USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= -0.0917 USER MOD Set 2.2: A 93 MET CE :methyl -165:sc= -0.106 (180deg=-0.437) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0108 K(o=-0.011,f=-3.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0712) USER MOD Single : A 81 GLN : amide:sc= -2.54 K(o=-2.5,f=-3.4!) USER MOD Single : A 90 MET CE :methyl 169:sc= -3.04 (180deg=-3.58!) USER MOD Single : A 91 THR OG1 : rot -60:sc= 0.0356 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -88:sc= 0.168 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.9!) USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= -0.0882 (180deg=-0.488) USER MOD Single : A 119 SER OG : rot 90:sc= -1.04 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 9:sc= 1.21 USER MOD Single : A 130 SER OG : rot 24:sc= 0.218 USER MOD Single : A 131 SER OG : rot 146:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -0.773 -0.348 0.921 1.00 0.00 N ATOM 2 CA GLY A 56 0.390 -0.211 0.063 1.00 0.00 C ATOM 3 C GLY A 56 0.790 1.236 -0.145 1.00 0.00 C ATOM 4 O GLY A 56 1.719 1.728 0.495 1.00 0.00 O ATOM 0 HA2 GLY A 56 1.226 -0.757 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.181 -0.669 -0.904 1.00 0.00 H new ATOM 8 N SER A 57 0.088 1.920 -1.043 1.00 0.00 N ATOM 9 CA SER A 57 0.379 3.318 -1.338 1.00 0.00 C ATOM 10 C SER A 57 -0.419 4.243 -0.424 1.00 0.00 C ATOM 11 O SER A 57 0.151 5.039 0.323 1.00 0.00 O ATOM 12 CB SER A 57 0.061 3.630 -2.801 1.00 0.00 C ATOM 13 OG SER A 57 -1.261 3.240 -3.130 1.00 0.00 O ATOM 0 H SER A 57 -0.687 1.528 -1.579 1.00 0.00 H new ATOM 0 HA SER A 57 1.441 3.487 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.185 4.697 -2.984 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.768 3.112 -3.449 1.00 0.00 H new ATOM 0 HG SER A 57 -1.440 3.452 -4.070 1.00 0.00 H new ATOM 19 N SER A 58 -1.742 4.132 -0.489 1.00 0.00 N ATOM 20 CA SER A 58 -2.620 4.960 0.329 1.00 0.00 C ATOM 21 C SER A 58 -2.373 4.713 1.814 1.00 0.00 C ATOM 22 O SER A 58 -2.506 5.618 2.636 1.00 0.00 O ATOM 23 CB SER A 58 -4.085 4.677 -0.010 1.00 0.00 C ATOM 24 OG SER A 58 -4.919 5.746 0.400 1.00 0.00 O ATOM 0 H SER A 58 -2.229 3.477 -1.100 1.00 0.00 H new ATOM 0 HA SER A 58 -2.399 6.005 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.189 4.521 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.403 3.756 0.478 1.00 0.00 H new ATOM 0 HG SER A 58 -5.850 5.541 0.171 1.00 0.00 H new ATOM 30 N GLY A 59 -2.011 3.478 2.149 1.00 0.00 N ATOM 31 CA GLY A 59 -1.751 3.132 3.534 1.00 0.00 C ATOM 32 C GLY A 59 -2.206 1.727 3.876 1.00 0.00 C ATOM 33 O GLY A 59 -2.496 0.927 2.986 1.00 0.00 O ATOM 0 H GLY A 59 -1.893 2.712 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.683 3.224 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.259 3.844 4.185 1.00 0.00 H new ATOM 37 N SER A 60 -2.266 1.424 5.169 1.00 0.00 N ATOM 38 CA SER A 60 -2.683 0.104 5.626 1.00 0.00 C ATOM 39 C SER A 60 -4.037 0.174 6.326 1.00 0.00 C ATOM 40 O SER A 60 -5.008 -0.442 5.887 1.00 0.00 O ATOM 41 CB SER A 60 -1.636 -0.486 6.573 1.00 0.00 C ATOM 42 OG SER A 60 -1.347 0.409 7.634 1.00 0.00 O ATOM 0 H SER A 60 -2.031 2.075 5.918 1.00 0.00 H new ATOM 0 HA SER A 60 -2.778 -0.542 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.999 -1.431 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.723 -0.706 6.020 1.00 0.00 H new ATOM 0 HG SER A 60 -0.677 0.009 8.226 1.00 0.00 H new ATOM 48 N SER A 61 -4.093 0.928 7.419 1.00 0.00 N ATOM 49 CA SER A 61 -5.325 1.077 8.184 1.00 0.00 C ATOM 50 C SER A 61 -6.252 2.096 7.528 1.00 0.00 C ATOM 51 O SER A 61 -5.858 3.232 7.266 1.00 0.00 O ATOM 52 CB SER A 61 -5.012 1.505 9.619 1.00 0.00 C ATOM 53 OG SER A 61 -4.397 0.452 10.342 1.00 0.00 O ATOM 0 H SER A 61 -3.299 1.446 7.795 1.00 0.00 H new ATOM 0 HA SER A 61 -5.830 0.111 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.355 2.375 9.607 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.931 1.807 10.121 1.00 0.00 H new ATOM 0 HG SER A 61 -4.205 0.751 11.255 1.00 0.00 H new ATOM 59 N GLY A 62 -7.487 1.681 7.265 1.00 0.00 N ATOM 60 CA GLY A 62 -8.451 2.569 6.642 1.00 0.00 C ATOM 61 C GLY A 62 -9.496 1.819 5.840 1.00 0.00 C ATOM 62 O GLY A 62 -10.364 1.156 6.406 1.00 0.00 O ATOM 0 H GLY A 62 -7.837 0.746 7.472 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.945 3.162 7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.928 3.267 5.989 1.00 0.00 H new ATOM 66 N GLU A 63 -9.414 1.925 4.517 1.00 0.00 N ATOM 67 CA GLU A 63 -10.362 1.253 3.637 1.00 0.00 C ATOM 68 C GLU A 63 -10.165 -0.260 3.678 1.00 0.00 C ATOM 69 O GLU A 63 -9.294 -0.765 4.387 1.00 0.00 O ATOM 70 CB GLU A 63 -10.207 1.760 2.201 1.00 0.00 C ATOM 71 CG GLU A 63 -8.785 1.666 1.673 1.00 0.00 C ATOM 72 CD GLU A 63 -8.452 2.776 0.695 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.043 2.794 -0.404 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.599 3.625 1.029 1.00 0.00 O ATOM 0 H GLU A 63 -8.701 2.470 4.032 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.368 1.480 3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.866 1.187 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.535 2.798 2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.087 1.703 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.646 0.702 1.184 1.00 0.00 H new ATOM 81 N LYS A 64 -10.980 -0.978 2.914 1.00 0.00 N ATOM 82 CA LYS A 64 -10.897 -2.432 2.861 1.00 0.00 C ATOM 83 C LYS A 64 -9.624 -2.879 2.149 1.00 0.00 C ATOM 84 O LYS A 64 -9.370 -4.075 1.999 1.00 0.00 O ATOM 85 CB LYS A 64 -12.122 -3.008 2.146 1.00 0.00 C ATOM 86 CG LYS A 64 -13.435 -2.397 2.603 1.00 0.00 C ATOM 87 CD LYS A 64 -14.623 -3.054 1.920 1.00 0.00 C ATOM 88 CE LYS A 64 -14.905 -4.433 2.496 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.186 -4.996 1.986 1.00 0.00 N ATOM 0 H LYS A 64 -11.707 -0.576 2.322 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.871 -2.807 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.012 -2.852 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.155 -4.085 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.531 -2.504 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.435 -1.329 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.505 -2.423 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.429 -3.138 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.086 -5.107 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.943 -4.371 3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.342 -5.936 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.971 -4.367 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.141 -5.079 0.950 1.00 0.00 H new ATOM 103 N THR A 65 -8.824 -1.910 1.713 1.00 0.00 N ATOM 104 CA THR A 65 -7.577 -2.204 1.018 1.00 0.00 C ATOM 105 C THR A 65 -6.939 -3.482 1.550 1.00 0.00 C ATOM 106 O THR A 65 -6.379 -4.271 0.789 1.00 0.00 O ATOM 107 CB THR A 65 -6.571 -1.045 1.156 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.285 -1.454 0.678 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.460 -0.595 2.604 1.00 0.00 C ATOM 0 H THR A 65 -9.018 -0.915 1.829 1.00 0.00 H new ATOM 0 HA THR A 65 -7.825 -2.337 -0.035 1.00 0.00 H new ATOM 0 HB THR A 65 -6.931 -0.207 0.559 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.651 -0.712 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.744 0.224 2.677 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.435 -0.257 2.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.121 -1.429 3.219 1.00 0.00 H new ATOM 117 N VAL A 66 -7.027 -3.681 2.861 1.00 0.00 N ATOM 118 CA VAL A 66 -6.459 -4.865 3.495 1.00 0.00 C ATOM 119 C VAL A 66 -7.467 -6.008 3.526 1.00 0.00 C ATOM 120 O VAL A 66 -8.666 -5.788 3.700 1.00 0.00 O ATOM 121 CB VAL A 66 -5.995 -4.564 4.932 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.803 -5.856 5.712 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.714 -3.745 4.918 1.00 0.00 C ATOM 0 H VAL A 66 -7.486 -3.037 3.505 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.597 -5.161 2.898 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.768 -3.978 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.475 -5.624 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.746 -6.401 5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.050 -6.470 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.401 -3.542 5.942 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.931 -4.302 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.890 -2.803 4.399 1.00 0.00 H new ATOM 133 N VAL A 67 -6.973 -7.230 3.356 1.00 0.00 N ATOM 134 CA VAL A 67 -7.830 -8.410 3.367 1.00 0.00 C ATOM 135 C VAL A 67 -8.109 -8.874 4.792 1.00 0.00 C ATOM 136 O VAL A 67 -7.201 -8.952 5.620 1.00 0.00 O ATOM 137 CB VAL A 67 -7.198 -9.570 2.575 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.916 -10.876 2.878 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.223 -9.272 1.083 1.00 0.00 C ATOM 0 H VAL A 67 -5.983 -7.429 