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 75 THR OG1 : rot 11:sc= 0.274 USER MOD Set 1.2: A 79 TYR OH : rot -11:sc= 0.858 USER MOD Single : A 6 SER OG : rot 180:sc= -0.73 USER MOD Single : A 7 SER OG : rot 180:sc= -0.106 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.139 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 24 HIS : no HD1:sc= 0.695 K(o=0.7,f=-2.5!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.296 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -74:sc= 1.13 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 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 166:sc= -2.96! (180deg=-3.57!) 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 180:sc= -0.462 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 -88:sc= 0.995 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+ 153:sc= -0.0101 (180deg=-0.723) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.680 2.550 -5.322 1.00 1.06 N ATOM 57 CA LEU A 4 9.482 1.376 -6.154 1.00 0.89 C ATOM 58 C LEU A 4 9.391 1.804 -7.621 1.00 0.73 C ATOM 59 O LEU A 4 9.206 2.984 -7.916 1.00 0.76 O ATOM 60 CB LEU A 4 8.271 0.575 -5.672 1.00 1.06 C ATOM 61 CG LEU A 4 6.920 0.974 -6.271 1.00 0.61 C ATOM 62 CD1 LEU A 4 6.831 2.489 -6.462 1.00 0.74 C ATOM 63 CD2 LEU A 4 6.653 0.216 -7.574 1.00 0.63 C ATOM 0 HA LEU A 4 10.335 0.703 -6.070 1.00 0.89 H new ATOM 0 HB2 LEU A 4 8.446 -0.478 -5.892 1.00 1.06 H new ATOM 0 HB3 LEU A 4 8.207 0.668 -4.588 1.00 1.06 H new ATOM 0 HG LEU A 4 6.137 0.691 -5.567 1.00 0.61 H new ATOM 0 HD11 LEU A 4 5.861 2.746 -6.889 1.00 0.74 H new ATOM 0 HD12 LEU A 4 6.946 2.985 -5.498 1.00 0.74 H new ATOM 0 HD13 LEU A 4 7.622 2.818 -7.135 1.00 0.74 H new ATOM 0 HD21 LEU A 4 5.687 0.518 -7.979 1.00 0.63 H new ATOM 0 HD22 LEU A 4 7.437 0.446 -8.296 1.00 0.63 H new ATOM 0 HD23 LEU A 4 6.645 -0.856 -7.376 1.00 0.63 H new ATOM 75 N VAL A 5 9.525 0.822 -8.500 1.00 0.68 N ATOM 76 CA VAL A 5 9.462 1.082 -9.928 1.00 0.57 C ATOM 77 C VAL A 5 8.081 1.641 -10.278 1.00 0.48 C ATOM 78 O VAL A 5 7.904 2.854 -10.374 1.00 0.58 O ATOM 79 CB VAL A 5 9.808 -0.188 -10.708 1.00 0.63 C ATOM 80 CG1 VAL A 5 9.346 -0.081 -12.162 1.00 0.77 C ATOM 81 CG2 VAL A 5 11.307 -0.487 -10.630 1.00 0.82 C ATOM 0 H VAL A 5 9.677 -0.155 -8.251 1.00 0.68 H new ATOM 0 HA VAL A 5 10.200 1.832 -10.213 1.00 0.57 H new ATOM 0 HB VAL A 5 9.275 -1.020 -10.248 1.00 0.63 H new ATOM 0 HG11 VAL A 5 9.604 -0.997 -12.694 1.00 0.77 H new ATOM 0 HG12 VAL A 5 8.266 0.063 -12.191 1.00 0.77 H new ATOM 0 HG13 VAL A 5 9.838 0.767 -12.639 1.00 0.77 H new ATOM 0 HG21 VAL A 5 11.527 -1.394 -11.192 1.00 0.82 H new ATOM 0 HG22 VAL A 5 11.867 0.347 -11.053 1.00 0.82 H new ATOM 0 HG23 VAL A 5 11.596 -0.627 -9.588 1.00 0.82 H new ATOM 91 N SER A 6 7.138 0.728 -10.461 1.00 0.46 N ATOM 92 CA SER A 6 5.778 1.114 -10.799 1.00 0.39 C ATOM 93 C SER A 6 4.781 0.281 -9.992 1.00 0.37 C ATOM 94 O SER A 6 5.085 -0.844 -9.596 1.00 0.40 O ATOM 95 CB SER A 6 5.516 0.952 -12.298 1.00 0.44 C ATOM 96 OG SER A 6 6.627 1.377 -13.083 1.00 0.59 O ATOM 0 H SER A 6 7.289 -0.278 -10.382 1.00 0.46 H new ATOM 0 HA SER A 6 5.649 2.167 -10.547 1.00 0.39 H new ATOM 0 HB2 SER A 6 5.296 -0.093 -12.517 1.00 0.44 H new ATOM 0 HB3 SER A 6 4.634 1.528 -12.576 1.00 0.44 H new ATOM 0 HG SER A 6 6.421 1.256 -14.034 1.00 0.59 H new ATOM 102 N SER A 7 3.612 0.863 -9.773 1.00 0.34 N ATOM 103 CA SER A 7 2.569 0.187 -9.021 1.00 0.34 C ATOM 104 C SER A 7 1.200 0.761 -9.393 1.00 0.33 C ATOM 105 O SER A 7 1.115 1.803 -10.041 1.00 0.34 O ATOM 106 CB SER A 7 2.805 0.314 -7.514 1.00 0.35 C ATOM 107 OG SER A 7 2.807 1.674 -7.087 1.00 0.38 O ATOM 0 H SER A 7 3.364 1.796 -10.103 1.00 0.34 H new ATOM 0 HA SER A 7 2.595 -0.872 -9.278 1.00 0.34 H new ATOM 0 HB2 SER A 7 2.029 -0.233 -6.978 1.00 0.35 H new ATOM 0 HB3 SER A 7 3.758 -0.149 -7.256 1.00 0.35 H new ATOM 0 HG SER A 7 2.959 1.713 -6.120 1.00 0.38 H new ATOM 113 N THR A 8 0.162 0.055 -8.967 1.00 0.34 N ATOM 114 CA THR A 8 -1.198 0.481 -9.248 1.00 0.36 C ATOM 115 C THR A 8 -2.085 0.278 -8.017 1.00 0.36 C ATOM 116 O THR A 8 -3.072 -0.454 -8.072 1.00 0.39 O ATOM 117 CB THR A 8 -1.687 -0.281 -10.481 1.00 0.40 C ATOM 118 OG1 THR A 8 -0.718 0.017 -11.481 1.00 0.52 O ATOM 119 CG2 THR A 8 -2.990 0.290 -11.043 1.00 0.60 C ATOM 0 H THR A 8 0.236 -0.809 -8.430 1.00 0.34 H new ATOM 0 HA THR A 8 -1.241 1.547 -9.469 1.00 0.36 H new ATOM 0 HB THR A 8 -1.831 -1.331 -10.225 1.00 0.40 H new ATOM 0 HG1 THR A 8 -0.957 -0.439 -12.315 1.00 0.52 H new ATOM 0 HG21 THR A 8 -3.293 -0.287 -11.917 1.00 0.60 H new ATOM 0 HG22 THR A 8 -3.769 0.234 -10.283 1.00 0.60 H new ATOM 0 HG23 THR A 8 -2.837 1.330 -11.330 1.00 0.60 H new ATOM 127 N PRO A 9 -1.691 0.958 -6.907 1.00 0.35 N ATOM 128 CA PRO A 9 -2.439 0.860 -5.665 1.00 0.37 C ATOM 129 C PRO A 9 -3.737 1.667 -5.741 1.00 0.39 C ATOM 130 O PRO A 9 -4.828 1.104 -5.671 1.00 0.43 O ATOM 131 CB PRO A 9 -1.488 1.364 -4.592 1.00 0.36 C ATOM 132 CG PRO A 9 -0.417 2.157 -5.324 1.00 0.34 C ATOM 133 CD PRO A 9 -0.527 1.834 -6.805 1.00 0.34 C ATOM 0 HA PRO A 9 -2.760 -0.158 -5.447 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -2.011 1.989 -3.869 1.00 0.36 H new ATOM 0 HB3 PRO A 9 -1.049 0.534 -4.038 1.00 0.36 H new ATOM 0 HG2 PRO A 9 -0.551 3.225 -5.156 1.00 0.34 H new ATOM 0 HG3 PRO A 9 0.573 1.897 -4.949 1.00 0.34 H new ATOM 0 HD2 PRO A 9 -0.659 2.738 -7.399 1.00 0.34 H new ATOM 0 HD3 PRO A 9 0.373 1.341 -7.171 1.00 0.34 H new ATOM 141 N ALA A 10 -3.575 2.975 -5.884 1.00 0.44 N ATOM 142 CA ALA A 10 -4.720 3.866 -5.970 1.00 0.47 C ATOM 143 C ALA A 10 -4.250 5.311 -5.798 1.00 0.40 C ATOM 144 O ALA A 10 -4.829 6.066 -5.017 1.00 0.37 O ATOM 145 CB ALA A 10 -5.761 3.462 -4.924 1.00 0.55 C ATOM 0 H ALA A 10 -2.668 3.439 -5.942 1.00 0.44 H new ATOM 0 HA ALA A 10 -5.194 3.788 -6.948 1.00 0.47 H new ATOM 0 HB1 ALA A 10 -6.620 4.130 -4.988 1.00 0.55 H new ATOM 0 HB2 ALA A 10 -6.084 2.437 -5.109 1.00 0.55 H new ATOM 0 HB3 ALA A 10 -5.322 3.530 -3.929 1.00 0.55 H new ATOM 151 N GLU A 11 -3.207 5.653 -6.538 1.00 0.42 N ATOM 152 CA GLU A 11 -2.653 6.995 -6.476 1.00 0.44 C ATOM 153 C GLU A 11 -3.777 8.033 -6.465 1.00 0.46 C ATOM 154 O GLU A 11 -4.439 8.247 -7.480 1.00 0.54 O ATOM 155 CB GLU A 11 -1.688 7.244 -7.637 1.00 0.55 C ATOM 156 CG GLU A 11 -0.284 7.566 -7.123 1.00 0.72 C ATOM 157 CD GLU A 11 0.414 8.578 -8.035 1.00 2.11 C ATOM 158 OE1 GLU A 11 0.004 8.757 -9.192 1.00 2.84 O ATOM 159 OE2 GLU A 11 1.418 9.191 -7.504 1.00 3.10 O ATOM 0 H GLU A 11 -2.730 5.024 -7.184 1.00 0.42 H new ATOM 0 HA GLU A 11 -2.087 7.091 -5.549 