USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 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 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 THR OG1 : rot 1:sc= 0.736 USER MOD Set 1.3: A 79 TYR OH : rot 3:sc= 1.97 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.811 K(o=-1.8,f=-3.1!) USER MOD Set 2.2: A 65 THR OG1 : rot -44:sc= -0.955 USER MOD Single : A 6 SER OG : rot 180:sc= -0.562 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0139 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -73:sc= 1.14 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 140:sc= -2.25! (180deg=-3.25!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -171:sc= -1.93 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00482 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 98 THR OG1 : rot 23:sc= 0.241 USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= -0.123 (180deg=-1.26!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.511 3.285 -5.079 1.00 0.88 N ATOM 57 CA LEU A 4 9.566 2.042 -5.830 1.00 0.69 C ATOM 58 C LEU A 4 9.498 2.354 -7.327 1.00 0.66 C ATOM 59 O LEU A 4 9.198 3.481 -7.717 1.00 0.71 O ATOM 60 CB LEU A 4 8.478 1.078 -5.352 1.00 0.86 C ATOM 61 CG LEU A 4 7.041 1.454 -5.719 1.00 0.64 C ATOM 62 CD1 LEU A 4 6.839 2.968 -5.661 1.00 1.06 C ATOM 63 CD2 LEU A 4 6.653 0.874 -7.081 1.00 0.68 C ATOM 0 HA LEU A 4 10.512 1.530 -5.652 1.00 0.69 H new ATOM 0 HB2 LEU A 4 8.690 0.090 -5.761 1.00 0.86 H new ATOM 0 HB3 LEU A 4 8.545 0.995 -4.267 1.00 0.86 H new ATOM 0 HG LEU A 4 6.373 1.012 -4.980 1.00 0.64 H new ATOM 0 HD11 LEU A 4 5.809 3.208 -5.926 1.00 1.06 H new ATOM 0 HD12 LEU A 4 7.046 3.324 -4.652 1.00 1.06 H new ATOM 0 HD13 LEU A 4 7.517 3.453 -6.363 1.00 1.06 H new ATOM 0 HD21 LEU A 4 5.627 1.156 -7.318 1.00 0.68 H new ATOM 0 HD22 LEU A 4 7.323 1.265 -7.847 1.00 0.68 H new ATOM 0 HD23 LEU A 4 6.732 -0.213 -7.050 1.00 0.68 H new ATOM 75 N VAL A 5 9.780 1.334 -8.124 1.00 0.61 N ATOM 76 CA VAL A 5 9.754 1.485 -9.570 1.00 0.62 C ATOM 77 C VAL A 5 8.371 1.978 -10.001 1.00 0.60 C ATOM 78 O VAL A 5 8.192 3.161 -10.289 1.00 0.68 O ATOM 79 CB VAL A 5 10.155 0.169 -10.240 1.00 0.61 C ATOM 80 CG1 VAL A 5 10.027 0.268 -11.761 1.00 0.71 C ATOM 81 CG2 VAL A 5 11.571 -0.243 -9.835 1.00 0.71 C ATOM 0 H VAL A 5 10.028 0.400 -7.797 1.00 0.61 H new ATOM 0 HA VAL A 5 10.480 2.232 -9.890 1.00 0.62 H new ATOM 0 HB VAL A 5 9.470 -0.605 -9.895 1.00 0.61 H new ATOM 0 HG11 VAL A 5 10.318 -0.680 -12.213 1.00 0.71 H new ATOM 0 HG12 VAL A 5 8.994 0.494 -12.025 1.00 0.71 H new ATOM 0 HG13 VAL A 5 10.678 1.061 -12.130 1.00 0.71 H new ATOM 0 HG21 VAL A 5 11.831 -1.181 -10.325 1.00 0.71 H new ATOM 0 HG22 VAL A 5 12.276 0.532 -10.137 1.00 0.71 H new ATOM 0 HG23 VAL A 5 11.617 -0.373 -8.754 1.00 0.71 H new ATOM 91 N SER A 6 7.429 1.047 -10.034 1.00 0.55 N ATOM 92 CA SER A 6 6.069 1.373 -10.426 1.00 0.55 C ATOM 93 C SER A 6 5.077 0.508 -9.645 1.00 0.47 C ATOM 94 O SER A 6 5.404 -0.608 -9.242 1.00 0.46 O ATOM 95 CB SER A 6 5.868 1.182 -11.931 1.00 0.60 C ATOM 96 OG SER A 6 7.024 1.556 -12.674 1.00 0.72 O ATOM 0 H SER A 6 7.581 0.067 -9.796 1.00 0.55 H new ATOM 0 HA SER A 6 5.889 2.422 -10.193 1.00 0.55 H new ATOM 0 HB2 SER A 6 5.627 0.139 -12.135 1.00 0.60 H new ATOM 0 HB3 SER A 6 5.016 1.776 -12.262 1.00 0.60 H new ATOM 0 HG SER A 6 6.857 1.418 -13.630 1.00 0.72 H new ATOM 102 N SER A 7 3.885 1.054 -9.454 1.00 0.44 N ATOM 103 CA SER A 7 2.845 0.347 -8.728 1.00 0.38 C ATOM 104 C SER A 7 1.470 0.896 -9.116 1.00 0.38 C ATOM 105 O SER A 7 1.371 1.973 -9.701 1.00 0.43 O ATOM 106 CB SER A 7 3.054 0.459 -7.217 1.00 0.35 C ATOM 107 OG SER A 7 3.247 1.808 -6.802 1.00 0.44 O ATOM 0 H SER A 7 3.617 1.979 -9.790 1.00 0.44 H new ATOM 0 HA SER A 7 2.897 -0.708 -8.997 1.00 0.38 H new ATOM 0 HB2 SER A 7 2.190 0.041 -6.700 1.00 0.35 H new ATOM 0 HB3 SER A 7 3.919 -0.137 -6.926 1.00 0.35 H new ATOM 0 HG SER A 7 3.375 1.836 -5.831 1.00 0.44 H new ATOM 113 N THR A 8 0.445 0.129 -8.776 1.00 0.34 N ATOM 114 CA THR A 8 -0.919 0.525 -9.081 1.00 0.35 C ATOM 115 C THR A 8 -1.827 0.286 -7.873 1.00 0.32 C ATOM 116 O THR A 8 -2.789 -0.477 -7.956 1.00 0.34 O ATOM 117 CB THR A 8 -1.362 -0.233 -10.334 1.00 0.40 C ATOM 118 OG1 THR A 8 -0.516 0.272 -11.363 1.00 0.60 O ATOM 119 CG2 THR A 8 -2.771 0.156 -10.787 1.00 0.52 C ATOM 0 H THR A 8 0.532 -0.765 -8.292 1.00 0.34 H new ATOM 0 HA THR A 8 -0.984 1.593 -9.290 1.00 0.35 H new ATOM 0 HB THR A 8 -1.326 -1.305 -10.140 1.00 0.40 H new ATOM 0 HG1 THR A 8 -0.734 -0.168 -12.211 1.00 0.60 H new ATOM 0 HG21 THR A 8 -3.036 -0.411 -11.680 1.00 0.52 H new ATOM 0 HG22 THR A 8 -3.483 -0.066 -9.992 1.00 0.52 H new ATOM 0 HG23 THR A 8 -2.799 1.222 -11.013 1.00 0.52 H new ATOM 127 N PRO A 9 -1.481 0.968 -6.749 1.00 0.30 N ATOM 128 CA PRO A 9 -2.253 0.837 -5.526 1.00 0.29 C ATOM 129 C PRO A 9 -3.574 1.604 -5.626 1.00 0.31 C ATOM 130 O PRO A 9 -4.637 1.002 -5.765 1.00 0.41 O ATOM 131 CB PRO A 9 -1.344 1.362 -4.427 1.00 0.29 C ATOM 132 CG PRO A 9 -0.282 2.195 -5.129 1.00 0.30 C ATOM 133 CD PRO A 9 -0.348 1.880 -6.613 1.00 0.30 C ATOM 0 HA PRO A 9 -2.546 -0.193 -5.323 1.00 0.29 H new ATOM 0 HB2 PRO A 9 -1.904 1.965 -3.711 1.00 0.29 H new ATOM 0 HB3 PRO A 9 -0.892 0.542 -3.869 1.00 0.29 H new ATOM 0 HG2 PRO A 9 -0.454 3.257 -4.956 1.00 0.30 H new ATOM 0 HG3 PRO A 9 0.707 1.964 -4.733 1.00 0.30 H new ATOM 0 HD2 PRO A 9 -0.495 2.784 -7.204 1.00 0.30 H new ATOM 0 HD3 PRO A 9 0.576 1.418 -6.961 1.00 0.30 H new ATOM 141 N ALA A 10 -3.463 2.923 -5.554 1.00 0.33 N ATOM 142 CA ALA A 10 -4.634 3.778 -5.635 1.00 0.36 C ATOM 143 C ALA A 10 -4.203 5.240 -5.499 1.00 0.36 C ATOM 144 O ALA A 10 -4.843 6.016 -4.791 1.00 0.37 O ATOM 145 CB ALA A 10 -5.643 3.366 -4.561 1.00 0.38 C ATOM 0 H ALA A 10 -2.579 3.420 -5.440 1.00 0.33 H new ATOM 0 HA ALA A 10 -5.124 3.667 -6.602 1.00 0.36 H new ATOM 0 HB1 ALA A 10 -6.522 4.008 -4.622 1.00 0.38 H new ATOM 0 HB2 ALA A 10 -5.939 2.329 -4.719 1.00 0.38 H new ATOM 0 HB3 ALA A 10 -5.188 3.467 -3.576 1.00 0.38 H new ATOM 151 N GLU A 11 -3.120 5.571 -6.188 1.00 0.41 N ATOM 152 CA GLU A 11 -2.596 6.926 -6.154 1.00 0.49 C ATOM 153 C GLU A 11 -3.743 7.939 -6.157 1.00 0.53 C ATOM 154 O GLU A 11 -4.421 8.111 -7.168 1.00 0.59 O ATOM 155 CB GLU A 11 -1.642 7.174 -7.323 1.00 0.59 C ATOM 156 CG GLU A 11 -0.184 7.099 -6.866 1.00 0.60 C ATOM 157 CD GLU A 11 0.685 6.403 -7.916 1.00 1.11 C ATOM 158 OE1 GLU A 11 0.278 5.373 -8.473 1.00 2.24 O ATOM 159 OE2 GLU A 11 1.820 6.971 -8.148 1.00 1.64 O ATOM 0 H GLU A 11 -2.591 4.924 -6.773 1.00 0.41 H new ATOM 0 HA GLU A 11 -2.028 7.052 -5.232 1.00 0.49 H new ATOM 0 HB2 GLU A 11 -1.820 6.436 -8.105 1.00 0.59 H new ATOM 0 HB3 GLU A 11 -1.841 8.154 -7.758 1.00 0.59 H new ATOM 0 HG2 GLU A 11 0.196 8.104 -6.683 1.00 0.60 H new ATOM 0 HG3 GLU A 11 -0.123 6.558 -5.922 1.00 0.60 H new ATOM 166 N GLY A 12 -3.925 8.583 -5.013 1.00 0.52 N ATOM 167 CA GLY A 12 -4.977 9.573 -4.872 1.00 0.57 C ATOM 168 C GLY A 12 -6.246 9.135 -5.607 1.00 0.62 C ATOM 169 O GLY A 12 -6.933 9.957 -6.211 1.00 0.79 O ATOM 0 H GLY A 12 -3.361 8.438 -4.176 1.00 0.52 H new ATOM 0 HA2 GLY A 12 -5.199 9.725 -3.816 1.00 0.57 H new ATOM 0 HA3 GLY A 12 -4.636 10.530 -5.267 1.00 0.57 H new ATOM 173 N SER A 13 -6.518 7.841 -5.530 1.00 0.55 N ATOM 174 CA SER A 13 -7.691 7.283 -6.182 1.00 0.62 C ATOM 175 C SER A 13 -8.956 7.712 -5.435 1.00 0.52 C ATOM 176 O SER A 13 -9.335 7.093 -4.442 1.00 0.51 O ATOM 177 CB SER A 13 -7.609 5.758 -6.254 1.00 0.80 C ATOM 178 OG SER A 13 -7.201 5.306 -7.543 1.00 1.19 O ATOM 0 H SER A 13 -5.947 7.163 -5.026 1.00 0.55 H new ATOM 0 HA SER A 13 -7.730 7.665 -7.202 1.00 0.62 H new ATOM 0 HB2 SER A 13 -6.906 5.397 -5.504 1.00 0.80 H new ATOM 0 HB3 SER A 13 -8.582 5.331 -6.011 1.00 0.80 H new ATOM 0 HG SER A 13 -7.159 4.327 -7.548 1.00 1.19 H new ATOM 184 N GLU A 14 -9.575 8.769 -5.942 1.00 0.57 N ATOM 185 CA GLU A 14 -10.790 9.287 -5.336 1.00 0.63 C ATOM 186 C GLU A 14 -12.013 8.861 -6.151 1.00 0.73 C ATOM 187 O GLU A 14 -12.080 9.112 -7.353 1.00 0.81 O ATOM 188 CB GLU A 14 -10.726 10.808 -5.195 1.00 0.79 C ATOM 189 CG GLU A 14 -9.399 11.247 -4.573 1.00 0.84 C ATOM 190 CD GLU A 14 -9.083 12.702 -4.925 1.00 1.08 C ATOM 191 OE1 GLU A 14 -10.003 13.490 -5.190 1.00 1.23 O ATOM 192 OE2 GLU A 14 -7.829 13.005 -4.917 1.00 1.81 O ATOM 0 H GLU A 14 -9.258 9.280 -6.765 1.00 0.57 H new ATOM 0 HA GLU A 14 -10.882 8.867 -4.335 1.00 0.63 H new ATOM 0 HB2 GLU A 14 -10.844 11.273 -6.174 1.00 0.79 H new ATOM 0 HB3 GLU A 14 -11.554 11.154 -4.576 1.00 0.79 H new ATOM 0 HG2 GLU A 14 -9.446 11.133 -3.490 1.00 0.84 H new ATOM 0 HG3 GLU A 14 -8.596 10.601 -4.927 1.00 0.84 H new ATOM 199 N GLY A 15 -12.950 8.224 -5.464 1.00 0.78 N ATOM 200 CA GLY A 15 -14.167 7.762 -6.109 1.00 0.96 C ATOM 201 C GLY A 15 -14.618 6.420 -5.530 1.00 0.62 C ATOM 202 O GLY A 15 -15.796 6.234 -5.229 1.00 0.53 O ATOM 0 H GLY A 15 -12.891 8.017 -4.467 1.00 0.78 H new ATOM 0 HA2 GLY A 15 -14.956 8.502 -5.978 1.00 0.96 H new ATOM 0 HA3 GLY A 15 -13.999 7.662 -7.181 1.00 0.96 H new ATOM 206 N ALA A 16 -13.657 5.518 -5.393 1.00 0.81 N ATOM 207 CA ALA A 16 -13.941 4.198 -4.856 1.00 0.89 C ATOM 208 C ALA A 16 -12.624 3.497 -4.512 1.00 1.31 C ATOM 209 O ALA A 16 -11.562 3.899 -4.985 1.00 1.96 O ATOM 210 CB ALA A 16 -14.777 3.406 -5.862 1.00 1.19 C ATOM 0 H ALA A 16 -12.681 5.675 -5.645 1.00 0.81 H new ATOM 0 HA ALA A 16 -14.523 4.275 -3.938 1.00 0.89 H new ATOM 0 HB1 ALA A 16 -14.990 2.416 -5.459 1.00 1.19 H new ATOM 0 HB2 ALA A 16 -15.714 3.931 -6.049 1.00 1.19 H new ATOM 0 HB3 ALA A 16 -14.224 3.306 -6.796 1.00 1.19 H new ATOM 216 N ALA A 17 -12.738 2.464 -3.690 1.00 1.06 N ATOM 217 CA ALA A 17 -11.569 1.704 -3.278 1.00 1.41 C ATOM 218 C ALA A 17 -11.300 0.596 -4.297 1.00 1.18 C ATOM 219 O ALA A 17 -12.233 -0.025 -4.805 1.00 1.08 O ATOM 220 CB ALA A 17 -11.789 1.157 -1.866 1.00 1.84 C ATOM 0 H ALA A 17 -13.621 2.135 -3.298 1.00 1.06 H new ATOM 0 HA ALA A 17 -10.687 2.343 -3.247 1.00 1.41 H new ATOM 0 HB1 ALA A 17 -10.913 0.587 -1.556 1.00 1.84 H new ATOM 0 HB2 ALA A 17 -11.946 1.985 -1.175 1.00 1.84 H new ATOM 0 HB3 ALA A 17 -12.665 0.508 -1.859 1.00 1.84 H new ATOM 226 N PRO A 18 -9.987 0.377 -4.575 1.00 1.15 N ATOM 227 CA PRO A 18 -9.584 -0.646 -5.525 1.00 1.02 C ATOM 228 C PRO A 18 -9.726 -2.044 -4.920 1.00 0.96 C ATOM 229 O PRO A 18 -9.595 -2.216 -3.709 1.00 1.48 O ATOM 230 CB PRO A 18 -8.150 -0.299 -5.891 1.00 1.14 C ATOM 231 CG PRO A 18 -7.650 0.623 -4.790 1.00 1.30 C ATOM 232 CD PRO A 18 -8.856 1.093 -3.994 1.00 1.34 C ATOM 0 HA PRO A 18 -10.214 -0.666 -6.414 1.00 1.02 H new ATOM 0 HB2 PRO A 18 -7.536 -1.197 -5.957 1.00 1.14 H new ATOM 0 HB3 PRO A 18 -8.103 0.192 -6.863 1.00 1.14 H new ATOM 0 HG2 PRO A 18 -6.946 0.099 -4.143 1.00 1.30 H new ATOM 0 HG3 PRO A 18 -7.119 1.474 -5.216 1.00 1.30 H new ATOM 0 HD2 PRO A 18 -8.745 0.864 -2.934 1.00 1.34 H new ATOM 0 HD3 PRO A 18 -8.987 2.172 -4.074 1.00 1.34 H new ATOM 240 N ALA A 19 -9.991 -3.007 -5.790 1.00 0.64 N ATOM 241 CA ALA A 19 -10.151 -4.384 -5.356 1.00 0.70 C ATOM 242 C ALA A 19 -8.869 -4.847 -4.660 1.00 0.61 C ATOM 243 O ALA A 19 -8.926 -5.489 -3.612 1.00 0.64 O ATOM 244 CB ALA A 19 -10.511 -5.259 -6.558 1.00 0.90 C ATOM 0 H ALA A 19 -10.099 -2.861 -6.794 1.00 0.64 H new ATOM 0 HA ALA A 19 -10.965 -4.468 -4.636 1.00 0.70 H new ATOM 0 HB1 ALA A 19 -10.631 -6.292 -6.233 1.00 0.90 H new ATOM 0 HB2 ALA A 19 -11.444 -4.906 -6.998 1.00 0.90 H new ATOM 0 HB3 ALA A 19 -9.715 -5.203 -7.301 1.00 0.90 H new ATOM 250 N LYS A 20 -7.745 -4.505 -5.271 1.00 0.53 N ATOM 251 CA LYS A 20 -6.453 -4.877 -4.723 1.00 0.48 C ATOM 252 C LYS A 20 -5.392 -3.889 -5.212 1.00 0.42 C ATOM 253 O LYS A 20 -5.489 -3.366 -6.321 1.00 0.48 O ATOM 254 CB LYS A 20 -6.131 -6.337 -5.052 1.00 0.50 C ATOM 255 CG LYS A 20 -6.227 -6.593 -6.557 1.00 0.52 C ATOM 256 CD LYS A 20 -5.283 -7.719 -6.983 1.00 1.69 C ATOM 257 CE LYS A 20 -5.975 -8.677 -7.955 1.00 1.91 C ATOM 258 NZ LYS A 20 -6.136 -10.012 -7.339 1.00 3.17 N ATOM 0 H LYS A 20 -7.702 -3.974 -6.141 1.00 0.53 H new ATOM 0 HA LYS A 20 -6.470 -4.815 -3.635 1.00 0.48 H new ATOM 0 HB2 LYS A 20 -5.128 -6.580 -4.701 1.00 0.50 H new ATOM 0 HB3 LYS A 20 -6.822 -6.994 -4.523 1.00 0.50 H new ATOM 0 HG2 LYS A 20 -7.252 -6.854 -6.820 1.00 0.52 H new ATOM 0 HG3 LYS A 20 -5.980 -5.681 -7.101 1.00 0.52 H new ATOM 0 HD2 LYS A 20 -4.396 -7.296 -7.454 1.00 1.69 H new ATOM 0 HD3 LYS A 20 -4.946 -8.268 -6.104 1.00 1.69 H new ATOM 0 HE2 LYS A 20 -6.950 -8.279 -8.235 1.00 1.91 H new ATOM 0 HE3 LYS A 20 -5.390 -8.761 -8.871 1.00 1.91 H new ATOM 0 HZ1 LYS A 20 -6.607 -10.650 -8.012 1.00 3.17 H new ATOM 0 HZ2 LYS A 20 -5.201 -10.396 -7.094 1.00 3.17 H new ATOM 0 HZ3 LYS A 20 -6.713 -9.930 -6.478 1.00 3.17 H new ATOM 272 N ILE A 21 -4.402 -3.662 -4.361 1.00 0.38 N ATOM 273 CA ILE A 21 -3.325 -2.746 -4.692 1.00 0.35 C ATOM 274 C ILE A 21 -2.242 -3.498 -5.469 1.00 0.36 C ATOM 275 O ILE A 21 -1.936 -4.649 -5.158 1.00 0.40 O ATOM 276 CB ILE A 21 -2.806 -2.051 -3.432 1.00 0.36 C ATOM 277 CG1 ILE A 21 -3.571 -0.753 -3.167 1.00 0.37 C ATOM 278 CG2 ILE A 21 -1.295 -1.818 -3.516 1.00 0.37 C ATOM 279 CD1 ILE A 21 -4.397 -0.856 -1.882 1.00 0.41 C ATOM 0 H ILE A 21 -4.324 -4.097 -3.442 1.00 0.38 H new ATOM 0 HA ILE A 21 -3.689 -1.949 -5.341 1.00 0.35 H new ATOM 0 HB ILE A 21 -2.984 -2.710 -2.582 1.00 0.36 H new ATOM 0 HG12 ILE A 21 -2.869 0.077 -3.087 1.00 0.37 H new ATOM 0 HG13 ILE A 21 -4.228 -0.535 -4.009 1.00 0.37 H new ATOM 0 HG21 ILE A 21 -0.952 -1.323 -2.608 1.00 0.37 H new ATOM 0 HG22 ILE A 21 -0.785 -2.775 -3.622 1.00 0.37 H new ATOM 0 HG23 ILE A 21 -1.071 -1.190 -4.378 1.00 0.37 H new ATOM 0 HD11 ILE A 21 -4.931 0.080 -1.717 1.00 0.41 H new ATOM 0 HD12 ILE A 21 -5.114 -1.672 -1.975 1.00 0.41 H new ATOM 0 HD13 ILE A 21 -3.735 -1.050 -1.038 1.00 0.41 H new ATOM 291 N GLU A 22 -1.693 -2.818 -6.464 1.00 0.36 N ATOM 292 CA GLU A 22 -0.651 -3.408 -7.288 1.00 0.37 C ATOM 293 C GLU A 22 0.692 -2.726 -7.016 1.00 0.36 C ATOM 294 O GLU A 22 0.738 -1.532 -6.723 1.00 0.34 O ATOM 295 CB GLU A 22 -1.015 -3.328 -8.773 1.00 0.40 C ATOM 296 CG GLU A 22 -1.135 -4.725 -9.383 1.00 0.45 C ATOM 297 CD GLU A 22 -1.057 -4.664 -10.911 1.00 0.89 C ATOM 298 OE1 GLU A 22 -1.696 -3.801 -11.530 1.00 1.95 O ATOM 299 OE2 GLU A 22 -0.297 -5.554 -11.454 1.00 1.51 O ATOM 0 H GLU A 22 -1.950 -1.864 -6.719 1.00 0.36 H new ATOM 0 HA GLU A 22 -0.561 -4.462 -7.025 1.00 0.37 H new ATOM 0 HB2 GLU A 22 -1.957 -2.793 -8.892 1.00 0.40 H new ATOM 0 HB3 GLU A 22 -0.255 -2.758 -9.307 1.00 0.40 H new ATOM 0 HG2 GLU A 22 -0.339 -5.363 -9.000 1.00 0.45 H new ATOM 0 HG3 GLU A 22 -2.079 -5.178 -9.081 1.00 0.45 H new ATOM 306 N LEU A 23 1.751 -3.514 -7.120 