3.209 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.768 -8.124 2.891 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.158 -9.674 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.456 -11.684 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.842 -11.093 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.966 -10.787 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.773 -10.102 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.254 -9.140 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.660 -8.360 0.885 1.00 0.00 H new ATOM 149 N CYS A 68 -9.371 -9.182 5.072 1.00 0.00 N ATOM 150 CA CYS A 68 -9.771 -9.639 6.397 1.00 0.00 C ATOM 151 C CYS A 68 -8.924 -10.829 6.841 1.00 0.00 C ATOM 152 O CYS A 68 -8.618 -11.718 6.046 1.00 0.00 O ATOM 153 CB CYS A 68 -11.252 -10.024 6.401 1.00 0.00 C ATOM 154 SG CYS A 68 -11.929 -10.356 8.059 1.00 0.00 S ATOM 0 H CYS A 68 -10.135 -9.123 4.398 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.613 -8.820 7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.827 -9.221 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.388 -10.910 5.781 1.00 0.00 H new ATOM 159 N LYS A 69 -8.550 -10.839 8.115 1.00 0.00 N ATOM 160 CA LYS A 69 -7.740 -11.919 8.667 1.00 0.00 C ATOM 161 C LYS A 69 -8.619 -13.081 9.120 1.00 0.00 C ATOM 162 O LYS A 69 -8.179 -14.231 9.145 1.00 0.00 O ATOM 163 CB LYS A 69 -6.906 -11.408 9.844 1.00 0.00 C ATOM 164 CG LYS A 69 -7.741 -10.898 11.006 1.00 0.00 C ATOM 165 CD LYS A 69 -6.882 -10.194 12.043 1.00 0.00 C ATOM 166 CE LYS A 69 -6.462 -8.810 11.572 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.915 -7.987 12.686 1.00 0.00 N ATOM 0 H LYS A 69 -8.795 -10.111 8.786 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.072 -12.276 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.260 -12.212 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.255 -10.606 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.501 -10.211 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.265 -11.732 11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.435 -10.109 12.978 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.996 -10.793 12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.710 -8.906 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.319 -8.301 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.640 -7.051 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.640 -7.874 13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.082 -8.460 13.090 1.00 0.00 H new ATOM 181 N HIS A 70 -9.862 -12.774 9.474 1.00 0.00 N ATOM 182 CA HIS A 70 -10.803 -13.793 9.924 1.00 0.00 C ATOM 183 C HIS A 70 -11.286 -14.641 8.751 1.00 0.00 C ATOM 184 O HIS A 70 -11.203 -15.869 8.784 1.00 0.00 O ATOM 185 CB HIS A 70 -11.997 -13.143 10.624 1.00 0.00 C ATOM 186 CG HIS A 70 -11.607 -12.133 11.659 1.00 0.00 C ATOM 187 ND1 HIS A 70 -11.029 -10.921 11.347 1.00 0.00 N ATOM 188 CD2 HIS A 70 -11.717 -12.160 13.008 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.798 -10.247 12.459 1.00 0.00 C ATOM 190 NE2 HIS A 70 -11.207 -10.976 13.481 1.00 0.00 N ATOM 0 H HIS A 70 -10.242 -11.827 9.458 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.287 -14.442 10.632 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.627 -12.661 9.877 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.599 -13.920 11.095 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -12.129 -12.963 13.601 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.351 -9.266 12.522 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.153 -10.704 14.463 1.00 0.00 H new ATOM 198 N TRP A 71 -11.792 -13.979 7.717 1.00 0.00 N ATOM 199 CA TRP A 71 -12.289 -14.672 6.534 1.00 0.00 C ATOM 200 C TRP A 71 -11.253 -15.658 6.005 1.00 0.00 C ATOM 201 O TRP A 71 -11.595 -16.756 5.562 1.00 0.00 O ATOM 202 CB TRP A 71 -12.656 -13.665 5.443 1.00 0.00 C ATOM 203 CG TRP A 71 -12.688 -14.262 4.069 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.715 -14.962 3.503 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.645 -14.214 3.089 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.374 -15.351 2.231 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.109 -14.905 1.953 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.365 -13.654 3.061 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.337 -15.049 0.803 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.600 -13.798 1.919 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.088 -14.490 0.802 1.00 0.00 C ATOM 0 H TRP A 71 -11.869 -12.963 7.674 1.00 0.00 H new ATOM 0 HA TRP A 71 -13.181 -15.229 6.819 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.633 -13.237 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.937 -12.846 5.459 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.657 -15.178 3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.967 -15.886 1.596 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.980 -13.118 3.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.711 -15.583 -0.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.609 -13.370 1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.466 -14.584 -0.076 1.00 0.00 H new ATOM 222 N LEU A 72 -9.986 -15.262 6.054 1.00 0.00 N ATOM 223 CA LEU A 72 -8.900 -16.111 5.580 1.00 0.00 C ATOM 224 C LEU A 72 -9.020 -17.520 6.153 1.00 0.00 C ATOM 225 O LEU A 72 -8.961 -18.506 5.419 1.00 0.00 O ATOM 226 CB LEU A 72 -7.548 -15.507 5.964 1.00 0.00 C ATOM 227 CG LEU A 72 -7.077 -14.325 5.117 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.894 -13.633 5.777 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.711 -14.787 3.713 1.00 0.00 C ATOM 0 H LEU A 72 -9.686 -14.358 6.418 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.969 -16.172 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.598 -15.186 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.793 -16.291 5.909 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.895 -13.609 5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.572 -12.794 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.189 -13.268 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.072 -14.341 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.378 -13.932 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.909 -15.523 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.584 -15.236 3.239 1.00 0.00 H new ATOM 241 N ARG A 73 -9.192 -17.606 7.468 1.00 0.00 N ATOM 242 CA ARG A 73 -9.323 -18.894 8.139 1.00 0.00 C ATOM 243 C ARG A 73 -10.791 -19.281 8.292 1.00 0.00 C ATOM 244 O ARG A 73 -11.141 -20.107 9.134 1.00 0.00 O ATOM 245 CB ARG A 73 -8.650 -18.847 9.512 1.00 0.00 C ATOM 246 CG ARG A 73 -7.173 -19.205 9.480 1.00 0.00 C ATOM 247 CD ARG A 73 -6.960 -20.703 9.632 1.00 0.00 C ATOM 248 NE ARG A 73 -7.017 -21.125 11.029 1.00 0.00 N ATOM 249 CZ ARG A 73 -6.850 -22.382 11.424 1.00 0.00 C ATOM 250 NH1 ARG A 73 -6.617 -23.336 10.532 1.00 0.00 N ATOM 251 NH2 ARG A 73 -6.916 -22.688 12.713 1.00 0.00 N ATOM 0 H ARG A 73 -9.244 -16.799 8.090 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.830 -19.648 7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.763 -17.846 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -9.167 -19.532 10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.736 -18.868 8.540 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.653 -18.679 10.280 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.719 -21.237 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.993 -20.976 9.210 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.195 -20.416 11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.566 -23.105 9.540 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.489 -24.300 10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.095 -21.958 13.402 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.788 -23.654 13.015 1.00 0.00 H new ATOM 265 N GLY A 74 -11.645 -18.676 7.472 1.00 0.00 N ATOM 266 CA GLY A 74 -13.065 -18.970 7.533 1.00 0.00 C ATOM 267 C GLY A 74 -13.642 -18.761 8.919 1.00 0.00 C ATOM 268 O GLY A 74 -14.295 -19.648 9.469 1.00 0.00 O ATOM 0 H GLY A 74 -11.379 -17.988 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.595 -18.335 6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.233 -20.002 7.225 1.00 0.00 H new ATOM 272 N LEU A 75 -13.399 -17.585 9.487 1.00 0.00 N ATOM 273 CA LEU A 75 -13.898 -17.261 10.820 1.00 0.00 C ATOM 274 C LEU A 75 -14.686 -15.955 10.804 1.00 0.00 C ATOM 275 O LEU A 75 -14.808 -15.279 11.826 1.00 0.00 O ATOM 276 CB LEU A 75 -12.736 -17.157 11.809 1.00 0.00 C ATOM 277 CG LEU A 75 -11.793 -18.359 11.866 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.477 -17.974 12.523 1.00 0.00 C ATOM 279 CD2 LEU A 75 -12.446 -19.514 12.611 1.00 0.00 C ATOM 0 H LEU A 75 -12.860 -16.840 9.046 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.566 -18.062 11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.150 -16.273 