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.288 -8.184 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.493 -9.167 6.868 1.00 0.00 H new ATOM 0 HG SER A 76 -0.735 -10.402 8.818 1.00 0.00 H new ATOM 1261 N ASN A 77 1.904 -9.876 5.222 1.00 0.00 N ATOM 1262 CA ASN A 77 2.443 -10.934 4.379 1.00 0.00 C ATOM 1263 C ASN A 77 3.969 -10.870 4.327 1.00 0.00 C ATOM 1264 O ASN A 77 4.643 -11.885 4.496 1.00 0.00 O ATOM 1265 CB ASN A 77 1.866 -10.815 2.967 1.00 0.00 C ATOM 1266 CG ASN A 77 2.249 -11.980 2.077 1.00 0.00 C ATOM 1267 OD1 ASN A 77 2.642 -13.041 2.560 1.00 0.00 O ATOM 1268 ND2 ASN A 77 2.130 -11.790 0.767 1.00 0.00 N ATOM 0 H ASN A 77 1.293 -9.222 4.732 1.00 0.00 H new ATOM 0 HA ASN A 77 2.158 -11.895 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.780 -10.751 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.215 -9.887 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.369 -12.541 0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.800 -10.893 0.410 1.00 0.00 H new ATOM 1275 N CYS A 78 4.506 -9.671 4.096 1.00 0.00 N ATOM 1276 CA CYS A 78 5.955 -9.475 4.026 1.00 0.00 C ATOM 1277 C CYS A 78 6.623 -9.828 5.355 1.00 0.00 C ATOM 1278 O CYS A 78 7.721 -10.387 5.374 1.00 0.00 O ATOM 1279 CB CYS A 78 6.284 -8.027 3.648 1.00 0.00 C ATOM 1280 SG CYS A 78 7.674 -7.861 2.504 1.00 0.00 S ATOM 0 H CYS A 78 3.960 -8.821 3.954 1.00 0.00 H new ATOM 0 HA CYS A 78 6.343 -10.141 3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.402 -7.570 3.200 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.506 -7.467 4.556 1.00 0.00 H new ATOM 0 HG CYS A 78 8.145 -6.651 2.567 1.00 0.00 H new ATOM 1286 N TYR A 79 5.956 -9.498 6.464 1.00 0.00 N ATOM 1287 CA TYR A 79 6.490 -9.781 7.794 1.00 0.00 C ATOM 1288 C TYR A 79 6.716 -11.281 7.990 1.00 0.00 C ATOM 1289 O TYR A 79 7.806 -11.701 8.377 1.00 0.00 O ATOM 1290 CB TYR A 79 5.550 -9.244 8.879 1.00 0.00 C ATOM 1291 CG TYR A 79 6.194 -8.216 9.784 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.164 -6.863 9.465 1.00 0.00 C ATOM 1293 CD2 TYR A 79 6.831 -8.598 10.959 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.751 -5.922 10.291 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.419 -7.662 11.789 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.376 -6.326 11.451 1.00 0.00 C ATOM 1297 OH TYR A 79 7.959 -5.392 12.276 1.00 0.00 O ATOM 0 H TYR A 79 5.047 -9.035 6.465 1.00 0.00 H new ATOM 0 HA TYR A 79 7.452 -9.276 7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.676 -8.800 8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.194 -10.077 9.485 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.674 -6.542 8.558 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.867 -9.643 11.228 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.720 -4.875 10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.910 -7.976 12.698 1.00 0.00 H new ATOM 0 HH TYR A 79 8.355 -5.842 13.051 1.00 0.00 H new ATOM 1307 N LYS A 80 5.685 -12.084 7.719 1.00 0.00 N ATOM 1308 CA LYS A 80 5.787 -13.539 7.865 1.00 0.00 C ATOM 1309 C LYS A 80 6.615 -14.162 6.735 1.00 0.00 C ATOM 1310 O LYS A 80 7.229 -15.214 6.919 1.00 0.00 O ATOM 1311 CB LYS A 80 4.392 -14.181 7.917 1.00 0.00 C ATOM 1312 CG LYS A 80 3.539 -13.937 6.678 1.00 0.00 C ATOM 1313 CD LYS A 80 2.065 -13.807 7.032 1.00 0.00 C ATOM 1314 CE LYS A 80 1.170 -14.128 5.844 1.00 0.00 C ATOM 1315 NZ LYS A 80 -0.123 -13.387 5.901 1.00 0.00 N ATOM 0 H LYS A 80 4.774 -11.755 7.399 1.00 0.00 H new ATOM 0 HA LYS A 80 6.300 -13.736 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.505 -15.256 8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.862 -13.798 8.789 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.875 -13.029 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.674 -14.759 5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.829 -14.478 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.862 -12.793 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.691 -13.877 4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.973 -15.200 