1.00 0.44 H new ATOM 0 HB2 GLU A 11 -1.651 6.364 -8.279 1.00 0.55 H new ATOM 0 HB3 GLU A 11 -2.054 8.069 -8.248 1.00 0.55 H new ATOM 0 HG2 GLU A 11 -0.346 7.965 -6.111 1.00 0.72 H new ATOM 0 HG3 GLU A 11 0.306 6.651 -7.069 1.00 0.72 H new ATOM 166 N GLY A 12 -3.958 8.650 -5.307 1.00 0.42 N ATOM 167 CA GLY A 12 -4.990 9.660 -5.150 1.00 0.46 C ATOM 168 C GLY A 12 -6.299 9.213 -5.804 1.00 0.55 C ATOM 169 O GLY A 12 -7.045 10.035 -6.333 1.00 0.77 O ATOM 0 H GLY A 12 -3.407 8.470 -4.468 1.00 0.42 H new ATOM 0 HA2 GLY A 12 -5.156 9.853 -4.090 1.00 0.46 H new ATOM 0 HA3 GLY A 12 -4.658 10.597 -5.597 1.00 0.46 H new ATOM 173 N SER A 13 -6.537 7.911 -5.748 1.00 0.48 N ATOM 174 CA SER A 13 -7.742 7.344 -6.329 1.00 0.57 C ATOM 175 C SER A 13 -8.964 7.761 -5.507 1.00 0.50 C ATOM 176 O SER A 13 -9.248 7.169 -4.466 1.00 0.51 O ATOM 177 CB SER A 13 -7.651 5.818 -6.407 1.00 0.75 C ATOM 178 OG SER A 13 -7.866 5.339 -7.733 1.00 1.23 O ATOM 0 H SER A 13 -5.915 7.232 -5.309 1.00 0.48 H new ATOM 0 HA SER A 13 -7.846 7.727 -7.344 1.00 0.57 H new ATOM 0 HB2 SER A 13 -6.670 5.495 -6.059 1.00 0.75 H new ATOM 0 HB3 SER A 13 -8.389 5.376 -5.737 1.00 0.75 H new ATOM 0 HG SER A 13 -7.798 4.361 -7.743 1.00 1.23 H new ATOM 184 N GLU A 14 -9.655 8.775 -6.006 1.00 0.54 N ATOM 185 CA GLU A 14 -10.839 9.278 -5.331 1.00 0.63 C ATOM 186 C GLU A 14 -12.097 8.904 -6.119 1.00 0.76 C ATOM 187 O GLU A 14 -12.242 9.282 -7.280 1.00 0.92 O ATOM 188 CB GLU A 14 -10.752 10.790 -5.124 1.00 0.82 C ATOM 189 CG GLU A 14 -9.423 11.180 -4.473 1.00 0.87 C ATOM 190 CD GLU A 14 -9.099 12.653 -4.724 1.00 1.15 C ATOM 191 OE1 GLU A 14 -9.954 13.523 -4.495 1.00 1.56 O ATOM 192 OE2 GLU A 14 -7.912 12.882 -5.172 1.00 1.75 O ATOM 0 H GLU A 14 -9.417 9.262 -6.870 1.00 0.54 H new ATOM 0 HA GLU A 14 -10.897 8.813 -4.347 1.00 0.63 H new ATOM 0 HB2 GLU A 14 -10.854 11.298 -6.083 1.00 0.82 H new ATOM 0 HB3 GLU A 14 -11.579 11.123 -4.497 1.00 0.82 H new ATOM 0 HG2 GLU A 14 -9.471 10.993 -3.400 1.00 0.87 H new ATOM 0 HG3 GLU A 14 -8.623 10.556 -4.870 1.00 0.87 H new ATOM 199 N GLY A 15 -12.975 8.166 -5.455 1.00 0.76 N ATOM 200 CA GLY A 15 -14.216 7.738 -6.078 1.00 0.96 C ATOM 201 C GLY A 15 -14.781 6.500 -5.378 1.00 0.68 C ATOM 202 O GLY A 15 -15.972 6.443 -5.076 1.00 0.60 O ATOM 0 H GLY A 15 -12.851 7.854 -4.492 1.00 0.76 H new ATOM 0 HA2 GLY A 15 -14.945 8.547 -6.039 1.00 0.96 H new ATOM 0 HA3 GLY A 15 -14.041 7.517 -7.131 1.00 0.96 H new ATOM 206 N ALA A 16 -13.901 5.539 -5.140 1.00 0.80 N ATOM 207 CA ALA A 16 -14.297 4.306 -4.482 1.00 0.79 C ATOM 208 C ALA A 16 -13.047 3.523 -4.078 1.00 1.18 C ATOM 209 O ALA A 16 -11.943 3.841 -4.516 1.00 1.83 O ATOM 210 CB ALA A 16 -15.212 3.503 -5.410 1.00 0.97 C ATOM 0 H ALA A 16 -12.914 5.590 -5.391 1.00 0.80 H new ATOM 0 HA ALA A 16 -14.860 4.521 -3.573 1.00 0.79 H new ATOM 0 HB1 ALA A 16 -15.509 2.578 -4.916 1.00 0.97 H new ATOM 0 HB2 ALA A 16 -16.100 4.091 -5.644 1.00 0.97 H new ATOM 0 HB3 ALA A 16 -14.680 3.268 -6.332 1.00 0.97 H new ATOM 216 N ALA A 17 -13.261 2.515 -3.245 1.00 0.89 N ATOM 217 CA ALA A 17 -12.165 1.684 -2.776 1.00 1.21 C ATOM 218 C ALA A 17 -11.673 0.801 -3.925 1.00 1.11 C ATOM 219 O ALA A 17 -12.475 0.261 -4.685 1.00 1.05 O ATOM 220 CB ALA A 17 -12.624 0.866 -1.568 1.00 1.47 C ATOM 0 H ALA A 17 -14.178 2.255 -2.882 1.00 0.89 H new ATOM 0 HA ALA A 17 -11.327 2.301 -2.452 1.00 1.21 H new ATOM 0 HB1 ALA A 17 -11.802 0.243 -1.217 1.00 1.47 H new ATOM 0 HB2 ALA A 17 -12.936 1.540 -0.770 1.00 1.47 H new ATOM 0 HB3 ALA A 17 -13.463 0.232 -1.855 1.00 1.47 H new ATOM 226 N PRO A 18 -10.322 0.679 -4.018 1.00 1.16 N ATOM 227 CA PRO A 18 -9.713 -0.129 -5.061 1.00 1.16 C ATOM 228 C PRO A 18 -9.861 -1.620 -4.756 1.00 1.03 C ATOM 229 O PRO A 18 -9.542 -2.067 -3.655 1.00 1.55 O ATOM 230 CB PRO A 18 -8.264 0.325 -5.115 1.00 1.33 C ATOM 231 CG PRO A 18 -7.999 1.034 -3.797 1.00 1.40 C ATOM 232 CD PRO A 18 -9.341 1.305 -3.137 1.00 1.31 C ATOM 0 HA PRO A 18 -10.194 0.003 -6.030 1.00 1.16 H new ATOM 0 HB2 PRO A 18 -7.593 -0.525 -5.243 1.00 1.33 H new ATOM 0 HB3 PRO A 18 -8.096 0.994 -5.959 1.00 1.33 H new ATOM 0 HG2 PRO A 18 -7.373 0.418 -3.151 1.00 1.40 H new ATOM 0 HG3 PRO A 18 -7.461 1.967 -3.966 1.00 1.40 H new ATOM 0 HD2 PRO A 18 -9.382 0.880 -2.134 1.00 1.31 H new ATOM 0 HD3 PRO A 18 -9.524 2.375 -3.038 1.00 1.31 H new ATOM 240 N ALA A 19 -10.346 -2.350 -5.749 1.00 0.79 N ATOM 241 CA ALA A 19 -10.541 -3.782 -5.600 1.00 0.78 C ATOM 242 C ALA A 19 -9.289 -4.400 -4.975 1.00 0.59 C ATOM 243 O ALA A 19 -9.377 -5.112 -3.976 1.00 0.52 O ATOM 244 CB ALA A 19 -10.878 -4.397 -6.961 1.00 1.02 C ATOM 0 H ALA A 19 -10.610 -1.976 -6.661 1.00 0.79 H new ATOM 0 HA ALA A 19 -11.379 -3.988 -4.934 1.00 0.78 H new ATOM 0 HB1 ALA A 19 -11.024 -5.471 -6.849 1.00 1.02 H new ATOM 0 HB2 ALA A 19 -11.791 -3.945 -7.348 1.00 1.02 H new ATOM 0 HB3 ALA A 19 -10.059 -4.213 -7.656 1.00 1.02 H new ATOM 250 N LYS A 20 -8.153 -4.106 -5.590 1.00 0.58 N ATOM 251 CA LYS A 20 -6.885 -4.624 -5.106 1.00 0.52 C ATOM 252 C LYS A 20 -5.755 -3.694 -5.552 1.00 0.49 C ATOM 253 O LYS A 20 -5.824 -3.099 -6.627 1.00 0.54 O ATOM 254 CB LYS A 20 -6.695 -6.076 -5.549 1.00 0.73 C ATOM 255 CG LYS A 20 -6.699 -6.190 -7.075 1.00 0.95 C ATOM 256 CD LYS A 20 -7.699 -7.247 -7.544 1.00 1.84 C ATOM 257 CE LYS A 20 -7.076 -8.159 -8.603 1.00 1.71 C ATOM 258 NZ LYS A 20 -7.692 -9.505 -8.556 1.00 2.63 N ATOM 0 H LYS A 20 -8.084 -3.516 -6.419 1.00 0.58 H new ATOM 0 HA LYS A 20 -6.873 -4.642 -4.016 1.00 0.52 H new ATOM 0 HB2 LYS A 20 -5.754 -6.460 -5.155 1.00 0.73 H new ATOM 0 HB3 LYS A 20 -7.491 -6.694 -5.133 1.00 0.73 H new ATOM 0 HG2 LYS A 20 -6.952 -5.225 -7.514 1.00 0.95 H new ATOM 0 HG3 LYS A 20 -5.700 -6.448 -7.426 1.00 0.95 H new ATOM 0 HD2 LYS A 20 -8.029 -7.844 -6.693 1.00 1.84 H new ATOM 0 HD3 LYS A 20 -8.584 -6.760 -7.954 1.00 1.84 H new ATOM 0 HE2 LYS A 20 -7.214 -7.724 -9.593 1.00 1.71 H new ATOM 0 HE3 LYS A 20 -6.002 -8.238 -8.437 1.00 1.71 H new ATOM 0 HZ1 LYS A 20 -7.258 -10.111 -9.281 1.00 2.63 H new ATOM 0 HZ2 LYS A 20 -7.538 -9.924 -7.617 1.00 2.63 H new ATOM 0 HZ3 LYS A 20 -8.713 -9.426 -8.737 1.00 2.63 H new ATOM 272 N ILE A 21 -4.743 -3.596 -4.704 1.00 0.44 N ATOM 273 CA ILE A 21 -3.600 -2.747 -4.997 1.00 0.41 C ATOM 274 C ILE A 21 -2.557 -3.553 -5.774 1.00 0.42 C ATOM 275 O ILE A 21 -2.308 -4.717 -5.461 1.00 0.40 O ATOM 276 CB ILE A 21 -3.057 -2.117 -3.712 1.00 0.40 C ATOM 277 CG1 ILE A 21 -3.775 -0.801 -3.403 1.00 0.40 C ATOM 278 CG2 ILE A 21 -1.539 -1.939 -3.787 1.00 0.40 C ATOM 279 CD1 ILE A 21 -4.516 -0.881 -2.067 1.00 0.43 C ATOM 