11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.147 -16.995 12.806 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.585 -18.682 10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.819 -18.842 12.555 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.002 -17.179 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.666 -17.624 13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.761 -20.361 12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.684 -19.203 13.628 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.362 -19.807 12.097 1.00 0.00 H new ATOM 291 N CYS A 76 -15.222 -15.608 9.639 1.00 0.00 N ATOM 292 CA CYS A 76 -16.001 -14.384 9.489 1.00 0.00 C ATOM 293 C CYS A 76 -17.359 -14.678 8.859 1.00 0.00 C ATOM 294 O CYS A 76 -17.472 -15.510 7.958 1.00 0.00 O ATOM 295 CB CYS A 76 -15.238 -13.371 8.634 1.00 0.00 C ATOM 296 SG CYS A 76 -15.581 -11.633 9.058 1.00 0.00 S ATOM 0 H CYS A 76 -15.131 -16.157 8.784 1.00 0.00 H new ATOM 0 HA CYS A 76 -16.164 -13.962 10.481 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -14.169 -13.555 8.739 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.488 -13.534 7.586 1.00 0.00 H new ATOM 301 N LYS A 77 -18.389 -13.988 9.338 1.00 0.00 N ATOM 302 CA LYS A 77 -19.740 -14.172 8.821 1.00 0.00 C ATOM 303 C LYS A 77 -20.348 -12.838 8.402 1.00 0.00 C ATOM 304 O LYS A 77 -21.559 -12.638 8.499 1.00 0.00 O ATOM 305 CB LYS A 77 -20.625 -14.839 9.877 1.00 0.00 C ATOM 306 CG LYS A 77 -20.266 -16.291 10.142 1.00 0.00 C ATOM 307 CD LYS A 77 -20.854 -17.212 9.086 1.00 0.00 C ATOM 308 CE LYS A 77 -20.618 -18.675 9.429 1.00 0.00 C ATOM 309 NZ LYS A 77 -21.722 -19.236 10.256 1.00 0.00 N ATOM 0 H LYS A 77 -18.314 -13.296 10.084 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.683 -14.816 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -20.549 -14.279 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.665 -14.783 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.182 -16.401 10.160 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.632 -16.584 11.126 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.924 -17.027 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.408 -16.988 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.523 -19.253 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.675 -18.774 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.524 -20.235 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.796 -18.701 11.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.618 -19.165 9.733 1.00 0.00 H new ATOM 323 N LYS A 78 -19.501 -11.927 7.935 1.00 0.00 N ATOM 324 CA LYS A 78 -19.955 -10.612 7.497 1.00 0.00 C ATOM 325 C LYS A 78 -20.073 -10.555 5.978 1.00 0.00 C ATOM 326 O LYS A 78 -20.952 -9.883 5.439 1.00 0.00 O ATOM 327 CB LYS A 78 -18.990 -9.529 7.985 1.00 0.00 C ATOM 328 CG LYS A 78 -18.760 -9.551 9.486 1.00 0.00 C ATOM 329 CD LYS A 78 -17.810 -8.447 9.921 1.00 0.00 C ATOM 330 CE LYS A 78 -17.699 -8.371 11.436 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.939 -7.829 12.056 1.00 0.00 N ATOM 0 H LYS A 78 -18.495 -12.075 7.850 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.941 -10.433 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -18.033 -9.651 7.477 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.380 -8.552 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.713 -9.437 10.003 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -18.353 -10.519 9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.824 -8.624 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -18.160 -7.491 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.498 -9.365 11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.852 -7.741 11.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.762 -7.618 13.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -19.221 -6.958 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.701 -8.532 11.980 1.00 0.00 H new ATOM 345 N GLY A 79 -19.184 -11.267 5.292 1.00 0.00 N ATOM 346 CA GLY A 79 -19.208 -11.284 3.841 1.00 0.00 C ATOM 347 C GLY A 79 -18.892 -9.929 3.240 1.00 0.00 C ATOM 348 O GLY A 79 -17.788 -9.410 3.405 1.00 0.00 O ATOM 0 H GLY A 79 -18.448 -11.832 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.487 -12.016 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.191 -11.609 3.501 1.00 0.00 H new ATOM 352 N ASP A 80 -19.863 -9.354 2.538 1.00 0.00 N ATOM 353 CA ASP A 80 -19.683 -8.051 1.909 1.00 0.00 C ATOM 354 C ASP A 80 -19.967 -6.926 2.899 1.00 0.00 C ATOM 355 O ASP A 80 -20.050 -5.758 2.519 1.00 0.00 O ATOM 356 CB ASP A 80 -20.598 -7.918 0.691 1.00 0.00 C ATOM 357 CG ASP A 80 -19.996 -8.536 -0.556 1.00 0.00 C ATOM 358 OD1 ASP A 80 -19.181 -7.861 -1.219 1.00 0.00 O ATOM 359 OD2 ASP A 80 -20.338 -9.696 -0.867 1.00 0.00 O ATOM 0 H ASP A 80 -20.783 -9.770 2.391 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.645 -7.972 1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.554 -8.396 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.803 -6.863 0.508 1.00 0.00 H new ATOM 364 N GLN A 81 -20.118 -7.286 4.170 1.00 0.00 N ATOM 365 CA GLN A 81 -20.395 -6.306 5.213 1.00 0.00 C ATOM 366 C GLN A 81 -19.141 -6.012 6.030 1.00 0.00 C ATOM 367 O GLN A 81 -19.036 -4.965 6.670 1.00 0.00 O ATOM 368 CB GLN A 81 -21.509 -6.810 6.132 1.00 0.00 C ATOM 369 CG GLN A 81 -22.856 -6.943 5.439 1.00 0.00 C ATOM 370 CD GLN A 81 -23.027 -8.283 4.750 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.308 -9.294 5.394 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.859 -8.297 3.433 1.00 0.00 N ATOM 0 H GLN A 81 -20.053 -8.248 4.502 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.719 -5.383 4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.222 -7.779 6.539 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.610 -6.127 6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.652 -6.811 6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.963 -6.145 4.705 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.627 -7.435 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.962 -9.170 2.915 1.00 0.00 H new ATOM 381 N CYS A 82 -18.192 -6.941 6.005 1.00 0.00 N ATOM 382 CA CYS A 82 -16.945 -6.783 6.743 1.00 0.00 C ATOM 383 C CYS A 82 -16.299 -5.435 6.436 1.00 0.00 C ATOM 384 O CYS A 82 -16.651 -4.776 5.458 1.00 0.00 O ATOM 385 CB CYS A 82 -15.976 -7.916 6.398 1.00 0.00 C ATOM 386 SG CYS A 82 -14.572 -8.069 7.549 1.00 0.00 S ATOM 0 H CYS A 82 -18.263 -7.813 5.480 1.00 0.00 H new ATOM 0 HA CYS A 82 -17.174 -6.822 7.808 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.525 -8.858 6.384 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.591 -7.756 5.391 1.00 0.00 H new ATOM 391 N GLU A 83 -15.352 -5.033 7.278 1.00 0.00 N ATOM 392 CA GLU A 83 -14.657 -3.764 7.096 1.00 0.00 C ATOM 393 C GLU A 83 -13.379 -3.955 6.284 1.00 0.00 C ATOM 394 O GLU A 83 -12.651 -2.998 6.018 1.00 0.00 O ATOM 395 CB GLU A 83 -14.324 -3.140 8.453 1.00 0.00 C ATOM 396 CG GLU A 83 -14.047 -4.163 9.541 1.00 0.00 C ATOM 397 CD GLU A 83 -13.141 -3.624 10.632 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.479 -2.592 10.396 1.00 0.00 O ATOM 399 OE2 GLU A 83 -13.095 -4.234 11.720 1.00 0.00 O ATOM 0 H GLU A 83 -15.049 -5.567 8.092 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.318 -3.093 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.453 -2.494 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.153 -2.505 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.991 -4.483 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.588 -5.046 9.096 1.00 0.00 H new ATOM 406 N PHE A 84 -13.113 -5.197 5.894 1.00 0.00 N ATOM 407 CA PHE A 84 -11.922 -5.514 5.114 1.00 0.00 C ATOM 408 C PHE A 84 -12.290 -6.283 3.848 1.00 0.00 C ATOM 409 O PHE A 84 -13.427 -6.730 3.688 1.00 0.00 O ATOM 410 CB PHE A 84 -10.940 -6.334 5.954 1.00 0.00 C ATOM 411 CG PHE A 84 -10.336 -5.562 7.092 1.00 0.00 C ATOM 412 CD1 PHE A 84 -9.164 -4.844 6.915 1.00 0.00 C ATOM 413 CD2 PHE A 84 -10.940 -5.554 8.339 1.00 0.00 C ATOM 414 CE1 PHE A 84 -8.606 -4.133 7.961 1.00 0.00 C ATOM 415 CE2 PHE A 84 -10.386 -4.845 9.389 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.218 -4.133 9.199 1.00 0.00 C ATOM 0 H PHE A 84 -13.705 -6.000 6.105 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.448 -4.576 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.456 -7.208 6.351 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.141 -6.701 5.310 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.681 -4.840 5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.854 -6.108 8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.692 -3.578 7.810 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.866 -4.848 10.356 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.784 -3.577 10.017 1.00 0.00 H new ATOM 426 N LEU A 85 -11.322 -6.432 2.952 1.00 0.00 N ATOM 427 CA LEU A 85 -11.543 -7.146 1.699 1.00 0.00 C ATOM 428 C LEU A 85 -11.607 -8.652 1.934 1.00 0.00 C ATOM 429 O LEU A 85 -10.792 -9.211 2.668 1.00 0.00 O ATOM 430 CB LEU A 85 -10.430 -6.821 0.701 1.00 0.00 C ATOM 431 CG LEU A 85 -10.562 -5.491 -0.043 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.200 -5.004 -0.512 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.516 -5.632 -1.221 1.00 0.00 C ATOM 0 H LEU A 85 -10.376 -6.068 3.069 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.498 -6.820 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.479 -6.823 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.384 -7.623 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.972 -4.751 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.314 -4.057 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.547 -4.864 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.761 -5.742 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.598 -4.676 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.135 -6.386 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.499 -5.934 -0.859 1.00 0.00 H new ATOM 445 N HIS A 86 -12.579 -9.303 1.303 1.00 0.00 N ATOM 446 CA HIS A 86 -12.747 -10.745 1.442 1.00 0.00 C ATOM 447 C HIS A 86 -12.269 -11.471 0.188 1.00 0.00 C ATOM 448 O HIS A 86 -12.668 -12.605 -0.074 1.00 0.00 O ATOM 449 CB HIS A 86 -14.213 -11.085 1.714 1.00 0.00 C ATOM 450 CG HIS A 86 -14.589 -11.002 3.161 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.710 -11.611 3.684 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.983 -10.377 4.198 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.779 -11.363 4.980 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.743 -10.617 5.317 1.00 0.00 N ATOM 0 H HIS A 86 -13.261 -8.855 0.691 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.142 -11.077 2.286 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.847 -10.406 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.417 -12.092 1.351 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.381 -12.166 3.153 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.072 -9.798 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.551 -11.711 5.650 1.00 0.00 H new ATOM 462 N GLU A 87 -11.413 -10.808 -0.583 1.00 0.00 N ATOM 463 CA GLU A 87 -10.882 -11.390 -1.810 1.00 0.00 C ATOM 464 C GLU A 87 -9.356 -11.380 -1.802 1.00 0.00 C ATOM 465 O GLU A 87 -8.733 -10.373 -1.465 1.00 0.00 O ATOM 466 CB GLU A 87 -11.401 -10.626 -3.030 1.00 0.00 C ATOM 467 CG GLU A 87 -11.466 -9.122 -2.824 1.00 0.00 C ATOM 468 CD GLU A 87 -12.804 -8.666 -2.274 1.00 0.00 C ATOM 469 OE1 GLU A 87 -13.721 -8.412 -3.082 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.933 -8.563 -1.036 1.00 0.00 O ATOM 0 H GLU A 87 -11.073 -9.868 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.221 -12.424 -1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.757 -10.840 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.396 -10.993 -3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.674 -8.818 -2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.278 -8.620 -3.773 1.00 0.00 H new ATOM 477 N TYR A 88 -8.761 -12.508 -2.174 1.00 0.00 N ATOM 478 CA TYR A 88 -7.308 -12.631 -2.207 1.00 0.00 C ATOM 479 C TYR A 88 -6.723 -11.862 -3.387 1.00 0.00 C ATOM 480 O TYR A 88 -6.857 -12.275 -4.539 1.00 0.00 O ATOM 481 CB TYR A 88 -6.902 -14.103 -2.291 1.00 0.00 C ATOM 482 CG TYR A 88 -5.629 -14.423 -1.540 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.385 -14.135 -2.088 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.670 -15.015 -0.284 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.219 -14.426 -1.407 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.509 -15.309 0.406 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.287 -15.013 -0.160 1.00 0.00 C ATOM 488 OH TYR A 88 -2.128 -15.305 0.523 1.00 0.00 O ATOM 0 H TYR A 88 -9.262 -13.350 -2.457 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.911 -12.204 -1.286 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.711 -14.718 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.775 -14.377 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.329 -13.675 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.626 -15.250 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.260 -14.196 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.559 -15.768 1.382 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.351 -15.714 1.385 1.00 0.00 H new ATOM 498 N ASP A 89 -6.074 -10.742 -3.092 1.00 0.00 N ATOM 499 CA ASP A 89 -5.465 -9.914 -4.127 1.00 0.00 C ATOM 500 C ASP A 89 -3.990 -9.666 -3.828 1.00 0.00 C ATOM 501 O ASP A 89 -3.618 -9.372 -2.692 1.00 0.00 O ATOM 502 CB ASP A 89 -6.206 -8.581 -4.245 1.00 0.00 C ATOM 503 CG ASP A 89 -6.165 -8.019 -5.653 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.947 -8.804 -6.599 1.00 0.00 O ATOM 505 OD2 ASP A 89 -6.353 -6.795 -5.808 1.00 0.00 O ATOM 0 H ASP A 89 -5.956 -10.386 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.539 -10.447 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.244 -8.717 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.764 -7.861 -3.556 1.00 0.00 H new ATOM 510 N MET A 90 -3.155 -9.788 -4.854 1.00 0.00 N ATOM 511 CA MET A 90 -1.720 -9.576 -4.700 1.00 0.00 C ATOM 512 C MET A 90 -1.405 -8.095 -4.515 1.00 0.00 C ATOM 513 O MET A 90 -0.286 -7.727 -4.157 1.00 0.00 O ATOM 514 CB MET A 90 -0.969 -10.122 -5.916 1.00 0.00 C ATOM 515 CG MET A 90 -0.736 -11.623 -5.864 1.00 0.00 C ATOM 516 SD MET A 90 0.861 -12.054 -5.147 1.00 0.00 S ATOM 517 CE MET A 90 0.634 -11.499 -3.459 1.00 0.00 C ATOM 0 H MET A 90 -3.446 -10.032 -5.800 1.00 0.00 H new ATOM 0 HA MET A 90 -1.393 -10.112 -3.809 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.531 -9.881 -6.818 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.007 -9.616 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.530 -12.090 -5.281 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.799 -12.032 -6.873 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.453 -11.868 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.623 -10.409 -3.433 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.312 -11.881 -3.074 1.00 0.00 H new ATOM 527 N THR A 91 -2.400 -7.248 -4.763 1.00 0.00 N ATOM 528 CA THR A 91 -2.228 -5.807 -4.625 1.00 0.00 C ATOM 529 C THR A 91 -2.896 -5.293 -3.355 1.00 0.00 C ATOM 530 O THR A 91 -2.267 -4.621 -2.538 1.00 0.00 O ATOM 531 CB THR A 91 -2.808 -5.055 -5.838 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.230 -5.216 -5.881 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.195 -5.563 -7.134 1.00 0.00 C ATOM 0 H THR A 91 -3.333 -7.535 -5.060 1.00 0.00 H new ATOM 0 HA THR A 91 -1.156 -5.619 -4.569 1.00 0.00 H new ATOM 0 HB THR A 91 -2.566 -3.998 -5.731 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.449 -6.168 -5.955 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.620 -5.017 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.116 -5.411 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.409 -6.626 -7.246 1.00 0.00 H new ATOM 541 N LYS A 92 -4.176 -5.613 -3.194 1.00 0.00 N ATOM 542 CA LYS A 92 -4.930 -5.185 -2.022 1.00 0.00 C ATOM 543 C LYS A 92 -4.289 -5.709 -0.741 1.00 0.00 C ATOM 544 O LYS A 92 -4.132 -4.972 0.232 1.00 0.00 O ATOM 545 CB LYS A 92 -6.378 -5.673 -2.116 1.00 0.00 C ATOM 546 CG LYS A 92 -7.070 -5.276 -3.408 1.00 0.00 C ATOM 547 CD LYS A 92 -7.720 -3.907 -3.295 1.00 0.00 C ATOM 548 CE LYS A 92 -6.769 -2.801 -3.728 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.902 -2.491 -5.178 1.00 0.00 N ATOM 0 H LYS A 92 -4.713 -6.168 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.920 -4.095 -1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.393 -6.759 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.943 -5.274 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.346 -5.270 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.826 -6.019 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.619 -3.878 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.034 -3.736 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.968 -1.902 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.743 -3.100 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.238 -1.733 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.687 -3.342 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.874 -2.181 -5.379 1.00 0.00 H new ATOM 563 N MET A 93 -3.919 -6.986 -0.749 1.00 0.00 N ATOM 564 CA MET A 93 -3.292 -7.606 0.412 1.00 0.00 C ATOM 565 C MET A 93 -1.984 -6.905 0.764 1.00 0.00 C ATOM 566 O MET A 93 -1.332 -6.294 -0.084 1.00 0.00 O ATOM 567 CB MET A 93 -3.032 -9.090 0.146 1.00 0.00 C ATOM 568 CG MET A 93 -1.687 -9.365 -0.507 1.00 0.00 C ATOM 569 SD MET A 93 -1.428 -11.115 -0.855 1.00 0.00 S ATOM 570 CE MET A 93 -1.358 -11.783 0.805 1.00 0.00 C ATOM 0 H MET A 93 -4.043 -7.611 -1.546 1.00 0.00 H new ATOM 0 HA MET A 93 -3.974 -7.509 1.256 