USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 538 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 75 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 1.2: A 79 TYR OH : rot 10:sc= 1.64 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-6.1!) USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.277 USER MOD Single : A 7 SER OG : rot 180:sc= -0.703 USER MOD Single : A 8 THR OG1 : rot -71:sc= -0.225 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.145) USER MOD Single : A 40 MET CE :methyl -137:sc= -0.0357 (180deg=-0.229) USER MOD Single : A 41 THR OG1 : rot -61:sc= 0.152 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -158:sc= -0.0307 (180deg=-0.247) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.567 USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.761 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 10.379 2.266 -5.407 1.00 1.53 N ATOM 57 CA LEU A 4 9.263 1.585 -6.039 1.00 0.75 C ATOM 58 C LEU A 4 9.166 2.022 -7.501 1.00 0.62 C ATOM 59 O LEU A 4 8.751 3.142 -7.793 1.00 0.69 O ATOM 60 CB LEU A 4 7.976 1.814 -5.243 1.00 1.03 C ATOM 61 CG LEU A 4 6.704 1.201 -5.832 1.00 0.58 C ATOM 62 CD1 LEU A 4 5.894 2.251 -6.597 1.00 0.99 C ATOM 63 CD2 LEU A 4 7.033 -0.014 -6.702 1.00 0.92 C ATOM 0 HA LEU A 4 9.425 0.507 -6.038 1.00 0.75 H new ATOM 0 HB2 LEU A 4 8.117 1.413 -4.239 1.00 1.03 H new ATOM 0 HB3 LEU A 4 7.823 2.888 -5.139 1.00 1.03 H new ATOM 0 HG LEU A 4 6.081 0.849 -5.010 1.00 0.58 H new ATOM 0 HD11 LEU A 4 4.995 1.790 -7.006 1.00 0.99 H new ATOM 0 HD12 LEU A 4 5.613 3.058 -5.920 1.00 0.99 H new ATOM 0 HD13 LEU A 4 6.497 2.654 -7.411 1.00 0.99 H new ATOM 0 HD21 LEU A 4 6.111 -0.431 -7.108 1.00 0.92 H new ATOM 0 HD22 LEU A 4 7.685 0.290 -7.520 1.00 0.92 H new ATOM 0 HD23 LEU A 4 7.537 -0.768 -6.098 1.00 0.92 H new ATOM 75 N VAL A 5 9.557 1.114 -8.384 1.00 0.51 N ATOM 76 CA VAL A 5 9.519 1.390 -9.810 1.00 0.48 C ATOM 77 C VAL A 5 8.128 1.901 -10.189 1.00 0.46 C ATOM 78 O VAL A 5 7.965 3.070 -10.535 1.00 0.50 O ATOM 79 CB VAL A 5 9.935 0.145 -10.596 1.00 0.53 C ATOM 80 CG1 VAL A 5 9.654 0.321 -12.090 1.00 0.67 C ATOM 81 CG2 VAL A 5 11.407 -0.192 -10.351 1.00 0.65 C ATOM 0 H VAL A 5 9.902 0.186 -8.139 1.00 0.51 H new ATOM 0 HA VAL A 5 10.233 2.172 -10.067 1.00 0.48 H new ATOM 0 HB VAL A 5 9.336 -0.693 -10.239 1.00 0.53 H new ATOM 0 HG11 VAL A 5 9.959 -0.578 -12.626 1.00 0.67 H new ATOM 0 HG12 VAL A 5 8.588 0.490 -12.242 1.00 0.67 H new ATOM 0 HG13 VAL A 5 10.215 1.176 -12.467 1.00 0.67 H new ATOM 0 HG21 VAL A 5 11.677 -1.081 -10.921 1.00 0.65 H new ATOM 0 HG22 VAL A 5 12.029 0.645 -10.668 1.00 0.65 H new ATOM 0 HG23 VAL A 5 11.565 -0.380 -9.289 1.00 0.65 H new ATOM 91 N SER A 6 7.160 0.999 -10.113 1.00 0.46 N ATOM 92 CA SER A 6 5.788 1.343 -10.443 1.00 0.49 C ATOM 93 C SER A 6 4.823 0.423 -9.695 1.00 0.39 C ATOM 94 O SER A 6 5.189 -0.687 -9.311 1.00 0.37 O ATOM 95 CB SER A 6 5.547 1.252 -11.951 1.00 0.60 C ATOM 96 OG SER A 6 6.586 1.879 -12.698 1.00 0.94 O ATOM 0 H SER A 6 7.299 0.030 -9.827 1.00 0.46 H new ATOM 0 HA SER A 6 5.609 2.373 -10.134 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.472 0.205 -12.243 1.00 0.60 H new ATOM 0 HB3 SER A 6 4.593 1.720 -12.194 1.00 0.60 H new ATOM 0 HG SER A 6 6.395 1.798 -13.656 1.00 0.94 H new ATOM 102 N SER A 7 3.607 0.918 -9.510 1.00 0.36 N ATOM 103 CA SER A 7 2.586 0.153 -8.814 1.00 0.32 C ATOM 104 C SER A 7 1.196 0.644 -9.222 1.00 0.33 C ATOM 105 O SER A 7 1.065 1.682 -9.868 1.00 0.35 O ATOM 106 CB SER A 7 2.760 0.255 -7.297 1.00 0.38 C ATOM 107 OG SER A 7 2.698 1.603 -6.841 1.00 0.49 O ATOM 0 H SER A 7 3.306 1.839 -9.830 1.00 0.36 H new ATOM 0 HA SER A 7 2.692 -0.895 -9.096 1.00 0.32 H new ATOM 0 HB2 SER A 7 1.984 -0.331 -6.803 1.00 0.38 H new ATOM 0 HB3 SER A 7 3.718 -0.180 -7.012 1.00 0.38 H new ATOM 0 HG SER A 7 2.812 1.625 -5.868 1.00 0.49 H new ATOM 113 N THR A 8 0.192 -0.126 -8.827 1.00 0.33 N ATOM 114 CA THR A 8 -1.184 0.218 -9.144 1.00 0.37 C ATOM 115 C THR A 8 -2.085 -0.017 -7.931 1.00 0.39 C ATOM 116 O THR A 8 -3.056 -0.769 -8.010 1.00 0.41 O ATOM 117 CB THR A 8 -1.600 -0.588 -10.376 1.00 0.39 C ATOM 118 OG1 THR A 8 -0.385 -0.778 -11.095 1.00 0.99 O ATOM 119 CG2 THR A 8 -2.478 0.220 -11.335 1.00 0.82 C ATOM 0 H THR A 8 0.304 -0.986 -8.291 1.00 0.33 H new ATOM 0 HA THR A 8 -1.283 1.277 -9.382 1.00 0.37 H new ATOM 0 HB THR A 8 -2.136 -1.483 -10.059 1.00 0.39 H new ATOM 0 HG1 THR A 8 -0.100 0.074 -11.487 1.00 0.99 H new ATOM 0 HG21 THR A 8 -2.745 -0.398 -12.192 1.00 0.82 H new ATOM 0 HG22 THR A 8 -3.385 0.536 -10.819 1.00 0.82 H new ATOM 0 HG23 THR A 8 -1.930 1.098 -11.678 1.00 0.82 H new ATOM 127 N PRO A 9 -1.724 0.658 -6.807 1.00 0.39 N ATOM 128 CA PRO A 9 -2.488 0.530 -5.579 1.00 0.43 C ATOM 129 C PRO A 9 -3.803 1.310 -5.667 1.00 0.46 C ATOM 130 O PRO A 9 -4.880 0.718 -5.691 1.00 0.51 O ATOM 131 CB PRO A 9 -1.566 1.043 -4.485 1.00 0.44 C ATOM 132 CG PRO A 9 -0.501 1.867 -5.191 1.00 0.42 C ATOM 133 CD PRO A 9 -0.582 1.558 -6.677 1.00 0.39 C ATOM 0 HA PRO A 9 -2.789 -0.498 -5.377 1.00 0.43 H new ATOM 0 HB2 PRO A 9 -2.115 1.649 -3.764 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -1.118 0.217 -3.932 1.00 0.44 H new ATOM 0 HG2 PRO A 9 -0.661 2.930 -5.013 1.00 0.42 H new ATOM 0 HG3 PRO A 9 0.489 1.624 -4.804 1.00 0.42 H new ATOM 0 HD2 PRO A 9 -0.725 2.466 -7.263 1.00 0.39 H new ATOM 0 HD3 PRO A 9 0.335 1.089 -7.034 1.00 0.39 H new ATOM 141 N ALA A 10 -3.669 2.628 -5.712 1.00 0.46 N ATOM 142 CA ALA A 10 -4.832 3.495 -5.798 1.00 0.50 C ATOM 143 C ALA A 10 -4.371 4.952 -5.866 1.00 0.53 C ATOM 144 O ALA A 10 -4.930 5.816 -5.189 1.00 0.52 O ATOM 145 CB ALA A 10 -5.755 3.230 -4.606 1.00 0.45 C ATOM 0 H ALA A 10 -2.774 3.116 -5.691 1.00 0.46 H new ATOM 0 HA ALA A 10 -5.401 3.286 -6.704 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -6.628 3.880 -4.670 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -6.077 2.189 -4.619 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -5.219 3.432 -3.679 1.00 0.45 H new ATOM 151 N GLU A 11 -3.358 5.182 -6.687 1.00 0.61 N ATOM 152 CA GLU A 11 -2.816 6.520 -6.852 1.00 0.71 C ATOM 153 C GLU A 11 -3.949 7.547 -6.919 1.00 0.74 C ATOM 154 O GLU A 11 -4.625 7.664 -7.940 1.00 0.81 O ATOM 155 CB GLU A 11 -1.927 6.603 -8.094 1.00 0.87 C ATOM 156 CG GLU A 11 -0.484 6.939 -7.715 1.00 0.88 C ATOM 157 CD GLU A 11 0.203 7.738 -8.823 1.00 1.66 C ATOM 158 OE1 GLU A 11 0.276 7.272 -9.969 1.00 2.27 O ATOM 159 OE2 GLU A 11 0.673 8.884 -8.459 1.00 2.87 O ATOM 0 H GLU A 11 -2.897 4.464 -7.246 1.00 0.61 H new ATOM 0 HA GLU A 11 -2.195 6.748 -5.986 1.00 0.71 H new ATOM 0 HB2 GLU A 11 -1.954 5.654 -8.629 1.00 0.87 H new ATOM 0 HB3 GLU A 11 -2.315 7.363 -8.773 1.00 0.87 H new ATOM 0 HG2 GLU A 11 -0.472 7.512 -6.788 1.00 0.88 H new ATOM 0 HG3 GLU A 11 0.070 6.019 -7.528 1.00 0.88 H new ATOM 166 N GLY A 12 -4.119 8.265 -5.818 1.00 0.71 N ATOM 167 CA GLY A 12 -5.159 9.277 -5.740 1.00 0.75 C ATOM 168 C GLY A 12 -6.479 8.754 -6.309 1.00 0.76 C ATOM 169 O GLY A 12 -7.237 9.507 -6.919 1.00 0.92 O ATOM 0 H GLY A 12 -3.555 8.166 -4.974 1.00 0.71 H new ATOM 0 HA2 GLY A 12 -5.301 9.578 -4.702 1.00 0.75 H new ATOM 0 HA3 GLY A 12 -4.849 10.165 -6.290 1.00 0.75 H new ATOM 173 N SER A 13 -6.713 7.468 -6.090 1.00 0.68 N ATOM 174 CA SER A 13 -7.928 6.836 -6.574 1.00 0.76 C ATOM 175 C SER A 13 -9.135 7.354 -5.790 