0 H ILE A 21 -4.690 -4.090 -3.813 1.00 0.44 H new ATOM 0 HA ILE A 21 -3.898 -1.913 -5.633 1.00 0.41 H new ATOM 0 HB ILE A 21 -3.260 -2.797 -2.885 1.00 0.40 H new ATOM 0 HG12 ILE A 21 -3.052 0.014 -3.373 1.00 0.40 H new ATOM 0 HG13 ILE A 21 -4.481 -0.572 -4.201 1.00 0.40 H new ATOM 0 HG21 ILE A 21 -1.179 -1.490 -2.861 1.00 0.40 H new ATOM 0 HG22 ILE A 21 -1.065 -2.911 -3.927 1.00 0.40 H new ATOM 0 HG23 ILE A 21 -1.290 -1.290 -4.626 1.00 0.40 H new ATOM 0 HD11 ILE A 21 -5.017 0.067 -1.872 1.00 0.43 H new ATOM 0 HD12 ILE A 21 -5.255 -1.681 -2.108 1.00 0.43 H new ATOM 0 HD13 ILE A 21 -3.804 -1.086 -1.268 1.00 0.43 H new ATOM 291 N GLU A 22 -1.975 -2.903 -6.770 1.00 0.45 N ATOM 292 CA GLU A 22 -0.965 -3.545 -7.594 1.00 0.48 C ATOM 293 C GLU A 22 0.408 -2.922 -7.332 1.00 0.44 C ATOM 294 O GLU A 22 0.506 -1.741 -7.001 1.00 0.40 O ATOM 295 CB GLU A 22 -1.332 -3.460 -9.077 1.00 0.49 C ATOM 296 CG GLU A 22 -1.320 -4.846 -9.724 1.00 0.56 C ATOM 297 CD GLU A 22 -1.284 -4.738 -11.250 1.00 1.07 C ATOM 298 OE1 GLU A 22 -0.291 -4.252 -11.813 1.00 1.61 O ATOM 299 OE2 GLU A 22 -2.334 -5.181 -11.854 1.00 2.13 O ATOM 0 H GLU A 22 -2.183 -1.938 -7.026 1.00 0.45 H new ATOM 0 HA GLU A 22 -0.921 -4.600 -7.325 1.00 0.48 H new ATOM 0 HB2 GLU A 22 -2.320 -3.012 -9.186 1.00 0.49 H new ATOM 0 HB3 GLU A 22 -0.628 -2.808 -9.593 1.00 0.49 H new ATOM 0 HG2 GLU A 22 -0.453 -5.407 -9.375 1.00 0.56 H new ATOM 0 HG3 GLU A 22 -2.205 -5.403 -9.416 1.00 0.56 H new ATOM 306 N LEU A 23 1.436 -3.744 -7.490 1.00 0.48 N ATOM 307 CA LEU A 23 2.798 -3.289 -7.276 1.00 0.48 C ATOM 308 C LEU A 23 3.738 -4.039 -8.222 1.00 0.52 C ATOM 309 O LEU A 23 3.527 -5.217 -8.507 1.00 0.58 O ATOM 310 CB LEU A 23 3.180 -3.419 -5.799 1.00 0.52 C ATOM 311 CG LEU A 23 2.267 -2.699 -4.805 1.00 0.49 C ATOM 312 CD1 LEU A 23 2.368 -3.327 -3.414 1.00 0.55 C ATOM 313 CD2 LEU A 23 2.561 -1.198 -4.778 1.00 0.45 C ATOM 0 H LEU A 23 1.352 -4.723 -7.764 1.00 0.48 H new ATOM 0 HA LEU A 23 2.887 -2.229 -7.513 1.00 0.48 H new ATOM 0 HB2 LEU A 23 3.201 -4.478 -5.541 1.00 0.52 H new ATOM 0 HB3 LEU A 23 4.194 -3.040 -5.672 1.00 0.52 H new ATOM 0 HG LEU A 23 1.237 -2.819 -5.139 1.00 0.49 H new ATOM 0 HD11 LEU A 23 1.709 -2.796 -2.727 1.00 0.55 H new ATOM 0 HD12 LEU A 23 2.071 -4.375 -3.465 1.00 0.55 H new ATOM 0 HD13 LEU A 23 3.396 -3.258 -3.057 1.00 0.55 H new ATOM 0 HD21 LEU A 23 1.898 -0.710 -4.063 1.00 0.45 H new ATOM 0 HD22 LEU A 23 3.597 -1.035 -4.481 1.00 0.45 H new ATOM 0 HD23 LEU A 23 2.397 -0.777 -5.770 1.00 0.45 H new ATOM 325 N HIS A 24 4.755 -3.325 -8.684 1.00 0.51 N ATOM 326 CA HIS A 24 5.726 -3.909 -9.592 1.00 0.56 C ATOM 327 C HIS A 24 7.139 -3.528 -9.146 1.00 0.58 C ATOM 328 O HIS A 24 7.327 -2.533 -8.447 1.00 0.56 O ATOM 329 CB HIS A 24 5.432 -3.502 -11.037 1.00 0.52 C ATOM 330 CG HIS A 24 4.275 -4.246 -11.661 1.00 0.61 C ATOM 331 ND1 HIS A 24 4.424 -5.468 -12.294 1.00 0.78 N ATOM 332 CD2 HIS A 24 2.951 -3.929 -11.742 1.00 0.67 C ATOM 333 CE1 HIS A 24 3.236 -5.859 -12.733 1.00 0.87 C ATOM 334 NE2 HIS A 24 2.325 -4.904 -12.390 1.00 0.81 N ATOM 0 H HIS A 24 4.927 -2.348 -8.446 1.00 0.51 H new ATOM 0 HA HIS A 24 5.652 -4.996 -9.559 1.00 0.56 H new ATOM 0 HB2 HIS A 24 5.222 -2.433 -11.067 1.00 0.52 H new ATOM 0 HB3 HIS A 24 6.325 -3.668 -11.639 1.00 0.52 H new ATOM 0 HD2 HIS A 24 2.490 -3.036 -11.346 1.00 0.67 H new ATOM 0 HE1 HIS A 24 3.026 -6.773 -13.268 1.00 0.87 H new ATOM 0 HE2 HIS A 24 1.327 -4.934 -12.597 1.00 0.81 H new ATOM 342 N PHE A 25 8.097 -4.342 -9.566 1.00 0.69 N ATOM 343 CA PHE A 25 9.488 -4.103 -9.218 1.00 0.74 C ATOM 344 C PHE A 25 10.427 -4.726 -10.253 1.00 0.81 C ATOM 345 O PHE A 25 10.477 -5.946 -10.395 1.00 1.06 O ATOM 346 CB PHE A 25 9.730 -4.767 -7.861 1.00 0.89 C ATOM 347 CG PHE A 25 9.185 -3.971 -6.673 1.00 0.89 C ATOM 348 CD1 PHE A 25 7.899 -4.149 -6.268 1.00 2.25 C ATOM 349 CD2 PHE A 25 9.987 -3.088 -6.022 1.00 1.58 C ATOM 350 CE1 PHE A 25 7.393 -3.410 -5.166 1.00 2.29 C ATOM 351 CE2 PHE A 25 9.483 -2.349 -4.918 1.00 1.75 C ATOM 352 CZ PHE A 25 8.196 -2.525 -4.514 1.00 1.23 C ATOM 0 H PHE A 25 7.937 -5.167 -10.144 1.00 0.69 H new ATOM 0 HA PHE A 25 9.685 -3.031 -9.187 1.00 0.74 H new ATOM 0 HB2 PHE A 25 9.270 -5.755 -7.864 1.00 0.89 H new ATOM 0 HB3 PHE A 25 10.802 -4.914 -7.726 1.00 0.89 H new ATOM 0 HD1 PHE A 25 7.263 -4.852 -6.784 1.00 2.25 H new ATOM 0 HD2 PHE A 25 11.008 -2.948 -6.344 1.00 1.58 H new ATOM 0 HE1 PHE A 25 6.371 -3.550 -4.845 1.00 2.29 H new ATOM 0 HE2 PHE A 25 10.121 -1.648 -4.400 1.00 1.75 H new ATOM 0 HZ PHE A 25 7.811 -1.963 -3.676 1.00 1.23 H new ATOM 362 N SER A 26 11.149 -3.860 -10.948 1.00 0.74 N ATOM 363 CA SER A 26 12.083 -4.310 -11.965 1.00 0.82 C ATOM 364 C SER A 26 13.277 -5.006 -11.308 1.00 0.94 C ATOM 365 O SER A 26 14.072 -5.654 -11.985 1.00 1.08 O ATOM 366 CB SER A 26 12.560 -3.142 -12.831 1.00 0.93 C ATOM 367 OG SER A 26 13.494 -2.314 -12.143 1.00 2.48 O ATOM 0 H SER A 26 11.106 -2.848 -10.827 1.00 0.74 H new ATOM 0 HA SER A 26 11.568 -5.020 -12.612 1.00 0.82 H new ATOM 0 HB2 SER A 26 13.020 -3.529 -13.740 1.00 0.93 H new ATOM 0 HB3 SER A 26 11.702 -2.544 -13.137 1.00 0.93 H new ATOM 0 HG SER A 26 13.776 -1.581 -12.730 1.00 2.48 H new ATOM 499 N GLY A 35 7.478 -4.702 2.895 1.00 0.57 N ATOM 500 CA GLY A 35 6.151 -4.893 3.455 1.00 0.72 C ATOM 501 C GLY A 35 5.290 -3.643 3.261 1.00 0.68 C ATOM 502 O GLY A 35 5.811 -2.558 3.009 1.00 0.90 O ATOM 0 HA2 GLY A 35 5.671 -5.748 2.978 1.00 0.72 H new ATOM 0 HA3 GLY A 35 6.230 -5.123 4.517 1.00 0.72 H new ATOM 506 N ALA A 36 3.986 -3.838 3.384 1.00 0.53 N ATOM 507 CA ALA A 36 3.047 -2.740 3.225 1.00 0.52 C ATOM 508 C ALA A 36 1.943 -2.863 4.277 1.00 0.51 C ATOM 509 O ALA A 36 1.707 -3.945 4.813 1.00 0.57 O ATOM 510 CB ALA A 36 2.495 -2.743 1.798 1.00 0.65 C ATOM 0 H ALA A 36 3.557 -4.740 3.592 1.00 0.53 H new ATOM 0 HA ALA A 36 3.545 -1.783 3.380 1.00 0.52 H new ATOM 0 HB1 ALA A 36 1.791 -1.920 1.679 1.00 0.65 H new ATOM 0 HB2 ALA A 36 3.315 -2.624 1.090 1.00 0.65 H new ATOM 0 HB3 ALA A 36 1.985 -3.687 1.607 1.00 0.65 H new ATOM 516 N LYS A 37 1.294 -1.737 4.542 1.00 0.48 N ATOM 517 CA LYS A 37 0.221 -1.706 5.521 1.00 0.51 C ATOM 518 C LYS A 37 -0.724 -0.546 5.197 1.00 0.48 C ATOM 519 O LYS A 37 -0.282 0.588 5.020 1.00 0.49 O ATOM 520 CB LYS A 37 0.790 -1.658 6.939 1.00 0.58 C ATOM 521 CG LYS A 37 0.748 -3.040 7.594 1.00 0.73 C ATOM 522 CD LYS A 37 -0.447 -3.162 8.541 1.00 1.90 C ATOM 523 CE LYS A 37 -0.553 -4.579 9.110 1.00 2.60 C ATOM 524 NZ LYS A 37 0.107 -4.656 10.432 1.00 2.63 N ATOM 0 H LYS A 37 1.491 -0.841 4.096 1.00 0.48 H new