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.087 -9.634 1.089 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.824 -9.480 -0.494 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.616 -8.800 -1.436 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.891 -9.007 0.145 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.943 -12.790 0.775 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.726 -11.149 1.426 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.363 -11.817 1.226 1.00 0.00 H new ATOM 580 N PRO A 94 -1.589 -6.992 2.043 1.00 0.00 N ATOM 581 CA PRO A 94 -0.355 -6.372 2.535 1.00 0.00 C ATOM 582 C PRO A 94 0.894 -7.062 1.999 1.00 0.00 C ATOM 583 O PRO A 94 0.813 -8.134 1.401 1.00 0.00 O ATOM 584 CB PRO A 94 -0.453 -6.544 4.053 1.00 0.00 C ATOM 585 CG PRO A 94 -1.332 -7.731 4.243 1.00 0.00 C ATOM 586 CD PRO A 94 -2.316 -7.705 3.107 1.00 0.00 C ATOM 0 HA PRO A 94 -0.264 -5.334 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.529 -6.703 4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.877 -5.658 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.750 -8.653 4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.844 -7.687 5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.598 -8.711 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.235 -7.187 3.383 1.00 0.00 H new ATOM 594 N GLU A 95 2.048 -6.440 2.219 1.00 0.00 N ATOM 595 CA GLU A 95 3.315 -6.996 1.757 1.00 0.00 C ATOM 596 C GLU A 95 3.972 -7.834 2.850 1.00 0.00 C ATOM 597 O GLU A 95 3.555 -7.801 4.008 1.00 0.00 O ATOM 598 CB GLU A 95 4.261 -5.875 1.321 1.00 0.00 C ATOM 599 CG GLU A 95 3.610 -4.852 0.405 1.00 0.00 C ATOM 600 CD GLU A 95 2.512 -4.066 1.094 1.00 0.00 C ATOM 601 OE1 GLU A 95 2.839 -3.173 1.903 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.325 -4.345 0.824 1.00 0.00 O ATOM 0 H GLU A 95 2.132 -5.552 2.714 1.00 0.00 H new ATOM 0 HA GLU A 95 3.109 -7.641 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.642 -5.367 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.119 -6.313 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.370 -4.162 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.196 -5.361 -0.465 1.00 0.00 H new ATOM 609 N CYS A 96 5.001 -8.585 2.473 1.00 0.00 N ATOM 610 CA CYS A 96 5.716 -9.433 3.419 1.00 0.00 C ATOM 611 C CYS A 96 6.393 -8.594 4.499 1.00 0.00 C ATOM 612 O CYS A 96 7.279 -7.789 4.210 1.00 0.00 O ATOM 613 CB CYS A 96 6.760 -10.281 2.688 1.00 0.00 C ATOM 614 SG CYS A 96 7.177 -11.839 3.535 1.00 0.00 S ATOM 0 H CYS A 96 5.359 -8.624 1.519 1.00 0.00 H new ATOM 0 HA CYS A 96 4.991 -10.092 3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.391 -10.511 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.669 -9.692 2.565 1.00 0.00 H new ATOM 619 N TYR A 97 5.969 -8.787 5.743 1.00 0.00 N ATOM 620 CA TYR A 97 6.532 -8.047 6.866 1.00 0.00 C ATOM 621 C TYR A 97 8.050 -8.191 6.908 1.00 0.00 C ATOM 622 O TYR A 97 8.767 -7.247 7.241 1.00 0.00 O ATOM 623 CB TYR A 97 5.925 -8.536 8.182 1.00 0.00 C ATOM 624 CG TYR A 97 6.858 -8.404 9.365 1.00 0.00 C ATOM 625 CD1 TYR A 97 7.433 -7.180 9.687 1.00 0.00 C ATOM 626 CD2 TYR A 97 7.164 -9.501 10.160 1.00 0.00 C ATOM 627 CE1 TYR A 97 8.286 -7.054 10.766 1.00 0.00 C ATOM 628 CE2 TYR A 97 8.015 -9.384 11.242 1.00 0.00 C ATOM 629 CZ TYR A 97 8.573 -8.159 11.541 1.00 0.00 C ATOM 630 OH TYR A 97 9.422 -8.038 12.617 1.00 0.00 O ATOM 0 H TYR A 97 5.237 -9.450 5.999 1.00 0.00 H new ATOM 0 HA TYR A 97 6.289 -6.993 6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.014 -7.973 8.384 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.636 -9.581 8.073 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.209 -6.313 9.083 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.729 -10.462 9.928 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.726 -6.096 11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.242 -10.247 11.850 1.00 0.00 H new ATOM 0 HH TYR A 97 10.346 -8.175 12.321 1.00 0.00 H new ATOM 640 N PHE A 98 8.534 -9.381 6.567 1.00 0.00 N ATOM 641 CA PHE A 98 9.967 -9.651 6.565 1.00 0.00 C ATOM 642 C PHE A 98 10.676 -8.824 5.497 1.00 0.00 C ATOM 643 O PHE A 98 11.437 -7.908 5.809 1.00 0.00 O ATOM 644 CB PHE A 98 10.226 -11.141 6.328 1.00 0.00 C ATOM 645 CG PHE A 98 9.750 -12.018 7.449 1.00 0.00 C ATOM 646 CD1 PHE A 98 10.497 -12.150 8.609 1.00 0.00 C ATOM 647 CD2 PHE A 98 8.556 -12.712 7.344 1.00 0.00 C ATOM 648 CE1 PHE A 98 10.062 -12.957 9.643 1.00 0.00 C ATOM 649 CE2 PHE A 98 8.115 -13.520 8.375 1.00 0.00 C ATOM 650 CZ PHE A 98 8.869 -13.643 9.526 1.00 0.00 C ATOM 0 H PHE A 98 7.955 -10.173 6.289 1.00 0.00 H new ATOM 0 HA PHE A 98 10.365 -9.370 7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.732 -11.445 5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 98 11.295 -11.297 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 98 11.430 -11.616 8.706 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.963 -12.621 6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 98 10.654 -13.051 10.541 1.00 0.00 H new ATOM 0 HE2 PHE A 98 7.181 -14.055 8.281 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.526 -14.274 10.333 1.00 0.00 H new ATOM 660 N TYR A 99 10.420 -9.153 4.236 1.00 0.00 N ATOM 661 CA TYR A 99 11.035 -8.443 3.121 1.00 0.00 C ATOM 662 C TYR A 99 10.684 -6.958 3.160 1.00 0.00 C ATOM 663 O TYR A 99 11.308 -6.143 2.481 1.00 0.00 O ATOM 664 CB TYR A 99 10.583 -9.049 1.791 1.00 0.00 C ATOM 665 CG TYR A 99 11.614 -8.935 0.692 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.693 -7.796 -0.099 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.512 -9.967 0.444 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.634 -7.688 -1.105 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.456 -9.867 -0.558 1.00 0.00 C ATOM 670 CZ TYR A 99 13.513 -8.726 -1.330 1.00 0.00 C ATOM 671 OH TYR A 99 14.453 -8.622 -2.331 1.00 0.00 O ATOM 0 H TYR A 99 9.791 -9.907 3.960 1.00 0.00 H new ATOM 0 HA TYR A 99 12.116 -8.545 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.342 -10.101 1.944 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.666 -8.556 1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 99 11.007 -6.980 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.470 -10.863 1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.681 -6.796 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 99 14.146 -10.678 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 99 14.995 -9.438 -2.357 1.00 0.00 H new ATOM 681 N SER A 100 9.681 -6.615 3.962 1.00 0.00 N ATOM 682 CA SER A 100 9.244 -5.230 4.090 1.00 0.00 C ATOM 683 C SER A 100 9.988 -4.527 5.222 1.00 0.00 C ATOM 684 O SER A 100 10.182 -3.312 5.194 1.00 0.00 O ATOM 685 CB SER A 100 7.736 -5.169 4.341 1.00 0.00 C ATOM 686 OG SER A 100 7.312 -3.839 4.579 1.00 0.00 O ATOM 0 H SER A 100 9.156 -7.277 4.533 1.00 0.00 H new ATOM 0 HA SER A 100 9.471 -4.717 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.204 -5.575 3.480 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.481 -5.794 5.197 1.00 0.00 H new ATOM 0 HG SER A 100 6.345 -3.827 4.735 1.00 0.00 H new ATOM 692 N LYS A 101 10.403 -5.302 6.218 1.00 0.00 N ATOM 693 CA LYS A 101 11.127 -4.757 7.361 1.00 0.00 C ATOM 694 C LYS A 101 12.620 -5.048 7.248 1.00 0.00 C ATOM 695 O LYS A 101 13.433 -4.133 7.115 1.00 0.00 O ATOM 696 CB LYS A 101 10.580 -5.343 8.664 1.00 0.00 C ATOM 697 CG LYS A 101 10.861 -4.482 9.883 1.00 0.00 C ATOM 698 CD LYS A 101 12.276 -4.689 10.398 1.00 0.00 C ATOM 699 CE LYS A 101 12.368 -4.433 11.894 1.00 0.00 C ATOM 700 NZ LYS A 101 13.736 -4.009 12.301 1.00 0.00 N ATOM 0 H LYS A 101 10.251 -6.310 6.257 1.00 0.00 H new ATOM 0 HA LYS A 101 10.985 -3.676 7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.503 -5.480 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.015 -6.331 8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.715 -3.432 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.147 -4.722 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.598 -5.708 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.957 -4.021 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.650 -3.662 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.092 -5.338 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.757 -3.844 13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.418 -4.755 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.990 -3.131 11.804 1.00 0.00 H new ATOM 714 N PHE A 102 12.975 -6.328 7.300 1.00 0.00 N ATOM 715 CA PHE A 102 14.370 -6.739 7.203 1.00 0.00 C ATOM 716 C PHE A 102 14.832 -6.758 5.748 1.00 0.00 C ATOM 717 O PHE A 102 16.013 -6.572 5.458 1.00 0.00 O ATOM 718 CB PHE A 102 14.561 -8.123 7.827 1.00 0.00 C ATOM 719 CG PHE A 102 14.001 -8.236 9.216 1.00 0.00 C ATOM 720 CD1 PHE A 102 14.759 -7.869 10.315 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.715 -8.711 9.422 1.00 0.00 C ATOM 722 CE1 PHE A 102 14.246 -7.971 11.595 1.00 0.00 C ATOM 723 CE2 PHE A 102 12.197 -8.815 10.699 1.00 0.00 C ATOM 724 CZ PHE A 102 12.964 -8.446 11.787 1.00 0.00 C ATOM 0 H PHE A 102 12.315 -7.098 7.409 1.00 0.00 H new ATOM 0 HA PHE A 102 14.974 -6.015 7.749 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.085 -8.869 7.190 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.625 -8.358 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.763 -7.499 10.171 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.111 -9.003 8.575 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.847 -7.679 12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.193 -9.185 10.846 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.562 -8.529 12.786 1.00 0.00 H new ATOM 734 N GLY A 103 13.891 -6.984 4.837 1.00 0.00 N ATOM 735 CA GLY A 103 14.220 -7.023 3.424 1.00 0.00 C ATOM 736 C GLY A 103 14.966 -8.284 3.038 1.00 0.00 C ATOM 737 O GLY A 103 15.844 -8.253 2.176 1.00 0.00 O ATOM 0 H GLY A 103 12.906 -7.141 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.303 -6.953 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.827 -6.154 3.171 1.00 0.00 H new ATOM 741 N GLU A 104 14.618 -9.396 3.677 1.00 0.00 N ATOM 742 CA GLU A 104 15.264 -10.673 3.396 1.00 0.00 C ATOM 743 C GLU A 104 14.294 -11.832 3.610 1.00 0.00 C ATOM 744 O GLU A 104 13.885 -12.115 4.736 1.00 0.00 O ATOM 745 CB GLU A 104 16.495 -10.853 4.286 1.00 0.00 C ATOM 746 CG GLU A 104 17.358 -9.607 4.391 1.00 0.00 C ATOM 747 CD GLU A 104 18.607 -9.830 5.223 1.00 0.00 C ATOM 748 OE1 GLU A 104 19.006 -11.000 5.392 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.184 -8.832 5.703 1.00 0.00 O ATOM 0 H GLU A 104 13.892 -9.439 4.393 1.00 0.00 H new ATOM 0 HA GLU A 104 15.576 -10.671 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.171 -11.145 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.099 -11.671 3.895 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.645 -9.283 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.772 -8.800 4.831 1.00 0.00 H new ATOM 756 N CYS A 105 13.931 -12.500 2.520 1.00 0.00 N ATOM 757 CA CYS A 105 13.009 -13.627 2.586 1.00 0.00 C ATOM 758 C CYS A 105 13.454 -14.748 1.651 1.00 0.00 C ATOM 759 O CYS A 105 13.567 -14.554 0.441 1.00 0.00 O ATOM 760 CB CYS A 105 11.593 -13.177 2.222 1.00 0.00 C ATOM 761 SG CYS A 105 10.278 -14.248 2.889 1.00 0.00 S ATOM 0 H CYS A 105 14.262 -12.280 1.580 1.00 0.00 H new ATOM 0 HA CYS A 105 13.011 -14.007 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.441 -12.162 2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.502 -13.141 1.136 1.00 0.00 H new ATOM 766 N SER A 106 13.705 -15.923 2.221 1.00 0.00 N ATOM 767 CA SER A 106 14.140 -17.074 1.440 1.00 0.00 C ATOM 768 C SER A 106 12.953 -17.952 1.058 1.00 0.00 C ATOM 769 O SER A 106 13.044 -19.179 1.073 1.00 0.00 O ATOM 770 CB SER A 106 15.163 -17.895 2.229 1.00 0.00 C ATOM 771 OG SER A 106 16.382 -17.187 2.374 1.00 0.00 O ATOM 0 H SER A 106 13.614 -16.102 3.221 1.00 0.00 H new ATOM 0 HA SER A 106 14.606 -16.706 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.760 -18.136 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.346 -18.841 1.719 1.00 0.00 H new ATOM 0 HG SER A 106 17.018 -17.732 2.883 1.00 0.00 H new ATOM 777 N ASN A 107 11.839 -17.314 0.716 1.00 0.00 N ATOM 778 CA ASN A 107 10.631 -18.036 0.330 1.00 0.00 C ATOM 779 C ASN A 107 10.319 -17.822 -1.148 1.00 0.00 C ATOM 780 O ASN A 107 10.014 -16.709 -1.575 1.00 0.00 O ATOM 781 CB ASN A 107 9.446 -17.582 1.184 1.00 0.00 C ATOM 782 CG ASN A 107 9.416 -18.262 2.540 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.223 -19.149 2.819 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.483 -17.848 3.389 1.00 0.00 N ATOM 0 H ASN A 107 11.747 -16.298 0.698 1.00 0.00 H new ATOM 0 HA ASN A 107 10.804 -19.099 0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.495 -16.502 1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.517 -17.794 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.414 -18.268 4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.835 -17.110 3.114 1.00 0.00 H new ATOM 791 N LYS A 108 10.396 -18.898 -1.924 1.00 0.00 N ATOM 792 CA LYS A 108 10.120 -18.831 -3.354 1.00 0.00 C ATOM 793 C LYS A 108 8.621 -18.718 -3.614 1.00 0.00 C ATOM 794 O LYS A 108 8.190 -17.977 -4.497 1.00 0.00 O ATOM 795 CB LYS A 108 10.679 -20.068 -4.061 1.00 0.00 C ATOM 796 CG LYS A 108 10.228 -20.199 -5.505 1.00 0.00 C ATOM 797 CD LYS A 108 11.096 -19.371 -6.438 1.00 0.00 C ATOM 798 CE LYS A 108 12.396 -20.087 -6.772 1.00 0.00 C ATOM 799 NZ LYS A 108 12.158 -21.330 -7.556 1.00 0.00 N ATOM 0 H LYS A 108 10.647 -19.827 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 108 10.608 -17.941 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.768 -20.032 -4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.374 -20.959 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.266 -21.246 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.190 -19.879 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.548 -19.162 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.318 -18.410 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.044 -19.418 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.922 -20.334 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.012 -21.566 -8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.934 -22.112 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.362 -21.182 -8.208 1.00 0.00 H new ATOM 813 N GLU A 109 7.833 -19.456 -2.839 1.00 0.00 N ATOM 814 CA GLU A 109 6.383 -19.437 -2.987 1.00 0.00 C ATOM 815 C GLU A 109 5.736 -18.587 -1.897 1.00 0.00 C ATOM 816 O GLU A 109 4.725 -18.974 -1.309 1.00 0.00 O ATOM 817 CB GLU A 109 5.824 -20.861 -2.937 1.00 0.00 C ATOM 818 CG GLU A 109 6.339 -21.756 -4.051 1.00 0.00 C ATOM 819 CD GLU A 109 5.906 -23.200 -3.886 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.695 -23.475 -4.025 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.776 -24.055 -3.619 1.00 0.00 O ATOM 0 H GLU A 109 8.174 -20.074 -2.103 1.00 0.00 H new ATOM 0 HA GLU A 109 6.148 -18.996 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.078 -21.308 -1.976 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.736 -20.817 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.980 -21.380 -5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.428 -21.708 -4.077 1.00 0.00 H new ATOM 828 N CYS A 110 6.327 -17.427 -1.631 1.00 0.00 N ATOM 829 CA CYS A 110 5.811 -16.521 -0.612 1.00 0.00 C ATOM 830 C CYS A 110 4.557 -15.804 -1.106 1.00 0.00 C ATOM 831 O CYS A 110 4.588 -15.038 -2.069 1.00 0.00 O ATOM 832 CB CYS A 110 6.878 -15.496 -0.224 1.00 0.00 C ATOM 833 SG CYS A 110 6.680 -14.814 1.454 1.00 0.00 S ATOM 0 H CYS A 110 7.164 -17.092 -2.108 1.00 0.00 H new ATOM 0 HA CYS A 110 5.548 -17.112 0.265 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.860 -15.963 -0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.857 -14.676 -0.942 1.00 0.00 H new ATOM 838 N PRO A 111 3.427 -16.058 -0.430 1.00 0.00 N ATOM 839 CA PRO A 111 2.141 -15.447 -0.781 1.00 0.00 C ATOM 840 C PRO A 111 2.106 -13.954 -0.473 1.00 0.00 C ATOM 841 O PRO A 111 1.075 -13.301 -0.634 1.00 0.00 O ATOM 842 CB PRO A 111 1.139 -16.198 0.099 1.00 0.00 C ATOM 843 CG PRO A 111 1.940 -16.674 1.262 1.00 0.00 C ATOM 844 CD PRO A 111 3.316 -16.960 0.728 1.00 0.00 C ATOM 0 HA PRO A 111 1.932 -15.522 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.326 -15.546 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.687 -17.032 -0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.975 -15.918 2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.498 -17.569 1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.086 -16.756 1.472 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.424 -18.004 0.436 1.00 0.00 H new ATOM 852 N PHE A 112 3.239 -13.419 -0.031 1.00 0.00 N ATOM 853 CA PHE A 112 3.337 -12.002 0.300 1.00 0.00 C ATOM 854 C PHE A 112 4.109 -11.244 -0.776 1.00 0.00 C ATOM 855 O PHE A 112 4.751 -11.848 -1.637 1.00 0.00 O ATOM 856 CB PHE A 112 4.020 -11.819 1.657 1.00 0.00 C ATOM 857 CG PHE A 112 3.110 -12.070 2.825 1.00 0.00 C ATOM 858 CD1 PHE A 112 2.077 -11.194 3.116 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.287 -13.183 3.632 1.00 0.00 C ATOM 860 CE1 PHE A 112 1.238 -11.422 4.190 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.450 -13.416 4.707 1.00 0.00 C ATOM 862 CZ PHE A 112 1.425 -12.534 4.987 1.00 0.00 C ATOM 0 H PHE A 112 4.102 -13.945 0.106 1.00 0.00 H new ATOM 0 HA PHE A 112 2.327 -11.596 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.873 -12.495 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.412 -10.804 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.926 -10.323 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.088 -13.876 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.437 -10.731 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.598 -14.287 5.328 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.771 -12.714 5.828 1.00 0.00 H new ATOM 872 N LEU A 113 4.040 -9.919 -0.723 1.00 0.00 N ATOM 873 CA LEU A 113 4.732 -9.077 -1.693 1.00 0.00 C ATOM 874 C LEU A 113 6.181 -8.846 -1.278 1.00 0.00 C ATOM 875 O LEU A 113 6.471 -8.598 -0.107 1.00 0.00 O ATOM 876 CB LEU A 113 4.011 -7.736 -1.839 1.00 0.00 C ATOM 877 CG LEU A 113 2.588 -7.795 -2.397 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.598 -8.141 -1.296 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.218 -6.474 -3.055 1.00 0.00 C ATOM 0 H LEU A 113 3.512 -9.404 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 113 4.727 -9.592 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.976 -7.257 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.608 -7.094 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 113 2.546 -8.578 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.591 -8.179 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.852 -9.112 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.641 -7.381 -0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.202 -6.534 -3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.276 -5.672 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.910 -6.268 -3.872 1.00 0.00 H new ATOM 891 N HIS A 114 7.089 -8.926 -2.246 1.00 0.00 N ATOM 892 CA HIS A 114 8.509 -8.723 -1.982 1.00 0.00 C ATOM 893 C HIS A 114 9.007 -7.444 -2.648 1.00 0.00 C ATOM 894 O HIS A 114 9.319 -7.435 -3.840 1.00 0.00 O ATOM 895 CB HIS A 114 9.318 -9.921 -2.480 1.00 0.00 C ATOM 896 CG HIS A 114 9.471 -11.007 -1.460 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.994 -12.248 -1.755 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.166 -11.032 -0.141 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.003 -12.990 -0.662 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.507 -12.275 0.332 1.00 0.00 N ATOM 0 H HIS A 114 6.866 -9.130 -3.220 1.00 0.00 H new ATOM 0 HA HIS A 114 8.644 -8.627 -0.905 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.835 -10.332 -3.366 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.307 -9.579 -2.786 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.323 -12.547 -2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.735 -10.225 0.432 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.356 -14.008 -0.593 1.00 0.00 H new ATOM 908 N ILE A 115 9.079 -6.368 -1.872 1.00 0.00 N ATOM 909 CA ILE A 115 9.540 -5.085 -2.388 1.00 0.00 C ATOM 910 C ILE A 115 10.995 -4.830 -2.007 1.00 0.00 C ATOM 911 O ILE A 115 11.380 -4.985 -0.848 1.00 0.00 O ATOM 912 CB ILE A 115 8.674 -3.924 -1.865 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.209 -4.138 -2.251 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.182 -2.597 -2.409 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.258 -3.177 -1.573 1.00 0.00 C ATOM 0 H ILE A 115 8.824 -6.359 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 115 9.454 -5.132 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 115 8.744 -3.899 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.108 -4.035 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.921 -5.159 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.560 -1.786 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 115 10.213 -2.443 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.138 -2.610 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.238 -3.388 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.330 -3.296 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.520 -2.154 -1.844 1.00 0.00 H new ATOM 927 N ASP A 116 11.798 -4.437 -2.990 1.00 0.00 N ATOM 928 CA ASP A 116 13.210 -4.158 -2.758 1.00 0.00 C ATOM 929 C ASP A 116 13.382 -3.069 -1.703 1.00 0.00 C ATOM 930 O ASP A 116 12.640 -2.088 -1.662 1.00 0.00 O ATOM 931 CB ASP A 116 13.889 -3.734 -4.062 1.00 0.00 C ATOM 932 CG ASP A 116 15.360 -4.100 -4.094 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.682 -5.286 -3.870 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.189 -3.201 -4.344 1.00 0.00 O ATOM 0 H ASP A 116 11.495 -4.305 -3.955 1.00 0.00 H new ATOM 0 HA ASP A 116 13.681 -5.071 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.382 -4.207 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.783 -2.657 -4.190 1.00 0.00 H new ATOM 939 N PRO A 117 14.385 -3.245 -0.830 1.00 0.00 N ATOM 940 CA PRO A 117 14.678 -2.288 0.242 1.00 0.00 C ATOM 941 C PRO A 117 15.242 -0.975 -0.292 1.00 0.00 C ATOM 942 O PRO A 117 15.573 -0.074 0.478 1.00 0.00 O ATOM 943 CB PRO A 117 15.724 -3.015 1.090 1.00 0.00 C ATOM 944 CG PRO A 117 16.378 -3.968 0.150 1.00 0.00 C ATOM 945 CD PRO A 117 15.309 -4.391 -0.820 1.00 0.00 C ATOM 0 HA PRO A 117 13.782 -2.008 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 117 16.447 -2.316 1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 117 15.261 -3.539 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 117 17.211 -3.494 -0.369 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.783 -4.828 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.719 -4.585 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.812 -5.305 -0.496 1.00 0.00 H new ATOM 953 N GLU A 118 15.348 -0.876 -1.613 1.00 0.00 N ATOM 954 CA GLU A 118 15.873 0.328 -2.248 1.00 0.00 C ATOM 955 C GLU A 118 14.739 1.242 -2.703 1.00 0.00 C ATOM 956 O GLU A 118 14.932 2.443 -2.888 1.00 0.00 O ATOM 957 CB GLU A 118 16.755 -0.042 -3.442 1.00 0.00 C ATOM 958 CG GLU A 118 17.914 -0.956 -3.083 1.00 0.00 C ATOM 959 CD GLU A 118 19.112 -0.765 -3.994 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.266 0.346 -4.544 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.894 -1.724 -4.156 1.00 0.00 O ATOM 0 H GLU A 118 15.078 -1.613 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 118 16.474 0.863 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.141 -0.529 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 118 17.148 0.871 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 118 18.213 -0.769 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.584 -1.993 -3.136 1.00 0.00 H new ATOM 968 N SER A 119 13.556 0.663 -2.882 1.00 0.00 N ATOM 969 CA SER A 119 12.391 1.423 -3.319 1.00 0.00 C ATOM 970 C SER A 119 11.751 2.160 -2.146 1.00 0.00 C ATOM 971 O SER A 119 11.204 3.251 -2.306 1.00 0.00 O ATOM 972 CB SER A 119 11.366 0.495 -3.974 1.00 0.00 C ATOM 973 OG SER A 119 10.623 -0.214 -2.998 1.00 0.00 O ATOM 0 H SER A 119 13.379 -0.330 -2.731 1.00 0.00 H new ATOM 0 HA SER A 119 12.723 2.160 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.689 1.079 -4.598 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.876 -0.210 -4.630 1.00 0.00 H new ATOM 0 HG SER A 119 9.826 0.302 -2.755 1.00 0.00 H new ATOM 979 N LYS A 120 11.823 1.554 -0.966 1.00 0.00 N ATOM 980 CA LYS A 120 11.253 2.150 0.237 1.00 0.00 C ATOM 981 C LYS A 120 12.315 2.911 1.023 1.00 0.00 C ATOM 982 O LYS A 120 12.845 2.410 2.015 1.00 0.00 O ATOM 983 CB LYS A 120 10.628 1.068 1.120 1.00 0.00 C ATOM 984 CG LYS A 120 9.741 0.098 0.358 1.00 0.00 C ATOM 985 CD LYS A 120 9.666 -1.252 1.051 1.00 0.00 C ATOM 986 CE LYS A 120 8.803 -1.188 2.302 1.00 0.00 C ATOM 987 NZ LYS A 120 7.366 -1.430 1.997 1.00 0.00 N ATOM 0 H LYS A 120 12.271 0.650 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 120 10.479 2.854 -0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.423 0.509 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 120 10.040 1.545 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.739 0.516 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.127 -0.032 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.258 -1.993 0.364 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.670 -1.582 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 120 9.151 -1.929 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.915 -0.210 2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.811 -1.378 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.026 -0.708 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.255 -2.373 1.573 1.00 0.00 H new ATOM 1001 N ILE A 121 12.621 4.124 0.575 1.00 0.00 N ATOM 1002 CA ILE A 121 13.618 4.955 1.239 1.00 0.00 C ATOM 1003 C ILE A 121 13.005 6.261 1.733 1.00 0.00 C ATOM 1004 O ILE A 121 12.107 6.817 1.100 1.00 0.00 O ATOM 1005 CB ILE A 121 14.797 5.277 0.301 1.00 0.00 C ATOM 1006 CG1 ILE A 121 15.540 3.994 -0.078 1.00 0.00 C ATOM 1007 CG2 ILE A 121 15.743 6.268 0.962 1.00 0.00 C ATOM 1008 CD1 ILE A 121 16.186 3.299 1.099 1.00 0.00 C ATOM 0 H ILE A 121 12.193 4.553 -0.245 1.00 0.00 H new ATOM 0 HA ILE A 121 13.987 4.385 2.091 1.00 0.00 H new ATOM 0 HB ILE A 121 14.405 5.730 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.842 3.307 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 121 16.307 4.232 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.571 6.486 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.206 7.189 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 