1.00 0.58 C ATOM 176 O SER A 13 -9.390 6.911 -4.671 1.00 0.50 O ATOM 177 CB SER A 13 -7.838 5.313 -6.463 1.00 0.93 C ATOM 178 OG SER A 13 -8.150 4.669 -7.696 1.00 1.56 O ATOM 0 H SER A 13 -6.082 6.847 -5.584 1.00 0.68 H new ATOM 0 HA SER A 13 -8.050 7.090 -7.627 1.00 0.76 H new ATOM 0 HB2 SER A 13 -6.832 5.031 -6.151 1.00 0.93 H new ATOM 0 HB3 SER A 13 -8.522 4.965 -5.689 1.00 0.93 H new ATOM 0 HG SER A 13 -8.080 3.698 -7.585 1.00 1.56 H new ATOM 184 N GLU A 14 -9.847 8.284 -6.408 1.00 0.63 N ATOM 185 CA GLU A 14 -11.022 8.867 -5.783 1.00 0.61 C ATOM 186 C GLU A 14 -12.288 8.432 -6.521 1.00 0.70 C ATOM 187 O GLU A 14 -12.464 8.742 -7.698 1.00 0.81 O ATOM 188 CB GLU A 14 -10.915 10.393 -5.731 1.00 0.75 C ATOM 189 CG GLU A 14 -9.578 10.829 -5.129 1.00 0.82 C ATOM 190 CD GLU A 14 -9.273 12.289 -5.472 1.00 1.05 C ATOM 191 OE1 GLU A 14 -10.184 13.129 -5.472 1.00 1.20 O ATOM 192 OE2 GLU A 14 -8.037 12.537 -5.745 1.00 1.83 O ATOM 0 H GLU A 14 -9.633 8.649 -7.336 1.00 0.63 H new ATOM 0 HA GLU A 14 -11.081 8.504 -4.757 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -11.016 10.803 -6.736 1.00 0.75 H new ATOM 0 HB3 GLU A 14 -11.734 10.799 -5.138 1.00 0.75 H new ATOM 0 HG2 GLU A 14 -9.604 10.704 -4.047 1.00 0.82 H new ATOM 0 HG3 GLU A 14 -8.780 10.189 -5.505 1.00 0.82 H new ATOM 199 N GLY A 15 -13.140 7.716 -5.799 1.00 0.73 N ATOM 200 CA GLY A 15 -14.385 7.234 -6.370 1.00 0.91 C ATOM 201 C GLY A 15 -14.838 5.941 -5.689 1.00 0.67 C ATOM 202 O GLY A 15 -16.027 5.750 -5.439 1.00 0.80 O ATOM 0 H GLY A 15 -12.991 7.459 -4.823 1.00 0.73 H new ATOM 0 HA2 GLY A 15 -15.157 7.996 -6.262 1.00 0.91 H new ATOM 0 HA3 GLY A 15 -14.256 7.060 -7.438 1.00 0.91 H new ATOM 206 N ALA A 16 -13.864 5.088 -5.407 1.00 0.72 N ATOM 207 CA ALA A 16 -14.147 3.819 -4.759 1.00 0.83 C ATOM 208 C ALA A 16 -12.830 3.100 -4.456 1.00 1.16 C ATOM 209 O ALA A 16 -11.794 3.427 -5.033 1.00 1.78 O ATOM 210 CB ALA A 16 -15.073 2.985 -5.649 1.00 1.13 C ATOM 0 H ALA A 16 -12.879 5.251 -5.615 1.00 0.72 H new ATOM 0 HA ALA A 16 -14.662 3.980 -3.812 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -15.285 2.033 -5.162 1.00 1.13 H new ATOM 0 HB2 ALA A 16 -16.006 3.525 -5.811 1.00 1.13 H new ATOM 0 HB3 ALA A 16 -14.588 2.802 -6.608 1.00 1.13 H new ATOM 216 N ALA A 17 -12.913 2.137 -3.550 1.00 0.93 N ATOM 217 CA ALA A 17 -11.741 1.371 -3.163 1.00 1.25 C ATOM 218 C ALA A 17 -11.470 0.294 -4.216 1.00 1.07 C ATOM 219 O ALA A 17 -12.398 -0.351 -4.701 1.00 1.02 O ATOM 220 CB ALA A 17 -11.954 0.781 -1.768 1.00 1.68 C ATOM 0 H ALA A 17 -13.774 1.870 -3.073 1.00 0.93 H new ATOM 0 HA ALA A 17 -10.862 2.014 -3.115 1.00 1.25 H new ATOM 0 HB1 ALA A 17 -11.074 0.206 -1.478 1.00 1.68 H new ATOM 0 HB2 ALA A 17 -12.113 1.588 -1.052 1.00 1.68 H new ATOM 0 HB3 ALA A 17 -12.827 0.128 -1.778 1.00 1.68 H new ATOM 226 N PRO A 18 -10.162 0.130 -4.547 1.00 1.05 N ATOM 227 CA PRO A 18 -9.757 -0.858 -5.532 1.00 0.96 C ATOM 228 C PRO A 18 -9.824 -2.272 -4.951 1.00 0.93 C ATOM 229 O PRO A 18 -9.388 -2.506 -3.825 1.00 1.58 O ATOM 230 CB PRO A 18 -8.352 -0.451 -5.944 1.00 1.07 C ATOM 231 CG PRO A 18 -7.845 0.468 -4.844 1.00 1.21 C ATOM 232 CD PRO A 18 -9.036 0.876 -3.992 1.00 1.22 C ATOM 0 HA PRO A 18 -10.419 -0.884 -6.397 1.00 0.96 H new ATOM 0 HB2 PRO A 18 -7.708 -1.324 -6.051 1.00 1.07 H new ATOM 0 HB3 PRO A 18 -8.360 0.060 -6.907 1.00 1.07 H new ATOM 0 HG2 PRO A 18 -7.097 -0.041 -4.236 1.00 1.21 H new ATOM 0 HG3 PRO A 18 -7.363 1.347 -5.273 1.00 1.21 H new ATOM 0 HD2 PRO A 18 -8.876 0.628 -2.943 1.00 1.22 H new ATOM 0 HD3 PRO A 18 -9.210 1.951 -4.043 1.00 1.22 H new ATOM 240 N ALA A 19 -10.373 -3.178 -5.747 1.00 0.71 N ATOM 241 CA ALA A 19 -10.502 -4.563 -5.326 1.00 0.81 C ATOM 242 C ALA A 19 -9.211 -5.005 -4.636 1.00 0.68 C ATOM 243 O ALA A 19 -9.249 -5.592 -3.554 1.00 0.67 O ATOM 244 CB ALA A 19 -10.844 -5.435 -6.536 1.00 1.09 C ATOM 0 H ALA A 19 -10.733 -2.980 -6.681 1.00 0.71 H new ATOM 0 HA ALA A 19 -11.314 -4.671 -4.606 1.00 0.81 H new ATOM 0 HB1 ALA A 19 -10.941 -6.474 -6.220 1.00 1.09 H new ATOM 0 HB2 ALA A 19 -11.785 -5.099 -6.972 1.00 1.09 H new ATOM 0 HB3 ALA A 19 -10.050 -5.354 -7.279 1.00 1.09 H new ATOM 250 N LYS A 20 -8.097 -4.706 -5.287 1.00 0.62 N ATOM 251 CA LYS A 20 -6.795 -5.064 -4.749 1.00 0.53 C ATOM 252 C LYS A 20 -5.749 -4.067 -5.250 1.00 0.50 C ATOM 253 O LYS A 20 -5.939 -3.429 -6.284 1.00 0.59 O ATOM 254 CB LYS A 20 -6.463 -6.521 -5.078 1.00 0.54 C ATOM 255 CG LYS A 20 -6.193 -6.698 -6.573 1.00 0.54 C ATOM 256 CD LYS A 20 -7.439 -7.207 -7.299 1.00 1.62 C ATOM 257 CE LYS A 20 -7.104 -7.642 -8.728 1.00 1.72 C ATOM 258 NZ LYS A 20 -7.677 -6.692 -9.707 1.00 3.07 N ATOM 0 H LYS A 20 -8.069 -4.219 -6.183 1.00 0.62 H new ATOM 0 HA LYS A 20 -6.801 -5.000 -3.661 1.00 0.53 H new ATOM 0 HB2 LYS A 20 -5.590 -6.836 -4.507 1.00 0.54 H new ATOM 0 HB3 LYS A 20 -7.290 -7.163 -4.776 1.00 0.54 H new ATOM 0 HG2 LYS A 20 -5.879 -5.747 -7.004 1.00 0.54 H new ATOM 0 HG3 LYS A 20 -5.372 -7.400 -6.717 1.00 0.54 H new ATOM 0 HD2 LYS A 20 -7.866 -8.047 -6.750 1.00 1.62 H new ATOM 0 HD3 LYS A 20 -8.196 -6.423 -7.322 1.00 1.62 H new ATOM 0 HE2 LYS A 20 -6.023 -7.695 -8.854 1.00 1.72 H new ATOM 0 HE3 LYS A 20 -7.496 -8.643 -8.911 1.00 1.72 H new ATOM 0 HZ1 LYS A 20 -7.440 -7.002 -10.671 1.00 3.07 H new ATOM 0 HZ2 LYS A 20 -8.711 -6.662 -9.597 1.00 3.07 H new ATOM 0 HZ3 LYS A 20 -7.283 -5.744 -9.542 1.00 3.07 H new ATOM 272 N ILE A 21 -4.667 -3.964 -4.492 1.00 0.45 N ATOM 273 CA ILE A 21 -3.590 -3.053 -4.845 1.00 0.44 C ATOM 274 C ILE A 21 -2.543 -3.806 -5.669 1.00 0.43 C ATOM 275 O ILE A 21 -2.297 -4.988 -5.436 1.00 0.45 O ATOM 276 CB ILE A 21 -3.022 -2.384 -3.592 1.00 0.42 C ATOM 277 CG1 ILE A 21 -3.784 -1.100 -3.264 1.00 0.45 C ATOM 278 CG2 ILE A 21 -1.518 -2.137 -3.737 1.00 0.42 C ATOM 279 CD1 ILE A 21 -4.548 -1.237 -1.946 1.00 0.50 C ATOM 0 H ILE A 21 -4.513 -4.496 -3.635 1.00 0.45 H new ATOM 0 HA ILE A 21 -3.965 -2.241 -5.469 1.00 0.44 H new ATOM 0 HB ILE A 21 -3.158 -3.063 -2.750 1.00 0.42 H new ATOM 0 HG12 ILE A 21 -3.086 -0.265 -3.199 1.00 0.45 H new ATOM 0 HG13 ILE A 21 -4.481 -0.870 -4.070 1.00 0.45 H new ATOM 0 HG21 ILE A 21 -1.139 -1.661 -2.833 1.00 0.42 H new ATOM 0 HG22 ILE A 21 -1.006 -3.087 -3.888 1.00 0.42 H new ATOM 0 HG23 ILE A 21 -1.337 -1.487 -4.593 1.00 0.42 H new ATOM 0 HD11 ILE A 21 -5.081 -0.310 -1.736 1.00 0.50 H new ATOM 0 HD12 ILE A 21 -5.262 -2.057 -2.023 1.00 0.50 H new ATOM 0 HD13 ILE A 21 -3.846 -1.442 -1.138 1.00 0.50 H new ATOM 291 N GLU A 22 -1.955 -3.090 -6.616 1.00 0.42 N ATOM 292 CA GLU A 22 -0.940 -3.675 -7.476 1.00 0.44 C ATOM 293 C GLU A 22 0.422 -3.036 -7.199 1.00 0.42 C ATOM 294 O GLU A 22 0.498 -1.881 -6.782 1.00 0.40 O ATOM 295 CB GLU A 22 -1.323 -3.532 -8.950 1.00 0.44 C ATOM 296 CG GLU A 22 -1.161 -4.861 -9.689 1.00 0.49 C ATOM 297 CD GLU A 22 0.084 -4.846 -10.579 1.00 1.23 C ATOM 298 OE1 GLU A 22 1.180 -5.181 -9.988 1.00 2.84 O ATOM 299 OE2 GLU A 22 -0.012 -4.527 -11.773 1.00 1.67 O ATOM 0 H GLU A 22 -2.162 -2.110 -6.807 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.872 -4.740 -7.254 1.00 0.44 H new ATOM 0 HB2 GLU A 22 -2.355 -3.191 -9.030 1.00 0.44 H new ATOM 0 HB3 GLU A 22 -0.699 -2.772 -9.420 1.00 0.44 H new ATOM 0 HG2 GLU A 22 -1.087 -5.675 -8.968 1.00 0.49 H new ATOM 0 HG3 GLU A 22 -2.045 -5.053 -10.297 1.00 0.49 H new ATOM 306 N