1.00 0.39 N ATOM 307 CA LEU A 23 3.090 -3.003 -6.888 1.00 0.40 C ATOM 308 C LEU A 23 4.081 -3.753 -7.781 1.00 0.43 C ATOM 309 O LEU A 23 3.918 -4.946 -8.028 1.00 0.45 O ATOM 310 CB LEU A 23 3.437 -3.063 -5.399 1.00 0.43 C ATOM 311 CG LEU A 23 2.415 -2.438 -4.446 1.00 0.38 C ATOM 312 CD1 LEU A 23 2.565 -3.007 -3.033 1.00 0.44 C ATOM 313 CD2 LEU A 23 2.512 -0.912 -4.464 1.00 0.42 C ATOM 0 H LEU A 23 1.709 -4.504 -7.362 1.00 0.39 H new ATOM 0 HA LEU A 23 3.147 -1.950 -7.163 1.00 0.40 H new ATOM 0 HB2 LEU A 23 3.573 -4.108 -5.120 1.00 0.43 H new ATOM 0 HB3 LEU A 23 4.395 -2.566 -5.249 1.00 0.43 H new ATOM 0 HG LEU A 23 1.416 -2.701 -4.794 1.00 0.38 H new ATOM 0 HD11 LEU A 23 1.828 -2.547 -2.375 1.00 0.44 H new ATOM 0 HD12 LEU A 23 2.408 -4.085 -3.056 1.00 0.44 H new ATOM 0 HD13 LEU A 23 3.567 -2.795 -2.660 1.00 0.44 H new ATOM 0 HD21 LEU A 23 1.775 -0.492 -3.779 1.00 0.42 H new ATOM 0 HD22 LEU A 23 3.511 -0.607 -4.154 1.00 0.42 H new ATOM 0 HD23 LEU A 23 2.318 -0.547 -5.473 1.00 0.42 H new ATOM 325 N HIS A 24 5.085 -3.021 -8.241 1.00 0.45 N ATOM 326 CA HIS A 24 6.102 -3.603 -9.101 1.00 0.50 C ATOM 327 C HIS A 24 7.485 -3.123 -8.657 1.00 0.53 C ATOM 328 O HIS A 24 7.612 -2.067 -8.039 1.00 0.54 O ATOM 329 CB HIS A 24 5.810 -3.295 -10.571 1.00 0.52 C ATOM 330 CG HIS A 24 4.759 -4.186 -11.188 1.00 0.54 C ATOM 331 ND1 HIS A 24 5.060 -5.396 -11.788 1.00 0.60 N ATOM 332 CD2 HIS A 24 3.407 -4.031 -11.292 1.00 0.57 C ATOM 333 CE1 HIS A 24 3.933 -5.936 -12.229 1.00 0.61 C ATOM 334 NE2 HIS A 24 2.910 -5.087 -11.921 1.00 0.59 N ATOM 0 H HIS A 24 5.216 -2.031 -8.035 1.00 0.45 H new ATOM 0 HA HIS A 24 6.086 -4.689 -9.007 1.00 0.50 H new ATOM 0 HB2 HIS A 24 5.488 -2.257 -10.657 1.00 0.52 H new ATOM 0 HB3 HIS A 24 6.734 -3.391 -11.142 1.00 0.52 H new ATOM 0 HD2 HIS A 24 2.838 -3.190 -10.924 1.00 0.57 H new ATOM 0 HE1 HIS A 24 3.840 -6.882 -12.742 1.00 0.61 H new ATOM 0 HE2 HIS A 24 1.925 -5.240 -12.139 1.00 0.59 H new ATOM 342 N PHE A 25 8.488 -3.922 -8.991 1.00 0.60 N ATOM 343 CA PHE A 25 9.858 -3.592 -8.636 1.00 0.64 C ATOM 344 C PHE A 25 10.849 -4.253 -9.595 1.00 0.72 C ATOM 345 O PHE A 25 11.105 -5.452 -9.500 1.00 1.02 O ATOM 346 CB PHE A 25 10.096 -4.131 -7.224 1.00 0.68 C ATOM 347 CG PHE A 25 9.469 -3.281 -6.118 1.00 0.70 C ATOM 348 CD1 PHE A 25 8.147 -3.414 -5.824 1.00 1.79 C ATOM 349 CD2 PHE A 25 10.233 -2.392 -5.428 1.00 1.95 C ATOM 350 CE1 PHE A 25 7.566 -2.624 -4.797 1.00 1.88 C ATOM 351 CE2 PHE A 25 9.650 -1.602 -4.402 1.00 2.05 C ATOM 352 CZ PHE A 25 8.329 -1.735 -4.108 1.00 1.11 C ATOM 0 H PHE A 25 8.379 -4.797 -9.504 1.00 0.60 H new ATOM 0 HA PHE A 25 10.006 -2.514 -8.691 1.00 0.64 H new ATOM 0 HB2 PHE A 25 9.696 -5.143 -7.161 1.00 0.68 H new ATOM 0 HB3 PHE A 25 11.170 -4.201 -7.049 1.00 0.68 H new ATOM 0 HD1 PHE A 25 7.540 -4.120 -6.371 1.00 1.79 H new ATOM 0 HD2 PHE A 25 11.282 -2.287 -5.660 1.00 1.95 H new ATOM 0 HE1 PHE A 25 6.517 -2.730 -4.563 1.00 1.88 H new ATOM 0 HE2 PHE A 25 10.256 -0.895 -3.855 1.00 2.05 H new ATOM 0 HZ PHE A 25 7.886 -1.134 -3.327 1.00 1.11 H new ATOM 362 N SER A 26 11.379 -3.441 -10.500 1.00 0.64 N ATOM 363 CA SER A 26 12.335 -3.933 -11.476 1.00 0.73 C ATOM 364 C SER A 26 13.658 -4.276 -10.787 1.00 0.85 C ATOM 365 O SER A 26 14.563 -4.826 -11.412 1.00 0.99 O ATOM 366 CB SER A 26 12.566 -2.905 -12.587 1.00 0.91 C ATOM 367 OG SER A 26 11.921 -3.277 -13.800 1.00 1.55 O ATOM 0 H SER A 26 11.164 -2.447 -10.577 1.00 0.64 H new ATOM 0 HA SER A 26 11.926 -4.835 -11.931 1.00 0.73 H new ATOM 0 HB2 SER A 26 12.196 -1.932 -12.263 1.00 0.91 H new ATOM 0 HB3 SER A 26 13.636 -2.797 -12.764 1.00 0.91 H new ATOM 0 HG SER A 26 12.091 -2.595 -14.483 1.00 1.55 H new ATOM 499 N GLY A 35 7.412 -4.347 3.545 1.00 0.89 N ATOM 500 CA GLY A 35 6.066 -4.603 4.029 1.00 1.10 C ATOM 501 C GLY A 35 5.159 -3.394 3.791 1.00 1.01 C ATOM 502 O GLY A 35 5.642 -2.285 3.570 1.00 1.28 O ATOM 0 HA2 GLY A 35 5.654 -5.476 3.524 1.00 1.10 H new ATOM 0 HA3 GLY A 35 6.096 -4.835 5.093 1.00 1.10 H new ATOM 506 N ALA A 36 3.860 -3.650 3.845 1.00 0.71 N ATOM 507 CA ALA A 36 2.880 -2.597 3.637 1.00 0.64 C ATOM 508 C ALA A 36 1.738 -2.765 4.641 1.00 0.58 C ATOM 509 O ALA A 36 1.537 -3.850 5.182 1.00 0.60 O ATOM 510 CB ALA A 36 2.393 -2.630 2.187 1.00 0.71 C ATOM 0 H ALA A 36 3.463 -4.571 4.030 1.00 0.71 H new ATOM 0 HA ALA A 36 3.327 -1.617 3.807 1.00 0.64 H new ATOM 0 HB1 ALA A 36 1.658 -1.840 2.032 1.00 0.71 H new ATOM 0 HB2 ALA A 36 3.238 -2.476 1.516 1.00 0.71 H new ATOM 0 HB3 ALA A 36 1.935 -3.597 1.979 1.00 0.71 H new ATOM 516 N LYS A 37 1.018 -1.673 4.857 1.00 0.55 N ATOM 517 CA LYS A 37 -0.100 -1.686 5.785 1.00 0.57 C ATOM 518 C LYS A 37 -1.087 -0.581 5.403 1.00 0.53 C ATOM 519 O LYS A 37 -0.698 0.573 5.233 1.00 0.52 O ATOM 520 CB LYS A 37 0.402 -1.591 7.228 1.00 0.69 C ATOM 521 CG LYS A 37 0.228 -2.924 7.958 1.00 0.94 C ATOM 522 CD LYS A 37 0.763 -2.840 9.389 1.00 1.30 C ATOM 523 CE LYS A 37 1.402 -4.164 9.813 1.00 1.77 C ATOM 524 NZ LYS A 37 2.356 -3.947 10.924 1.00 2.54 N ATOM 0 H LYS A 37 1.187 -0.774 4.405 1.00 0.55 H new ATOM 0 HA LYS A 37 -0.639 -2.631 5.720 1.00 0.57 H new ATOM 0 HB2 LYS A 37 1.454 -1.304 7.233 1.00 0.69 H new ATOM 0 HB3 LYS A 37 -0.144 -0.809 7.756 1.00 0.69 H new ATOM 0 HG2 LYS A 37 -0.827 -3.198 7.976 1.00 0.94 H new ATOM 0 HG3 LYS A 37 0.752 -3.711 7.416 1.00 0.94 H new ATOM 0 HD2 LYS A 37 1.498 -2.038 9.460 1.00 1.30 H new ATOM 0 HD3 LYS A 37 -0.050 -2.589 10.071 1.00 1.30 H new ATOM 0 HE2 LYS A 37 0.627 -4.866 10.123 1.00 1.77 H new ATOM 0 HE3 LYS A 37 1.919 -4.613 8.965 1.00 1.77 H new ATOM 0 HZ1 LYS A 37 2.781 -4.856 11.199 1.00 2.54 H new ATOM 0 HZ2 LYS A 37 3.105 -3.294 10.616 1.00 2.54 H new ATOM 0 HZ3 LYS A 37 1.854 -3.539 11.738 1.00 2.54 H new ATOM 538 N LEU A 38 -2.346 -0.974 5.279 1.00 0.52 N ATOM 539 CA LEU A 38 -3.392 -0.033 4.920 1.00 0.49 C ATOM 540 C LEU A 38 -4.092 0.455 6.191 1.00 0.56 C ATOM 541 O LEU A 38 -4.466 -0.348 7.045 1.00 0.68 O ATOM 542 CB LEU A 38 -4.343 -0.652 3.895 1.00 0.48 C ATOM 543 CG LEU A 38 -5.610 0.147 3.584 1.00 0.47 C ATOM 544 CD1 LEU A 38 -5.293 1.636 3.424 1.00 0.52 C ATOM 545 CD2 LEU A 38 -6.330 -0.420 2.359 1.00 0.68 C ATOM 0 H LEU A 38 -2.665 -1.932 5.421 1.00 0.52 H new ATOM 0 HA LEU A 38 -2.964 0.843 4.434 1.00 0.49 H new ATOM 0 HB2 LEU A 38 -3.795 -0.802 2.965 1.00 0.48 H new ATOM 0 HB3 LEU A 38 -4.639 -1.638 4.253 1.00 0.48 H new ATOM 0 HG LEU A 38 -6.291 0.051 4.430 1.00 0.47 H new ATOM 0 HD11 LEU A 38 -6.210 2.182 3.203 1.00 0.52 H new ATOM 0 HD12 LEU A 38 -4.858 2.017 4.348 1.00 0.52 H new ATOM 0 HD13 LEU A 38 -4.585 1.771 2.607 1.00 0.52 H new ATOM 0 HD21 LEU A 38 -7.227 0.167 2.160 1.00 0.68 H new ATOM 0 HD22 LEU A 38 -5.668 -0.375 1.494 1.00 0.68 H new ATOM 0 HD23 LEU A 38 -6.609 -1.457 2.548 1.00 0.68 H new ATOM 557 N VAL A 39 -4.248 1.768 6.276 1.00 0.56 N ATOM 558 CA VAL A 39 -4.896 2.372 7.428 1.00 0.64 C ATOM 559 C VAL A 39 -6.020 3.293 6.950 1.00 0.62 C ATOM 560 O VAL A 39 -5.831 4.079 6.024 1.00 0.59 O ATOM 561 CB VAL A 39 -3.860 3.091 8.293 1.00 0.75 C ATOM 562 CG1 VAL A 39 -2.676 2.175 8.607 1.00 0.77 C ATOM 563 CG2 VAL A 39 -3.389 4.384 7.624 1.00 0.81 C ATOM 0 H VAL A 39 -3.937 2.431 5.566 1.00 0.56 H new ATOM 0 HA VAL A 39 -5.349 1.606 8.057 1.00 0.64 H new ATOM 0 HB VAL A 39 -4.338 3.356 9.236 1.00 0.75 H new ATOM 0 HG11 VAL A 