5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.702 -13.635 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.633 -13.645 6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.063 -12.364 5.899 1.00 0.00 H new ATOM 1329 N TYR A 81 6.622 -13.511 5.569 1.00 0.00 N ATOM 1330 CA TYR A 81 7.368 -14.000 4.407 1.00 0.00 C ATOM 1331 C TYR A 81 8.861 -14.168 4.721 1.00 0.00 C ATOM 1332 O TYR A 81 9.465 -15.176 4.351 1.00 0.00 O ATOM 1333 CB TYR A 81 7.175 -13.041 3.225 1.00 0.00 C ATOM 1334 CG TYR A 81 7.839 -13.490 1.940 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.578 -14.741 1.393 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.724 -12.654 1.271 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.183 -15.145 0.218 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.332 -13.051 0.096 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.059 -14.297 -0.427 1.00 0.00 C ATOM 1340 OH TYR A 81 9.664 -14.696 -1.597 1.00 0.00 O ATOM 0 H TYR A 81 6.117 -12.640 5.404 1.00 0.00 H new ATOM 0 HA TYR A 81 6.977 -14.983 4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.107 -12.917 3.044 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.567 -12.062 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.892 -15.408 1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.940 -11.677 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.971 -16.121 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.018 -12.388 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 81 10.250 -13.981 -1.922 1.00 0.00 H new ATOM 1350 N ASN A 82 9.451 -13.180 5.403 1.00 0.00 N ATOM 1351 CA ASN A 82 10.873 -13.230 5.763 1.00 0.00 C ATOM 1352 C ASN A 82 11.087 -12.818 7.222 1.00 0.00 C ATOM 1353 O ASN A 82 10.385 -11.945 7.734 1.00 0.00 O ATOM 1354 CB ASN A 82 11.691 -12.319 4.840 1.00 0.00 C ATOM 1355 CG ASN A 82 12.015 -12.973 3.509 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.430 -12.633 2.481 1.00 0.00 O ATOM 1357 ND2 ASN A 82 12.954 -13.915 3.519 1.00 0.00 N ATOM 0 H ASN A 82 8.968 -12.338 5.716 1.00 0.00 H new ATOM 0 HA ASN A 82 11.212 -14.259 5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.137 -11.397 4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.619 -12.042 5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.214 -14.386 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.414 -14.167 4.394 1.00 0.00 H new ATOM 1364 N PRO A 83 12.067 -13.439 7.913 1.00 0.00 N ATOM 1365 CA PRO A 83 12.370 -13.127 9.318 1.00 0.00 C ATOM 1366 C PRO A 83 12.870 -11.694 9.501 1.00 0.00 C ATOM 1367 O PRO A 83 13.493 -11.128 8.599 1.00 0.00 O ATOM 1368 CB PRO A 83 13.470 -14.131 9.683 1.00 0.00 C ATOM 1369 CG PRO A 83 14.077 -14.523 8.380 1.00 0.00 C ATOM 1370 CD PRO A 83 12.956 -14.487 7.381 1.00 0.00 C ATOM 0 HA PRO A 83 11.484 -13.201 9.949 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.211 -13.683 10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.059 -14.996 10.204 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.875 -13.836 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.518 -15.518 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.315 -14.242 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.448 -15.449 7.310 1.00 0.00 H new ATOM 1378 N PRO A 84 12.609 -11.085 10.676 1.00 0.00 N ATOM 1379 CA PRO A 84 13.038 -9.715 10.970 1.00 0.00 C ATOM 1380 C PRO A 84 14.552 -9.612 11.114 1.00 0.00 C ATOM 1381 O PRO A 84 15.129 -10.111 12.082 1.00 0.00 O ATOM 1382 CB PRO A 84 12.351 -9.375 12.297 1.00 0.00 C ATOM 1383 CG PRO A 84 11.376 -10.480 12.549 1.00 0.00 C ATOM 1384 CD PRO A 84 11.887 -11.681 11.807 1.00 0.00 C ATOM 0 HA PRO A 84 12.771 -9.031 10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.078 -9.304 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.843 -8.412 12.239 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.295 -10.689 13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.380 -10.205 12.202 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.543 -12.291 