LEU A 23 1.465 -3.817 -7.441 1.00 0.47 N ATOM 307 CA LEU A 23 2.821 -3.342 -7.223 1.00 0.47 C ATOM 308 C LEU A 23 3.754 -3.988 -8.249 1.00 0.53 C ATOM 309 O LEU A 23 3.571 -5.147 -8.617 1.00 0.63 O ATOM 310 CB LEU A 23 3.245 -3.579 -5.773 1.00 0.56 C ATOM 311 CG LEU A 23 2.344 -2.960 -4.701 1.00 0.58 C ATOM 312 CD1 LEU A 23 2.545 -3.650 -3.350 1.00 0.70 C ATOM 313 CD2 LEU A 23 2.558 -1.448 -4.610 1.00 0.57 C ATOM 0 H LEU A 23 1.398 -4.775 -7.786 1.00 0.47 H new ATOM 0 HA LEU A 23 2.876 -2.264 -7.375 1.00 0.47 H new ATOM 0 HB2 LEU A 23 3.295 -4.654 -5.601 1.00 0.56 H new ATOM 0 HB3 LEU A 23 4.254 -3.188 -5.642 1.00 0.56 H new ATOM 0 HG LEU A 23 1.306 -3.121 -4.993 1.00 0.58 H new ATOM 0 HD11 LEU A 23 1.893 -3.191 -2.607 1.00 0.70 H new ATOM 0 HD12 LEU A 23 2.301 -4.708 -3.442 1.00 0.70 H new ATOM 0 HD13 LEU A 23 3.584 -3.543 -3.038 1.00 0.70 H new ATOM 0 HD21 LEU A 23 1.906 -1.034 -3.841 1.00 0.57 H new ATOM 0 HD22 LEU A 23 3.597 -1.242 -4.354 1.00 0.57 H new ATOM 0 HD23 LEU A 23 2.324 -0.989 -5.570 1.00 0.57 H new ATOM 325 N HIS A 24 4.735 -3.209 -8.683 1.00 0.51 N ATOM 326 CA HIS A 24 5.697 -3.691 -9.660 1.00 0.60 C ATOM 327 C HIS A 24 7.112 -3.317 -9.214 1.00 0.57 C ATOM 328 O HIS A 24 7.294 -2.384 -8.434 1.00 0.50 O ATOM 329 CB HIS A 24 5.359 -3.170 -11.058 1.00 0.64 C ATOM 330 CG HIS A 24 4.264 -3.942 -11.753 1.00 0.79 C ATOM 331 ND1 HIS A 24 4.506 -5.087 -12.493 1.00 1.01 N ATOM 332 CD2 HIS A 24 2.919 -3.723 -11.814 1.00 0.82 C ATOM 333 CE1 HIS A 24 3.353 -5.527 -12.972 1.00 1.12 C ATOM 334 NE2 HIS A 24 2.370 -4.681 -12.551 1.00 0.99 N ATOM 0 H HIS A 24 4.884 -2.248 -8.376 1.00 0.51 H new ATOM 0 HA HIS A 24 5.647 -4.778 -9.719 1.00 0.60 H new ATOM 0 HB2 HIS A 24 5.060 -2.124 -10.982 1.00 0.64 H new ATOM 0 HB3 HIS A 24 6.258 -3.201 -11.673 1.00 0.64 H new ATOM 0 HD2 HIS A 24 2.390 -2.908 -11.342 1.00 0.82 H new ATOM 0 HE1 HIS A 24 3.215 -6.403 -13.588 1.00 1.12 H new ATOM 0 HE2 HIS A 24 1.377 -4.770 -12.767 1.00 0.99 H new ATOM 342 N PHE A 25 8.076 -4.065 -9.729 1.00 0.75 N ATOM 343 CA PHE A 25 9.469 -3.825 -9.393 1.00 0.76 C ATOM 344 C PHE A 25 10.396 -4.345 -10.494 1.00 0.90 C ATOM 345 O PHE A 25 10.603 -5.552 -10.617 1.00 1.09 O ATOM 346 CB PHE A 25 9.756 -4.588 -8.098 1.00 0.93 C ATOM 347 CG PHE A 25 9.282 -3.868 -6.834 1.00 0.88 C ATOM 348 CD1 PHE A 25 9.926 -2.749 -6.407 1.00 1.69 C ATOM 349 CD2 PHE A 25 8.217 -4.348 -6.137 1.00 2.12 C ATOM 350 CE1 PHE A 25 9.486 -2.081 -5.233 1.00 1.74 C ATOM 351 CE2 PHE A 25 7.777 -3.681 -4.964 1.00 2.25 C ATOM 352 CZ PHE A 25 8.421 -2.561 -4.537 1.00 1.24 C ATOM 0 H PHE A 25 7.920 -4.838 -10.376 1.00 0.75 H new ATOM 0 HA PHE A 25 9.645 -2.755 -9.282 1.00 0.76 H new ATOM 0 HB2 PHE A 25 9.275 -5.565 -8.150 1.00 0.93 H new ATOM 0 HB3 PHE A 25 10.829 -4.765 -8.023 1.00 0.93 H new ATOM 0 HD1 PHE A 25 10.772 -2.368 -6.960 1.00 1.69 H new ATOM 0 HD2 PHE A 25 7.706 -5.237 -6.476 1.00 2.12 H new ATOM 0 HE1 PHE A 25 9.997 -1.192 -4.893 1.00 1.74 H new ATOM 0 HE2 PHE A 25 6.931 -4.062 -4.411 1.00 2.25 H new ATOM 0 HZ PHE A 25 8.086 -2.053 -3.645 1.00 1.24 H new ATOM 362 N SER A 26 10.930 -3.410 -11.265 1.00 0.99 N ATOM 363 CA SER A 26 11.830 -3.758 -12.351 1.00 1.18 C ATOM 364 C SER A 26 13.156 -4.273 -11.787 1.00 1.24 C ATOM 365 O SER A 26 13.925 -4.923 -12.493 1.00 1.37 O ATOM 366 CB SER A 26 12.074 -2.561 -13.270 1.00 1.39 C ATOM 367 OG SER A 26 11.446 -2.725 -14.539 1.00 2.09 O ATOM 0 H SER A 26 10.757 -2.410 -11.159 1.00 0.99 H new ATOM 0 HA SER A 26 11.363 -4.546 -12.942 1.00 1.18 H new ATOM 0 HB2 SER A 26 11.698 -1.656 -12.794 1.00 1.39 H new ATOM 0 HB3 SER A 26 13.146 -2.425 -13.411 1.00 1.39 H new ATOM 0 HG SER A 26 11.624 -1.939 -15.096 1.00 2.09 H new ATOM 499 N GLY A 35 7.374 -4.721 3.297 1.00 0.63 N ATOM 500 CA GLY A 35 5.954 -4.825 3.587 1.00 0.73 C ATOM 501 C GLY A 35 5.259 -3.472 3.419 1.00 0.77 C ATOM 502 O GLY A 35 5.847 -2.529 2.893 1.00 0.88 O ATOM 0 HA2 GLY A 35 5.496 -5.558 2.923 1.00 0.73 H new ATOM 0 HA3 GLY A 35 5.813 -5.186 4.606 1.00 0.73 H new ATOM 506 N ALA A 36 4.017 -3.420 3.877 1.00 0.86 N ATOM 507 CA ALA A 36 3.236 -2.199 3.784 1.00 0.98 C ATOM 508 C ALA A 36 2.158 -2.203 4.870 1.00 1.03 C ATOM 509 O ALA A 36 1.999 -3.190 5.587 1.00 1.17 O ATOM 510 CB ALA A 36 2.646 -2.075 2.378 1.00 1.10 C ATOM 0 H ALA A 36 3.532 -4.204 4.314 1.00 0.86 H new ATOM 0 HA ALA A 36 3.868 -1.327 3.950 1.00 0.98 H new ATOM 0 HB1 ALA A 36 2.060 -1.159 2.309 1.00 1.10 H new ATOM 0 HB2 ALA A 36 3.453 -2.046 1.646 1.00 1.10 H new ATOM 0 HB3 ALA A 36 2.004 -2.932 2.176 1.00 1.10 H new ATOM 516 N LYS A 37 1.445 -1.090 4.957 1.00 0.92 N ATOM 517 CA LYS A 37 0.387 -0.954 5.943 1.00 0.97 C ATOM 518 C LYS A 37 -0.620 0.092 5.463 1.00 0.86 C ATOM 519 O LYS A 37 -0.236 1.182 5.039 1.00 0.75 O ATOM 520 CB LYS A 37 0.976 -0.652 7.323 1.00 1.11 C ATOM 521 CG LYS A 37 1.630 -1.898 7.925 1.00 1.48 C ATOM 522 CD LYS A 37 1.693 -1.801 9.450 1.00 1.82 C ATOM 523 CE LYS A 37 0.328 -2.096 10.076 1.00 2.46 C ATOM 524 NZ LYS A 37 -0.100 -0.974 10.940 1.00 3.83 N ATOM 0 H LYS A 37 1.579 -0.274 4.360 1.00 0.92 H new ATOM 0 HA LYS A 37 -0.155 -1.893 6.052 1.00 0.97 H new ATOM 0 HB2 LYS A 37 1.713 0.146 7.241 1.00 1.11 H new ATOM 0 HB3 LYS A 37 0.190 -0.293 7.987 1.00 1.11 H new ATOM 0 HG2 LYS A 37 1.066 -2.785 7.636 1.00 1.48 H new ATOM 0 HG3 LYS A 37 2.636 -2.015 7.523 1.00 1.48 H new ATOM 0 HD2 LYS A 37 2.432 -2.505 9.832 1.00 1.82 H new ATOM 0 HD3 LYS A 37 2.022 -0.804 9.741 1.00 1.82 H new ATOM 0 HE2 LYS A 37 -0.410 -2.260 9.291 1.00 2.46 H new ATOM 0 HE3 LYS A 37 0.381 -3.014 10.662 1.00 2.46 H new ATOM 0 HZ1 LYS A 37 -0.928 -1.263 11.499 1.00 3.83 H new ATOM 0 HZ2 LYS A 37 0.677 -0.714 11.581 1.00 3.83 H new ATOM 0 HZ3 LYS A 37 -0.350 -0.156 10.348 1.00 3.83 H new ATOM 538 N LEU A 38 -1.891 -0.275 5.544 1.00 0.93 N ATOM 539 CA LEU A 38 -2.957 0.618 5.123 1.00 0.84 C ATOM 540 C LEU A 38 -3.565 1.294 6.352 1.00 0.90 C ATOM 541 O LEU A 38 -3.730 0.663 7.395 1.00 1.07 O ATOM 542 CB LEU A 38 -3.977 -0.133 4.265 1.00 0.82 C ATOM 543 CG LEU A 38 -5.354 0.521 4.135 1.00 0.78 C ATOM 544 CD1 LEU A 38 -5.234 1.954 3.613 1.00 0.69 C ATOM 545 CD2 LEU A 38 -6.285 -0.329 3.268 1.00 0.91 C ATOM 0 H LEU A 38 -2.206 -1.179 5.895 1.00 0.93 H new ATOM 0 HA LEU A 38 -2.562 1.410 4.487 1.00 0.84 H new ATOM 0 HB2 LEU A 38 -3.560 -0.258 3.266 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -4.109 -1.131 4.682 1.00 0.82 H new ATOM 0 HG LEU A 38 -5.800 0.577 5.128 1.00 0.78 H new ATOM 0 HD11 LEU A 38 -6.227 2.395 3.530 1.00 0.69 H new ATOM 0 HD12 LEU A 38 -4.631 2.544 4.304 1.00 0.69 H new ATOM 0 HD13 LEU A 38 -4.758 1.945 2.633 1.00 0.69 H new ATOM 0 HD21 LEU A 38 -7.257 0.158 3.192 1.00 0.91 H new ATOM 0 HD22 LEU A 38 -5.855 -0.439 2.272 1.00 0.91 H new ATOM 0 HD23 LEU A 38 -6.407 -1.313 3.721 1.00 0.91 H new ATOM 557 N VAL A 39 -3.884 2.570 6.190 1.00 0.79 N ATOM 558 CA VAL A 39 -4.472 3.339 7.274 1.00 0.87 C ATOM 559 C VAL A 39 -5.632 4.175 6.730 1.00 0.77 C ATOM 560 O VAL A 39 -5.496 4.839 5.704 1.00 0.74 O ATOM 561 CB VAL A 39 -3.395 4.184 7.959 1.00 1.00 C ATOM 562 CG1 VAL A 39 -2.139 3.355 8.233 1.00 1.13 C ATOM 563 CG2 VAL A 39 -3.062 5.425 7.129 1.00 1.03 C ATOM 0 H VAL A 39 -3.746 3.091 5.324 1.00 0.79 H new ATOM 0 HA VAL A 39 -4.880 2.675 8.036 1.00 0.87 H new ATOM 0 HB VAL A 39 -3.791 4.518 8.918 