39 -1.954 2.711 9.223 1.00 0.77 H new ATOM 0 HG12 VAL A 39 -3.029 1.295 9.145 1.00 0.77 H new ATOM 0 HG13 VAL A 39 -2.199 1.865 7.677 1.00 0.77 H new ATOM 0 HG21 VAL A 39 -2.653 4.876 8.260 1.00 0.81 H new ATOM 0 HG22 VAL A 39 -2.938 4.151 6.660 1.00 0.81 H new ATOM 0 HG23 VAL A 39 -4.241 5.048 7.475 1.00 0.81 H new ATOM 573 N MET A 40 -7.166 3.164 7.605 1.00 0.69 N ATOM 574 CA MET A 40 -8.320 3.975 7.258 1.00 0.70 C ATOM 575 C MET A 40 -8.302 5.305 8.015 1.00 0.78 C ATOM 576 O MET A 40 -8.834 5.402 9.119 1.00 0.90 O ATOM 577 CB MET A 40 -9.601 3.212 7.598 1.00 0.74 C ATOM 578 CG MET A 40 -10.839 4.072 7.332 1.00 0.81 C ATOM 579 SD MET A 40 -11.545 4.618 8.877 1.00 0.88 S ATOM 580 CE MET A 40 -13.258 4.195 8.601 1.00 1.84 C ATOM 0 H MET A 40 -7.319 2.510 8.373 1.00 0.69 H new ATOM 0 HA MET A 40 -8.285 4.185 6.189 1.00 0.70 H new ATOM 0 HB2 MET A 40 -9.653 2.299 7.004 1.00 0.74 H new ATOM 0 HB3 MET A 40 -9.582 2.910 8.645 1.00 0.74 H new ATOM 0 HG2 MET A 40 -10.569 4.934 6.721 1.00 0.81 H new ATOM 0 HG3 MET A 40 -11.575 3.500 6.768 1.00 0.81 H new ATOM 0 HE1 MET A 40 -13.846 4.471 9.476 1.00 1.84 H new ATOM 0 HE2 MET A 40 -13.630 4.733 7.729 1.00 1.84 H new ATOM 0 HE3 MET A 40 -13.345 3.122 8.429 1.00 1.84 H new ATOM 590 N THR A 41 -7.685 6.298 7.389 1.00 0.73 N ATOM 591 CA THR A 41 -7.591 7.617 7.990 1.00 0.81 C ATOM 592 C THR A 41 -8.669 8.540 7.419 1.00 0.93 C ATOM 593 O THR A 41 -8.359 9.574 6.830 1.00 1.01 O ATOM 594 CB THR A 41 -6.168 8.136 7.771 1.00 0.84 C ATOM 595 OG1 THR A 41 -6.265 9.533 8.034 1.00 0.94 O ATOM 596 CG2 THR A 41 -5.738 8.063 6.304 1.00 1.01 C ATOM 0 H THR A 41 -7.246 6.215 6.472 1.00 0.73 H new ATOM 0 HA THR A 41 -7.776 7.577 9.063 1.00 0.81 H new ATOM 0 HB THR A 41 -5.473 7.561 8.383 1.00 0.84 H new ATOM 0 HG1 THR A 41 -6.740 9.972 7.298 1.00 0.94 H new ATOM 0 HG21 THR A 41 -4.721 8.443 6.204 1.00 1.01 H new ATOM 0 HG22 THR A 41 -5.773 7.027 5.966 1.00 1.01 H new ATOM 0 HG23 THR A 41 -6.413 8.666 5.697 1.00 1.01 H new ATOM 604 N ALA A 42 -9.915 8.134 7.615 1.00 0.96 N ATOM 605 CA ALA A 42 -11.041 8.911 7.127 1.00 1.11 C ATOM 606 C ALA A 42 -11.015 10.298 7.774 1.00 1.29 C ATOM 607 O ALA A 42 -10.839 10.420 8.985 1.00 2.75 O ATOM 608 CB ALA A 42 -12.343 8.160 7.412 1.00 1.25 C ATOM 0 H ALA A 42 -10.169 7.277 8.105 1.00 0.96 H new ATOM 0 HA ALA A 42 -10.974 9.048 6.048 1.00 1.11 H new ATOM 0 HB1 ALA A 42 -13.187 8.744 7.046 1.00 1.25 H new ATOM 0 HB2 ALA A 42 -12.324 7.194 6.908 1.00 1.25 H new ATOM 0 HB3 ALA A 42 -12.447 8.007 8.486 1.00 1.25 H new ATOM 726 N MET A 51 -6.762 4.170 11.328 1.00 1.15 N ATOM 727 CA MET A 51 -7.284 2.880 11.747 1.00 1.28 C ATOM 728 C MET A 51 -6.802 1.766 10.815 1.00 1.21 C ATOM 729 O MET A 51 -7.239 1.679 9.669 1.00 1.36 O ATOM 730 CB MET A 51 -8.813 2.924 11.744 1.00 1.35 C ATOM 731 CG MET A 51 -9.337 3.888 12.810 1.00 1.67 C ATOM 732 SD MET A 51 -10.164 2.977 14.103 1.00 2.03 S ATOM 733 CE MET A 51 -10.128 4.192 15.410 1.00 2.24 C ATOM 0 HA MET A 51 -6.920 2.669 12.753 1.00 1.28 H new ATOM 0 HB2 MET A 51 -9.169 3.234 10.762 1.00 1.35 H new ATOM 0 HB3 MET A 51 -9.209 1.925 11.926 1.00 1.35 H new ATOM 0 HG2 MET A 51 -8.511 4.463 13.230 1.00 1.67 H new ATOM 0 HG3 MET A 51 -10.026 4.602 12.359 1.00 1.67 H new ATOM 0 HE1 MET A 51 -10.608 3.784 16.300 1.00 2.24 H new ATOM 0 HE2 MET A 51 -9.094 4.448 15.641 1.00 2.24 H new ATOM 0 HE3 MET A 51 -10.660 5.087 15.089 1.00 2.24 H new ATOM 743 N ALA A 52 -5.909 0.942 11.343 1.00 1.07 N ATOM 744 CA ALA A 52 -5.364 -0.163 10.574 1.00 1.01 C ATOM 745 C ALA A 52 -6.512 -1.023 10.042 1.00 0.98 C ATOM 746 O ALA A 52 -7.535 -1.178 10.705 1.00 1.11 O ATOM 747 CB ALA A 52 -4.392 -0.961 11.445 1.00 1.19 C ATOM 0 H ALA A 52 -5.549 1.018 12.294 1.00 1.07 H new ATOM 0 HA ALA A 52 -4.803 0.206 9.715 1.00 1.01 H new ATOM 0 HB1 ALA A 52 -3.983 -1.790 10.868 1.00 1.19 H new ATOM 0 HB2 ALA A 52 -3.580 -0.312 11.773 1.00 1.19 H new ATOM 0 HB3 ALA A 52 -4.919 -1.350 12.316 1.00 1.19 H new ATOM 753 N VAL A 53 -6.301 -1.562 8.849 1.00 0.86 N ATOM 754 CA VAL A 53 -7.306 -2.403 8.221 1.00 0.87 C ATOM 755 C VAL A 53 -6.729 -3.804 8.004 1.00 0.89 C ATOM 756 O VAL A 53 -5.589 -3.949 7.567 1.00 1.13 O ATOM 757 CB VAL A 53 -7.797 -1.753 6.926 1.00 0.78 C ATOM 758 CG1 VAL A 53 -6.959 -2.210 5.730 1.00 0.80 C ATOM 759 CG2 VAL A 53 -9.283 -2.039 6.697 1.00 0.85 C ATOM 0 H VAL A 53 -5.450 -1.433 8.302 1.00 0.86 H new ATOM 0 HA VAL A 53 -8.177 -2.506 8.869 1.00 0.87 H new ATOM 0 HB VAL A 53 -7.676 -0.674 7.026 1.00 0.78 H new ATOM 0 HG11 VAL A 53 -7.329 -1.733 4.823 1.00 0.80 H new ATOM 0 HG12 VAL A 53 -5.917 -1.930 5.888 1.00 0.80 H new ATOM 0 HG13 VAL A 53 -7.032 -3.293 5.627 1.00 0.80 H new ATOM 0 HG21 VAL A 53 -9.606 -1.565 5.770 1.00 0.85 H new ATOM 0 HG22 VAL A 53 -9.440 -3.115 6.629 1.00 0.85 H new ATOM 0 HG23 VAL A 53 -9.863 -1.640 7.529 1.00 0.85 H new ATOM 769 N LYS A 54 -7.543 -4.799 8.322 1.00 0.78 N ATOM 770 CA LYS A 54 -7.129 -6.183 8.168 1.00 0.81 C ATOM 771 C LYS A 54 -6.840 -6.463 6.692 1.00 0.69 C ATOM 772 O LYS A 54 -7.753 -6.756 5.922 1.00 0.88 O ATOM 773 CB LYS A 54 -8.167 -7.126 8.780 1.00 0.97 C ATOM 774 CG LYS A 54 -7.854 -7.403 10.252 1.00 1.74 C ATOM 775 CD LYS A 54 -9.013 -8.137 10.930 1.00 1.92 C ATOM 776 CE LYS A 54 -8.721 -9.634 11.046 1.00 3.07 C ATOM 777 NZ LYS A 54 -9.966 -10.386 11.319 1.00 3.51 N ATOM 0 H LYS A 54 -8.488 -4.674 8.686 1.00 0.78 H new ATOM 0 HA LYS A 54 -6.205 -6.366 8.716 1.00 0.81 H new ATOM 0 HB2 LYS A 54 -9.160 -6.686 8.692 1.00 0.97 H new ATOM 0 HB3 LYS A 54 -8.184 -8.064 8.225 1.00 0.97 H new ATOM 0 HG2 LYS A 54 -6.946 -8.001 10.328 1.00 1.74 H new ATOM 0 HG3 LYS A 54 -7.661 -6.463 10.770 1.00 1.74 H new ATOM 0 HD2 LYS A 54 -9.183 -7.718 11.922 1.00 1.92 H new ATOM 0 HD3 LYS A 54 -9.929 -7.985 10.359 1.00 1.92 H new ATOM 0 HE2 LYS A 54 -8.267 -9.994 10.123 1.00 3.07 H new ATOM 0 HE3 LYS A 54 -8.001 -9.809 11.845 1.00 3.07 H new ATOM 0 HZ1 LYS A 54 -9.749 -11.400 11.395 1.00 3.51 H new ATOM 0 HZ2 LYS A 54 -10.384 -10.054 12.212 1.00 3.51 H new ATOM 0 HZ3 LYS A 54 -10.641 -10.233 10.543 1.00 3.51 H new ATOM 791 N ALA A 55 -5.566 -6.363 6.342 1.00 0.57 N ATOM 792 CA ALA A 55 -5.145 -6.602 4.971 1.00 0.50 C ATOM 793 C ALA A 55 -3.988 -7.602 4.964 1.00 0.50 C ATOM 794 O ALA A 55 -3.497 -7.996 6.021 1.00 0.57 O ATOM 795 CB ALA A 55 -4.771 -5.272 4.313 1.00 0.51 C ATOM 0 H ALA A 55 -4.811 -6.120 6.984 1.00 0.57 H new ATOM 0 HA ALA A 55 -5.958 -7.036 4.390 1.00 0.50 H new ATOM 0 HB1 ALA A 55 -4.455 -5.451 3.285 1.00 0.51 H new ATOM 0 HB2 ALA A 55 -5.636 -4.608 4.317 1.00 0.51 H new ATOM 0 HB3 ALA A 55 -3.955 -4.808 4.868 1.00 0.51 H new ATOM 801 N ALA A 56 -3.585 -7.984 3.761 1.00 0.50 N ATOM 802 CA ALA A 56 -2.494 -8.932 3.603 1.00 0.54 C ATOM 803 C ALA A 56 -1.757 -8.641 2.294 1.00 0.48 C ATOM 804 O ALA A 56 -2.384 -8.340 1.279 1.00 0.49 O ATOM 805 CB ALA A 56 -3.046 -10.358 3.657 1.00 0.65 C ATOM 0 H ALA A 56 -3.994 -7.655 2.887 1.00 0.50 H new ATOM 0 HA ALA A 56 -1.775 -8.829 4.416 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.229 -11.069 3.539 1.00 0.65 H new ATOM 0 HB2 ALA A 56 -3.534 -10.523 4.617 1.00 0.65 H new ATOM 0 HB3 ALA A 56 -3.769 -10.499 2.853 1.00 0.65 H new ATOM 811 N VAL A 57 -0.438 -8.739 2.361 1.00 0.53 N ATOM 812 CA VAL A 57 0.391 -8.490 1.194 1.00 0.50 C ATOM 813 C VAL