12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.074 -12.326 11.473 1.00 0.00 H new ATOM 1392 N ASP A 85 15.181 -8.964 10.139 1.00 0.00 N ATOM 1393 CA ASP A 85 16.635 -8.782 10.125 1.00 0.00 C ATOM 1394 C ASP A 85 17.081 -8.097 8.833 1.00 0.00 C ATOM 1395 O ASP A 85 17.921 -7.197 8.857 1.00 0.00 O ATOM 1396 CB ASP A 85 17.356 -10.131 10.269 1.00 0.00 C ATOM 1397 CG ASP A 85 18.401 -10.118 11.371 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.027 -9.908 12.544 1.00 0.00 O ATOM 1399 OD2 ASP A 85 19.593 -10.321 11.061 1.00 0.00 O ATOM 0 H ASP A 85 14.703 -8.551 9.338 1.00 0.00 H new ATOM 0 HA ASP A 85 16.899 -8.149 10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.623 -10.910 10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.833 -10.387 9.323 1.00 0.00 H new ATOM 1404 N HIS A 86 16.513 -8.538 7.707 1.00 0.00 N ATOM 1405 CA HIS A 86 16.849 -7.979 6.397 1.00 0.00 C ATOM 1406 C HIS A 86 16.232 -6.593 6.208 1.00 0.00 C ATOM 1407 O HIS A 86 15.481 -6.110 7.060 1.00 0.00 O ATOM 1408 CB HIS A 86 16.364 -8.901 5.272 1.00 0.00 C ATOM 1409 CG HIS A 86 16.868 -10.311 5.357 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.766 -10.750 6.310 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.588 -11.388 4.587 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.013 -12.033 6.121 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.310 -12.444 5.082 1.00 0.00 N ATOM 0 H HIS A 86 15.817 -9.283 7.678 1.00 0.00 H new ATOM 0 HA HIS A 86 17.935 -7.891 6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.274 -8.918 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.670 -8.477 4.316 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.919 -11.412 3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.677 -12.643 6.715 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.305 -13.393 4.708 1.00 0.00 H new ATOM 1422 N ASP A 87 16.549 -5.966 5.075 1.00 0.00 N ATOM 1423 CA ASP A 87 16.028 -4.638 4.754 1.00 0.00 C ATOM 1424 C ASP A 87 14.531 -4.682 4.449 1.00 0.00 C ATOM 1425 O ASP A 87 13.807 -3.733 4.746 1.00 0.00 O ATOM 1426 CB ASP A 87 16.780 -4.038 3.562 1.00 0.00 C ATOM 1427 CG ASP A 87 16.857 -2.524 3.628 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.378 -1.996 4.634 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.395 -1.865 2.672 1.00 0.00 O ATOM 0 H ASP A 87 17.165 -6.358 4.363 1.00 0.00 H new ATOM 0 HA ASP A 87 16.181 -4.008 5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.789 -4.449 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.284 -4.334 2.637 1.00 0.00 H new ATOM 1434 N VAL A 88 14.073 -5.785 3.853 1.00 0.00 N ATOM 1435 CA VAL A 88 12.659 -5.944 3.508 1.00 0.00 C ATOM 1436 C VAL A 88 11.764 -5.770 4.736 1.00 0.00 C ATOM 1437 O VAL A 88 10.731 -5.104 4.671 1.00 0.00 O ATOM 1438 CB VAL A 88 12.375 -7.323 2.870 1.00 0.00 C ATOM 1439 CG1 VAL A 88 10.943 -7.392 2.356 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.364 -7.616 1.748 1.00 0.00 C ATOM 0 H VAL A 88 14.660 -6.580 3.600 1.00 0.00 H new ATOM 0 HA VAL A 88 12.430 -5.165 2.780 1.00 0.00 H new ATOM 0 HB VAL A 88 12.500 -8.085 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.763 -8.370 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.251 -7.237 3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.788 -6.617 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.144 -8.592 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.278 -6.849 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.378 -7.617 2.148 1.00 0.00 H new ATOM 1450 N VAL A 89 12.171 -6.371 5.855 1.00 0.00 N ATOM 1451 CA VAL A 89 11.408 -6.280 7.097 1.00 0.00 C ATOM 1452 C VAL A 89 11.359 -4.836 7.605 1.00 0.00 C ATOM 1453 O VAL A 89 10.293 -4.334 7.967 1.00 0.00 O ATOM 1454 CB VAL A 89 12.003 -7.189 8.195 1.00 0.00 C ATOM 1455 CG1 VAL A 89 11.104 -7.209 9.423 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.225 -8.602 7.663 1.00 0.00 C ATOM 0 H VAL A 89 13.024 -6.925 5.925 1.00 0.00 H new ATOM 0 HA VAL A 89 10.396 -6.618 6.875 1.00 0.00 H new ATOM 0 HB VAL A 89 12.970 -6.781 