ATOM 0 HA LYS A 37 -0.368 -2.622 5.471 1.00 0.51 H new ATOM 0 HB2 LYS A 37 1.818 -1.296 6.910 1.00 0.58 H new ATOM 0 HB3 LYS A 37 0.220 -0.949 7.540 1.00 0.58 H new ATOM 0 HG2 LYS A 37 0.687 -3.809 6.824 1.00 0.73 H new ATOM 0 HG3 LYS A 37 1.672 -3.213 8.145 1.00 0.73 H new ATOM 0 HD2 LYS A 37 -0.344 -2.446 9.356 1.00 1.90 H new ATOM 0 HD3 LYS A 37 -1.364 -2.910 8.009 1.00 1.90 H new ATOM 0 HE2 LYS A 37 -1.601 -4.863 9.203 1.00 2.60 H new ATOM 0 HE3 LYS A 37 -0.090 -5.289 8.424 1.00 2.60 H new ATOM 0 HZ1 LYS A 37 0.026 -5.624 10.804 1.00 2.63 H new ATOM 0 HZ2 LYS A 37 1.112 -4.406 10.334 1.00 2.63 H new ATOM 0 HZ3 LYS A 37 -0.352 -3.993 11.088 1.00 2.63 H new ATOM 538 N LEU A 38 -2.006 -0.870 5.130 1.00 0.49 N ATOM 539 CA LEU A 38 -3.017 0.131 4.832 1.00 0.49 C ATOM 540 C LEU A 38 -3.633 0.633 6.138 1.00 0.49 C ATOM 541 O LEU A 38 -3.831 -0.141 7.074 1.00 0.58 O ATOM 542 CB LEU A 38 -4.042 -0.423 3.840 1.00 0.54 C ATOM 543 CG LEU A 38 -5.346 0.369 3.711 1.00 0.54 C ATOM 544 CD1 LEU A 38 -5.065 1.864 3.554 1.00 0.65 C ATOM 545 CD2 LEU A 38 -6.207 -0.175 2.570 1.00 0.72 C ATOM 0 H LEU A 38 -2.369 -1.812 5.277 1.00 0.49 H new ATOM 0 HA LEU A 38 -2.566 0.994 4.341 1.00 0.49 H new ATOM 0 HB2 LEU A 38 -3.574 -0.478 2.857 1.00 0.54 H new ATOM 0 HB3 LEU A 38 -4.287 -1.444 4.133 1.00 0.54 H new ATOM 0 HG LEU A 38 -5.915 0.243 4.632 1.00 0.54 H new ATOM 0 HD11 LEU A 38 -6.008 2.404 3.464 1.00 0.65 H new ATOM 0 HD12 LEU A 38 -4.521 2.226 4.427 1.00 0.65 H new ATOM 0 HD13 LEU A 38 -4.466 2.029 2.659 1.00 0.65 H new ATOM 0 HD21 LEU A 38 -7.127 0.405 2.500 1.00 0.72 H new ATOM 0 HD22 LEU A 38 -5.658 -0.099 1.632 1.00 0.72 H new ATOM 0 HD23 LEU A 38 -6.451 -1.220 2.764 1.00 0.72 H new ATOM 557 N VAL A 39 -3.922 1.926 6.161 1.00 0.45 N ATOM 558 CA VAL A 39 -4.513 2.541 7.338 1.00 0.48 C ATOM 559 C VAL A 39 -5.635 3.485 6.905 1.00 0.46 C ATOM 560 O VAL A 39 -5.479 4.244 5.950 1.00 0.47 O ATOM 561 CB VAL A 39 -3.429 3.237 8.164 1.00 0.55 C ATOM 562 CG1 VAL A 39 -2.225 2.317 8.377 1.00 0.57 C ATOM 563 CG2 VAL A 39 -3.005 4.554 7.513 1.00 0.61 C ATOM 0 H VAL A 39 -3.758 2.565 5.383 1.00 0.45 H new ATOM 0 HA VAL A 39 -4.958 1.784 7.983 1.00 0.48 H new ATOM 0 HB VAL A 39 -3.850 3.468 9.142 1.00 0.55 H new ATOM 0 HG11 VAL A 39 -1.470 2.837 8.967 1.00 0.57 H new ATOM 0 HG12 VAL A 39 -2.543 1.418 8.905 1.00 0.57 H new ATOM 0 HG13 VAL A 39 -1.803 2.040 7.411 1.00 0.57 H new ATOM 0 HG21 VAL A 39 -2.234 5.028 8.120 1.00 0.61 H new ATOM 0 HG22 VAL A 39 -2.612 4.357 6.516 1.00 0.61 H new ATOM 0 HG23 VAL A 39 -3.867 5.217 7.438 1.00 0.61 H new ATOM 573 N MET A 40 -6.741 3.410 7.631 1.00 0.47 N ATOM 574 CA MET A 40 -7.889 4.250 7.334 1.00 0.47 C ATOM 575 C MET A 40 -7.791 5.590 8.065 1.00 0.52 C ATOM 576 O MET A 40 -8.175 5.697 9.229 1.00 0.56 O ATOM 577 CB MET A 40 -9.171 3.530 7.757 1.00 0.50 C ATOM 578 CG MET A 40 -10.379 4.465 7.669 1.00 0.55 C ATOM 579 SD MET A 40 -11.008 4.805 9.305 1.00 1.10 S ATOM 580 CE MET A 40 -12.329 3.608 9.385 1.00 2.04 C ATOM 0 H MET A 40 -6.866 2.781 8.424 1.00 0.47 H new ATOM 0 HA MET A 40 -7.907 4.443 6.261 1.00 0.47 H new ATOM 0 HB2 MET A 40 -9.332 2.661 7.119 1.00 0.50 H new ATOM 0 HB3 MET A 40 -9.066 3.161 8.777 1.00 0.50 H new ATOM 0 HG2 MET A 40 -10.094 5.396 7.179 1.00 0.55 H new ATOM 0 HG3 MET A 40 -11.158 4.009 7.058 1.00 0.55 H new ATOM 0 HE1 MET A 40 -12.831 3.685 10.349 1.00 2.04 H new ATOM 0 HE2 MET A 40 -13.045 3.802 8.586 1.00 2.04 H new ATOM 0 HE3 MET A 40 -11.919 2.605 9.268 1.00 2.04 H new ATOM 590 N THR A 41 -7.276 6.581 7.352 1.00 0.52 N ATOM 591 CA THR A 41 -7.123 7.910 7.919 1.00 0.58 C ATOM 592 C THR A 41 -8.159 8.866 7.323 1.00 0.63 C ATOM 593 O THR A 41 -7.805 9.821 6.634 1.00 0.70 O ATOM 594 CB THR A 41 -5.679 8.359 7.687 1.00 0.65 C ATOM 595 OG1 THR A 41 -5.724 9.774 7.855 1.00 0.77 O ATOM 596 CG2 THR A 41 -5.233 8.171 6.236 1.00 0.88 C ATOM 0 H THR A 41 -6.959 6.490 6.387 1.00 0.52 H new ATOM 0 HA THR A 41 -7.309 7.906 8.993 1.00 0.58 H new ATOM 0 HB THR A 41 -5.015 7.800 8.346 1.00 0.65 H new ATOM 0 HG1 THR A 41 -6.148 10.183 7.072 1.00 0.77 H new ATOM 0 HG21 THR A 41 -4.201 8.505 6.126 1.00 0.88 H new ATOM 0 HG22 THR A 41 -5.304 7.117 5.967 1.00 0.88 H new ATOM 0 HG23 THR A 41 -5.876 8.757 5.579 1.00 0.88 H new ATOM 604 N ALA A 42 -9.420 8.576 7.611 1.00 0.66 N ATOM 605 CA ALA A 42 -10.510 9.397 7.114 1.00 0.77 C ATOM 606 C ALA A 42 -10.208 10.869 7.406 1.00 0.84 C ATOM 607 O ALA A 42 -9.193 11.187 8.023 1.00 2.05 O ATOM 608 CB ALA A 42 -11.826 8.935 7.743 1.00 1.07 C ATOM 0 H ALA A 42 -9.710 7.783 8.183 1.00 0.66 H new ATOM 0 HA ALA A 42 -10.610 9.289 6.034 1.00 0.77 H new ATOM 0 HB1 ALA A 42 -12.644 9.551 7.370 1.00 1.07 H new ATOM 0 HB2 ALA A 42 -12.008 7.893 7.481 1.00 1.07 H new ATOM 0 HB3 ALA A 42 -11.765 9.031 8.827 1.00 1.07 H new ATOM 726 N MET A 51 -5.779 4.534 11.808 1.00 0.86 N ATOM 727 CA MET A 51 -6.125 3.168 12.158 1.00 0.83 C ATOM 728 C MET A 51 -5.679 2.192 11.067 1.00 0.76 C ATOM 729 O MET A 51 -5.949 2.408 9.887 1.00 0.90 O ATOM 730 CB MET A 51 -7.640 3.058 12.351 1.00 0.86 C ATOM 731 CG MET A 51 -8.006 3.088 13.836 1.00 1.40 C ATOM 732 SD MET A 51 -9.780 3.023 14.029 1.00 1.85 S ATOM 733 CE MET A 51 -9.937 3.691 15.676 1.00 2.22 C ATOM 0 HA MET A 51 -5.611 2.910 13.084 1.00 0.83 H new ATOM 0 HB2 MET A 51 -8.137 3.879 11.834 1.00 0.86 H new ATOM 0 HB3 MET A 51 -8.001 2.133 11.902 1.00 0.86 H new ATOM 0 HG2 MET A 51 -7.545 2.244 14.350 1.00 1.40 H new ATOM 0 HG3 MET A 51 -7.615 3.995 14.297 1.00 1.40 H new ATOM 0 HE1 MET A 51 -10.990 3.721 15.957 1.00 2.22 H new ATOM 0 HE2 MET A 51 -9.392 3.060 16.378 1.00 2.22 H new ATOM 0 HE3 MET A 51 -9.526 4.700 15.700 1.00 2.22 H new ATOM 743 N ALA A 52 -5.003 1.139 11.501 1.00 0.72 N ATOM 744 CA ALA A 52 -4.515 0.129 10.578 1.00 0.67 C ATOM 745 C ALA A 52 -5.666 -0.805 10.196 1.00 0.66 C ATOM 746 O ALA A 52 -6.534 -1.094 11.019 1.00 0.74 O ATOM 747 CB ALA A 52 -3.342 -0.621 11.212 1.00 0.78 C ATOM 0 H ALA A 52 -4.781 0.963 12.481 1.00 0.72 H new ATOM 0 HA ALA A 52 -4.148 0.593 9.662 1.00 0.67 H new ATOM 0 HB1 ALA A 52 -2.977 -1.378 10.518 1.00 0.78 H new ATOM 0 HB2 ALA A 52 -2.540 0.082 11.437 1.00 0.78 H new ATOM 0 HB3 ALA A 52 -3.672 -1.101 12.133 1.00 0.78 H new ATOM 753 N VAL A 53 -5.635 -1.252 8.950 1.00 0.61 N ATOM 754 CA VAL A 53 -6.664 -2.147 8.449 1.00 0.63 C ATOM 755 C VAL A 53 -6.059 -3.532 8.215 1.00 0.68 C ATOM 756 O VAL A 53 -4.915 -3.648 7.778 1.00 0.90 O ATOM 757 CB VAL A 53 -7.307 -1.555 7.194 1.00 0.61 C ATOM 758 CG1 VAL A 53 -6.407 -1.751 5.972 1.00 0.61 C ATOM 