A 57 0.745 -9.823 0.532 1.00 0.52 C ATOM 814 O VAL A 57 1.291 -10.716 1.178 1.00 0.59 O ATOM 815 CB VAL A 57 1.623 -7.674 1.592 1.00 0.55 C ATOM 816 CG1 VAL A 57 2.575 -7.506 0.406 1.00 2.51 C ATOM 817 CG2 VAL A 57 1.217 -6.315 2.166 1.00 2.48 C ATOM 0 H VAL A 57 0.078 -8.987 3.205 1.00 0.53 H new ATOM 0 HA VAL A 57 -0.152 -7.896 0.459 1.00 0.50 H new ATOM 0 HB VAL A 57 2.152 -8.223 2.371 1.00 0.55 H new ATOM 0 HG11 VAL A 57 3.442 -6.923 0.715 1.00 2.51 H new ATOM 0 HG12 VAL A 57 2.902 -8.487 0.060 1.00 2.51 H new ATOM 0 HG13 VAL A 57 2.060 -6.989 -0.404 1.00 2.51 H new ATOM 0 HG21 VAL A 57 2.111 -5.755 2.441 1.00 2.48 H new ATOM 0 HG22 VAL A 57 0.655 -5.757 1.417 1.00 2.48 H new ATOM 0 HG23 VAL A 57 0.596 -6.464 3.049 1.00 2.48 H new ATOM 827 N SER A 58 0.421 -9.915 -0.749 1.00 0.50 N ATOM 828 CA SER A 58 0.698 -11.124 -1.506 1.00 0.56 C ATOM 829 C SER A 58 1.194 -10.761 -2.908 1.00 0.54 C ATOM 830 O SER A 58 0.604 -9.916 -3.578 1.00 0.97 O ATOM 831 CB SER A 58 -0.542 -12.014 -1.595 1.00 0.75 C ATOM 832 OG SER A 58 -1.244 -12.078 -0.356 1.00 0.91 O ATOM 0 H SER A 58 -0.031 -9.172 -1.282 1.00 0.50 H new ATOM 0 HA SER A 58 1.476 -11.683 -0.986 1.00 0.56 H new ATOM 0 HB2 SER A 58 -1.207 -11.632 -2.369 1.00 0.75 H new ATOM 0 HB3 SER A 58 -0.246 -13.019 -1.896 1.00 0.75 H new ATOM 0 HG SER A 58 -2.030 -12.655 -0.455 1.00 0.91 H new ATOM 838 N GLY A 59 2.271 -11.420 -3.309 1.00 0.62 N ATOM 839 CA GLY A 59 2.852 -11.178 -4.618 1.00 0.57 C ATOM 840 C GLY A 59 1.989 -11.792 -5.723 1.00 0.71 C ATOM 841 O GLY A 59 1.188 -12.687 -5.464 1.00 0.89 O ATOM 0 H GLY A 59 2.756 -12.122 -2.750 1.00 0.62 H new ATOM 0 HA2 GLY A 59 2.951 -10.105 -4.783 1.00 0.57 H new ATOM 0 HA3 GLY A 59 3.856 -11.601 -4.658 1.00 0.57 H new ATOM 885 N LYS A 64 8.810 -10.066 -7.873 1.00 0.75 N ATOM 886 CA LYS A 64 9.111 -8.670 -8.137 1.00 0.67 C ATOM 887 C LYS A 64 7.804 -7.877 -8.220 1.00 0.60 C ATOM 888 O LYS A 64 7.821 -6.648 -8.258 1.00 0.71 O ATOM 889 CB LYS A 64 9.989 -8.538 -9.383 1.00 0.72 C ATOM 890 CG LYS A 64 9.171 -8.761 -10.657 1.00 0.84 C ATOM 891 CD LYS A 64 9.951 -8.313 -11.895 1.00 1.22 C ATOM 892 CE LYS A 64 9.069 -8.358 -13.145 1.00 1.69 C ATOM 893 NZ LYS A 64 9.394 -7.232 -14.049 1.00 2.55 N ATOM 0 HA LYS A 64 9.692 -8.245 -7.318 1.00 0.67 H new ATOM 0 HB2 LYS A 64 10.445 -7.548 -9.408 1.00 0.72 H new ATOM 0 HB3 LYS A 64 10.802 -9.262 -9.337 1.00 0.72 H new ATOM 0 HG2 LYS A 64 8.913 -9.816 -10.748 1.00 0.84 H new ATOM 0 HG3 LYS A 64 8.234 -8.208 -10.593 1.00 0.84 H new ATOM 0 HD2 LYS A 64 10.326 -7.300 -11.746 1.00 1.22 H new ATOM 0 HD3 LYS A 64 10.819 -8.957 -12.035 1.00 1.22 H new ATOM 0 HE2 LYS A 64 9.214 -9.304 -13.666 1.00 1.69 H new ATOM 0 HE3 LYS A 64 8.019 -8.310 -12.858 1.00 1.69 H new ATOM 0 HZ1 LYS A 64 8.787 -7.277 -14.892 1.00 2.55 H new ATOM 0 HZ2 LYS A 64 9.233 -6.332 -13.554 1.00 2.55 H new ATOM 0 HZ3 LYS A 64 10.391 -7.295 -14.337 1.00 2.55 H new ATOM 907 N THR A 65 6.703 -8.614 -8.245 1.00 0.55 N ATOM 908 CA THR A 65 5.391 -7.997 -8.322 1.00 0.55 C ATOM 909 C THR A 65 4.612 -8.237 -7.027 1.00 0.49 C ATOM 910 O THR A 65 4.413 -9.381 -6.621 1.00 0.53 O ATOM 911 CB THR A 65 4.685 -8.538 -9.566 1.00 0.67 C ATOM 912 OG1 THR A 65 5.205 -7.748 -10.632 1.00 0.76 O ATOM 913 CG2 THR A 65 3.186 -8.230 -9.569 1.00 0.72 C ATOM 0 H THR A 65 6.693 -9.633 -8.213 1.00 0.55 H new ATOM 0 HA THR A 65 5.469 -6.914 -8.421 1.00 0.55 H new ATOM 0 HB THR A 65 4.834 -9.616 -9.628 1.00 0.67 H new ATOM 0 HG1 THR A 65 5.229 -6.807 -10.360 1.00 0.76 H new ATOM 0 HG21 THR A 65 2.733 -8.636 -10.474 1.00 0.72 H new ATOM 0 HG22 THR A 65 2.720 -8.684 -8.695 1.00 0.72 H new ATOM 0 HG23 THR A 65 3.036 -7.151 -9.541 1.00 0.72 H new ATOM 921 N MET A 66 4.190 -7.141 -6.415 1.00 0.51 N ATOM 922 CA MET A 66 3.437 -7.218 -5.175 1.00 0.47 C ATOM 923 C MET A 66 1.962 -6.885 -5.408 1.00 0.39 C ATOM 924 O MET A 66 1.629 -6.120 -6.313 1.00 0.40 O ATOM 925 CB MET A 66 4.027 -6.240 -4.157 1.00 0.49 C ATOM 926 CG MET A 66 4.646 -6.988 -2.974 1.00 0.59 C ATOM 927 SD MET A 66 5.886 -8.132 -3.557 1.00 1.12 S ATOM 928 CE MET A 66 6.833 -7.050 -4.614 1.00 1.04 C ATOM 0 H MET A 66 4.355 -6.194 -6.755 1.00 0.51 H new ATOM 0 HA MET A 66 3.504 -8.237 -4.794 1.00 0.47 H new ATOM 0 HB2 MET A 66 4.785 -5.622 -4.638 1.00 0.49 H new ATOM 0 HB3 MET A 66 3.247 -5.567 -3.799 1.00 0.49 H new ATOM 0 HG2 MET A 66 5.093 -6.278 -2.278 1.00 0.59 H new ATOM 0 HG3 MET A 66 3.871 -7.526 -2.428 1.00 0.59 H new ATOM 0 HE1 MET A 66 7.895 -7.266 -4.498 1.00 1.04 H new ATOM 0 HE2 MET A 66 6.542 -7.209 -5.652 1.00 1.04 H new ATOM 0 HE3 MET A 66 6.641 -6.013 -4.338 1.00 1.04 H new ATOM 938 N VAL A 67 1.115 -7.474 -4.576 1.00 0.39 N ATOM 939 CA VAL A 67 -0.316 -7.250 -4.680 1.00 0.36 C ATOM 940 C VAL A 67 -0.930 -7.246 -3.278 1.00 0.38 C ATOM 941 O VAL A 67 -0.921 -8.266 -2.590 1.00 0.44 O ATOM 942 CB VAL A 67 -0.943 -8.293 -5.605 1.00 0.42 C ATOM 943 CG1 VAL A 67 -2.456 -8.087 -5.719 1.00 1.58 C ATOM 944 CG2 VAL A 67 -0.282 -8.273 -6.984 1.00 1.54 C ATOM 0 H VAL A 67 1.394 -8.107 -3.826 1.00 0.39 H new ATOM 0 HA VAL A 67 -0.519 -6.277 -5.126 1.00 0.36 H new ATOM 0 HB VAL A 67 -0.770 -9.276 -5.166 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -2.877 -8.842 -6.383 1.00 1.58 H new ATOM 0 HG12 VAL A 67 -2.911 -8.177 -4.732 1.00 1.58 H new ATOM 0 HG13 VAL A 67 -2.659 -7.095 -6.123 1.00 1.58 H new ATOM 0 HG21 VAL A 67 -0.747 -9.025 -7.622 1.00 1.54 H new ATOM 0 HG22 VAL A 67 -0.408 -7.288 -7.433 1.00 1.54 H new ATOM 0 HG23 VAL A 67 0.781 -8.492 -6.881 1.00 1.54 H new ATOM 954 N ILE A 68 -1.449 -6.088 -2.897 1.00 0.35 N ATOM 955 CA ILE A 68 -2.067 -5.939 -1.591 1.00 0.37 C ATOM 956 C ILE A 68 -3.536 -6.357 -1.675 1.00 0.39 C ATOM 957 O ILE A 68 -4.314 -5.760 -2.417 1.00 0.40 O ATOM 958 CB ILE A 68 -1.861 -4.517 -1.061 1.00 0.37 C ATOM 959 CG1 ILE A 68 -0.734 -4.476 -0.027 1.00 0.46 C ATOM 960 CG2 ILE A 68 -3.168 -3.945 -0.508 1.00 0.45 C ATOM 961 CD1 ILE A 68 0.629 -4.343 -0.709 1.00 0.55 C ATOM 0 H ILE A 68 -1.454 -5.244 -3.470 1.00 0.35 H new ATOM 0 HA ILE A 68 -1.590 -6.598 -0.866 1.00 0.37 H new ATOM 0 HB ILE A 68 -1.558 -3.882 -1.893 1.00 0.37 H new ATOM 0 HG12 ILE A 68 -0.889 -3.637 0.652 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -0.756 -5.383 0.577 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -2.995 -2.934 -0.138 1.00 0.45 H new ATOM 0 HG22 ILE A 68 -3.917 -3.918 -1.299 1.00 0.45 H new ATOM 0 HG23 ILE A 68 -3.524 -4.574 0.308 1.00 0.45 H new ATOM 0 HD11 ILE A 68 1.413 -4.316 0.047 1.00 0.55 H new ATOM 0 HD12 ILE A 68 0.790 -5.195 -1.369 1.00 0.55 H new ATOM 0 HD13 ILE A 68 0.656 -3.423 -1.292 1.00 0.55 H new ATOM 973 N THR A 69 -3.870 -7.382 -0.904 1.00 0.46 N ATOM 974 CA THR A 69 -5.232 -7.887 -0.882 1.00 0.55 C ATOM 975 C THR A 69 -5.825 -7.763 0.524 1.00 0.48 C ATOM 976 O THR A 69 -5.401 -8.462 1.444 1.00 0.59 O ATOM 977 CB THR A 69 -5.212 -9.324 -1.408 1.00 0.73 C ATOM 978 OG1 THR A 69 -5.817 -9.232 -2.695 1.00 0.87 O ATOM 979 CG2 THR A 69 -6.145 -10.248 -0.623 1.00 0.77 C ATOM 0 H THR A 69 -3.221 -7.876 -0.291 1.00 0.46 H new ATOM 0 HA THR A 69 -5.882 -7.298 -1.528 1.00 0.55 H new ATOM 0 HB THR A 69 -4.194 -9.712 -1.363 1.00 0.73 H new ATOM 0 HG1 THR A 69 -5.843 -10.120 -3.108 1.00 0.87 H new ATOM 0 HG21 THR A 69 -6.093 -11.255 -1.037 1.00 0.77 H new ATOM 0 