8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.542 -7.855 10.184 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.006 -6.198 9.818 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.120 -7.588 9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.645 -9.226 8.452 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.274 -9.021 7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.916 -8.569 6.820 1.00 0.00 H new ATOM 1466 N ALA A 90 12.518 -4.172 7.617 1.00 0.00 N ATOM 1467 CA ALA A 90 12.606 -2.784 8.067 1.00 0.00 C ATOM 1468 C ALA A 90 11.830 -1.858 7.133 1.00 0.00 C ATOM 1469 O ALA A 90 11.128 -0.953 7.586 1.00 0.00 O ATOM 1470 CB ALA A 90 14.062 -2.343 8.160 1.00 0.00 C ATOM 0 H ALA A 90 13.407 -4.575 7.320 1.00 0.00 H new ATOM 0 HA ALA A 90 12.159 -2.722 9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.108 -1.307 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.590 -2.979 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.531 -2.427 7.180 1.00 0.00 H new ATOM 1476 N MET A 91 11.958 -2.098 5.826 1.00 0.00 N ATOM 1477 CA MET A 91 11.266 -1.294 4.820 1.00 0.00 C ATOM 1478 C MET A 91 9.749 -1.384 5.004 1.00 0.00 C ATOM 1479 O MET A 91 9.049 -0.372 4.935 1.00 0.00 O ATOM 1480 CB MET A 91 11.654 -1.752 3.408 1.00 0.00 C ATOM 1481 CG MET A 91 11.876 -0.606 2.433 1.00 0.00 C ATOM 1482 SD MET A 91 13.556 0.049 2.499 1.00 0.00 S ATOM 1483 CE MET A 91 13.904 0.295 0.757 1.00 0.00 C ATOM 0 H MET A 91 12.536 -2.845 5.440 1.00 0.00 H new ATOM 0 HA MET A 91 11.569 -0.255 4.948 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.564 -2.349 3.467 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.871 -2.402 3.018 1.00 0.00 H new ATOM 0 HG2 MET A 91 11.664 -0.950 1.421 1.00 0.00 H new ATOM 0 HG3 MET A 91 11.169 0.194 2.653 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.496 1.201 0.629 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.460 -0.560 0.373 1.00 0.00 H new ATOM 0 HE3 MET A 91 12.967 0.394 0.209 1.00 0.00 H new ATOM 1493 N ALA A 92 9.252 -2.601 5.246 1.00 0.00 N ATOM 1494 CA ALA A 92 7.821 -2.824 5.449 1.00 0.00 C ATOM 1495 C ALA A 92 7.313 -2.050 6.664 1.00 0.00 C ATOM 1496 O ALA A 92 6.299 -1.357 6.586 1.00 0.00 O ATOM 1497 CB ALA A 92 7.526 -4.312 5.601 1.00 0.00 C ATOM 0 H ALA A 92 9.821 -3.445 5.306 1.00 0.00 H new ATOM 0 HA ALA A 92 7.294 -2.455 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.456 -4.457 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.841 -4.839 4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.070 -4.705 6.460 1.00 0.00 H new ATOM 1503 N ARG A 93 8.027 -2.168 7.786 1.00 0.00 N ATOM 1504 CA ARG A 93 7.645 -1.471 9.015 1.00 0.00 C ATOM 1505 C ARG A 93 7.681 0.046 8.823 1.00 0.00 C ATOM 1506 O ARG A 93 6.809 0.759 9.322 1.00 0.00 O ATOM 1507 CB ARG A 93 8.568 -1.871 10.170 1.00 0.00 C ATOM 1508 CG ARG A 93 8.125 -1.329 11.521 1.00 0.00 C ATOM 1509 CD ARG A 93 9.275 -1.291 12.518 1.00 0.00 C ATOM 1510 NE ARG A 93 8.855 -1.700 13.858 1.00 0.00 N ATOM 1511 CZ ARG A 93 8.030 -0.990 14.635 1.00 0.00 C ATOM 1512 NH1 ARG A 93 7.538 0.175 14.216 1.00 0.00 N ATOM 1513 NH2 ARG A 93 7.699 -1.446 15.837 1.00 0.00 N ATOM 0 H ARG A 93 8.869 -2.737 7.868 1.00 0.00 H new ATOM 0 HA ARG A 93 6.624 -1.764 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.619 -2.959 10.223 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.576 -1.515 9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.720 -0.325 11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.321 -1.950 11.916 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.075 -1.946 12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.685 -0.282 12.559 1.00 0.00 H new ATOM 0 HE ARG A 93 9.214 -2.582 14.223 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.790 0.533 13.295 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.909 0.709 14.816 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.074 -2.336 16.166 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.070 -0.906 16.432 1.00 0.00 H new ATOM 1527 N LYS A 94 8.693 