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -1.390 3.979 8.720 1.00 1.13 H new ATOM 0 HG12 VAL A 39 -2.391 2.517 8.883 1.00 1.13 H new ATOM 0 HG13 VAL A 39 -1.740 2.977 7.292 1.00 1.13 H new ATOM 0 HG21 VAL A 39 -2.294 6.008 7.638 1.00 1.03 H new ATOM 0 HG22 VAL A 39 -2.696 5.120 6.149 1.00 1.03 H new ATOM 0 HG23 VAL A 39 -3.959 6.033 7.008 1.00 1.03 H new ATOM 573 N MET A 40 -6.747 4.115 7.443 1.00 0.75 N ATOM 574 CA MET A 40 -7.931 4.858 7.045 1.00 0.69 C ATOM 575 C MET A 40 -7.970 6.230 7.722 1.00 0.77 C ATOM 576 O MET A 40 -8.401 6.348 8.868 1.00 0.81 O ATOM 577 CB MET A 40 -9.183 4.066 7.424 1.00 0.66 C ATOM 578 CG MET A 40 -10.446 4.908 7.229 1.00 0.66 C ATOM 579 SD MET A 40 -11.051 5.472 8.811 1.00 1.33 S ATOM 580 CE MET A 40 -11.722 3.945 9.448 1.00 2.05 C ATOM 0 H MET A 40 -6.856 3.563 8.294 1.00 0.75 H new ATOM 0 HA MET A 40 -7.898 5.007 5.966 1.00 0.69 H new ATOM 0 HB2 MET A 40 -9.245 3.164 6.815 1.00 0.66 H new ATOM 0 HB3 MET A 40 -9.113 3.744 8.463 1.00 0.66 H new ATOM 0 HG2 MET A 40 -10.229 5.762 6.588 1.00 0.66 H new ATOM 0 HG3 MET A 40 -11.212 4.318 6.726 1.00 0.66 H new ATOM 0 HE1 MET A 40 -12.687 4.139 9.916 1.00 2.05 H new ATOM 0 HE2 MET A 40 -11.851 3.235 8.631 1.00 2.05 H new ATOM 0 HE3 MET A 40 -11.038 3.527 10.187 1.00 2.05 H new ATOM 590 N THR A 41 -7.516 7.231 6.984 1.00 0.80 N ATOM 591 CA THR A 41 -7.494 8.591 7.499 1.00 0.90 C ATOM 592 C THR A 41 -8.650 9.402 6.912 1.00 0.90 C ATOM 593 O THR A 41 -8.429 10.417 6.254 1.00 1.08 O ATOM 594 CB THR A 41 -6.118 9.188 7.198 1.00 1.15 C ATOM 595 OG1 THR A 41 -6.146 10.463 7.834 1.00 1.15 O ATOM 596 CG2 THR A 41 -5.933 9.517 5.715 1.00 1.40 C ATOM 0 H THR A 41 -7.160 7.129 6.034 1.00 0.80 H new ATOM 0 HA THR A 41 -7.642 8.608 8.579 1.00 0.90 H new ATOM 0 HB THR A 41 -5.343 8.490 7.514 1.00 1.15 H new ATOM 0 HG1 THR A 41 -6.857 11.010 7.439 1.00 1.15 H new ATOM 0 HG21 THR A 41 -4.940 9.938 5.557 1.00 1.40 H new ATOM 0 HG22 THR A 41 -6.040 8.607 5.124 1.00 1.40 H new ATOM 0 HG23 THR A 41 -6.687 10.241 5.406 1.00 1.40 H new ATOM 604 N ALA A 42 -9.858 8.924 7.172 1.00 0.76 N ATOM 605 CA ALA A 42 -11.050 9.592 6.678 1.00 0.86 C ATOM 606 C ALA A 42 -11.232 10.916 7.422 1.00 1.19 C ATOM 607 O ALA A 42 -11.194 11.985 6.814 1.00 2.13 O ATOM 608 CB ALA A 42 -12.257 8.664 6.833 1.00 0.93 C ATOM 0 H ALA A 42 -10.037 8.082 7.719 1.00 0.76 H new ATOM 0 HA ALA A 42 -10.950 9.821 5.617 1.00 0.86 H new ATOM 0 HB1 ALA A 42 -13.151 9.165 6.462 1.00 0.93 H new ATOM 0 HB2 ALA A 42 -12.090 7.751 6.262 1.00 0.93 H new ATOM 0 HB3 ALA A 42 -12.391 8.414 7.885 1.00 0.93 H new ATOM 726 N MET A 51 -6.184 5.519 11.581 1.00 1.11 N ATOM 727 CA MET A 51 -6.268 4.165 12.102 1.00 1.10 C ATOM 728 C MET A 51 -5.645 3.163 11.129 1.00 1.17 C ATOM 729 O MET A 51 -5.640 3.387 9.920 1.00 1.54 O ATOM 730 CB MET A 51 -7.736 3.800 12.340 1.00 0.96 C ATOM 731 CG MET A 51 -8.201 4.271 13.719 1.00 1.14 C ATOM 732 SD MET A 51 -7.348 3.361 14.995 1.00 2.60 S ATOM 733 CE MET A 51 -6.978 4.689 16.129 1.00 3.54 C ATOM 0 HA MET A 51 -5.716 4.122 13.041 1.00 1.10 H new ATOM 0 HB2 MET A 51 -8.357 4.254 11.568 1.00 0.96 H new ATOM 0 HB3 MET A 51 -7.864 2.721 12.258 1.00 0.96 H new ATOM 0 HG2 MET A 51 -8.009 5.338 13.832 1.00 1.14 H new ATOM 0 HG3 MET A 51 -9.277 4.129 13.817 1.00 1.14 H new ATOM 0 HE1 MET A 51 -6.441 4.293 16.991 1.00 3.54 H new ATOM 0 HE2 MET A 51 -6.360 5.434 15.628 1.00 3.54 H new ATOM 0 HE3 MET A 51 -7.907 5.153 16.462 1.00 3.54 H new ATOM 743 N ALA A 52 -5.133 2.079 11.693 1.00 1.01 N ATOM 744 CA ALA A 52 -4.507 1.041 10.891 1.00 1.06 C ATOM 745 C ALA A 52 -5.542 -0.036 10.561 1.00 0.97 C ATOM 746 O ALA A 52 -6.366 -0.390 11.404 1.00 0.97 O ATOM 747 CB ALA A 52 -3.297 0.477 11.638 1.00 1.27 C ATOM 0 H ALA A 52 -5.139 1.897 12.697 1.00 1.01 H new ATOM 0 HA ALA A 52 -4.145 1.451 9.948 1.00 1.06 H new ATOM 0 HB1 ALA A 52 -2.828 -0.301 11.036 1.00 1.27 H new ATOM 0 HB2 ALA A 52 -2.578 1.276 11.822 1.00 1.27 H new ATOM 0 HB3 ALA A 52 -3.621 0.054 12.589 1.00 1.27 H new ATOM 753 N VAL A 53 -5.467 -0.527 9.333 1.00 0.97 N ATOM 754 CA VAL A 53 -6.388 -1.557 8.881 1.00 0.97 C ATOM 755 C VAL A 53 -5.622 -2.866 8.679 1.00 1.14 C ATOM 756 O VAL A 53 -4.405 -2.856 8.500 1.00 1.36 O ATOM 757 CB VAL A 53 -7.118 -1.090 7.620 1.00 0.88 C ATOM 758 CG1 VAL A 53 -6.314 -1.429 6.363 1.00 0.84 C ATOM 759 CG2 VAL A 53 -8.525 -1.686 7.549 1.00 0.96 C ATOM 0 H VAL A 53 -4.783 -0.231 8.637 1.00 0.97 H new ATOM 0 HA VAL A 53 -7.154 -1.742 9.634 1.00 0.97 H new ATOM 0 HB VAL A 53 -7.216 -0.006 7.672 1.00 0.88 H new ATOM 0 HG11 VAL A 53 -6.855 -1.086 5.481 1.00 0.84 H new ATOM 0 HG12 VAL A 53 -5.343 -0.935 6.408 1.00 0.84 H new ATOM 0 HG13 VAL A 53 -6.170 -2.508 6.303 1.00 0.84 H new ATOM 0 HG21 VAL A 53 -9.022 -1.338 6.643 1.00 0.96 H new ATOM 0 HG22 VAL A 53 -8.459 -2.774 7.532 1.00 0.96 H new ATOM 0 HG23 VAL A 53 -9.098 -1.371 8.421 1.00 0.96 H new ATOM 769 N LYS A 54 -6.367 -3.962 8.713 1.00 1.15 N ATOM 770 CA LYS A 54 -5.773 -5.276 8.535 1.00 1.36 C ATOM 771 C LYS A 54 -5.801 -5.646 7.051 1.00 1.18 C ATOM 772 O LYS A 54 -6.846 -5.566 6.406 1.00 1.33 O ATOM 773 CB LYS A 54 -6.462 -6.301 9.438 1.00 1.65 C ATOM 774 CG LYS A 54 -6.343 -7.712 8.855 1.00 2.46 C ATOM 775 CD LYS A 54 -6.147 -8.747 9.965 1.00 3.59 C ATOM 776 CE LYS A 54 -5.645 -10.074 9.392 1.00 5.01 C ATOM 777 NZ LYS A 54 -4.336 -10.430 9.983 1.00 6.42 N ATOM 0 H LYS A 54 -7.376 -3.967 8.861 1.00 1.15 H new ATOM 0 HA LYS A 54 -4.727 -5.267 8.842 1.00 1.36 H new ATOM 0 HB2 LYS A 54 -6.014 -6.275 10.432 1.00 1.65 H new ATOM 0 HB3 LYS A 54 -7.514 -6.039 9.555 1.00 1.65 H new ATOM 0 HG2 LYS A 54 -7.240 -7.951 8.284 1.00 2.46 H new ATOM 0 HG3 LYS A 54 -5.503 -7.753 8.161 1.00 2.46 H new ATOM 0 HD2 LYS A 54 -5.434 -8.370 10.698 1.00 3.59 H new ATOM 0 HD3 LYS A 54 -7.089 -8.906 10.490 1.00 3.59 H new ATOM 0 HE2 LYS A 54 -6.369 -10.862 9.596 1.00 5.01 H new ATOM 0 HE3 LYS A 54 -5.553 -9.998 8.309 1.00 5.01 H new ATOM 0 HZ1 LYS A 54 -4.009 -11.333 9.584 1.00 6.42 H new ATOM 0 HZ2 LYS A 54 -3.643 -9.685 9.767 1.00 6.42 H new ATOM 0 HZ3 LYS A 54 -4.434 -10.523 11.014 1.00 6.42 H new ATOM 791 N ALA A 55 -4.640 -6.045 6.551 1.00 1.04 N ATOM 792 CA ALA A 55 -4.518 -6.428 5.155 1.00 0.87 C ATOM 793 C ALA A 55 -3.374 -7.432 5.004 1.00 0.85 C ATOM 794 O ALA A 55 -2.652 -7.705 5.962 1.00 0.99 O ATOM 795 CB ALA A 55 -4.313 -5.177 4.299 1.00 0.77 C ATOM 0 H ALA A 55 -3.776 -6.111 7.088 1.00 1.04 H new ATOM 0 HA ALA A 55 -5.430 -6.914 4.809 1.00 0.87 H new ATOM 0 HB1 ALA A 55 -4.221 -5.464 3.251 1.00 0.77 H new ATOM 0 HB2 ALA A 55 -5.167 -4.510 4.419 1.00 0.77 H new ATOM 0 HB3 ALA A 55 -3.405 -4.664 4.616 1.00 0.77 H new ATOM 801 N ALA A 56 -3.244 -7.956 3.794 1.00 0.71 N ATOM 802 CA ALA A 56 -2.199 -8.923 3.506 1.00 0.72 C ATOM 803 C ALA A 56 -1.509 -8.547 2.193 1.00 0.64 C ATOM 804 O ALA A 56 -2.140 -7.994 1.292 1.00 0.62 O ATOM 805 CB ALA A 56 -2.802 -10.329 3.466 1.00 0.77 C ATOM 0 H ALA A 56 -3.845 -7.729 3.002 1.00 0.71 H new ATOM 0 HA ALA A 56 -1.442 -8.915 4.290 1.00 0.72 H new ATOM 0 HB1 ALA A 56 -2.018 -11.055 3.250 1.00 0.77 H new ATOM 0 HB2 ALA A 56 -3.253 -10.559 4.431 1.00 0.77 H new ATOM 0 HB3 ALA A 56 -3.564 -10.376 2.688 1.00 0.77 H new ATOM 811 N VAL A 57 -0.225 -8.862 2.124 1.00 0.67 N ATOM 812 CA VAL A 57 0.557 -8.565 0.936 1.00 0.62 C