HG22 THR A 69 -5.840 -10.270 0.423 1.00 0.77 H new ATOM 0 HG23 THR A 69 -7.168 -9.879 -0.695 1.00 0.77 H new ATOM 987 N PRO A 70 -6.821 -6.845 0.648 1.00 0.46 N ATOM 988 CA PRO A 70 -7.476 -6.621 1.926 1.00 0.45 C ATOM 989 C PRO A 70 -8.439 -7.763 2.257 1.00 0.52 C ATOM 990 O PRO A 70 -9.206 -8.201 1.400 1.00 0.70 O ATOM 991 CB PRO A 70 -8.173 -5.278 1.779 1.00 0.64 C ATOM 992 CG PRO A 70 -8.272 -5.021 0.284 1.00 0.79 C ATOM 993 CD PRO A 70 -7.348 -6.001 -0.419 1.00 0.65 C ATOM 0 HA PRO A 70 -6.776 -6.602 2.761 1.00 0.45 H new ATOM 0 HB2 PRO A 70 -9.161 -5.299 2.238 1.00 0.64 H new ATOM 0 HB3 PRO A 70 -7.608 -4.488 2.274 1.00 0.64 H new ATOM 0 HG2 PRO A 70 -9.299 -5.151 -0.059 1.00 0.79 H new ATOM 0 HG3 PRO A 70 -7.987 -3.995 0.053 1.00 0.79 H new ATOM 0 HD2 PRO A 70 -7.887 -6.591 -1.161 1.00 0.65 H new ATOM 0 HD3 PRO A 70 -6.547 -5.482 -0.945 1.00 0.65 H new ATOM 1001 N ALA A 71 -8.368 -8.213 3.500 1.00 0.53 N ATOM 1002 CA ALA A 71 -9.224 -9.295 3.955 1.00 0.68 C ATOM 1003 C ALA A 71 -10.660 -8.784 4.084 1.00 0.70 C ATOM 1004 O ALA A 71 -11.610 -9.558 3.982 1.00 0.92 O ATOM 1005 CB ALA A 71 -8.684 -9.854 5.274 1.00 0.80 C ATOM 0 H ALA A 71 -7.730 -7.848 4.207 1.00 0.53 H new ATOM 0 HA ALA A 71 -9.228 -10.111 3.232 1.00 0.68 H new ATOM 0 HB1 ALA A 71 -9.326 -10.666 5.615 1.00 0.80 H new ATOM 0 HB2 ALA A 71 -7.673 -10.231 5.122 1.00 0.80 H new ATOM 0 HB3 ALA A 71 -8.668 -9.064 6.025 1.00 0.80 H new ATOM 1011 N SER A 72 -10.774 -7.482 4.304 1.00 0.60 N ATOM 1012 CA SER A 72 -12.078 -6.859 4.447 1.00 0.70 C ATOM 1013 C SER A 72 -12.302 -5.847 3.321 1.00 0.62 C ATOM 1014 O SER A 72 -11.344 -5.348 2.731 1.00 0.56 O ATOM 1015 CB SER A 72 -12.216 -6.175 5.809 1.00 0.79 C ATOM 1016 OG SER A 72 -13.165 -6.834 6.644 1.00 1.17 O ATOM 0 H SER A 72 -9.984 -6.842 4.387 1.00 0.60 H new ATOM 0 HA SER A 72 -12.837 -7.639 4.383 1.00 0.70 H new ATOM 0 HB2 SER A 72 -11.246 -6.158 6.306 1.00 0.79 H new ATOM 0 HB3 SER A 72 -12.519 -5.138 5.665 1.00 0.79 H new ATOM 0 HG SER A 72 -13.223 -6.368 7.504 1.00 1.17 H new ATOM 1022 N PRO A 73 -13.604 -5.568 3.049 1.00 0.64 N ATOM 1023 CA PRO A 73 -13.965 -4.625 2.004 1.00 0.60 C ATOM 1024 C PRO A 73 -13.713 -3.184 2.455 1.00 0.55 C ATOM 1025 O PRO A 73 -14.133 -2.788 3.541 1.00 0.60 O ATOM 1026 CB PRO A 73 -15.428 -4.908 1.706 1.00 0.69 C ATOM 1027 CG PRO A 73 -15.958 -5.673 2.909 1.00 0.77 C ATOM 1028 CD PRO A 73 -14.764 -6.139 3.726 1.00 0.74 C ATOM 0 HA PRO A 73 -13.360 -4.742 1.105 1.00 0.60 H new ATOM 0 HB2 PRO A 73 -15.983 -3.982 1.557 1.00 0.69 H new ATOM 0 HB3 PRO A 73 -15.534 -5.494 0.793 1.00 0.69 H new ATOM 0 HG2 PRO A 73 -16.607 -5.037 3.510 1.00 0.77 H new ATOM 0 HG3 PRO A 73 -16.556 -6.525 2.587 1.00 0.77 H new ATOM 0 HD2 PRO A 73 -14.831 -5.792 4.757 1.00 0.74 H new ATOM 0 HD3 PRO A 73 -14.707 -7.227 3.759 1.00 0.74 H new ATOM 1036 N LEU A 74 -13.031 -2.440 1.597 1.00 0.50 N ATOM 1037 CA LEU A 74 -12.719 -1.052 1.894 1.00 0.50 C ATOM 1038 C LEU A 74 -13.970 -0.197 1.684 1.00 0.50 C ATOM 1039 O LEU A 74 -14.473 -0.091 0.567 1.00 0.54 O ATOM 1040 CB LEU A 74 -11.512 -0.588 1.075 1.00 0.54 C ATOM 1041 CG LEU A 74 -10.228 -1.401 1.253 1.00 0.56 C ATOM 1042 CD1 LEU A 74 -9.236 -1.112 0.125 1.00 0.63 C ATOM 1043 CD2 LEU A 74 -9.613 -1.159 2.634 1.00 0.58 C ATOM 0 H LEU A 74 -12.686 -2.772 0.696 1.00 0.50 H new ATOM 0 HA LEU A 74 -12.428 -0.941 2.939 1.00 0.50 H new ATOM 0 HB2 LEU A 74 -11.786 -0.605 0.020 1.00 0.54 H new ATOM 0 HB3 LEU A 74 -11.300 0.450 1.333 1.00 0.54 H new ATOM 0 HG LEU A 74 -10.482 -2.459 1.195 1.00 0.56 H new ATOM 0 HD11 LEU A 74 -8.332 -1.702 0.275 1.00 0.63 H new ATOM 0 HD12 LEU A 74 -9.686 -1.375 -0.832 1.00 0.63 H new ATOM 0 HD13 LEU A 74 -8.982 -0.052 0.127 1.00 0.63 H new ATOM 0 HD21 LEU A 74 -8.702 -1.748 2.735 1.00 0.58 H new ATOM 0 HD22 LEU A 74 -9.375 -0.101 2.746 1.00 0.58 H new ATOM 0 HD23 LEU A 74 -10.324 -1.455 3.406 1.00 0.58 H new ATOM 1055 N THR A 75 -14.436 0.390 2.776 1.00 0.52 N ATOM 1056 CA THR A 75 -15.619 1.233 2.726 1.00 0.55 C ATOM 1057 C THR A 75 -15.239 2.661 2.328 1.00 0.55 C ATOM 1058 O THR A 75 -14.059 3.000 2.267 1.00 0.57 O ATOM 1059 CB THR A 75 -16.319 1.146 4.083 1.00 0.61 C ATOM 1060 OG1 THR A 75 -15.319 1.543 5.016 1.00 0.73 O ATOM 1061 CG2 THR A 75 -16.648 -0.295 4.481 1.00 0.59 C ATOM 0 H THR A 75 -14.016 0.299 3.701 1.00 0.52 H new ATOM 0 HA THR A 75 -16.317 0.891 1.962 1.00 0.55 H new ATOM 0 HB THR A 75 -17.236 1.734 4.056 1.00 0.61 H new ATOM 0 HG1 THR A 75 -14.492 1.760 4.537 1.00 0.73 H new ATOM 0 HG21 THR A 75 -17.144 -0.300 5.452 1.00 0.59 H new ATOM 0 HG22 THR A 75 -17.308 -0.737 3.734 1.00 0.59 H new ATOM 0 HG23 THR A 75 -15.727 -0.875 4.541 1.00 0.59 H new ATOM 1069 N ALA A 76 -16.264 3.461 2.069 1.00 0.55 N ATOM 1070 CA ALA A 76 -16.053 4.844 1.680 1.00 0.57 C ATOM 1071 C ALA A 76 -15.145 5.526 2.705 1.00 0.55 C ATOM 1072 O ALA A 76 -14.733 4.906 3.684 1.00 0.76 O ATOM 1073 CB ALA A 76 -17.404 5.548 1.541 1.00 0.62 C ATOM 0 H ALA A 76 -17.242 3.177 2.121 1.00 0.55 H new ATOM 0 HA ALA A 76 -15.556 4.897 0.711 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -17.245 6.586 1.249 1.00 0.62 H new ATOM 0 HB2 ALA A 76 -18.000 5.044 0.780 1.00 0.62 H new ATOM 0 HB3 ALA A 76 -17.931 5.516 2.495 1.00 0.62 H new ATOM 1079 N GLY A 77 -14.858 6.792 2.445 1.00 0.49 N ATOM 1080 CA GLY A 77 -14.005 7.564 3.332 1.00 0.52 C ATOM 1081 C GLY A 77 -12.627 7.794 2.708 1.00 0.50 C ATOM 1082 O GLY A 77 -12.506 7.913 1.489 1.00 0.50 O ATOM 0 H GLY A 77 -15.201 7.303 1.632 1.00 0.49 H new ATOM 0 HA2 GLY A 77 -14.474 8.524 3.549 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -13.895 7.041 4.282 1.00 0.52 H new ATOM 1086 N THR A 78 -11.624 7.848 3.571 1.00 0.53 N ATOM 1087 CA THR A 78 -10.258 8.061 3.119 1.00 0.54 C ATOM 1088 C THR A 78 -9.311 7.068 3.797 1.00 0.52 C ATOM 1089 O THR A 78 -9.457 6.777 4.984 1.00 0.60 O ATOM 1090 CB THR A 78 -9.895 9.523 3.383 1.00 0.65 C ATOM 1091 OG1 THR A 78 -10.811 10.259 2.576 1.00 0.84 O ATOM 1092 CG2 THR A 78 -8.522 9.895 2.822 1.00 0.67 C ATOM 0 H THR A 78 -11.729 7.748 4.581 1.00 0.53 H new ATOM 0 HA THR A 78 -10.162 7.875 2.049 1.00 0.54 H new ATOM 0 HB THR A 78 -9.912 9.714 4.456 1.00 0.65 H new ATOM 0 HG1 THR A 78 -10.558 11.206 2.574 1.00 0.84 H new ATOM 0 HG21 THR A 78 -8.313 10.943 3.036 1.00 0.67 H new ATOM 0 HG22 THR A 78 -7.758 9.271 3.286 1.00 0.67 H new ATOM 0 HG23 THR A 78 -8.515 9.737 1.744 1.00 0.67 H new ATOM 1100 N TYR A 79 -8.364 6.574 3.014 1.00 0.46 N ATOM 1101 CA TYR A 79 -7.393 5.620 3.524 1.00 0.47 C ATOM 1102 C TYR A 79 -5.997 5.908 2.967 1.00 0.48 C ATOM 1103 O TYR A 79 -5.858 6.590 1.953 1.00 0.48 O ATOM 1104 CB TYR A 79 -7.854 4.246 3.031 1.00 0.43 C ATOM 1105 CG TYR A 79 -9.262 3.861 3.488 1.00 0.45 C ATOM 1106 CD1 TYR A 79 -10.356 4.554 3.012 1.00 1.72 C ATOM 1107 CD2 TYR A 79 -9.438 2.821 4.377 1.00 1.96 C ATOM 1108 CE1 TYR A 79 -11.681 4.191 3.442 1.00 1.70 C ATOM 1109 CE2 TYR A 79 -10.764 2.458 4.807 1.00 2.03 C ATOM 1110 CZ TYR A 79 -11.820 3.162 4.319 1.00 0.59 C ATOM 1111 OH TYR A 79 -13.072 2.819 4.725 1.00 0.69 O ATOM 0 H TYR A 79 -8.248 6.816 2.030 1.00 0.46 H new ATOM 0 HA TYR A 79 -7.333 5.676 4.611 1.00 0.47 H new ATOM 0 HB2 TYR A 79 -7.820 4.232 1.942 1.00 0.43 H new ATOM 0 HB3 TYR A 79 -7.150 3.491 3.381 1.00 0.43 H new ATOM 0 HD1 TYR A 79 -10.218 