0.532 8.100 1.00 0.00 N ATOM 1528 CA LYS A 94 8.838 1.965 7.846 1.00 0.00 C ATOM 1529 C LYS A 94 7.632 2.515 7.083 1.00 0.00 C ATOM 1530 O LYS A 94 7.131 3.594 7.401 1.00 0.00 O ATOM 1531 CB LYS A 94 10.123 2.240 7.060 1.00 0.00 C ATOM 1532 CG LYS A 94 11.349 2.446 7.937 1.00 0.00 C ATOM 1533 CD LYS A 94 12.391 3.309 7.242 1.00 0.00 C ATOM 1534 CE LYS A 94 13.360 3.928 8.237 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.737 4.041 7.679 1.00 0.00 N ATOM 0 H LYS A 94 9.422 -0.046 7.681 1.00 0.00 H new ATOM 0 HA LYS A 94 8.894 2.471 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.309 1.406 6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.977 3.126 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.052 2.916 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.785 1.479 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.944 2.704 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.893 4.098 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.003 4.917 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 94 13.385 3.323 9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.365 4.468 8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.089 3.095 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.719 4.639 6.829 1.00 0.00 H new ATOM 1549 N LEU A 95 7.165 1.766 6.083 1.00 0.00 N ATOM 1550 CA LEU A 95 6.011 2.183 5.288 1.00 0.00 C ATOM 1551 C LEU A 95 4.718 2.033 6.092 1.00 0.00 C ATOM 1552 O LEU A 95 3.805 2.853 5.972 1.00 0.00 O ATOM 1553 CB LEU A 95 5.923 1.368 3.992 1.00 0.00 C ATOM 1554 CG LEU A 95 5.781 2.194 2.709 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.005 1.321 1.484 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.413 2.861 2.646 1.00 0.00 C ATOM 0 H LEU A 95 7.567 0.871 5.806 1.00 0.00 H new ATOM 0 HA LEU A 95 6.141 3.234 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.817 0.749 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.072 0.691 4.065 1.00 0.00 H new ATOM 0 HG LEU A 95 6.542 2.974 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.900 1.925 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.007 0.894 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.268 0.518 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.334 3.442 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.635 2.098 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.290 3.521 3.505 1.00 0.00 H new ATOM 1568 N GLN A 96 4.650 0.983 6.914 1.00 0.00 N ATOM 1569 CA GLN A 96 3.474 0.725 7.744 1.00 0.00 C ATOM 1570 C GLN A 96 3.264 1.845 8.762 1.00 0.00 C ATOM 1571 O GLN A 96 2.135 2.284 8.983 1.00 0.00 O ATOM 1572 CB GLN A 96 3.616 -0.616 8.474 1.00 0.00 C ATOM 1573 CG GLN A 96 2.379 -1.496 8.390 1.00 0.00 C ATOM 1574 CD GLN A 96 1.240 -0.996 9.259 1.00 0.00 C ATOM 1575 OE1 GLN A 96 1.430 -0.692 10.436 1.00 0.00 O ATOM 1576 NE2 GLN A 96 0.046 -0.910 8.682 1.00 0.00 N ATOM 0 H GLN A 96 5.398 0.297 7.022 1.00 0.00 H new ATOM 0 HA GLN A 96 2.605 0.685 7.087 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.465 -1.158 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.844 -0.425 9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.044 -1.546 7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.640 -2.511 8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.067 -1.172 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.757 -0.582 9.218 1.00 0.00 H new ATOM 1585 N ASP A 97 4.357 2.300 9.382 1.00 0.00 N ATOM 1586 CA ASP A 97 4.288 3.367 10.381 1.00 0.00 C ATOM 1587 C ASP A 97 3.657 4.630 9.798 1.00 0.00 C ATOM 1588 O ASP A 97 2.842 5.282 10.453 1.00 0.00 O ATOM 1589 CB ASP A 97 5.683 3.689 10.927 1.00 0.00 C ATOM 1590 CG ASP A 97 5.688 3.875 12.432 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.003 4.800 12.920 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.376 3.094 13.123 1.00 0.00 O ATOM 0 H ASP A 97 5.298 1.946 9.209 1.00 0.00 H new ATOM 0 HA ASP A 97 3.660 3.012 11.198 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.368 2.884 10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.056 