759 CG2 VAL A 53 -8.695 -2.154 6.954 1.00 0.75 C ATOM 0 H VAL A 53 -4.913 -1.011 8.271 1.00 0.61 H new ATOM 0 HA VAL A 53 -7.462 -2.261 9.183 1.00 0.63 H new ATOM 0 HB VAL A 53 -7.427 -0.483 7.353 1.00 0.61 H new ATOM 0 HG11 VAL A 53 -6.888 -1.321 5.093 1.00 0.61 H new ATOM 0 HG12 VAL A 53 -5.451 -1.256 6.141 1.00 0.61 H new ATOM 0 HG13 VAL A 53 -6.240 -2.816 5.810 1.00 0.61 H new ATOM 0 HG21 VAL A 53 -9.130 -1.716 6.056 1.00 0.75 H new ATOM 0 HG22 VAL A 53 -8.608 -3.233 6.826 1.00 0.75 H new ATOM 0 HG23 VAL A 53 -9.336 -1.940 7.809 1.00 0.75 H new ATOM 769 N LYS A 54 -6.854 -4.549 8.515 1.00 0.69 N ATOM 770 CA LYS A 54 -6.411 -5.922 8.342 1.00 0.76 C ATOM 771 C LYS A 54 -6.354 -6.251 6.849 1.00 0.66 C ATOM 772 O LYS A 54 -7.384 -6.500 6.224 1.00 0.77 O ATOM 773 CB LYS A 54 -7.296 -6.876 9.148 1.00 0.91 C ATOM 774 CG LYS A 54 -6.763 -7.046 10.572 1.00 2.23 C ATOM 775 CD LYS A 54 -7.869 -7.511 11.520 1.00 2.35 C ATOM 776 CE LYS A 54 -7.530 -8.869 12.137 1.00 3.34 C ATOM 777 NZ LYS A 54 -8.568 -9.271 13.112 1.00 3.45 N ATOM 0 H LYS A 54 -7.802 -4.449 8.877 1.00 0.69 H new ATOM 0 HA LYS A 54 -5.403 -6.049 8.736 1.00 0.76 H new ATOM 0 HB2 LYS A 54 -8.316 -6.492 9.181 1.00 0.91 H new ATOM 0 HB3 LYS A 54 -7.337 -7.846 8.653 1.00 0.91 H new ATOM 0 HG2 LYS A 54 -5.948 -7.770 10.575 1.00 2.23 H new ATOM 0 HG3 LYS A 54 -6.350 -6.101 10.925 1.00 2.23 H new ATOM 0 HD2 LYS A 54 -8.009 -6.774 12.310 1.00 2.35 H new ATOM 0 HD3 LYS A 54 -8.812 -7.580 10.978 1.00 2.35 H new ATOM 0 HE2 LYS A 54 -7.449 -9.621 11.352 1.00 3.34 H new ATOM 0 HE3 LYS A 54 -6.560 -8.818 12.631 1.00 3.34 H new ATOM 0 HZ1 LYS A 54 -8.321 -10.195 13.521 1.00 3.45 H new ATOM 0 HZ2 LYS A 54 -8.626 -8.561 13.870 1.00 3.45 H new ATOM 0 HZ3 LYS A 54 -9.488 -9.340 12.631 1.00 3.45 H new ATOM 791 N ALA A 55 -5.139 -6.241 6.320 1.00 0.64 N ATOM 792 CA ALA A 55 -4.934 -6.534 4.912 1.00 0.56 C ATOM 793 C ALA A 55 -3.863 -7.618 4.773 1.00 0.56 C ATOM 794 O ALA A 55 -3.253 -8.024 5.761 1.00 0.65 O ATOM 795 CB ALA A 55 -4.563 -5.248 4.170 1.00 0.59 C ATOM 0 H ALA A 55 -4.287 -6.035 6.841 1.00 0.64 H new ATOM 0 HA ALA A 55 -5.850 -6.916 4.462 1.00 0.56 H new ATOM 0 HB1 ALA A 55 -4.409 -5.469 3.114 1.00 0.59 H new ATOM 0 HB2 ALA A 55 -5.369 -4.522 4.275 1.00 0.59 H new ATOM 0 HB3 ALA A 55 -3.646 -4.836 4.592 1.00 0.59 H new ATOM 801 N ALA A 56 -3.665 -8.054 3.537 1.00 0.53 N ATOM 802 CA ALA A 56 -2.677 -9.082 3.256 1.00 0.61 C ATOM 803 C ALA A 56 -1.917 -8.717 1.980 1.00 0.54 C ATOM 804 O ALA A 56 -2.512 -8.252 1.010 1.00 0.52 O ATOM 805 CB ALA A 56 -3.371 -10.442 3.152 1.00 0.74 C ATOM 0 H ALA A 56 -4.172 -7.714 2.720 1.00 0.53 H new ATOM 0 HA ALA A 56 -1.950 -9.148 4.066 1.00 0.61 H new ATOM 0 HB1 ALA A 56 -2.630 -11.213 2.941 1.00 0.74 H new ATOM 0 HB2 ALA A 56 -3.872 -10.668 4.093 1.00 0.74 H new ATOM 0 HB3 ALA A 56 -4.106 -10.415 2.347 1.00 0.74 H new ATOM 811 N VAL A 57 -0.612 -8.942 2.022 1.00 0.56 N ATOM 812 CA VAL A 57 0.237 -8.643 0.882 1.00 0.52 C ATOM 813 C VAL A 57 0.559 -9.940 0.136 1.00 0.59 C ATOM 814 O VAL A 57 1.149 -10.857 0.705 1.00 0.70 O ATOM 815 CB VAL A 57 1.488 -7.892 1.343 1.00 0.56 C ATOM 816 CG1 VAL A 57 2.457 -7.676 0.180 1.00 2.66 C ATOM 817 CG2 VAL A 57 1.118 -6.562 2.003 1.00 2.33 C ATOM 0 H VAL A 57 -0.122 -9.328 2.829 1.00 0.56 H new ATOM 0 HA VAL A 57 -0.281 -7.986 0.183 1.00 0.52 H new ATOM 0 HB VAL A 57 1.992 -8.507 2.089 1.00 0.56 H new ATOM 0 HG11 VAL A 57 3.337 -7.140 0.535 1.00 2.66 H new ATOM 0 HG12 VAL A 57 2.759 -8.641 -0.226 1.00 2.66 H new ATOM 0 HG13 VAL A 57 1.966 -7.092 -0.599 1.00 2.66 H new ATOM 0 HG21 VAL A 57 2.025 -6.049 2.321 1.00 2.33 H new ATOM 0 HG22 VAL A 57 0.580 -5.939 1.289 1.00 2.33 H new ATOM 0 HG23 VAL A 57 0.484 -6.750 2.870 1.00 2.33 H new ATOM 827 N SER A 58 0.155 -9.975 -1.126 1.00 0.58 N ATOM 828 CA SER A 58 0.393 -11.144 -1.955 1.00 0.69 C ATOM 829 C SER A 58 1.340 -10.787 -3.103 1.00 0.59 C ATOM 830 O SER A 58 1.689 -9.623 -3.285 1.00 1.07 O ATOM 831 CB SER A 58 -0.920 -11.706 -2.504 1.00 1.01 C ATOM 832 OG SER A 58 -1.889 -11.898 -1.477 1.00 1.24 O ATOM 0 H SER A 58 -0.335 -9.213 -1.594 1.00 0.58 H new ATOM 0 HA SER A 58 0.856 -11.914 -1.337 1.00 0.69 H new ATOM 0 HB2 SER A 58 -1.319 -11.026 -3.256 1.00 1.01 H new ATOM 0 HB3 SER A 58 -0.727 -12.656 -3.003 1.00 1.01 H new ATOM 0 HG SER A 58 -2.713 -12.256 -1.868 1.00 1.24 H new ATOM 838 N GLY A 59 1.726 -11.812 -3.848 1.00 0.80 N ATOM 839 CA GLY A 59 2.625 -11.622 -4.974 1.00 0.67 C ATOM 840 C GLY A 59 2.231 -12.518 -6.149 1.00 0.86 C ATOM 841 O GLY A 59 1.766 -13.639 -5.950 1.00 1.15 O ATOM 0 H GLY A 59 1.433 -12.777 -3.694 1.00 0.80 H new ATOM 0 HA2 GLY A 59 2.606 -10.578 -5.286 1.00 0.67 H new ATOM 0 HA3 GLY A 59 3.647 -11.845 -4.669 1.00 0.67 H new ATOM 885 N LYS A 64 8.718 -10.473 -7.801 1.00 0.81 N ATOM 886 CA LYS A 64 8.918 -9.077 -8.148 1.00 0.75 C ATOM 887 C LYS A 64 7.558 -8.381 -8.247 1.00 0.68 C ATOM 888 O LYS A 64 7.479 -7.155 -8.188 1.00 0.73 O ATOM 889 CB LYS A 64 9.763 -8.956 -9.417 1.00 0.77 C ATOM 890 CG LYS A 64 8.960 -9.366 -10.653 1.00 0.81 C ATOM 891 CD LYS A 64 9.269 -8.447 -11.838 1.00 1.15 C ATOM 892 CE LYS A 64 9.505 -9.259 -13.114 1.00 1.44 C ATOM 893 NZ LYS A 64 10.504 -8.589 -13.976 1.00 2.04 N ATOM 0 HA LYS A 64 9.482 -8.568 -7.367 1.00 0.75 H new ATOM 0 HB2 LYS A 64 10.111 -7.929 -9.530 1.00 0.77 H new ATOM 0 HB3 LYS A 64 10.649 -9.585 -9.329 1.00 0.77 H new ATOM 0 HG2 LYS A 64 9.194 -10.397 -10.917 1.00 0.81 H new ATOM 0 HG3 LYS A 64 7.894 -9.329 -10.427 1.00 0.81 H new ATOM 0 HD2 LYS A 64 8.441 -7.754 -11.991 1.00 1.15 H new ATOM 0 HD3 LYS A 64 10.151 -7.846 -11.617 1.00 1.15 H new ATOM 0 HE2 LYS A 64 9.851 -10.260 -12.857 1.00 1.44 H new ATOM 0 HE3 LYS A 64 8.567 -9.376 -13.657 1.00 1.44 H new ATOM 0 HZ1 LYS A 64 10.653 -9.152 -14.837 1.00 2.04 H new ATOM 0 HZ2 LYS A 64 10.159 -7.643 -14.236 1.00 2.04 H new ATOM 0 HZ3 LYS A 64 11.403 -8.500 -13.461 1.00 2.04 H new ATOM 907 N THR A 65 6.522 -9.193 -8.395 1.00 0.67 N ATOM 908 CA THR A 65 5.171 -8.671 -8.502 1.00 0.66 C ATOM 909 C THR A 65 4.456 -8.759 -7.152 1.00 0.53 C ATOM 910 O THR A 65 4.517 -9.786 -6.480 1.00 0.55 O ATOM 911 CB THR A 65 4.456 -9.435 -9.618 1.00 0.81 C ATOM 912 OG1 THR A 65 5.015 -8.903 -10.816 1.00 0.97 O ATOM 913 CG2 THR A 65 2.970 -9.081 -9.712 1.00 0.81 C ATOM 0 H THR A 65 6.591 -10.209 -8.443 1.00 0.67 H new ATOM 0 HA THR A 65 5.176 -7.613 -8.763 1.00 0.66 H new ATOM 0 HB THR A 65 4.564 -10.507 -9.450 1.00 0.81 H new ATOM 0 HG1 THR A 65 4.608 -9.344 -11.591 1.00 0.97 H new ATOM 0 HG21 THR A 65 2.511 -9.651 -10.520 1.00 0.81 H new ATOM 0 HG22 THR A 65 2.478 -9.324 -8.770 1.00 0.81 H new ATOM 0 HG23 THR A 65 2.862 -8.015 -9.913 1.00 0.81 H new ATOM 921 N MET A 66 3.797 -7.666 -6.795 1.00 0.63 N ATOM 922 CA MET A 66 3.072 -7.607 -5.537 1.00 0.55 C ATOM 923 C MET A 66 1.643 -7.102 -5.751 1.00 0.48 C ATOM 924 O MET A 66 1.401 -6.265 -6.619 1.00 0.43 O ATOM 925 CB MET A 66 3.803 -6.674 -4.570 1.00 0.56 C ATOM 926 CG MET A 66 4.422 -7.460 -3.413 1.00 0.63 C ATOM 927 SD MET A 66 5.583 -8.661 -4.042 1.00 1.60 S ATOM 928 CE MET A 66 6.593 -7.607 -5.068 1.00 0.94 C ATOM 0 H MET A 66 3.750 -6.815 -7.355 1.00 0.63 H new ATOM 0 HA MET A 66 3.024 -8.613 -5.119 1.00 0.55 H new ATOM 0 HB2 MET A 66 4.583 -6.130 -5.103 1.00 0.56 H new ATOM 0 HB3 MET A 66 3.107 -5.932 -4.179 1.00 0.56 H new ATOM 0 HG2 MET A 66 4.927 -6.778 -2.728 1.00 0.63 H new ATOM 0 HG3 MET A 66 3.640 -7.962 -2.844 1.00 0.63 H new ATOM 0 HE1 MET A 66 7.508 -8.133 -5.340 1.00 0.94 H new ATOM 0 HE2 MET A 66 6.043 -7.344 -5.972 1.00 0.94 H new ATOM 0 HE3 MET A 66 6.845 -6.699 -4.520 1.00 0.94 H new ATOM 938 N VAL A 67 0.736 -7.634 -4.946 1.00 0.53 N ATOM 939 CA VAL A 67 -0.663 -7.247 -5.036 1.00 0.51 C ATOM 940 C VAL A 67 -1.279 -7.252 -3.636 1.00 0.52 C ATOM 941 O VAL A 67 -1.342 -8.294 -2.985 1.00 0.62 O ATOM 942 CB VAL A 67 -1.397 -8.165 -6.015 1.00 0.58 C ATOM 943 CG1 VAL A 67 -1.122 -7.753 -7.463 1.00 2.06 C ATOM 944 CG2 VAL A 67 -1.021 -9.630 -5.782 1.00 1.69 C ATOM 0 H VAL A 67 0.941 -8.329 -4.229 1.00 0.53 H new ATOM 0 HA VAL A 67 -0.755 -6.234 -5.429 1.00 0.51 H new ATOM 0 HB VAL A 67 -2.467 -8.061 -5.833 1.00 0.58 H new ATOM 0 HG11 VAL A 67 -1.655 -8.421 -8.139 1.00 2.06 H new ATOM 0 HG12 VAL A 67 -1.462 -6.730 -7.621 1.00 2.06 H new ATOM 0 HG13 VAL A 67 -0.052 -7.814 -7.662 1.00 2.06 H new ATOM 0 HG21 VAL A 67 -1.557 -10.260 -6.491 1.00 1.69 H new ATOM 0 HG22 VAL A 67 0.052 -9.757 -5.923 1.00 1.69 H new ATOM 0 HG23 VAL A 67 -1.290 -9.918 -4.766 1.00 1.69 H new ATOM 954 N ILE A 68 -1.720 -6.075 -3.215 1.00 0.44 N ATOM 955 CA ILE A 68 -2.329 -5.930 -1.903 1.00 0.45 C ATOM 956 C ILE A 68 -3.821 -6.259 -2.001 1.00 0.44 C ATOM 957 O ILE A 68 -4.553 -5.622 -2.757 1.00 0.44 O ATOM 958 CB ILE A 68 -2.043 -4.542 -1.329 1.00 0.48 C ATOM 959 CG1 ILE A 68 -0.853 -4.581 -0.368 1.00 0.52 C ATOM 960 CG2 ILE A 68 -3.291 -3.951 -0.672 1.00 0.54 C ATOM 961 CD1 ILE A 68 0.471 -4.505 -1.131 1.00 0.52 C ATOM 0 H ILE A 68 -1.668 -5.214 -3.759 1.00 0.44 H new ATOM 0 HA ILE A 68 -1.890 -6.637 -1.199 1.00 0.45 H new ATOM 0 HB ILE A 68 -1.771 -3.882 -2.153 1.00 0.48 H new ATOM 0 HG12 ILE A 68 -0.921 -3.750 0.334 1.00 0.52 H new ATOM 0 HG13 ILE A 68 -0.886 -5.498 0.220 1.00 0.52 H new ATOM 0 HG21 ILE A 68 -3.059 -2.964 -0.272 1.00 0.54 H new ATOM 0 HG22 ILE A 68 -4.086 -3.865 -1.413 1.00 0.54 H new ATOM 0 HG23 ILE A 68 -3.619 -4.602 0.138 1.00 0.54 H new ATOM 0 HD11 ILE A 68 1.300 -4.535 -0.424 1.00 0.52 H new ATOM 0 HD12 ILE A 68 0.546 -5.351 -1.814 1.00 0.52 H new ATOM 0 HD13 ILE A 68 0.511 -3.575 -1.699 1.00 0.52 H new ATOM 973 N THR A 69 -4.227 -7.253 -1.224 1.00 0.47 N ATOM 974 CA THR A 69 -5.617 -7.675 -1.214 1.00 0.49 C ATOM 975 C THR A 69 -6.117 -7.827 0.224 1.00 0.52 C ATOM 976 O THR A 69 -5.918 -8.868 0.848 1.00 0.77 O ATOM 977 CB THR A 69 -5.728 -8.961 -2.035 1.00 0.62 C ATOM 978 OG1 THR A 69 -6.409 -8.558 -3.220 1.00 0.64 O ATOM 979 CG2 THR A 69 -6.668 -9.985 -1.395 1.00 0.68 C ATOM 0 H THR A 69 -3.617 -7.778 -0.597 1.00 0.47 H new ATOM 0 HA THR A 69 -6.261 -6.924 -1.672 1.00 0.49 H new ATOM 0 HB THR A 69 -4.738 -9.402 -2.155 1.00 0.62 H new ATOM 0 HG1 THR A 69 -6.522 -9.331 -3.811 1.00 0.64 H new ATOM 0 HG21 THR A 69 -6.711 -10.879 -2.018 1.00 0.68 H new ATOM 0 HG22 THR A 69 -6.297 -10.250 -0.405 1.00 0.68 H new ATOM 0 HG23 THR A 69 -7.666 -9.557 -1.306 1.00 0.68 H new ATOM 987 N PRO A 70 -6.773 -6.744 0.722 1.00 0.42 N ATOM 988 CA PRO A 70 -7.303 -6.747 2.075 1.00 0.52 C ATOM 989 C PRO A 70 -8.570 -7.600 2.166 1.00 0.45 C ATOM 990 O PRO A 70 -9.443 -7.516 1.303 1.00 0.51 O ATOM 991 CB PRO A 70 -7.548 -5.283 2.405 1.00 0.73 C ATOM 992 CG PRO A 70 -7.585 -4.556 1.071 1.00 0.77 C ATOM 993 CD PRO A 70 -7.027 -5.493 0.013 1.00 0.52 C ATOM 0 HA PRO A 70 -6.617 -7.195 2.794 1.00 0.52 H new ATOM 0 HB2 PRO A 70 -8.486 -5.156 2.945 1.00 0.73 H new ATOM 0 HB3 PRO A 70 -6.757 -4.889 3.043 1.00 0.73 H new ATOM 0 HG2 PRO A 70 -8.606 -4.265 0.823 1.00 0.77 H new ATOM 0 HG3 PRO A 70 -6.996 -3.640 1.119 1.00 0.77 H new ATOM 0 HD2 PRO A 70 -7.736 -5.637 -0.802 1.00 0.52 H new ATOM 0 HD3 PRO A 70 -6.113 -5.094 -0.427 1.00 0.52 H new ATOM 1001 N ALA A 71 -8.631 -8.402 3.219 1.00 0.60 N ATOM 1002 CA ALA A 71 -9.776 -9.269 3.434 1.00 0.69 C ATOM 1003 C ALA A 71 -11.010 -8.414 3.731 1.00 0.61 C ATOM 1004 O ALA A 71 -12.117 -8.749 3.311 1.00 0.85 O ATOM 1005 CB ALA A 71 -9.466 -10.256 4.561 1.00 0.92 C ATOM 0 H ALA A 71 -7.905 -8.469 3.933 1.00 0.60 H new ATOM 0 HA ALA A 71 -9.987 -9.853 2.538 1.00 0.69 H new ATOM 0 HB1 ALA A 71 -10.326 -10.906 4.722 1.00 0.92 H new ATOM 0 HB2 ALA A 71 -8.600 -10.860 4.288 1.00 0.92 H new ATOM 0 HB3 ALA A 71 -9.251 -9.706 5.477 1.00 0.92 H new ATOM 1011 N SER A 72 -10.777 -7.327 4.451 1.00 0.55 N ATOM 1012 CA SER A 72 -11.856 -6.422 4.810 1.00 0.65 C ATOM 1013 C SER A 72 -12.090 -5.414 3.681 1.00 0.63 C ATOM 1014 O SER A 72 -11.138 -4.905 3.092 1.00 0.62 O ATOM 1015 CB SER A 72 -11.549 -5.690 6.118 1.00 0.82 C ATOM 1016 OG SER A 72 -12.657 -5.715 7.015 1.00 0.97 O ATOM 0 H SER A 72 -9.857 -7.052 4.796 1.00 0.55 H new ATOM 0 HA SER A 72 -12.761 -7.011 4.958 1.00 0.65 H new ATOM 0 HB2 SER A 72 -10.684 -6.150 6.597 1.00 0.82 H new ATOM 0 HB3 SER A 72 -11.281 -4.656 5.901 1.00 0.82 H new ATOM 0 HG SER A 72 -12.422 -5.239 7.839 1.00 0.97 H new ATOM 1022 N PRO A 73 -13.395 -5.152 3.408 1.00 0.66 N ATOM 1023 CA PRO A 73 -13.766 -4.215 2.360 1.00 0.68 C ATOM 1024 C PRO A 73 -13.535 -2.771 2.809 1.00 0.65 C ATOM 1025 O PRO A 73 -13.922 -2.391 3.913 1.00 0.69 O ATOM 1026 CB PRO A 73 -15.226 -4.517 2.062 1.00 0.74 C ATOM 1027 CG PRO A 73 -15.747 -5.287 3.264 1.00 0.76 C ATOM 1028 CD PRO A 73 -14.549 -5.737 4.084 1.00 0.72 C ATOM 0 HA PRO A 73 -13.158 -4.326 1.462 1.00 0.68 H new ATOM 0 HB2 PRO A 73 -15.792 -3.598 1.912 1.00 0.74 H new ATOM 0 HB3 PRO A 73 -15.325 -5.105 1.149 1.00 0.74 H new ATOM 0 HG2 PRO A 73 -16.406 -4.659 3.864 1.00 0.76 H new ATOM 0 HG3 PRO A 73 -16.334 -6.147 2.941 1.00 0.76 H new ATOM 0 HD2 PRO A 73 -14.622 -5.390 5.115 1.00 0.72 H new ATOM 0 HD3 PRO A 73 -14.479 -6.824 4.118 1.00 0.72 H new ATOM 