5.369 2.317 1.00 1.72 H new ATOM 0 HD2 TYR A 79 -8.582 2.279 4.751 1.00 1.96 H new ATOM 0 HE1 TYR A 79 -12.546 4.725 3.076 1.00 1.70 H new ATOM 0 HE2 TYR A 79 -10.916 1.645 5.501 1.00 2.03 H new ATOM 0 HH TYR A 79 -13.731 3.375 4.259 1.00 0.69 H new ATOM 1121 N LYS A 80 -5.000 5.372 3.654 1.00 0.54 N ATOM 1122 CA LYS A 80 -3.619 5.562 3.241 1.00 0.59 C ATOM 1123 C LYS A 80 -2.868 4.234 3.360 1.00 0.57 C ATOM 1124 O LYS A 80 -2.707 3.705 4.458 1.00 0.61 O ATOM 1125 CB LYS A 80 -2.976 6.705 4.030 1.00 0.71 C ATOM 1126 CG LYS A 80 -1.523 6.917 3.600 1.00 1.14 C ATOM 1127 CD LYS A 80 -0.558 6.524 4.720 1.00 2.13 C ATOM 1128 CE LYS A 80 0.176 7.751 5.267 1.00 2.34 C ATOM 1129 NZ LYS A 80 -0.391 8.154 6.573 1.00 2.92 N ATOM 0 H LYS A 80 -5.120 4.806 4.494 1.00 0.54 H new ATOM 0 HA LYS A 80 -3.573 5.862 2.194 1.00 0.59 H new ATOM 0 HB2 LYS A 80 -3.543 7.623 3.875 1.00 0.71 H new ATOM 0 HB3 LYS A 80 -3.015 6.483 5.096 1.00 0.71 H new ATOM 0 HG2 LYS A 80 -1.313 6.324 2.710 1.00 1.14 H new ATOM 0 HG3 LYS A 80 -1.368 7.962 3.331 1.00 1.14 H new ATOM 0 HD2 LYS A 80 -1.108 6.036 5.525 1.00 2.13 H new ATOM 0 HD3 LYS A 80 0.165 5.800 4.344 1.00 2.13 H new ATOM 0 HE2 LYS A 80 1.237 7.528 5.378 1.00 2.34 H new ATOM 0 HE3 LYS A 80 0.096 8.576 4.559 1.00 2.34 H new ATOM 0 HZ1 LYS A 80 0.118 8.988 6.930 1.00 2.92 H new ATOM 0 HZ2 LYS A 80 -1.398 8.387 6.457 1.00 2.92 H new ATOM 0 HZ3 LYS A 80 -0.292 7.371 7.251 1.00 2.92 H new ATOM 1143 N VAL A 81 -2.431 3.734 2.214 1.00 0.53 N ATOM 1144 CA VAL A 81 -1.701 2.479 2.175 1.00 0.52 C ATOM 1145 C VAL A 81 -0.199 2.766 2.197 1.00 0.50 C ATOM 1146 O VAL A 81 0.368 3.210 1.200 1.00 0.57 O ATOM 1147 CB VAL A 81 -2.134 1.659 0.957 1.00 0.53 C ATOM 1148 CG1 VAL A 81 -1.451 0.290 0.947 1.00 0.64 C ATOM 1149 CG2 VAL A 81 -3.657 1.513 0.909 1.00 0.58 C ATOM 0 H VAL A 81 -2.569 4.176 1.305 1.00 0.53 H new ATOM 0 HA VAL A 81 -1.930 1.877 3.055 1.00 0.52 H new ATOM 0 HB VAL A 81 -1.820 2.196 0.062 1.00 0.53 H new ATOM 0 HG11 VAL A 81 -1.776 -0.272 0.072 1.00 0.64 H new ATOM 0 HG12 VAL A 81 -0.370 0.423 0.912 1.00 0.64 H new ATOM 0 HG13 VAL A 81 -1.720 -0.257 1.850 1.00 0.64 H new ATOM 0 HG21 VAL A 81 -3.939 0.927 0.035 1.00 0.58 H new ATOM 0 HG22 VAL A 81 -4.003 1.008 1.811 1.00 0.58 H new ATOM 0 HG23 VAL A 81 -4.115 2.500 0.847 1.00 0.58 H new ATOM 1159 N ASP A 82 0.405 2.500 3.347 1.00 0.51 N ATOM 1160 CA ASP A 82 1.830 2.725 3.514 1.00 0.49 C ATOM 1161 C ASP A 82 2.589 1.447 3.151 1.00 0.47 C ATOM 1162 O ASP A 82 2.339 0.388 3.723 1.00 0.50 O ATOM 1163 CB ASP A 82 2.168 3.079 4.963 1.00 0.55 C ATOM 1164 CG ASP A 82 1.206 4.066 5.628 1.00 0.74 C ATOM 1165 OD1 ASP A 82 -0.026 3.684 5.668 1.00 1.89 O ATOM 1166 OD2 ASP A 82 1.612 5.145 6.085 1.00 1.86 O ATOM 0 H ASP A 82 -0.068 2.131 4.172 1.00 0.51 H new ATOM 0 HA ASP A 82 2.118 3.552 2.865 1.00 0.49 H new ATOM 0 HB2 ASP A 82 2.187 2.161 5.551 1.00 0.55 H new ATOM 0 HB3 ASP A 82 3.174 3.498 4.994 1.00 0.55 H new ATOM 1171 N TRP A 83 3.502 1.589 2.200 1.00 0.48 N ATOM 1172 CA TRP A 83 4.299 0.459 1.754 1.00 0.48 C ATOM 1173 C TRP A 83 5.772 0.793 1.998 1.00 0.48 C ATOM 1174 O TRP A 83 6.139 1.963 2.099 1.00 0.48 O ATOM 1175 CB TRP A 83 3.998 0.118 0.293 1.00 0.48 C ATOM 1176 CG TRP A 83 4.116 1.309 -0.660 1.00 0.46 C ATOM 1177 CD1 TRP A 83 3.130 1.974 -1.276 1.00 0.46 C ATOM 1178 CD2 TRP A 83 5.337 1.952 -1.086 1.00 0.50 C ATOM 1179 NE1 TRP A 83 3.623 2.995 -2.064 1.00 0.48 N ATOM 1180 CE2 TRP A 83 5.008 2.981 -1.943 1.00 0.50 C ATOM 1181 CE3 TRP A 83 6.675 1.673 -0.755 1.00 0.58 C ATOM 1182 CZ2 TRP A 83 5.959 3.814 -2.543 1.00 0.57 C ATOM 1183 CZ3 TRP A 83 7.615 2.515 -1.363 1.00 0.65 C ATOM 1184 CH2 TRP A 83 7.299 3.555 -2.229 1.00 0.64 C ATOM 0 H TRP A 83 3.707 2.469 1.727 1.00 0.48 H new ATOM 0 HA TRP A 83 4.047 -0.438 2.320 1.00 0.48 H new ATOM 0 HB2 TRP A 83 4.681 -0.666 -0.035 1.00 0.48 H new ATOM 0 HB3 TRP A 83 2.989 -0.290 0.226 1.00 0.48 H new ATOM 0 HD1 TRP A 83 2.081 1.741 -1.170 1.00 0.46 H new ATOM 0 HE1 TRP A 83 3.073 3.640 -2.630 1.00 0.48 H new ATOM 0 HE3 TRP A 83 6.955 0.873 -0.085 1.00 0.58 H new ATOM 0 HZ2 TRP A 83 5.675 4.613 -3.212 1.00 0.57 H new ATOM 0 HZ3 TRP A 83 8.659 2.344 -1.143 1.00 0.65 H new ATOM 0 HH2 TRP A 83 8.083 4.161 -2.658 1.00 0.64 H new ATOM 1195 N ARG A 84 6.577 -0.256 2.087 1.00 0.54 N ATOM 1196 CA ARG A 84 8.002 -0.088 2.318 1.00 0.59 C ATOM 1197 C ARG A 84 8.786 -1.211 1.636 1.00 0.62 C ATOM 1198 O ARG A 84 8.563 -2.387 1.915 1.00 0.72 O ATOM 1199 CB ARG A 84 8.321 -0.089 3.814 1.00 0.69 C ATOM 1200 CG ARG A 84 8.359 1.337 4.368 1.00 0.85 C ATOM 1201 CD ARG A 84 8.196 1.339 5.889 1.00 1.39 C ATOM 1202 NE ARG A 84 9.479 0.983 6.535 1.00 2.60 N ATOM 1203 CZ ARG A 84 9.815 1.332 7.796 1.00 3.35 C ATOM 1204 NH1 ARG A 84 8.961 2.049 8.558 1.00 3.46 N ATOM 1205 NH2 ARG A 84 10.988 0.960 8.272 1.00 4.91 N ATOM 0 H ARG A 84 6.270 -1.225 2.003 1.00 0.54 H new ATOM 0 HA ARG A 84 8.295 0.873 1.896 1.00 0.59 H new ATOM 0 HB2 ARG A 84 7.570 -0.671 4.349 1.00 0.69 H new ATOM 0 HB3 ARG A 84 9.282 -0.575 3.984 1.00 0.69 H new ATOM 0 HG2 ARG A 84 9.303 1.810 4.099 1.00 0.85 H new ATOM 0 HG3 ARG A 84 7.565 1.929 3.913 1.00 0.85 H new ATOM 0 HD2 ARG A 84 7.870 2.323 6.227 1.00 1.39 H new ATOM 0 HD3 ARG A 84 7.423 0.629 6.181 1.00 1.39 H new ATOM 0 HE ARG A 84 10.152 0.440 5.994 1.00 2.60 H new ATOM 0 HH11 ARG A 84 8.056 2.331 8.182 1.00 3.46 H new ATOM 0 HH12 ARG A 84 9.221 2.309 9.509 1.00 3.46 H new ATOM 0 HH21 ARG A 84 11.626 0.417 7.690 1.00 4.91 H new ATOM 0 HH22 ARG A 84 11.257 1.215 9.222 1.00 4.91 H new ATOM 1324 N ILE A 93 13.278 1.989 1.781 1.00 0.69 N ATOM 1325 CA ILE A 93 12.475 2.720 0.816 1.00 0.62 C ATOM 1326 C ILE A 93 11.025 2.771 1.299 1.00 0.57 C ATOM 1327 O ILE A 93 10.265 1.824 1.098 1.00 0.79 O ATOM 1328 CB ILE A 93 12.637 2.116 -0.581 1.00 0.79 C ATOM 1329 CG1 ILE A 93 14.097 2.164 -1.034 1.00 1.39 C ATOM 1330 CG2 ILE A 93 11.702 2.795 -1.583 1.00 1.34 C ATOM 1331 CD1 ILE A 93 14.455 3.547 -1.584 1.00 2.53 C ATOM 0 HA ILE A 93 12.820 3.751 0.736 1.00 0.62 H new ATOM 0 HB ILE A 93 12.350 1.065 -0.534 1.00 0.79 H new ATOM 0 HG12 ILE A 93 14.750 1.922 -0.195 1.00 1.39 H new ATOM 0 HG13 ILE A 93 14.269 1.408 -1.800 1.00 1.39 H new ATOM 0 HG21 ILE A 93 11.837 2.347 -2.568 1.00 1.34 H new ATOM 0 HG22 ILE A 93 10.668 2.663 -1.263 1.00 1.34 H new ATOM 0 HG23 ILE A 93 11.933 3.859 -1.633 1.00 1.34 H new ATOM 0 HD11 ILE A 93 15.498 3.554 -1.899 1.00 2.53 H new ATOM 0 HD12 ILE A 93 13.817 3.776 -2.437 1.00 2.53 H new ATOM 0 HD13 ILE A 93 14.305 4.297 -0.808 1.00 2.53 H new ATOM 1343 N THR A 94 10.684 3.887 1.928 1.00 0.57 N ATOM 1344 CA THR A 94 9.338 4.074 2.443 1.00 0.58 C ATOM 1345 C THR A 94 8.460 4.770 1.401 1.00 0.51 C ATOM 1346 O THR A 94 8.965 5.498 0.547 1.00 0.56 O ATOM 1347 CB THR A 94 9.439 4.841 3.763 1.00 0.70 C ATOM 1348 OG1 THR A 94 9.978 6.106 3.390 1.00 0.72 O ATOM 1349 CG2 THR A 94 10.491 4.250 4.704 1.00 0.89 C ATOM 0 H THR A 94 11.316 4.670 2.092 1.00 0.57 H new ATOM 0 HA THR A 94 8.855 3.118 2.643 1.00 0.58 H new ATOM 0 HB THR A 94 8.468 4.841 4.258 1.00 0.70 H new ATOM 0 HG1 THR A 94 10.075 6.668 4.187 1.00 0.72 H new ATOM 0 HG21 THR A 94 10.522 4.831 5.626 1.00 0.89 H new ATOM 0 HG22 THR A 94 10.233 3.217 4.935 1.00 0.89 H new ATOM 0 HG23 THR A 94 11.468 4.281 4.222 1.00 0.89 H