4.596 10.451 1.00 0.00 H new ATOM 1597 N VAL A 98 4.032 4.968 8.564 1.00 0.00 N ATOM 1598 CA VAL A 98 3.491 6.151 7.901 1.00 0.00 C ATOM 1599 C VAL A 98 2.023 5.945 7.538 1.00 0.00 C ATOM 1600 O VAL A 98 1.194 6.830 7.752 1.00 0.00 O ATOM 1601 CB VAL A 98 4.280 6.518 6.624 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.786 7.842 6.055 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.776 6.579 6.908 1.00 0.00 C ATOM 0 H VAL A 98 4.705 4.441 8.007 1.00 0.00 H new ATOM 0 HA VAL A 98 3.585 6.973 8.610 1.00 0.00 H new ATOM 0 HB VAL A 98 4.110 5.738 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.352 8.086 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.728 7.759 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.924 8.630 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.310 6.839 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.971 7.334 7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.119 5.607 7.264 1.00 0.00 H new ATOM 1613 N PHE A 99 1.709 4.770 6.989 1.00 0.00 N ATOM 1614 CA PHE A 99 0.340 4.449 6.598 1.00 0.00 C ATOM 1615 C PHE A 99 -0.595 4.473 7.806 1.00 0.00 C ATOM 1616 O PHE A 99 -1.697 5.011 7.726 1.00 0.00 O ATOM 1617 CB PHE A 99 0.280 3.080 5.913 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.721 3.019 4.791 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -2.058 2.760 5.051 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -0.324 3.225 3.479 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.980 2.709 4.022 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -1.241 3.174 2.447 1.00 0.00 C ATOM 1623 CZ PHE A 99 -2.571 2.916 2.719 1.00 0.00 C ATOM 0 H PHE A 99 2.385 4.028 6.806 1.00 0.00 H new ATOM 0 HA PHE A 99 0.008 5.210 5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.268 2.833 5.523 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.031 2.321 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.383 2.596 6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.714 3.428 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.019 2.507 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.919 3.336 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.290 2.876 1.914 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.151 3.893 8.924 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.960 3.858 10.144 1.00 0.00 C ATOM 1635 C GLU A 100 -1.208 5.266 10.683 1.00 0.00 C ATOM 1636 O GLU A 100 -2.327 5.597 11.080 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.279 3.005 11.221 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.567 1.517 11.101 1.00 0.00 C ATOM 1639 CD GLU A 100 -2.027 1.181 11.337 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -2.477 1.270 12.499 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -2.721 0.832 10.359 1.00 0.00 O ATOM 0 H GLU A 100 0.760 3.443 9.009 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.920 3.410 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.798 3.162 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.603 3.350 12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.276 1.174 10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.047 0.973 11.819 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.161 6.094 10.694 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.274 7.467 11.186 1.00 0.00 C ATOM 1650 C PHE A 101 -1.172 8.307 10.277 1.00 0.00 C ATOM 1651 O PHE A 101 -1.950 9.133 10.756 1.00 0.00 O ATOM 1652 CB PHE A 101 1.111 8.116 11.291 1.00 0.00 C ATOM 1653 CG PHE A 101 1.489 8.503 12.694 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.874 9.575 13.322 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.460 7.794 13.384 1.00 0.00 C ATOM 1656 CE1 PHE A 101 1.220 9.932 14.612 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.810 8.147 14.674 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.189 9.216 15.289 1.00 0.00 C ATOM 0 H PHE A 101 0.771 5.838 10.369 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.726 7.428 12.177 