121 16.131 5.840 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 121 16.694 2.398 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.909 3.968 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.421 3.029 1.827 1.00 0.00 H new ATOM 1020 N LYS A 122 13.496 6.746 2.868 1.00 0.00 N ATOM 1021 CA LYS A 122 13.000 7.989 3.447 1.00 0.00 C ATOM 1022 C LYS A 122 13.694 9.196 2.823 1.00 0.00 C ATOM 1023 O LYS A 122 13.041 10.088 2.281 1.00 0.00 O ATOM 1024 CB LYS A 122 13.215 7.991 4.962 1.00 0.00 C ATOM 1025 CG LYS A 122 12.748 9.267 5.641 1.00 0.00 C ATOM 1026 CD LYS A 122 13.866 10.291 5.733 1.00 0.00 C ATOM 1027 CE LYS A 122 14.734 10.061 6.961 1.00 0.00 C ATOM 1028 NZ LYS A 122 15.684 11.185 7.188 1.00 0.00 N ATOM 0 H LYS A 122 14.237 6.297 3.406 1.00 0.00 H new ATOM 0 HA LYS A 122 11.933 8.057 3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 122 12.685 7.143 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 122 14.275 7.846 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.911 9.690 5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.383 9.035 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 122 14.483 10.239 4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 122 13.440 11.294 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.098 9.941 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 122 15.292 9.132 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 16.257 10.990 8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 16.308 11.284 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 15.151 12.067 7.327 1.00 0.00 H new ATOM 1042 N ASP A 123 15.020 9.216 2.902 1.00 0.00 N ATOM 1043 CA ASP A 123 15.803 10.312 2.342 1.00 0.00 C ATOM 1044 C ASP A 123 15.146 10.859 1.079 1.00 0.00 C ATOM 1045 O ASP A 123 15.043 12.072 0.896 1.00 0.00 O ATOM 1046 CB ASP A 123 17.225 9.844 2.031 1.00 0.00 C ATOM 1047 CG ASP A 123 18.240 10.965 2.138 1.00 0.00 C ATOM 1048 OD1 ASP A 123 17.845 12.140 1.986 1.00 0.00 O ATOM 1049 OD2 ASP A 123 19.429 10.668 2.376 1.00 0.00 O ATOM 0 H ASP A 123 15.575 8.486 3.348 1.00 0.00 H new ATOM 0 HA ASP A 123 15.846 11.111 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 123 17.499 9.043 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 123 17.255 9.426 1.025 1.00 0.00 H new ATOM 1054 N CYS A 124 14.705 9.956 0.209 1.00 0.00 N ATOM 1055 CA CYS A 124 14.060 10.348 -1.039 1.00 0.00 C ATOM 1056 C CYS A 124 13.076 11.490 -0.807 1.00 0.00 C ATOM 1057 O CYS A 124 12.662 11.766 0.319 1.00 0.00 O ATOM 1058 CB CYS A 124 13.336 9.153 -1.660 1.00 0.00 C ATOM 1059 SG CYS A 124 14.326 8.233 -2.861 1.00 0.00 S ATOM 0 H CYS A 124 14.783 8.948 0.345 1.00 0.00 H new ATOM 0 HA CYS A 124 14.833 10.692 -1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 124 13.027 8.475 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 124 12.428 9.506 -2.148 1.00 0.00 H new ATOM 0 HG CYS A 124 13.629 7.241 -3.329 1.00 0.00 H new ATOM 1065 N PRO A 125 12.694 12.173 -1.896 1.00 0.00 N ATOM 1066 CA PRO A 125 11.755 13.297 -1.837 1.00 0.00 C ATOM 1067 C PRO A 125 10.336 12.851 -1.499 1.00 0.00 C ATOM 1068 O PRO A 125 9.408 13.658 -1.487 1.00 0.00 O ATOM 1069 CB PRO A 125 11.809 13.879 -3.252 1.00 0.00 C ATOM 1070 CG PRO A 125 12.230 12.740 -4.114 1.00 0.00 C ATOM 1071 CD PRO A 125 13.148 11.899 -3.270 1.00 0.00 C ATOM 0 HA PRO A 125 12.022 14.010 -1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 125 10.838 14.269 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 125 12.517 14.705 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 125 11.367 12.163 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 125 12.740 13.096 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 125 13.064 10.841 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 125 14.192 12.178 -3.411 1.00 0.00 H new ATOM 1079 N TRP A 126 10.177 11.561 -1.223 1.00 0.00 N ATOM 1080 CA TRP A 126 8.871 11.008 -0.883 1.00 0.00 C ATOM 1081 C TRP A 126 8.602 11.126 0.613 1.00 0.00 C ATOM 1082 O TRP A 126 9.341 10.577 1.431 1.00 0.00 O ATOM 1083 CB TRP A 126 8.787 9.543 -1.315 1.00 0.00 C ATOM 1084 CG TRP A 126 9.504 9.261 -2.601 1.00 0.00 C ATOM 1085 CD1 TRP A 126 10.337 8.210 -2.860 1.00 0.00 C ATOM 1086 CD2 TRP A 126 9.453 10.041 -3.800 1.00 0.00 C ATOM 1087 NE1 TRP A 126 10.807 8.291 -4.149 1.00 0.00 N ATOM 1088 CE2 TRP A 126 10.279 9.404 -4.747 1.00 0.00 C ATOM 1089 CE3 TRP A 126 8.788 11.214 -4.167 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 10.457 9.903 -6.034 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 8.966 11.708 -5.445 1.00 0.00 C ATOM 1092 CH2 TRP A 126 9.794 11.053 -6.367 1.00 0.00 C ATOM 0 H TRP A 126 10.936 10.879 -1.228 1.00 0.00 H new ATOM 0 HA TRP A 126 8.112 11.581 -1.415 1.00 0.00 H new ATOM 0 HB2 TRP A 126 9.206 8.915 -0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 126 7.739 9.263 -1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 126 10.589 7.431 -2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 126 11.446 7.629 -4.589 1.00 0.00 H new ATOM 0 HE3 TRP A 126 8.147 11.725 -3.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 11.096 9.400 -6.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 8.458 12.615 -5.739 1.00 0.00 H new ATOM 0 HH2 TRP A 126 9.911 11.464 -7.359 1.00 0.00 H new ATOM 1103 N SER A 127 7.541 11.845 0.964 1.00 0.00 N ATOM 1104 CA SER A 127 7.178 12.037 2.363 1.00 0.00 C ATOM 1105 C SER A 127 5.747 12.554 2.487 1.00 0.00 C ATOM 1106 O SER A 127 5.062 12.763 1.487 1.00 0.00 O ATOM 1107 CB SER A 127 8.144 13.015 3.034 1.00 0.00 C ATOM 1108 OG SER A 127 9.378 12.387 3.336 1.00 0.00 O ATOM 0 H SER A 127 6.918 12.304 0.299 1.00 0.00 H new ATOM 0 HA SER A 127 7.243 11.071 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.317 13.868 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.696 13.403 3.949 1.00 0.00 H new ATOM 0 HG SER A 127 9.401 11.497 2.926 1.00 0.00 H new ATOM 1114 N GLY A 128 5.303 12.757 3.723 1.00 0.00 N ATOM 1115 CA GLY A 128 3.956 13.246 3.957 1.00 0.00 C ATOM 1116 C GLY A 128 3.020 12.158 4.442 1.00 0.00 C ATOM 1117 O GLY A 128 3.367 11.349 5.303 1.00 0.00 O ATOM 0 H GLY A 128 5.851 12.592 4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 128 3.987 14.049 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.563 13.674 3.035 1.00 0.00 H new ATOM 1121 N PRO A 129 1.800 12.130 3.885 1.00 0.00 N ATOM 1122 CA PRO A 129 0.785 11.138 4.252 1.00 0.00 C ATOM 1123 C PRO A 129 1.144 9.736 3.773 1.00 0.00 C ATOM 1124 O PRO A 129 0.909 8.751 4.472 1.00 0.00 O ATOM 1125 CB PRO A 129 -0.475 11.640 3.542 1.00 0.00 C ATOM 1126 CG PRO A 129 0.032 12.436 2.390 1.00 0.00 C ATOM 1127 CD PRO A 129 1.318 13.063 2.853 1.00 0.00 C ATOM 0 HA PRO A 129 0.675 11.049 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -1.098 10.811 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -1.087 12.250 4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 129 0.199 11.801 1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.689 13.198 2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 129 2.033 13.163 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 129 1.155 14.062 3.258 1.00 0.00 H new ATOM 1135 N SER A 130 1.715 9.653 2.575 1.00 0.00 N ATOM 1136 CA SER A 130 2.104 8.370 2.001 1.00 0.00 C ATOM 1137 C SER A 130 3.393 8.504 1.195 1.00 0.00 C ATOM 1138 O SER A 130 3.487 9.330 0.287 1.00 0.00 O ATOM 1139 CB SER A 130 0.986 7.827 1.109 1.00 0.00 C ATOM 1140 OG SER A 130 0.689 8.729 0.056 1.00 0.00 O ATOM 0 H SER A 130 1.918 10.459 1.984 1.00 0.00 H new ATOM 0 HA SER A 130 2.278 7.671 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.283 6.864 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 130 0.091 7.654 1.707 1.00 0.00 H new ATOM 0 HG SER A 130 1.467 9.300 -0.115 1.00 0.00 H new ATOM 1146 N SER A 131 4.383 7.686 1.535 1.00 0.00 N ATOM 1147 CA SER A 131 5.668 7.714 0.847 1.00 0.00 C ATOM 1148 C SER A 131 6.122 6.303 0.484 1.00 0.00 C ATOM 1149 O SER A 131 6.576 6.053 -0.631 1.00 0.00 O ATOM 1150 CB SER A 131 6.724 8.392 1.722 1.00 0.00 C ATOM 1151 OG SER A 131 8.025 7.929 1.402 1.00 0.00 O ATOM 0 H SER A 131 4.320 6.995 2.283 1.00 0.00 H new ATOM 0 HA SER A 131 5.547 8.286 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.675 9.472 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.512 8.194 2.773 1.00 0.00 H new ATOM 0 HG SER A 131 8.669 8.659 1.515 1.00 0.00 H new ATOM 1157 N GLY A 132 5.994 5.384 1.436 1.00 0.00 N ATOM 1158 CA GLY A 132 6.394 4.009 1.198 1.00 0.00 C ATOM 1159 C GLY A 132 7.424 3.524 2.199 1.00 0.00 C ATOM 1160 O GLY A 132 7.781 4.277 3.104 1.00 0.00 O ATOM 0 H GLY A 132 5.621 5.567 2.367 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.516 3.365 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.801 3.921 0.191 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -14.251 -10.394 7.598 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.321 -13.274 2.073 1.00 0.00 ZN