new ATOM 1357 N GLY A 95 7.164 4.523 1.506 1.00 0.55 N ATOM 1358 CA GLY A 95 6.212 5.117 0.583 1.00 0.50 C ATOM 1359 C GLY A 95 4.773 4.796 0.996 1.00 0.44 C ATOM 1360 O GLY A 95 4.528 3.808 1.684 1.00 0.49 O ATOM 0 H GLY A 95 6.750 3.919 2.216 1.00 0.55 H new ATOM 0 HA2 GLY A 95 6.353 6.197 0.555 1.00 0.50 H new ATOM 0 HA3 GLY A 95 6.396 4.745 -0.425 1.00 0.50 H new ATOM 1364 N SER A 96 3.861 5.652 0.558 1.00 0.47 N ATOM 1365 CA SER A 96 2.454 5.471 0.874 1.00 0.51 C ATOM 1366 C SER A 96 1.592 5.902 -0.315 1.00 0.47 C ATOM 1367 O SER A 96 2.040 6.668 -1.167 1.00 0.51 O ATOM 1368 CB SER A 96 2.065 6.261 2.125 1.00 0.71 C ATOM 1369 OG SER A 96 3.176 6.469 2.993 1.00 1.00 O ATOM 0 H SER A 96 4.069 6.472 -0.012 1.00 0.47 H new ATOM 0 HA SER A 96 2.281 4.414 1.076 1.00 0.51 H new ATOM 0 HB2 SER A 96 1.650 7.225 1.830 1.00 0.71 H new ATOM 0 HB3 SER A 96 1.281 5.727 2.662 1.00 0.71 H new ATOM 0 HG SER A 96 2.886 6.978 3.779 1.00 1.00 H new ATOM 1375 N VAL A 97 0.370 5.390 -0.334 1.00 0.44 N ATOM 1376 CA VAL A 97 -0.559 5.713 -1.404 1.00 0.41 C ATOM 1377 C VAL A 97 -1.934 6.017 -0.805 1.00 0.42 C ATOM 1378 O VAL A 97 -2.675 5.103 -0.449 1.00 0.39 O ATOM 1379 CB VAL A 97 -0.592 4.576 -2.428 1.00 0.37 C ATOM 1380 CG1 VAL A 97 -1.673 4.820 -3.483 1.00 0.64 C ATOM 1381 CG2 VAL A 97 0.780 4.388 -3.080 1.00 0.41 C ATOM 0 H VAL A 97 0.002 4.754 0.374 1.00 0.44 H new ATOM 0 HA VAL A 97 -0.232 6.605 -1.938 1.00 0.41 H new ATOM 0 HB VAL A 97 -0.842 3.655 -1.901 1.00 0.37 H new ATOM 0 HG11 VAL A 97 -1.675 3.998 -4.198 1.00 0.64 H new ATOM 0 HG12 VAL A 97 -2.647 4.882 -2.998 1.00 0.64 H new ATOM 0 HG13 VAL A 97 -1.468 5.755 -4.005 1.00 0.64 H new ATOM 0 HG21 VAL A 97 0.731 3.574 -3.804 1.00 0.41 H new ATOM 0 HG22 VAL A 97 1.071 5.308 -3.587 1.00 0.41 H new ATOM 0 HG23 VAL A 97 1.517 4.148 -2.314 1.00 0.41 H new ATOM 1391 N THR A 98 -2.231 7.305 -0.714 1.00 0.50 N ATOM 1392 CA THR A 98 -3.504 7.742 -0.164 1.00 0.52 C ATOM 1393 C THR A 98 -4.571 7.785 -1.260 1.00 0.47 C ATOM 1394 O THR A 98 -4.281 8.144 -2.400 1.00 0.49 O ATOM 1395 CB THR A 98 -3.285 9.090 0.524 1.00 0.66 C ATOM 1396 OG1 THR A 98 -4.404 9.221 1.396 1.00 0.77 O ATOM 1397 CG2 THR A 98 -3.423 10.269 -0.441 1.00 0.73 C ATOM 0 H THR A 98 -1.613 8.060 -1.011 1.00 0.50 H new ATOM 0 HA THR A 98 -3.875 7.038 0.581 1.00 0.52 H new ATOM 0 HB THR A 98 -2.295 9.108 0.979 1.00 0.66 H new ATOM 0 HG1 THR A 98 -4.772 8.334 1.592 1.00 0.77 H new ATOM 0 HG21 THR A 98 -3.258 11.202 0.098 1.00 0.73 H new ATOM 0 HG22 THR A 98 -2.685 10.175 -1.238 1.00 0.73 H new ATOM 0 HG23 THR A 98 -4.424 10.271 -0.872 1.00 0.73 H new ATOM 1405 N PHE A 99 -5.784 7.414 -0.876 1.00 0.43 N ATOM 1406 CA PHE A 99 -6.895 7.406 -1.812 1.00 0.43 C ATOM 1407 C PHE A 99 -8.226 7.607 -1.084 1.00 0.42 C ATOM 1408 O PHE A 99 -8.326 7.353 0.115 1.00 0.44 O ATOM 1409 CB PHE A 99 -6.900 6.035 -2.491 1.00 0.37 C ATOM 1410 CG PHE A 99 -7.313 4.887 -1.568 1.00 0.31 C ATOM 1411 CD1 PHE A 99 -8.605 4.777 -1.155 1.00 1.73 C ATOM 1412 CD2 PHE A 99 -6.390 3.975 -1.161 1.00 1.65 C ATOM 1413 CE1 PHE A 99 -8.989 3.712 -0.299 1.00 1.72 C ATOM 1414 CE2 PHE A 99 -6.775 2.909 -0.306 1.00 1.66 C ATOM 1415 CZ PHE A 99 -8.065 2.799 0.107 1.00 0.32 C ATOM 0 H PHE A 99 -6.021 7.117 0.070 1.00 0.43 H new ATOM 0 HA PHE A 99 -6.780 8.215 -2.533 1.00 0.43 H new ATOM 0 HB2 PHE A 99 -7.579 6.065 -3.343 1.00 0.37 H new ATOM 0 HB3 PHE A 99 -5.904 5.832 -2.884 1.00 0.37 H new ATOM 0 HD1 PHE A 99 -9.339 5.501 -1.479 1.00 1.73 H new ATOM 0 HD2 PHE A 99 -5.364 4.062 -1.488 1.00 1.65 H new ATOM 0 HE1 PHE A 99 -10.014 3.626 0.030 1.00 1.72 H new ATOM 0 HE2 PHE A 99 -6.042 2.185 0.017 1.00 1.66 H new ATOM 0 HZ PHE A 99 -8.357 1.987 0.757 1.00 0.32 H new ATOM 1425 N LYS A 100 -9.215 8.060 -1.840 1.00 0.43 N ATOM 1426 CA LYS A 100 -10.536 8.297 -1.282 1.00 0.44 C ATOM 1427 C LYS A 100 -11.509 7.248 -1.822 1.00 0.40 C ATOM 1428 O LYS A 100 -11.209 6.563 -2.799 1.00 0.42 O ATOM 1429 CB LYS A 100 -10.977 9.738 -1.544 1.00 0.54 C ATOM 1430 CG LYS A 100 -10.225 10.716 -0.640 1.00 0.68 C ATOM 1431 CD LYS A 100 -10.883 12.097 -0.657 1.00 1.26 C ATOM 1432 CE LYS A 100 -12.075 12.149 0.300 1.00 2.51 C ATOM 1433 NZ LYS A 100 -13.338 11.906 -0.432 1.00 3.76 N ATOM 0 H LYS A 100 -9.128 8.269 -2.835 1.00 0.43 H new ATOM 0 HA LYS A 100 -10.517 8.186 -0.198 1.00 0.44 H new ATOM 0 HB2 LYS A 100 -10.798 9.992 -2.589 1.00 0.54 H new ATOM 0 HB3 LYS A 100 -12.049 9.830 -1.373 1.00 0.54 H new ATOM 0 HG2 LYS A 100 -10.205 10.332 0.380 1.00 0.68 H new ATOM 0 HG3 LYS A 100 -9.189 10.799 -0.970 1.00 0.68 H new ATOM 0 HD2 LYS A 100 -10.152 12.855 -0.375 1.00 1.26 H new ATOM 0 HD3 LYS A 100 -11.214 12.334 -1.668 1.00 1.26 H new ATOM 0 HE2 LYS A 100 -11.952 11.402 1.084 1.00 2.51 H new ATOM 0 HE3 LYS A 100 -12.113 13.122 0.790 1.00 2.51 H new ATOM 0 HZ1 LYS A 100 -14.021 12.657 -0.205 1.00 3.76 H new ATOM 0 HZ2 LYS A 100 -13.152 11.905 -1.455 1.00 3.76 H new ATOM 0 HZ3 LYS A 100 -13.731 10.985 -0.151 1.00 3.76 H new ATOM 1447 N VAL A 101 -12.655 7.155 -1.163 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.675 6.201 -1.566 1.00 0.41 C ATOM 1449 C VAL A 101 -15.057 6.829 -1.379 1.00 0.46 C ATOM 1450 O VAL A 101 -15.410 7.244 -0.276 1.00 0.48 O ATOM 1451 CB VAL A 101 -13.502 4.893 -0.790 1.00 0.39 C ATOM 1452 CG1 VAL A 101 -14.572 3.875 -1.187 1.00 0.50 C ATOM 1453 CG2 VAL A 101 -12.097 4.320 -0.988 1.00 0.40 C ATOM 0 H VAL A 101 -12.900 7.724 -0.353 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.571 5.953 -2.622 1.00 0.41 H new ATOM 0 HB VAL A 101 -13.627 5.113 0.270 1.00 0.39 H new ATOM 0 HG11 VAL A 101 -14.426 2.955 -0.621 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -15.560 4.282 -0.970 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -14.494 3.662 -2.253 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -12.000 3.391 -0.426 1.00 0.40 H new ATOM 0 HG22 VAL A 101 -11.930 4.123 -2.047 1.00 0.40 H new ATOM 0 HG23 VAL A 101 -11.358 5.038 -0.632 1.00 0.40 H new ATOM 1463 N LYS A 102 -15.802 6.879 -2.473 1.00 0.52 N ATOM 1464 CA LYS A 102 -17.138 7.449 -2.444 1.00 0.59 C ATOM 1465 C LYS A 102 -18.168 6.331 -2.618 1.00 0.69 C ATOM 1466 O LYS A 102 -18.812 5.920 -1.654 1.00 1.28 O ATOM 1467 CB LYS A 102 -17.265 8.569 -3.478 1.00 0.63 C ATOM 1468 CG LYS A 102 -16.232 9.670 -3.223 1.00 0.66 C ATOM 1469 CD LYS A 102 -16.903 10.939 -2.695 1.00 0.96 C ATOM 1470 CE LYS A 102 -16.700 12.109 -3.660 1.00 1.92 C ATOM 1471 NZ LYS A 102 -17.315 13.341 -3.117 1.00 2.59 N ATOM 1472 OXT LYS A 102 -18.430 5.573 -1.686 1.00 1.33 O ATOM 0 H LYS A 102 -15.506 6.534 -3.386 1.00 0.52 H new ATOM 0 HA LYS A 102 -17.333 7.915 -1.478 1.00 0.59 H new ATOM 0 HB2 LYS A 102 -17.128 8.162 -4.480 1.00 0.63 H new ATOM 0 HB3 LYS A 102 -18.269 8.992 -3.440 1.00 0.63 H new ATOM 0 HG2 LYS A 102 -15.492 9.320 -2.504 1.00 0.66 H new ATOM 0 HG3 LYS A 102 -15.698 9.894 -4.147 1.00 0.66 H new ATOM 0 HD2 LYS A 102 -17.969 10.760 -2.555 1.00 0.96 H new ATOM 0 HD3 LYS A 102 -16.491 11.193 -1.718 1.00 0.96 H new ATOM 0 HE2 LYS A 102 -15.635 12.270 -3.827 1.00 1.92 H new ATOM 0 HE3 LYS A 102 -17.142 11.871 -4.628 1.00 1.92 H new ATOM 0 HZ1 LYS A 102 -17.168 14.125 -3.784 1.00 2.59 H new ATOM 0 HZ2 LYS A 102 -18.335 13.189 -2.980 1.00 2.59 H new ATOM 0 HZ3 LYS A 102 -16.875 13.576 -2.204 1.00 2.59 H new