ATOM 813 C VAL A 57 0.978 -9.875 0.266 1.00 0.68 C ATOM 814 O VAL A 57 1.648 -10.703 0.881 1.00 0.83 O ATOM 815 CB VAL A 57 1.745 -7.672 1.301 1.00 0.66 C ATOM 816 CG1 VAL A 57 1.283 -6.431 2.067 1.00 1.70 C ATOM 817 CG2 VAL A 57 2.791 -8.452 2.100 1.00 1.80 C ATOM 0 H VAL A 57 0.295 -9.321 2.872 1.00 0.67 H new ATOM 0 HA VAL A 57 -0.042 -8.009 0.215 1.00 0.62 H new ATOM 0 HB VAL A 57 2.211 -7.339 0.374 1.00 0.66 H new ATOM 0 HG11 VAL A 57 2.147 -5.814 2.314 1.00 1.70 H new ATOM 0 HG12 VAL A 57 0.592 -5.858 1.449 1.00 1.70 H new ATOM 0 HG13 VAL A 57 0.780 -6.736 2.985 1.00 1.70 H new ATOM 0 HG21 VAL A 57 3.625 -7.795 2.347 1.00 1.80 H new ATOM 0 HG22 VAL A 57 2.341 -8.828 3.019 1.00 1.80 H new ATOM 0 HG23 VAL A 57 3.153 -9.290 1.504 1.00 1.80 H new ATOM 827 N SER A 58 0.566 -10.020 -0.984 1.00 0.59 N ATOM 828 CA SER A 58 0.892 -11.215 -1.745 1.00 0.66 C ATOM 829 C SER A 58 1.697 -10.840 -2.990 1.00 0.71 C ATOM 830 O SER A 58 1.903 -9.659 -3.268 1.00 1.22 O ATOM 831 CB SER A 58 -0.374 -11.977 -2.141 1.00 0.80 C ATOM 832 OG SER A 58 -1.295 -12.084 -1.058 1.00 0.90 O ATOM 0 H SER A 58 0.010 -9.331 -1.489 1.00 0.59 H new ATOM 0 HA SER A 58 1.495 -11.868 -1.114 1.00 0.66 H new ATOM 0 HB2 SER A 58 -0.855 -11.470 -2.977 1.00 0.80 H new ATOM 0 HB3 SER A 58 -0.103 -12.975 -2.486 1.00 0.80 H new ATOM 0 HG SER A 58 -2.090 -12.575 -1.352 1.00 0.90 H new ATOM 838 N GLY A 59 2.130 -11.866 -3.707 1.00 0.67 N ATOM 839 CA GLY A 59 2.909 -11.658 -4.916 1.00 0.66 C ATOM 840 C GLY A 59 2.409 -12.557 -6.050 1.00 0.89 C ATOM 841 O GLY A 59 1.901 -13.650 -5.804 1.00 1.17 O ATOM 0 H GLY A 59 1.956 -12.844 -3.474 1.00 0.67 H new ATOM 0 HA2 GLY A 59 2.844 -10.613 -5.220 1.00 0.66 H new ATOM 0 HA3 GLY A 59 3.960 -11.868 -4.717 1.00 0.66 H new ATOM 885 N LYS A 64 8.674 -10.110 -8.408 1.00 1.08 N ATOM 886 CA LYS A 64 8.846 -8.725 -8.815 1.00 1.08 C ATOM 887 C LYS A 64 7.485 -8.027 -8.820 1.00 0.96 C ATOM 888 O LYS A 64 7.413 -6.801 -8.759 1.00 1.02 O ATOM 889 CB LYS A 64 9.583 -8.648 -10.154 1.00 1.18 C ATOM 890 CG LYS A 64 8.659 -9.032 -11.311 1.00 1.23 C ATOM 891 CD LYS A 64 9.172 -8.461 -12.635 1.00 1.55 C ATOM 892 CE LYS A 64 8.165 -7.478 -13.235 1.00 2.62 C ATOM 893 NZ LYS A 64 7.640 -7.993 -14.519 1.00 3.14 N ATOM 0 HA LYS A 64 9.474 -8.193 -8.101 1.00 1.08 H new ATOM 0 HB2 LYS A 64 9.962 -7.638 -10.307 1.00 1.18 H new ATOM 0 HB3 LYS A 64 10.446 -9.313 -10.137 1.00 1.18 H new ATOM 0 HG2 LYS A 64 8.590 -10.118 -11.381 1.00 1.23 H new ATOM 0 HG3 LYS A 64 7.653 -8.661 -11.116 1.00 1.23 H new ATOM 0 HD2 LYS A 64 10.125 -7.957 -12.473 1.00 1.55 H new ATOM 0 HD3 LYS A 64 9.356 -9.273 -13.338 1.00 1.55 H new ATOM 0 HE2 LYS A 64 7.343 -7.319 -12.537 1.00 2.62 H new ATOM 0 HE3 LYS A 64 8.642 -6.510 -13.392 1.00 2.62 H new ATOM 0 HZ1 LYS A 64 6.958 -7.314 -14.913 1.00 3.14 H new ATOM 0 HZ2 LYS A 64 8.425 -8.122 -15.188 1.00 3.14 H new ATOM 0 HZ3 LYS A 64 7.167 -8.905 -14.360 1.00 3.14 H new ATOM 907 N THR A 65 6.440 -8.838 -8.894 1.00 0.86 N ATOM 908 CA THR A 65 5.085 -8.314 -8.909 1.00 0.77 C ATOM 909 C THR A 65 4.393 -8.588 -7.572 1.00 0.71 C ATOM 910 O THR A 65 4.312 -9.735 -7.135 1.00 0.76 O ATOM 911 CB THR A 65 4.355 -8.921 -10.108 1.00 0.85 C ATOM 912 OG1 THR A 65 4.829 -8.169 -11.221 1.00 0.92 O ATOM 913 CG2 THR A 65 2.851 -8.642 -10.080 1.00 0.84 C ATOM 0 H THR A 65 6.504 -9.855 -8.944 1.00 0.86 H new ATOM 0 HA THR A 65 5.081 -7.230 -9.025 1.00 0.77 H new ATOM 0 HB THR A 65 4.523 -9.998 -10.128 1.00 0.85 H new ATOM 0 HG1 THR A 65 4.407 -8.498 -12.042 1.00 0.92 H new ATOM 0 HG21 THR A 65 2.381 -9.095 -10.953 1.00 0.84 H new ATOM 0 HG22 THR A 65 2.419 -9.067 -9.174 1.00 0.84 H new ATOM 0 HG23 THR A 65 2.680 -7.566 -10.093 1.00 0.84 H new ATOM 921 N MET A 66 3.912 -7.516 -6.960 1.00 0.65 N ATOM 922 CA MET A 66 3.229 -7.627 -5.682 1.00 0.61 C ATOM 923 C MET A 66 1.767 -7.191 -5.802 1.00 0.49 C ATOM 924 O MET A 66 1.416 -6.424 -6.697 1.00 0.49 O ATOM 925 CB MET A 66 3.939 -6.753 -4.646 1.00 0.62 C ATOM 926 CG MET A 66 4.602 -7.611 -3.567 1.00 0.79 C ATOM 927 SD MET A 66 6.317 -7.153 -3.391 1.00 1.27 S ATOM 928 CE MET A 66 6.962 -7.761 -4.940 1.00 0.89 C ATOM 0 H MET A 66 3.982 -6.566 -7.325 1.00 0.65 H new ATOM 0 HA MET A 66 3.253 -8.670 -5.368 1.00 0.61 H new ATOM 0 HB2 MET A 66 4.691 -6.137 -5.139 1.00 0.62 H new ATOM 0 HB3 MET A 66 3.222 -6.073 -4.186 1.00 0.62 H new ATOM 0 HG2 MET A 66 4.083 -7.481 -2.617 1.00 0.79 H new ATOM 0 HG3 MET A 66 4.524 -8.666 -3.831 1.00 0.79 H new ATOM 0 HE1 MET A 66 8.037 -7.919 -4.850 1.00 0.89 H new ATOM 0 HE2 MET A 66 6.476 -8.704 -5.191 1.00 0.89 H new ATOM 0 HE3 MET A 66 6.768 -7.032 -5.726 1.00 0.89 H new ATOM 938 N VAL A 67 0.955 -7.701 -4.887 1.00 0.46 N ATOM 939 CA VAL A 67 -0.461 -7.374 -4.879 1.00 0.39 C ATOM 940 C VAL A 67 -0.969 -7.362 -3.436 1.00 0.39 C ATOM 941 O VAL A 67 -0.852 -8.359 -2.725 1.00 0.47 O ATOM 942 CB VAL A 67 -1.228 -8.348 -5.775 1.00 0.42 C ATOM 943 CG1 VAL A 67 -1.409 -7.774 -7.181 1.00 1.79 C ATOM 944 CG2 VAL A 67 -0.533 -9.710 -5.824 1.00 1.73 C ATOM 0 H VAL A 67 1.250 -8.338 -4.147 1.00 0.46 H new ATOM 0 HA VAL A 67 -0.625 -6.378 -5.290 1.00 0.39 H new ATOM 0 HB VAL A 67 -2.218 -8.492 -5.343 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -1.957 -8.487 -7.797 1.00 1.79 H new ATOM 0 HG12 VAL A 67 -1.967 -6.839 -7.123 1.00 1.79 H new ATOM 0 HG13 VAL A 67 -0.432 -7.586 -7.626 1.00 1.79 H new ATOM 0 HG21 VAL A 67 -1.098 -10.384 -6.468 1.00 1.73 H new ATOM 0 HG22 VAL A 67 0.475 -9.590 -6.221 1.00 1.73 H new ATOM 0 HG23 VAL A 67 -0.480 -10.128 -4.819 1.00 1.73 H new ATOM 954 N ILE A 68 -1.522 -6.223 -3.046 1.00 0.36 N ATOM 955 CA ILE A 68 -2.048 -6.068 -1.700 1.00 0.39 C ATOM 956 C ILE A 68 -3.538 -6.412 -1.698 1.00 0.41 C ATOM 957 O ILE A 68 -4.313 -5.838 -2.462 1.00 0.42 O ATOM 958 CB ILE A 68 -1.739 -4.670 -1.162 1.00 0.42 C ATOM 959 CG1 ILE A 68 -0.457 -4.676 -0.325 1.00 0.53 C ATOM 960 CG2 ILE A 68 -2.929 -4.107 -0.383 1.00 0.49 C ATOM 961 CD1 ILE A 68 0.783 -4.640 -1.221 1.00 0.56 C ATOM 0 H ILE A 68 -1.617 -5.398 -3.639 1.00 0.36 H new ATOM 0 HA ILE A 68 -1.559 -6.762 -1.017 1.00 0.39 H new ATOM 0 HB ILE A 68 -1.567 -4.008 -2.010 1.00 0.42 H new ATOM 0 HG12 ILE A 68 -0.451 -3.816 0.344 1.00 0.53 H new ATOM 0 HG13 ILE A 68 -0.432 -5.568 0.302 1.00 0.53 H new ATOM 0 HG21 ILE A 68 -2.683 -3.112 -0.011 1.00 0.49 H new ATOM 0 HG22 ILE A 68 -3.797 -4.045 -1.039 1.00 0.49 H new ATOM 0 HG23 ILE A 68 -3.156 -4.762 0.458 1.00 0.49 H new ATOM 0 HD11 ILE A 68 1.680 -4.645 -0.601 1.00 0.56 H new ATOM 0 HD12 ILE A 68 0.787 -5.514 -1.872 1.00 0.56 H new ATOM 0 HD13 ILE A 68 0.767 -3.735 -1.829 1.00 0.56 H new ATOM 973 N THR A 69 -3.896 -7.347 -0.831 1.00 0.46 N ATOM 974 CA THR A 69 -5.281 -7.774 -0.718 1.00 0.53 C ATOM 975 C THR A 69 -5.742 -7.706 0.738 1.00 0.58 C ATOM 976 O THR A 69 -5.432 -8.592 1.533 1.00 0.63 O ATOM 977 CB THR A 69 -5.395 -9.173 -1.327 1.00 0.62 C ATOM 978 OG1 THR A 69 -6.098 -8.963 -2.549 1.00 0.67 O ATOM 979 CG2 THR A 69 -6.316 -10.090 -0.520 1.00 0.70 C ATOM 0 H THR A 69 -3.251 -7.822 -0.199 1.00 0.46 H new ATOM 0 HA THR A 69 -5.947 -7.109 -1.268 1.00 0.53 H new ATOM 0 HB THR A 69 -4.404 -9.622 -1.393 1.00 0.62 H new ATOM 0 HG1 THR A 69 -6.215 -9.820 -3.011 1.00 0.67 H new ATOM 0 HG21 THR A 69 -6.361 -11.070 -0.995 1.00 0.70 H new ATOM 0 HG22 THR A 69 -5.927 -10.196 0.493 1.00 0.70 H new ATOM 0 HG23 THR A 69 -7.316 -9.659 -0.482 1.00 0.70 H new ATOM 987 N PRO A 70 -6.498 -6.619 1.052 1.00 0.64 N ATOM 988 CA PRO A 70 -7.006 -6.424 2.399 1.00 0.74 C ATOM 989 C PRO A 70 -8.180 -7.364 2.683 1.00 0.76 C ATOM 990 O PRO A 70 -9.074 -7.515 1.852 1.00 0.78 O ATOM 991 CB PRO A 70 -7.392 -4.956 2.466 1.00 0.85 C ATOM 992 CG PRO A 70 -7.521 -4.494 1.023 1.00 0.81 C ATOM 993 CD PRO A 70 -6.885 -5.550 0.136 1.00 0.66 C ATOM 0 HA PRO A 70 -6.269 -6.663 3.165 1.00 0.74 H new ATOM 0 HB2 PRO A 70 -8.330 -4.823 3.004 1.00 0.85 H new ATOM 0 HB3 PRO A 70 -6.636 -4.377 2.996 1.00 0.85 H new ATOM 0 HG2 PRO A 70 -8.569 -4.355 0.759 1.00 0.81 H new ATOM 0 HG3 PRO A 70 -7.027 -3.532 0.885 1.00 0.81 H new ATOM 0 HD2 PRO A 70 -7.586 -5.909 -0.618 1.00 0.66 H new ATOM 0 HD3 PRO A 70 -6.021 -5.152 -0.396 1.00 0.66 H new ATOM 1001 N ALA A 71 -8.139 -7.971 3.860 1.00 0.81 N ATOM 1002 CA ALA A 71 -9.187 -8.892 4.265 1.00 0.88 C ATOM 1003 C ALA A 71 -10.468 -8.105 4.552 1.00 1.03 C ATOM 1004 O ALA A 71 -11.560 -8.533 4.179 1.00 1.06 O ATOM 1005 CB ALA A 71 -8.718 -9.702 5.474 1.00 0.91 C ATOM 0 H ALA A 71 -7.396 -7.843 4.547 1.00 0.81 H new ATOM 0 HA ALA A 71 -9.406 -9.599 3.465 1.00 0.88 H new ATOM 0 HB1 ALA A 71 -9.505 -10.393 5.777 1.00 0.91 H new ATOM 0 HB2 ALA A 71 -7.823 -10.265 5.210 1.00 0.91 H new ATOM 0 HB3 ALA A 71 -8.491 -9.026 6.299 1.00 0.91 H new ATOM 1011 N SER A 72 -10.291 -6.970 5.211 1.00 1.21 N ATOM 1012 CA SER A 72 -11.420 -6.120 5.553 1.00 1.38 C ATOM 1013 C SER A 72 -11.885 -5.346 4.317 1.00 1.16 C ATOM 1014 O SER A 72 -11.070 -4.951 3.485 1.00 0.90 O ATOM 1015 CB SER A 72 -11.057 -5.151 6.680 1.00 1.53 C ATOM 1016 OG SER A 72 -12.207 -4.720 7.403 1.00 1.88 O ATOM 0 H SER A 72 -9.384 -6.619 5.517 1.00 1.21 H new ATOM 0 HA SER A 72 -12.233 -6.755 5.904 1.00 1.38 H new ATOM 0 HB2 SER A 72 -10.359 -5.635 7.363 1.00 1.53 H new ATOM 0 HB3 SER A 72 -10.545 -4.284 6.262 1.00 1.53 H new ATOM 0 HG SER A 72 -11.934 -4.104 8.115 1.00 1.88 H new ATOM 1022 N PRO A 73 -13.227 -5.148 4.236 1.00 1.30 N ATOM 1023 CA PRO A 73 -13.811 -4.430 3.116 1.00 1.20 C ATOM 1024 C PRO A 73 -13.562 -2.926 3.240 1.00 0.95 C ATOM 1025 O PRO A 73 -13.810 -2.336 4.291 1.00 1.02 O ATOM 1026 CB PRO A 73 -15.287 -4.792 3.142 1.00 1.51 C ATOM 1027 CG PRO A 73 -15.562 -5.322 4.540 1.00 1.72 C ATOM 1028 CD PRO A 73 -14.222 -5.602 5.203 1.00 1.62 C ATOM 0 HA PRO A 73 -13.364 -4.706 2.161 1.00 1.20 H new ATOM 0 HB2 PRO A 73 -15.906 -3.922 2.926 1.00 1.51 H new ATOM 0 HB3 PRO A 73 -15.518 -5.543 2.387 1.00 1.51 H new ATOM 0 HG2 PRO A 73 -16.130 -4.594 5.119 1.00 1.72 H new ATOM 0 HG3 PRO A 73 -16.162 -6.231 4.493 1.00 1.72 H new ATOM 0 HD2 PRO A 73 -14.128 -5.067 6.148 1.00 1.62 H new ATOM 0 HD3 PRO A 73 -14.104 -6.663 5.424 1.00 1.62 H new ATOM 1036 N LEU A 74 -13.074 -2.346 2.152 1.00 0.76 N ATOM 1037 CA LEU A 74 -12.788 -0.922 2.127 1.00 0.55 C ATOM 1038 C LEU A 74 -14.074 -0.153 1.817 1.00 0.53 C ATOM 1039 O LEU A 74 -14.647 -0.305 0.739 1.00 0.67 O ATOM 1040 CB LEU A 74 -11.644 -0.622 1.157 1.00 0.58 C ATOM 1041 CG LEU A 74 -10.329 -1.358 1.423 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.398 -1.272 0.213 1.00 0.71 C ATOM 1043 CD2 LEU A 74 -9.660 -0.840 2.699 1.00 0.52 C ATOM 0 H LEU A 74 -12.870 -2.837 1.282 1.00 0.76 H new ATOM 0 HA LEU A 74 -12.443 -0.586 3.105 1.00 0.55 H new ATOM 0 HB2 LEU A 74 -11.976 -0.866 0.148 1.00 0.58 H new ATOM 0 HB3 LEU A 74 -11.448 0.450 1.178 1.00 0.58 H new ATOM 0 HG LEU A 74 -10.554 -2.413 1.582 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.471 -1.803 0.429 1.00 0.71 H new ATOM 0 HD12 LEU A 74 -9.883 -1.725 -0.652 1.00 0.71 H new ATOM 0 HD13 LEU A 74 -9.176 -0.227 -0.002 1.00 0.71 H new ATOM 0 HD21 LEU A 74 -8.727 -1.379 2.866 1.00 0.52 H new ATOM 0 HD22 LEU A 74 -9.450 0.224 2.593 1.00 0.52 H new ATOM 0 HD23 LEU A 74 -10.326 -0.996 3.548 1.00 0.52 H new ATOM 1055 N THR A 75 -14.491 0.654 2.781 1.00 0.45 N ATOM 1056 CA THR A 75 -15.699 1.447 2.624 1.00 0.48 C ATOM 1057 C THR A 75 -15.346 2.890 2.261 1.00 0.47 C ATOM 1058 O THR A 75 -14.188 3.292 2.355 1.00 0.48 O ATOM 1059 CB THR A 75 -16.514 1.326 3.914 1.00 0.55 C ATOM 1060 OG1 THR A 75 -15.635 1.809 4.926 1.00 0.60 O ATOM 1061 CG2 THR A 75 -16.773 -0.129 4.309 1.00 0.56 C ATOM 0 H THR A 75 -14.014 0.776 3.674 1.00 0.45 H new ATOM 0 HA THR A 75 -16.310 1.079 1.800 1.00 0.48 H new ATOM 0 HB THR A 75 -17.465 1.844 3.792 1.00 0.55 H new ATOM 0 HG1 THR A 75 -16.084 1.768 5.796 1.00 0.60 H new ATOM 0 HG21 THR A 75 -17.355 -0.158 5.230 1.00 0.56 H new ATOM 0 HG22 THR A 75 -17.327 -0.629 3.514 1.00 0.56 H new ATOM 0 HG23 THR A 75 -15.822 -0.639 4.464 1.00 0.56 H new ATOM 1069 N ALA A 76 -16.368 3.630 1.853 1.00 0.49 N ATOM 1070 CA ALA A 76 -16.180 5.020 1.475 1.00 0.52 C ATOM 1071 C ALA A 76 -15.278 5.706 2.502 1.00 0.51 C ATOM 1072 O ALA A 76 -15.037 5.168 3.582 1.00 0.62 O ATOM 1073 CB ALA A 76 -17.543 5.704 1.348 1.00 0.59 C ATOM 0 H ALA A 76 -17.328 3.293 1.776 1.00 0.49 H new ATOM 0 HA ALA A 76 -15.688 5.090 0.505 1.00 0.52 H new ATOM 0 HB1 ALA A 76 -17.402 6.747 1.064 1.00 0.59 H new ATOM 0 HB2 ALA A 76 -18.135 5.198 0.585 1.00 0.59 H new ATOM 0 HB3 ALA A 76 -18.065 5.655 2.304 1.00 0.59 H new ATOM 1079 N GLY A 77 -14.801 6.885 2.130 1.00 0.50 N ATOM 1080 CA GLY A 77 -13.930 7.651 3.005 1.00 0.52 C ATOM 1081 C GLY A 77 -12.588 7.939 2.328 1.00 0.50 C ATOM 1082 O GLY A 77 -12.510 8.013 1.104 1.00 0.52 O ATOM 0 H GLY A 77 -15.002 7.329 1.234 1.00 0.50 H new ATOM 0 HA2 GLY A 77 -14.414 8.590 3.275 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -13.764 7.101 3.931 1.00 0.52 H new ATOM 1086 N THR A 78 -11.565 8.094 3.157 1.00 0.52 N ATOM 1087 CA THR A 78 -10.232 8.373 2.654 1.00 0.53 C ATOM 1088 C THR A 78 -9.197 7.509 3.380 1.00 0.50 C ATOM 1089 O THR A 78 -9.235 7.385 4.603 1.00 0.53 O ATOM 1090 CB THR A 78 -9.976 9.873 2.795 1.00 0.60 C ATOM 1091 OG1 THR A 78 -10.856 10.467 1.844 1.00 0.70 O ATOM 1092 CG2 THR A 78 -8.581 10.279 2.316 1.00 0.73 C ATOM 0 H THR A 78 -11.634 8.031 4.173 1.00 0.52 H new ATOM 0 HA THR A 78 -10.146 8.113 1.599 1.00 0.53 H new ATOM 0 HB THR A 78 -10.099 10.164 3.838 1.00 0.60 H new ATOM 0 HG1 THR A 78 -11.000 11.408 2.075 1.00 0.70 H new ATOM 0 HG21 THR A 78 -8.453 11.354 2.439 1.00 0.73 H new ATOM 0 HG22 THR A 78 -7.828 9.754 2.904 1.00 0.73 H new ATOM 0 HG23 THR A 78 -8.467 10.018 1.264 1.00 0.73 H new ATOM 1100 N TYR A 79 -8.297 6.936 2.594 1.00 0.48 N ATOM 1101 CA TYR A 79 -7.254 6.088 3.147 1.00 0.48 C ATOM 1102 C TYR A 79 -5.911 6.353 2.462 1.00 0.51 C ATOM 1103 O TYR A 79 -5.871 6.873 1.347 1.00 0.53 O ATOM 1104 CB TYR A 79 -7.685 4.648 2.860 1.00 0.45 C ATOM 1105 CG TYR A 79 -9.111 4.324 3.308 1.00 0.44 C ATOM 1106 CD1 TYR A 79 -10.184 4.914 2.672 1.00 1.86 C ATOM 1107 CD2 TYR A 79 -9.323 3.442 4.347 1.00 1.52 C ATOM 1108 CE1 TYR A 79 -11.528 4.609 3.094 1.00 1.86 C ATOM 1109 CE2 TYR A 79 -10.666 3.137 4.769 1.00 1.56 C ATOM 1110 CZ TYR A 79 -11.702 3.735 4.122 1.00 0.53 C ATOM 1111 OH TYR A 79 -12.970 3.447 4.520 1.00 0.61 O ATOM 0 H TYR A 79 -8.268 7.042 1.580 1.00 0.48 H new ATOM 0 HA TYR A 79 -7.126 6.281 4.212 1.00 0.48 H new ATOM 0 HB2 TYR A 79 -7.600 4.461 1.790 1.00 0.45 H new ATOM 0 HB3 TYR A 79 -6.995 3.967 3.358 1.00 0.45 H new ATOM 0 HD1 TYR A 79 -10.017 5.604 