1036 N LEU A 74 -12.904 -2.006 1.930 1.00 0.65 N ATOM 1037 CA LEU A 74 -12.616 -0.612 2.222 1.00 0.67 C ATOM 1038 C LEU A 74 -13.874 0.225 1.982 1.00 0.67 C ATOM 1039 O LEU A 74 -14.356 0.317 0.855 1.00 0.73 O ATOM 1040 CB LEU A 74 -11.399 -0.139 1.423 1.00 0.76 C ATOM 1041 CG LEU A 74 -10.109 -0.933 1.634 1.00 0.78 C ATOM 1042 CD1 LEU A 74 -9.093 -0.629 0.530 1.00 0.89 C ATOM 1043 CD2 LEU A 74 -9.531 -0.682 3.028 1.00 0.77 C ATOM 0 H LEU A 74 -12.584 -2.325 1.016 1.00 0.65 H new ATOM 0 HA LEU A 74 -12.347 -0.489 3.271 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -11.651 -0.169 0.363 1.00 0.76 H new ATOM 0 HB3 LEU A 74 -11.206 0.904 1.676 1.00 0.76 H new ATOM 0 HG LEU A 74 -10.347 -1.995 1.571 1.00 0.78 H new ATOM 0 HD11 LEU A 74 -8.184 -1.206 0.703 1.00 0.89 H new ATOM 0 HD12 LEU A 74 -9.516 -0.899 -0.438 1.00 0.89 H new ATOM 0 HD13 LEU A 74 -8.854 0.435 0.538 1.00 0.89 H new ATOM 0 HD21 LEU A 74 -8.614 -1.259 3.151 1.00 0.77 H new ATOM 0 HD22 LEU A 74 -9.311 0.379 3.145 1.00 0.77 H new ATOM 0 HD23 LEU A 74 -10.256 -0.987 3.783 1.00 0.77 H new ATOM 1055 N THR A 75 -14.368 0.814 3.060 1.00 0.64 N ATOM 1056 CA THR A 75 -15.560 1.642 2.981 1.00 0.66 C ATOM 1057 C THR A 75 -15.188 3.079 2.615 1.00 0.64 C ATOM 1058 O THR A 75 -14.010 3.428 2.572 1.00 0.62 O ATOM 1059 CB THR A 75 -16.305 1.526 4.313 1.00 0.72 C ATOM 1060 OG1 THR A 75 -15.344 1.932 5.283 1.00 0.77 O ATOM 1061 CG2 THR A 75 -16.620 0.076 4.685 1.00 0.68 C ATOM 0 H THR A 75 -13.965 0.735 3.994 1.00 0.64 H new ATOM 0 HA THR A 75 -16.227 1.302 2.189 1.00 0.66 H new ATOM 0 HB THR A 75 -17.233 2.096 4.261 1.00 0.72 H new ATOM 0 HG1 THR A 75 -14.570 2.328 4.831 1.00 0.77 H new ATOM 0 HG21 THR A 75 -17.149 0.051 5.638 1.00 0.68 H new ATOM 0 HG22 THR A 75 -17.245 -0.370 3.912 1.00 0.68 H new ATOM 0 HG23 THR A 75 -15.691 -0.488 4.771 1.00 0.68 H new ATOM 1069 N ALA A 76 -16.217 3.876 2.360 1.00 0.67 N ATOM 1070 CA ALA A 76 -16.013 5.268 1.998 1.00 0.66 C ATOM 1071 C ALA A 76 -15.058 5.916 3.003 1.00 0.66 C ATOM 1072 O ALA A 76 -14.720 5.315 4.022 1.00 0.77 O ATOM 1073 CB ALA A 76 -17.365 5.982 1.934 1.00 0.72 C ATOM 0 H ALA A 76 -17.193 3.584 2.397 1.00 0.67 H new ATOM 0 HA ALA A 76 -15.556 5.346 1.011 1.00 0.66 H new ATOM 0 HB1 ALA A 76 -17.212 7.027 1.662 1.00 0.72 H new ATOM 0 HB2 ALA A 76 -17.995 5.501 1.186 1.00 0.72 H new ATOM 0 HB3 ALA A 76 -17.852 5.928 2.908 1.00 0.72 H new ATOM 1079 N GLY A 77 -14.649 7.135 2.681 1.00 0.66 N ATOM 1080 CA GLY A 77 -13.740 7.872 3.542 1.00 0.67 C ATOM 1081 C GLY A 77 -12.390 8.090 2.856 1.00 0.63 C ATOM 1082 O GLY A 77 -12.314 8.138 1.628 1.00 0.62 O ATOM 0 H GLY A 77 -14.931 7.631 1.835 1.00 0.66 H new ATOM 0 HA2 GLY A 77 -14.180 8.835 3.801 1.00 0.67 H new ATOM 0 HA3 GLY A 77 -13.594 7.327 4.474 1.00 0.67 H new ATOM 1086 N THR A 78 -11.358 8.216 3.677 1.00 0.64 N ATOM 1087 CA THR A 78 -10.015 8.428 3.165 1.00 0.62 C ATOM 1088 C THR A 78 -9.038 7.439 3.803 1.00 0.50 C ATOM 1089 O THR A 78 -9.080 7.213 5.013 1.00 0.51 O ATOM 1090 CB THR A 78 -9.642 9.891 3.405 1.00 0.72 C ATOM 1091 OG1 THR A 78 -10.438 10.611 2.465 1.00 0.84 O ATOM 1092 CG2 THR A 78 -8.203 10.205 2.992 1.00 0.80 C ATOM 0 H THR A 78 -11.425 8.175 4.694 1.00 0.64 H new ATOM 0 HA THR A 78 -9.967 8.238 2.093 1.00 0.62 H new ATOM 0 HB THR A 78 -9.777 10.131 4.460 1.00 0.72 H new ATOM 0 HG1 THR A 78 -10.260 11.571 2.553 1.00 0.84 H new ATOM 0 HG21 THR A 78 -7.991 11.257 3.184 1.00 0.80 H new ATOM 0 HG22 THR A 78 -7.516 9.585 3.568 1.00 0.80 H new ATOM 0 HG23 THR A 78 -8.076 9.997 1.930 1.00 0.80 H new ATOM 1100 N TYR A 79 -8.182 6.876 2.965 1.00 0.44 N ATOM 1101 CA TYR A 79 -7.196 5.917 3.433 1.00 0.36 C ATOM 1102 C TYR A 79 -5.833 6.170 2.784 1.00 0.35 C ATOM 1103 O TYR A 79 -5.759 6.658 1.658 1.00 0.36 O ATOM 1104 CB TYR A 79 -7.706 4.541 2.999 1.00 0.38 C ATOM 1105 CG TYR A 79 -9.081 4.181 3.564 1.00 0.40 C ATOM 1106 CD1 TYR A 79 -10.198 4.884 3.163 1.00 1.77 C ATOM 1107 CD2 TYR A 79 -9.204 3.152 4.477 1.00 1.90 C ATOM 1108 CE1 TYR A 79 -11.492 4.545 3.696 1.00 1.72 C ATOM 1109 CE2 TYR A 79 -10.498 2.813 5.009 1.00 2.01 C ATOM 1110 CZ TYR A 79 -11.579 3.527 4.593 1.00 0.64 C ATOM 1111 OH TYR A 79 -12.801 3.206 5.095 1.00 0.80 O ATOM 0 H TYR A 79 -8.150 7.065 1.963 1.00 0.44 H new ATOM 0 HA TYR A 79 -7.069 5.994 4.513 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -7.752 4.509 1.910 1.00 0.38 H new ATOM 0 HB3 TYR A 79 -6.987 3.783 3.310 1.00 0.38 H new ATOM 0 HD1 TYR A 79 -10.102 5.689 2.449 1.00 1.77 H new ATOM 0 HD2 TYR A 79 -8.330 2.602 4.792 1.00 1.90 H new ATOM 0 HE1 TYR A 79 -12.374 5.088 3.390 1.00 1.72 H new ATOM 0 HE2 TYR A 79 -10.608 2.010 5.722 1.00 2.01 H new ATOM 0 HH TYR A 79 -13.448 3.899 4.848 1.00 0.80 H new ATOM 1121 N LYS A 80 -4.789 5.827 3.523 1.00 0.50 N ATOM 1122 CA LYS A 80 -3.433 6.010 3.034 1.00 0.53 C ATOM 1123 C LYS A 80 -2.630 4.730 3.274 1.00 0.59 C ATOM 1124 O LYS A 80 -2.396 4.346 4.419 1.00 0.68 O ATOM 1125 CB LYS A 80 -2.803 7.257 3.659 1.00 0.60 C ATOM 1126 CG LYS A 80 -1.381 7.473 3.134 1.00 1.07 C ATOM 1127 CD LYS A 80 -0.373 7.515 4.284 1.00 1.83 C ATOM 1128 CE LYS A 80 0.742 8.524 4.000 1.00 2.13 C ATOM 1129 NZ LYS A 80 0.353 9.873 4.467 1.00 2.32 N ATOM 0 H LYS A 80 -4.854 5.423 4.457 1.00 0.50 H new ATOM 0 HA LYS A 80 -3.437 6.186 1.958 1.00 0.53 H new ATOM 0 HB2 LYS A 80 -3.415 8.130 3.433 1.00 0.60 H new ATOM 0 HB3 LYS A 80 -2.783 7.154 4.744 1.00 0.60 H new ATOM 0 HG2 LYS A 80 -1.118 6.671 2.444 1.00 1.07 H new ATOM 0 HG3 LYS A 80 -1.335 8.405 2.571 1.00 1.07 H new ATOM 0 HD2 LYS A 80 -0.883 7.782 5.210 1.00 1.83 H new ATOM 0 HD3 LYS A 80 0.057 6.524 4.432 1.00 1.83 H new ATOM 0 HE2 LYS A 80 1.659 8.211 4.499 1.00 2.13 H new ATOM 0 HE3 LYS A 80 0.953 8.550 2.931 1.00 2.13 H new ATOM 0 HZ1 LYS A 80 1.121 10.545 4.266 1.00 2.32 H new ATOM 0 HZ2 LYS A 80 -0.510 10.176 3.972 1.00 2.32 H new ATOM 0 HZ3 LYS A 80 0.174 9.848 5.491 1.00 2.32 H new ATOM 1143 N VAL A 81 -2.231 4.105 2.177 1.00 0.57 N ATOM 1144 CA VAL A 81 -1.461 2.875 2.254 1.00 0.65 C ATOM 1145 C VAL A 81 0.030 3.216 2.310 1.00 0.68 C ATOM 1146 O VAL A 81 0.457 4.237 1.772 1.00 1.31 O ATOM 1147 CB VAL A 81 -1.821 1.957 1.083 1.00 0.66 C ATOM 1148 CG1 VAL A 81 -1.163 0.585 1.241 1.00 0.84 C ATOM 1149 CG2 VAL A 81 -3.338 1.825 0.937 1.00 0.66 C ATOM 0 H VAL A 81 -2.426 4.427 1.229 1.00 0.57 H new ATOM 0 HA VAL A 81 -1.705 2.328 3.165 1.00 0.65 H new ATOM 0 HB VAL A 81 -1.435 2.410 0.170 1.00 0.66 H new ATOM 0 HG11 VAL A 81 -1.435 -0.048 0.396 1.00 0.84 H new ATOM 0 HG12 VAL A 81 -0.080 0.702 1.273 1.00 