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.858 7.425 10.900 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.136 9.004 10.659 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.116 10.138 12.798 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.949 6.956 12.908 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.734 10.769 15.090 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.569 7.587 15.200 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.460 9.492 16.297 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.064 8.088 8.965 1.00 0.00 N ATOM 1669 CA ARG A 102 -1.872 8.825 7.994 1.00 0.00 C ATOM 1670 C ARG A 102 -3.298 8.275 7.933 1.00 0.00 C ATOM 1671 O ARG A 102 -4.249 9.028 7.722 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.227 8.772 6.603 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.081 9.756 6.421 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.585 11.188 6.313 1.00 0.00 C ATOM 1675 NE ARG A 102 0.496 12.165 6.436 1.00 0.00 N ATOM 1676 CZ ARG A 102 0.390 13.448 6.078 1.00 0.00 C ATOM 1677 NH1 ARG A 102 -0.748 13.920 5.572 1.00 0.00 N ATOM 1678 NH2 ARG A 102 1.427 14.264 6.228 1.00 0.00 N ATOM 0 H ARG A 102 -0.426 7.408 8.552 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.919 9.864 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.859 7.762 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.990 8.973 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.607 9.674 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.481 9.499 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.087 11.323 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.327 11.370 7.091 1.00 0.00 H new ATOM 0 HE ARG A 102 1.386 11.847 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.550 13.300 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.818 14.901 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.302 13.911 6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.349 15.244 5.955 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.439 6.960 8.127 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.751 6.309 8.103 1.00 0.00 C ATOM 1694 C TYR A 103 -5.669 6.870 9.191 1.00 0.00 C ATOM 1695 O TYR A 103 -6.889 6.848 9.046 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.602 4.794 8.280 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.897 4.024 8.108 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.518 3.936 6.868 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.495 3.381 9.187 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.696 3.232 6.707 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.674 2.675 9.033 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.269 2.603 7.791 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.441 1.898 7.633 1.00 0.00 O ATOM 0 H TYR A 103 -2.660 6.326 8.302 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.203 6.513 7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.873 4.424 7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.200 4.592 9.273 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.072 4.426 6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.031 3.434 10.161 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -8.166 3.175 5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.127 2.183 9.881 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.711 1.515 8.494 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.078 7.373 10.278 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.854 7.942 11.379 1.00 0.00 C ATOM 1715 C ALA A 104 -6.363 9.344 11.037 1.00 0.00 C ATOM 1716 O ALA A 104 -7.424 9.756 11.507 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.022 7.980 12.654 1.00 0.00 C ATOM 0 H ALA A 104 -4.068 7.397 10.418 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.720 7.300 11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.615 8.406 13.463 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.719 6.968 12.921 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.136 8.593 12.492 1.00 0.00 H new