1.858 1.00 1.86 H new ATOM 0 HD2 TYR A 79 -8.483 2.980 4.844 1.00 1.52 H new ATOM 0 HE1 TYR A 79 -12.377 5.064 2.606 1.00 1.86 H new ATOM 0 HE2 TYR A 79 -10.846 2.449 5.581 1.00 1.56 H new ATOM 0 HH TYR A 79 -13.608 3.817 3.874 1.00 0.61 H new ATOM 1121 N LYS A 80 -4.846 5.983 3.156 1.00 0.61 N ATOM 1122 CA LYS A 80 -3.505 6.174 2.629 1.00 0.66 C ATOM 1123 C LYS A 80 -2.691 4.897 2.844 1.00 0.65 C ATOM 1124 O LYS A 80 -2.370 4.544 3.977 1.00 0.78 O ATOM 1125 CB LYS A 80 -2.864 7.423 3.236 1.00 0.79 C ATOM 1126 CG LYS A 80 -1.388 7.527 2.843 1.00 1.14 C ATOM 1127 CD LYS A 80 -0.540 8.015 4.020 1.00 1.84 C ATOM 1128 CE LYS A 80 0.597 8.917 3.539 1.00 2.19 C ATOM 1129 NZ LYS A 80 0.363 10.316 3.959 1.00 2.63 N ATOM 0 H LYS A 80 -4.884 5.552 4.079 1.00 0.61 H new ATOM 0 HA LYS A 80 -3.539 6.353 1.554 1.00 0.66 H new ATOM 0 HB2 LYS A 80 -3.398 8.311 2.898 1.00 0.79 H new ATOM 0 HB3 LYS A 80 -2.954 7.391 4.322 1.00 0.79 H new ATOM 0 HG2 LYS A 80 -1.027 6.554 2.509 1.00 1.14 H new ATOM 0 HG3 LYS A 80 -1.279 8.213 2.003 1.00 1.14 H new ATOM 0 HD2 LYS A 80 -1.168 8.560 4.724 1.00 1.84 H new ATOM 0 HD3 LYS A 80 -0.129 7.160 4.556 1.00 1.84 H new ATOM 0 HE2 LYS A 80 1.545 8.564 3.944 1.00 2.19 H new ATOM 0 HE3 LYS A 80 0.675 8.866 2.453 1.00 2.19 H new ATOM 0 HZ1 LYS A 80 1.145 10.914 3.624 1.00 2.63 H new ATOM 0 HZ2 LYS A 80 -0.532 10.656 3.552 1.00 2.63 H new ATOM 0 HZ3 LYS A 80 0.311 10.363 4.997 1.00 2.63 H new ATOM 1143 N VAL A 81 -2.379 4.238 1.737 1.00 0.56 N ATOM 1144 CA VAL A 81 -1.608 3.008 1.790 1.00 0.56 C ATOM 1145 C VAL A 81 -0.116 3.347 1.808 1.00 0.62 C ATOM 1146 O VAL A 81 0.427 3.830 0.816 1.00 0.69 O ATOM 1147 CB VAL A 81 -1.999 2.094 0.626 1.00 0.48 C ATOM 1148 CG1 VAL A 81 -0.968 0.981 0.432 1.00 0.76 C ATOM 1149 CG2 VAL A 81 -3.400 1.515 0.831 1.00 0.52 C ATOM 0 H VAL A 81 -2.647 4.533 0.798 1.00 0.56 H new ATOM 0 HA VAL A 81 -1.828 2.459 2.705 1.00 0.56 H new ATOM 0 HB VAL A 81 -2.015 2.696 -0.282 1.00 0.48 H new ATOM 0 HG11 VAL A 81 -1.270 0.346 -0.401 1.00 0.76 H new ATOM 0 HG12 VAL A 81 0.006 1.421 0.218 1.00 0.76 H new ATOM 0 HG13 VAL A 81 -0.904 0.382 1.340 1.00 0.76 H new ATOM 0 HG21 VAL A 81 -3.653 0.869 -0.010 1.00 0.52 H new ATOM 0 HG22 VAL A 81 -3.423 0.935 1.754 1.00 0.52 H new ATOM 0 HG23 VAL A 81 -4.124 2.328 0.896 1.00 0.52 H new ATOM 1159 N ASP A 82 0.505 3.080 2.948 1.00 0.68 N ATOM 1160 CA ASP A 82 1.924 3.350 3.109 1.00 0.74 C ATOM 1161 C ASP A 82 2.700 2.033 3.043 1.00 0.72 C ATOM 1162 O ASP A 82 2.513 1.156 3.885 1.00 0.94 O ATOM 1163 CB ASP A 82 2.209 4.001 4.464 1.00 1.05 C ATOM 1164 CG ASP A 82 1.375 5.246 4.772 1.00 1.31 C ATOM 1165 OD1 ASP A 82 0.122 5.023 4.985 1.00 1.85 O ATOM 1166 OD2 ASP A 82 1.896 6.371 4.808 1.00 2.40 O ATOM 0 H ASP A 82 0.051 2.679 3.769 1.00 0.68 H new ATOM 0 HA ASP A 82 2.232 4.027 2.312 1.00 0.74 H new ATOM 0 HB2 ASP A 82 2.036 3.264 5.248 1.00 1.05 H new ATOM 0 HB3 ASP A 82 3.265 4.270 4.506 1.00 1.05 H new ATOM 1171 N TRP A 83 3.554 1.936 2.035 1.00 0.56 N ATOM 1172 CA TRP A 83 4.360 0.742 1.849 1.00 0.64 C ATOM 1173 C TRP A 83 5.788 1.061 2.292 1.00 0.76 C ATOM 1174 O TRP A 83 6.290 2.157 2.041 1.00 0.55 O ATOM 1175 CB TRP A 83 4.278 0.245 0.404 1.00 0.61 C ATOM 1176 CG TRP A 83 4.409 1.354 -0.643 1.00 0.49 C ATOM 1177 CD1 TRP A 83 3.432 2.076 -1.205 1.00 0.49 C ATOM 1178 CD2 TRP A 83 5.633 1.837 -1.234 1.00 0.40 C ATOM 1179 NE1 TRP A 83 3.934 2.988 -2.112 1.00 0.41 N ATOM 1180 CE2 TRP A 83 5.315 2.838 -2.130 1.00 0.38 C ATOM 1181 CE3 TRP A 83 6.966 1.443 -1.018 1.00 0.42 C ATOM 1182 CZ2 TRP A 83 6.275 3.527 -2.881 1.00 0.43 C ATOM 1183 CZ3 TRP A 83 7.912 2.142 -1.777 1.00 0.46 C ATOM 1184 CH2 TRP A 83 7.608 3.152 -2.683 1.00 0.49 C ATOM 0 H TRP A 83 3.705 2.665 1.338 1.00 0.56 H new ATOM 0 HA TRP A 83 3.982 -0.078 2.460 1.00 0.64 H new ATOM 0 HB2 TRP A 83 5.064 -0.492 0.239 1.00 0.61 H new ATOM 0 HB3 TRP A 83 3.326 -0.267 0.260 1.00 0.61 H new ATOM 0 HD1 TRP A 83 2.383 1.960 -0.978 1.00 0.49 H new ATOM 0 HE1 TRP A 83 3.391 3.650 -2.667 1.00 0.41 H new ATOM 0 HE3 TRP A 83 7.238 0.663 -0.322 1.00 0.42 H new ATOM 0 HZ2 TRP A 83 6.001 4.307 -3.576 1.00 0.43 H new ATOM 0 HZ3 TRP A 83 8.952 1.878 -1.650 1.00 0.46 H new ATOM 0 HH2 TRP A 83 8.397 3.645 -3.231 1.00 0.49 H new ATOM 1195 N ARG A 84 6.405 0.086 2.942 1.00 1.24 N ATOM 1196 CA ARG A 84 7.767 0.249 3.422 1.00 1.44 C ATOM 1197 C ARG A 84 8.695 -0.760 2.741 1.00 1.50 C ATOM 1198 O ARG A 84 8.608 -1.960 2.998 1.00 1.61 O ATOM 1199 CB ARG A 84 7.843 0.059 4.937 1.00 1.49 C ATOM 1200 CG ARG A 84 7.266 1.271 5.672 1.00 1.70 C ATOM 1201 CD ARG A 84 5.851 0.982 6.178 1.00 2.08 C ATOM 1202 NE ARG A 84 5.417 2.052 7.104 1.00 2.53 N ATOM 1203 CZ ARG A 84 5.651 2.044 8.434 1.00 2.66 C ATOM 1204 NH1 ARG A 84 6.318 1.020 9.006 1.00 2.76 N ATOM 1205 NH2 ARG A 84 5.217 3.053 9.166 1.00 3.54 N ATOM 0 H ARG A 84 5.987 -0.821 3.148 1.00 1.24 H new ATOM 0 HA ARG A 84 8.085 1.263 3.178 1.00 1.44 H new ATOM 0 HB2 ARG A 84 7.295 -0.839 5.222 1.00 1.49 H new ATOM 0 HB3 ARG A 84 8.880 -0.092 5.236 1.00 1.49 H new ATOM 0 HG2 ARG A 84 7.910 1.532 6.512 1.00 1.70 H new ATOM 0 HG3 ARG A 84 7.248 2.132 5.004 1.00 1.70 H new ATOM 0 HD2 ARG A 84 5.161 0.916 5.337 1.00 2.08 H new ATOM 0 HD3 ARG A 84 5.827 0.018 6.686 1.00 2.08 H new ATOM 0 HE ARG A 84 4.909 2.845 6.713 1.00 2.53 H new ATOM 0 HH11 ARG A 84 6.650 0.244 8.433 1.00 2.76 H new ATOM 0 HH12 ARG A 84 6.490 1.022 10.011 1.00 2.76 H new ATOM 0 HH21 ARG A 84 4.713 3.823 8.726 1.00 3.54 H new ATOM 0 HH22 ARG A 84 5.385 3.063 10.172 1.00 3.54 H new ATOM 1324 N ILE A 93 13.456 2.547 1.986 1.00 1.09 N ATOM 1325 CA ILE A 93 12.686 3.363 1.064 1.00 0.99 C ATOM 1326 C ILE A 93 11.201 3.022 1.208 1.00 0.70 C ATOM 1327 O ILE A 93 10.781 1.911 0.890 1.00 0.95 O ATOM 1328 CB ILE A 93 13.217 3.207 -0.363 1.00 1.31 C ATOM 1329 CG1 ILE A 93 12.716 4.339 -1.261 1.00 2.55 C ATOM 1330 CG2 ILE A 93 12.869 1.829 -0.930 1.00 1.90 C ATOM 1331 CD1 ILE A 93 13.856 5.291 -1.630 1.00 3.76 C ATOM 0 HA ILE A 93 12.797 4.420 1.306 1.00 0.99 H new ATOM 0 HB ILE A 93 14.304 3.277 -0.332 1.00 1.31 H new ATOM 0 HG12 ILE A 93 12.278 3.922 -2.168 1.00 2.55 H new ATOM 0 HG13 ILE A 93 11.927 4.891 -0.750 1.00 2.55 H new ATOM 0 HG21 ILE A 93 13.258 1.744 -1.945 1.00 1.90 H new ATOM 0 HG22 ILE A 93 13.315 1.055 -0.305 1.00 1.90 H new ATOM 0 HG23 ILE A 93 11.786 1.704 -0.945 1.00 1.90 H new ATOM 0 HD11 ILE A 93 13.473 6.087 -2.269 1.00 3.76 H new ATOM 0 HD12 ILE A 93 14.276 5.725 -0.722 1.00 3.76 H new ATOM 0 HD13 ILE A 93 14.632 4.740 -2.162 1.00 3.76 H new ATOM 1343 N THR A 94 10.446 4.001 1.687 1.00 0.58 N ATOM 1344 CA THR A 94 9.017 3.819 1.876 1.00 0.64 C ATOM 1345 C THR A 94 8.233 4.753 0.951 1.00 0.55 C ATOM 1346 O THR A 94 8.803 5.667 0.358 1.00 0.60 O ATOM 1347 CB THR A 94 8.706 4.032 3.359 1.00 1.00 C ATOM 1348 OG1 THR A 94 9.160 5.357 3.622 1.00 1.12 O ATOM 1349 CG2 THR A 94 9.568 3.156 4.269 1.00 1.21 C ATOM 0 H THR A 94 10.797 4.922 1.950 1.00 0.58 H new ATOM 0 HA THR A 94 8.708 2.810 1.605 1.00 0.64 H new ATOM 0 HB THR A 94 7.653 3.821 3.543 1.00 1.00 H new ATOM 0 HG1 THR A 94 8.995 5.579 4.562 1.00 1.12 H new ATOM 0 HG21 THR A 94 9.307 3.346 5.310 1.00 1.21 H new ATOM 0 HG22 THR A 94 9.392 2.106 4.037 1.00 1.21 H new ATOM 0 HG23 THR A 94 10.620 3.391 4.110 1.00 1.21 H new ATOM 1357 N GLY A 95 6.938 4.490 0.857 1.00 0.59 N ATOM 1358 CA GLY A 95 6.070 5.294 0.014 1.00 0.58 C ATOM 1359 C GLY A 95 4.646 5.331 0.570 1.00 0.65 C ATOM 1360 O GLY A 95 4.338 4.647 1.546 1.00 0.83 O ATOM 0 H GLY A 95 6.469 3.731 1.351 1.00 0.59 H new ATOM 0 HA2 GLY A 95 6.463 6.308 -0.056 1.00 0.58 H new ATOM 0 HA3 GLY A 95 6.059 4.886 -0.997 1.00 0.58 H new ATOM 1364 N SER A 96 3.813 6.136 -0.073 1.00 0.68 N ATOM 1365 CA SER A 96 2.428 6.270 0.345 1.00 0.78 C ATOM 1366 C SER A 96 1.533 6.498 -0.875 1.00 0.66 C ATOM 1367 O SER A 96 1.937 7.158 -1.831 1.00 0.70 O ATOM 1368 CB SER A 96 2.263 7.416 1.345 1.00 1.11 C ATOM 1369 OG SER A 96 3.519 7.893 1.822 1.00 1.40 O ATOM 0 H SER A 96 4.071 6.702 -0.881 1.00 0.68 H new ATOM 0 HA SER A 96 2.129 5.346 0.840 1.00 0.78 H new ATOM 0 HB2 SER A 96 1.720 8.234 0.872 1.00 1.11 H new ATOM 0 HB3 SER A 96 1.660 7.078 2.188 1.00 1.11 H new ATOM 0 HG SER A 96 3.371 8.625 2.457 1.00 1.40 H new ATOM 1375 N VAL A 97 0.334 5.939 -0.801 1.00 0.58 N ATOM 1376 CA VAL A 97 -0.621 6.073 -1.888 1.00 0.48 C ATOM 1377 C VAL A 97 -1.990 6.449 -1.314 1.00 0.51 C ATOM 1378 O VAL A 97 -2.709 5.592 -0.803 1.00 0.51 O ATOM 1379 CB VAL A 97 -0.654 4.788 -2.719 1.00 0.34 C ATOM 1380 CG1 VAL A 97 -1.229 5.050 -4.112 1.00 0.49 C ATOM 1381 CG2 VAL A 97 0.738 4.160 -2.809 1.00 0.44 C ATOM 0 H VAL A 97 0.002 5.393 -0.006 1.00 0.58 H new ATOM 0 HA VAL A 97 -0.320 6.873 -2.564 1.00 0.48 H new ATOM 0 HB VAL A 97 -1.310 4.079 -2.215 1.00 0.34 H new ATOM 0 HG11 VAL A 97 -1.241 4.121 -4.681 1.00 0.49 H new ATOM 0 HG12 VAL A 97 -2.246 5.432 -4.020 1.00 0.49 H new ATOM 0 HG13 VAL A 97 -0.611 5.784 -4.629 1.00 0.49 H new ATOM 0 HG21 VAL A 97 0.688 3.248 -3.404 1.00 0.44 H new ATOM 0 HG22 VAL A 97 1.425 4.864 -3.279 1.00 0.44 H new ATOM 0 HG23 VAL A 97 1.094 3.920 -1.807 1.00 0.44 H new ATOM 1391 N THR A 98 -2.309 7.730 -1.420 1.00 0.58 N ATOM 1392 CA THR A 98 -3.578 8.229 -0.918 1.00 0.62 C ATOM 1393 C THR A 98 -4.677 8.036 -1.963 1.00 0.54 C ATOM 1394 O THR A 98 -4.438 8.200 -3.159 1.00 0.54 O ATOM 1395 CB THR A 98 -3.381 9.690 -0.506 1.00 0.79 C ATOM 1396 OG1 THR A 98 -4.435 9.932 0.423 1.00 0.73 O ATOM 1397 CG2 THR A 98 -3.662 10.664 -1.651 1.00 0.85 C ATOM 0 H THR A 98 -1.711 8.438 -1.846 1.00 0.58 H new ATOM 0 HA THR A 98 -3.905 7.670 -0.041 1.00 0.62 H new ATOM 0 HB THR A 98 -2.361 9.833 -0.151 1.00 0.79 H new ATOM 0 HG1 THR A 98 -4.383 10.857 0.743 1.00 0.73 H new ATOM 0 HG21 THR A 98 -3.508 11.686 -1.305 1.00 0.85 H new ATOM 0 HG22 THR A 98 -2.986 10.455 -2.480 1.00 0.85 H new ATOM 0 HG23 THR A 98 -4.693 10.546 -1.985 1.00 0.85 H new ATOM 1405 N PHE A 99 -5.860 7.691 -1.476 1.00 0.53 N ATOM 1406 CA PHE A 99 -6.997 7.474 -2.353 1.00 0.47 C ATOM 1407 C PHE A 99 -8.315 7.621 -1.590 1.00 0.43 C ATOM 1408 O PHE A 99 -8.393 7.286 -0.409 1.00 0.42 O ATOM 1409 CB PHE A 99 -6.887 6.043 -2.884 1.00 0.41 C ATOM 1410 CG PHE A 99 -7.273 4.969 -1.864 1.00 0.39 C ATOM 1411 CD1 PHE A 99 -8.562 4.549 -1.775 1.00 1.75 C ATOM 1412 CD2 PHE A 99 -6.325 4.436 -1.046 1.00 1.67 C ATOM 1413 CE1 PHE A 99 -8.921 3.552 -0.829 1.00 1.74 C ATOM 1414 CE2 PHE A 99 -6.683 3.441 -0.100 1.00 1.69 C ATOM 1415 CZ PHE A 99 -7.974 3.019 -0.012 1.00 0.40 C ATOM 0 H PHE A 99 -6.055 7.556 -0.484 1.00 0.53 H new ATOM 0 HA PHE A 99 -6.990 8.209 -3.158 1.00 0.47 H new ATOM 0 HB2 PHE A 99 -7.525 5.942 -3.762 1.00 0.41 H new ATOM 0 HB3 PHE A 99 -5.863 5.866 -3.213 1.00 0.41 H new ATOM 0 HD1 PHE A 99 -9.314 4.973 -2.424 1.00 1.75 H new ATOM 0 HD2 PHE A 99 -5.300 4.770 -1.117 1.00 1.67 H new ATOM 0 HE1 PHE A 99 -9.946 3.218 -0.759 1.00 1.74 H new ATOM 0 HE2 PHE A 99 -5.931 3.019 0.550 1.00 1.69 H new ATOM 0 HZ PHE A 99 -8.246 2.261 0.707 1.00 0.40 H new ATOM 1425 N LYS A 100 -9.318 8.123 -2.295 1.00 0.44 N ATOM 1426 CA LYS A 100 -10.628 8.319 -1.699 1.00 0.43 C ATOM 1427 C LYS A 100 -11.526 7.130 -2.049 1.00 0.37 C ATOM 1428 O LYS A 100 -11.157 6.289 -2.866 1.00 0.41 O ATOM 1429 CB LYS A 100 -11.209 9.672 -2.114 1.00 0.55 C ATOM 1430 CG LYS A 100 -10.455 10.823 -1.445 1.00 0.65 C ATOM 1431 CD LYS A 100 -11.425 11.804 -0.784 1.00 1.44 C ATOM 1432 CE LYS A 100 -10.682 13.026 -0.240 1.00 1.65 C ATOM 1433 NZ LYS A 100 -11.638 14.000 0.332 1.00 2.54 N ATOM 0 H LYS A 100 -9.249 8.400 -3.274 1.00 0.44 H new ATOM 0 HA LYS A 100 -10.551 8.352 -0.612 1.00 0.43 H new ATOM 0 HB2 LYS A 100 -11.154 9.778 -3.197 1.00 0.55 H new ATOM 0 HB3 LYS A 100 -12.264 9.717 -1.842 1.00 0.55 H new ATOM 0 HG2 LYS A 100 -9.768 10.426 -0.698 1.00 0.65 H new ATOM 0 HG3 LYS A 100 -9.852 11.347 -2.187 1.00 0.65 H new ATOM 0 HD2 LYS A 100 -12.175 12.122 -1.508 1.00 1.44 H new ATOM 0 HD3 LYS A 100 -11.956 11.306 0.027 1.00 1.44 H new ATOM 0 HE2 LYS A 100 -9.969 12.715 0.524 1.00 1.65 H new ATOM 0 HE3 LYS A 100 -10.109 13.496 -1.039 1.00 1.65 H new ATOM 0 HZ1 LYS A 100 -11.118 14.823 0.697 1.00 2.54 H new ATOM 0 HZ2 LYS A 100 -12.302 14.309 -0.406 1.00 2.54 H new ATOM 0 HZ3 LYS A 100 -12.167 13.553 1.108 1.00 2.54 H new ATOM 1447 N VAL A 101 -12.688 7.100 -1.412 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.641 6.029 -1.645 1.00 0.39 C ATOM 1449 C VAL A 101 -15.060 6.600 -1.621 1.00 0.48 C ATOM 1450 O VAL A 101 -15.458 7.240 -0.649 1.00 0.56 O ATOM 1451 CB VAL A 101 -13.430 4.909 -0.625 1.00 0.41 C ATOM 1452 CG1 VAL A 101 -14.321 3.705 -0.940 1.00 0.50 C ATOM 1453 CG2 VAL A 101 -11.957 4.497 -0.559 1.00 0.68 C ATOM 0 H VAL A 101 -12.990 7.800 -0.735 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.485 5.587 -2.629 1.00 0.39 H new ATOM 0 HB VAL A 101 -13.716 5.291 0.355 1.00 0.41 H new ATOM 0 HG11 VAL A 101 -14.151 2.923 -0.200 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -15.367 4.010 -0.913 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -14.080 3.324 -1.932 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -11.835 3.699 0.174 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -11.634 4.143 -1.538 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -11.352 5.355 -0.266 1.00 0.68 H new ATOM 1463 N LYS A 102 -15.784 6.348 -2.701 1.00 0.64 N ATOM 1464 CA LYS A 102 -17.151 6.829 -2.815 1.00 0.77 C ATOM 1465 C LYS A 102 -18.073 5.656 -3.153 1.00 0.93 C ATOM 1466 O LYS A 102 -18.800 5.165 -2.291 1.00 1.47 O ATOM 1467 CB LYS A 102 -17.230 7.982 -3.818 1.00 0.76 C ATOM 1468 CG LYS A 102 -16.237 9.090 -3.460 1.00 0.71 C ATOM 1469 CD LYS A 102 -16.893 10.146 -2.569 1.00 1.08 C ATOM 1470 CE LYS A 102 -17.268 11.390 -3.377 1.00 1.89 C ATOM 1471 NZ LYS A 102 -16.212 12.421 -3.261 1.00 2.35 N ATOM 1472 OXT LYS A 102 -18.388 4.841 -2.289 1.00 1.07 O ATOM 0 H LYS A 102 -15.450 5.817 -3.505 1.00 0.64 H new ATOM 0 HA LYS A 102 -17.492 7.239 -1.864 1.00 0.77 H new ATOM 0 HB2 LYS A 102 -17.020 7.611 -4.821 1.00 0.76 H new ATOM 0 HB3 LYS A 102 -18.242 8.387 -3.833 1.00 0.76 H new ATOM 0 HG2 LYS A 102 -15.376 8.660 -2.948 1.00 0.71 H new ATOM 0 HG3 LYS A 102 -15.865 9.558 -4.371 1.00 0.71 H new ATOM 0 HD2 LYS A 102 -17.785 9.729 -2.102 1.00 1.08 H new ATOM 0 HD3 LYS A 102 -16.211 10.422 -1.765 1.00 1.08 H new ATOM 0 HE2 LYS A 102 -17.409 11.122 -4.424 1.00 1.89 H new ATOM 0 HE3 LYS A 102 -18.217 11.791 -3.020 1.00 1.89 H new ATOM 0 HZ1 LYS A 102 -16.482 13.259 -3.815 1.00 2.35 H new ATOM 0 HZ2 LYS A 102 -16.096 12.689 -2.263 1.00 2.35 H new ATOM 0 HZ3 LYS A 102 -15.314 12.041 -3.623 1.00 2.35 H new