ATOM 1723 N LYS A 105 -5.601 10.074 10.218 1.00 0.00 N ATOM 1724 CA LYS A 105 -5.978 11.430 9.817 1.00 0.00 C ATOM 1725 C LYS A 105 -6.744 11.447 8.484 1.00 0.00 C ATOM 1726 O LYS A 105 -7.184 12.506 8.034 1.00 0.00 O ATOM 1727 CB LYS A 105 -4.729 12.316 9.718 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.367 13.008 11.025 1.00 0.00 C ATOM 1729 CD LYS A 105 -2.869 13.248 11.141 1.00 0.00 C ATOM 1730 CE LYS A 105 -2.537 14.116 12.346 1.00 0.00 C ATOM 1731 NZ LYS A 105 -1.068 14.207 12.588 1.00 0.00 N ATOM 0 H LYS A 105 -4.720 9.748 9.820 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.646 11.824 10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.886 11.706 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.890 13.072 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -4.894 13.960 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.704 12.399 11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.351 12.292 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.505 13.729 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -2.941 15.117 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.025 13.708 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.889 14.808 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.685 13.256 12.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.604 14.621 11.755 1.00 0.00 H new ATOM 1745 N MET A 106 -6.902 10.277 7.854 1.00 0.00 N ATOM 1746 CA MET A 106 -7.614 10.181 6.578 1.00 0.00 C ATOM 1747 C MET A 106 -9.129 10.345 6.759 1.00 0.00 C ATOM 1748 O MET A 106 -9.750 11.164 6.079 1.00 0.00 O ATOM 1749 CB MET A 106 -7.312 8.844 5.892 1.00 0.00 C ATOM 1750 CG MET A 106 -6.964 8.983 4.419 1.00 0.00 C ATOM 1751 SD MET A 106 -8.359 8.617 3.335 1.00 0.00 S ATOM 1752 CE MET A 106 -8.652 6.892 3.721 1.00 0.00 C ATOM 0 H MET A 106 -6.547 9.388 8.207 1.00 0.00 H new ATOM 0 HA MET A 106 -7.260 10.996 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 106 -6.484 8.359 6.409 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.178 8.189 5.992 1.00 0.00 H new ATOM 0 HG2 MET A 106 -6.616 9.998 4.226 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.138 8.313 4.180 1.00 0.00 H new ATOM 0 HE1 MET A 106 -8.606 6.301 2.806 1.00 0.00 H new ATOM 0 HE2 MET A 106 -7.891 6.541 4.418 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.637 6.783 4.174 1.00 0.00 H new ATOM 1762 N PRO A 107 -9.749 9.565 7.675 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.196 9.634 7.929 1.00 0.00 C ATOM 1764 C PRO A 107 -11.625 11.002 8.455 1.00 0.00 C ATOM 1765 O PRO A 107 -11.199 11.419 9.535 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.436 8.553 8.993 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.235 7.674 8.937 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.097 8.558 8.527 1.00 0.00 C ATOM 0 HA PRO A 107 -11.773 9.481 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.555 8.994 9.983 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.346 7.990 8.784 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.042 7.214 9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.377 6.864 8.222 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.609 9.014 9.389 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.332 8.004 7.983 1.00 0.00 H new ATOM 1776 N ASP A 108 -12.468 11.696 7.684 1.00 0.00 N ATOM 1777 CA ASP A 108 -12.957 13.022 8.065 1.00 0.00 C ATOM 1778 C ASP A 108 -11.793 14.007 8.232 1.00 0.00 C ATOM 1779 O ASP A 108 -10.690 13.762 7.738 1.00 0.00 O ATOM 1780 CB ASP A 108 -13.780 12.934 9.360 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.025 13.801 9.321 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.908 15.021 9.570 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.116 13.262 9.041 1.00 0.00 O ATOM 0 H ASP A 108 -12.826 11.359 6.790 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.600 13.393 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.069 11.897 9.533 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.158 13.236 10.203 1.00 0.00 H new