0.84 H new ATOM 0 HG13 VAL A 81 -1.505 0.122 2.166 1.00 0.84 H new ATOM 0 HG21 VAL A 81 -3.567 1.168 0.098 1.00 0.66 H new ATOM 0 HG22 VAL A 81 -3.756 1.405 1.852 1.00 0.66 H new ATOM 0 HG23 VAL A 81 -3.773 2.808 0.757 1.00 0.66 H new ATOM 1159 N ASP A 82 0.780 2.341 2.963 1.00 0.50 N ATOM 1160 CA ASP A 82 2.214 2.537 3.097 1.00 0.54 C ATOM 1161 C ASP A 82 2.938 1.248 2.701 1.00 0.54 C ATOM 1162 O ASP A 82 2.711 0.196 3.296 1.00 0.60 O ATOM 1163 CB ASP A 82 2.593 2.869 4.541 1.00 0.65 C ATOM 1164 CG ASP A 82 2.114 4.233 5.038 1.00 0.96 C ATOM 1165 OD1 ASP A 82 2.356 5.268 4.399 1.00 2.16 O ATOM 1166 OD2 ASP A 82 1.455 4.209 6.148 1.00 1.24 O ATOM 0 H ASP A 82 0.422 1.494 3.405 1.00 0.50 H new ATOM 0 HA ASP A 82 2.504 3.365 2.450 1.00 0.54 H new ATOM 0 HB2 ASP A 82 2.185 2.098 5.194 1.00 0.65 H new ATOM 0 HB3 ASP A 82 3.678 2.825 4.635 1.00 0.65 H new ATOM 1171 N TRP A 83 3.796 1.373 1.698 1.00 0.52 N ATOM 1172 CA TRP A 83 4.556 0.233 1.216 1.00 0.54 C ATOM 1173 C TRP A 83 6.039 0.510 1.472 1.00 0.60 C ATOM 1174 O TRP A 83 6.445 1.663 1.602 1.00 0.58 O ATOM 1175 CB TRP A 83 4.244 -0.051 -0.254 1.00 0.50 C ATOM 1176 CG TRP A 83 4.433 1.157 -1.174 1.00 0.47 C ATOM 1177 CD1 TRP A 83 3.486 1.895 -1.770 1.00 0.49 C ATOM 1178 CD2 TRP A 83 5.689 1.740 -1.582 1.00 0.45 C ATOM 1179 NE1 TRP A 83 4.038 2.908 -2.528 1.00 0.48 N ATOM 1180 CE2 TRP A 83 5.420 2.810 -2.410 1.00 0.46 C ATOM 1181 CE3 TRP A 83 7.008 1.375 -1.260 1.00 0.47 C ATOM 1182 CZ2 TRP A 83 6.420 3.604 -2.986 1.00 0.48 C ATOM 1183 CZ3 TRP A 83 7.996 2.178 -1.844 1.00 0.49 C ATOM 1184 CH2 TRP A 83 7.741 3.259 -2.680 1.00 0.50 C ATOM 0 H TRP A 83 3.981 2.247 1.206 1.00 0.52 H new ATOM 0 HA TRP A 83 4.275 -0.673 1.753 1.00 0.54 H new ATOM 0 HB2 TRP A 83 4.884 -0.863 -0.601 1.00 0.50 H new ATOM 0 HB3 TRP A 83 3.215 -0.400 -0.336 1.00 0.50 H new ATOM 0 HD1 TRP A 83 2.425 1.719 -1.670 1.00 0.49 H new ATOM 0 HE1 TRP A 83 3.526 3.601 -3.074 1.00 0.48 H new ATOM 0 HE3 TRP A 83 7.241 0.542 -0.614 1.00 0.47 H new ATOM 0 HZ2 TRP A 83 6.184 4.437 -3.631 1.00 0.48 H new ATOM 0 HZ3 TRP A 83 9.028 1.941 -1.630 1.00 0.49 H new ATOM 0 HH2 TRP A 83 8.560 3.831 -3.092 1.00 0.50 H new ATOM 1195 N ARG A 84 6.806 -0.568 1.537 1.00 0.71 N ATOM 1196 CA ARG A 84 8.236 -0.456 1.774 1.00 0.79 C ATOM 1197 C ARG A 84 8.987 -1.554 1.020 1.00 0.83 C ATOM 1198 O ARG A 84 8.654 -2.732 1.137 1.00 0.88 O ATOM 1199 CB ARG A 84 8.556 -0.561 3.267 1.00 0.87 C ATOM 1200 CG ARG A 84 8.378 0.790 3.962 1.00 0.91 C ATOM 1201 CD ARG A 84 7.760 0.614 5.351 1.00 1.18 C ATOM 1202 NE ARG A 84 8.106 1.770 6.209 1.00 1.64 N ATOM 1203 CZ ARG A 84 7.456 2.087 7.349 1.00 2.04 C ATOM 1204 NH1 ARG A 84 6.419 1.336 7.779 1.00 2.41 N ATOM 1205 NH2 ARG A 84 7.849 3.142 8.037 1.00 3.10 N ATOM 0 H ARG A 84 6.465 -1.523 1.430 1.00 0.71 H new ATOM 0 HA ARG A 84 8.557 0.521 1.413 1.00 0.79 H new ATOM 0 HB2 ARG A 84 7.904 -1.301 3.731 1.00 0.87 H new ATOM 0 HB3 ARG A 84 9.580 -0.910 3.399 1.00 0.87 H new ATOM 0 HG2 ARG A 84 9.344 1.288 4.050 1.00 0.91 H new ATOM 0 HG3 ARG A 84 7.741 1.434 3.356 1.00 0.91 H new ATOM 0 HD2 ARG A 84 6.677 0.524 5.267 1.00 1.18 H new ATOM 0 HD3 ARG A 84 8.123 -0.308 5.805 1.00 1.18 H new ATOM 0 HE ARG A 84 8.884 2.364 5.921 1.00 1.64 H new ATOM 0 HH11 ARG A 84 6.121 0.522 7.241 1.00 2.41 H new ATOM 0 HH12 ARG A 84 5.934 1.583 8.641 1.00 2.41 H new ATOM 0 HH21 ARG A 84 8.633 3.704 7.705 1.00 3.10 H new ATOM 0 HH22 ARG A 84 7.369 3.396 8.900 1.00 3.10 H new ATOM 1324 N ILE A 93 13.531 1.412 1.423 1.00 0.79 N ATOM 1325 CA ILE A 93 12.710 2.275 0.590 1.00 0.80 C ATOM 1326 C ILE A 93 11.283 2.301 1.143 1.00 0.72 C ATOM 1327 O ILE A 93 10.700 1.253 1.417 1.00 0.93 O ATOM 1328 CB ILE A 93 12.794 1.844 -0.875 1.00 0.94 C ATOM 1329 CG1 ILE A 93 14.250 1.702 -1.323 1.00 1.59 C ATOM 1330 CG2 ILE A 93 12.007 2.799 -1.775 1.00 1.32 C ATOM 1331 CD1 ILE A 93 14.746 0.268 -1.133 1.00 3.04 C ATOM 0 HA ILE A 93 13.083 3.299 0.618 1.00 0.80 H new ATOM 0 HB ILE A 93 12.332 0.861 -0.968 1.00 0.94 H new ATOM 0 HG12 ILE A 93 14.341 1.986 -2.372 1.00 1.59 H new ATOM 0 HG13 ILE A 93 14.878 2.386 -0.752 1.00 1.59 H new ATOM 0 HG21 ILE A 93 12.084 2.469 -2.811 1.00 1.32 H new ATOM 0 HG22 ILE A 93 10.960 2.804 -1.472 1.00 1.32 H new ATOM 0 HG23 ILE A 93 12.416 3.805 -1.684 1.00 1.32 H new ATOM 0 HD11 ILE A 93 15.783 0.196 -1.459 1.00 3.04 H new ATOM 0 HD12 ILE A 93 14.677 -0.004 -0.080 1.00 3.04 H new ATOM 0 HD13 ILE A 93 14.131 -0.411 -1.724 1.00 3.04 H new ATOM 1343 N THR A 94 10.762 3.511 1.290 1.00 0.72 N ATOM 1344 CA THR A 94 9.415 3.688 1.804 1.00 0.68 C ATOM 1345 C THR A 94 8.537 4.396 0.770 1.00 0.69 C ATOM 1346 O THR A 94 9.043 4.929 -0.217 1.00 1.05 O ATOM 1347 CB THR A 94 9.511 4.437 3.134 1.00 0.76 C ATOM 1348 OG1 THR A 94 9.848 5.770 2.758 1.00 0.87 O ATOM 1349 CG2 THR A 94 10.700 3.978 3.980 1.00 1.01 C ATOM 0 H THR A 94 11.249 4.378 1.062 1.00 0.72 H new ATOM 0 HA THR A 94 8.934 2.728 1.989 1.00 0.68 H new ATOM 0 HB THR A 94 8.588 4.296 3.697 1.00 0.76 H new ATOM 0 HG1 THR A 94 9.929 6.326 3.561 1.00 0.87 H new ATOM 0 HG21 THR A 94 10.722 4.541 4.913 1.00 1.01 H new ATOM 0 HG22 THR A 94 10.601 2.915 4.200 1.00 1.01 H new ATOM 0 HG23 THR A 94 11.626 4.150 3.431 1.00 1.01 H new ATOM 1357 N GLY A 95 7.239 4.377 1.031 1.00 0.47 N ATOM 1358 CA GLY A 95 6.286 5.011 0.135 1.00 0.44 C ATOM 1359 C GLY A 95 4.851 4.801 0.623 1.00 0.42 C ATOM 1360 O GLY A 95 4.575 3.854 1.359 1.00 0.49 O ATOM 0 H GLY A 95 6.824 3.933 1.850 1.00 0.47 H new ATOM 0 HA2 GLY A 95 6.499 6.078 0.068 1.00 0.44 H new ATOM 0 HA3 GLY A 95 6.396 4.600 -0.869 1.00 0.44 H new ATOM 1364 N SER A 96 3.976 5.697 0.192 1.00 0.41 N ATOM 1365 CA SER A 96 2.576 5.622 0.575 1.00 0.43 C ATOM 1366 C SER A 96 1.689 6.024 -0.604 1.00 0.39 C ATOM 1367 O SER A 96 2.142 6.702 -1.524 1.00 0.49 O ATOM 1368 CB SER A 96 2.288 6.514 1.784 1.00 0.55 C ATOM 1369 OG SER A 96 3.403 6.592 2.668 1.00 0.81 O ATOM 0 H SER A 96 4.209 6.480 -0.419 1.00 0.41 H new ATOM 0 HA SER A 96 2.352 4.593 0.855 1.00 0.43 H new ATOM 0 HB2 SER A 96 2.026 7.515 1.442 1.00 0.55 H new ATOM 0 HB3 SER A 96 1.424 6.126 2.323 1.00 0.55 H new ATOM 0 HG SER A 96 3.359 5.858 3.316 1.00 0.81 H new ATOM 1375 N VAL A 97 0.440 5.587 -0.539 1.00 0.34 N ATOM 1376 CA VAL A 97 -0.516 5.893 -1.590 1.00 0.31 C ATOM 1377 C VAL A 97 -1.862 6.253 -0.959 1.00 0.33 C ATOM 1378 O VAL A 97 -2.558 5.386 -0.433 1.00 0.36 O ATOM 1379 CB VAL A 97 -0.609 4.721 -2.569 1.00 0.30 C ATOM 1380 CG1 VAL A 97 -1.185 5.174 -3.912 1.00 0.45 C ATOM 1381 CG2 VAL A 97 0.755 4.051 -2.754 1.00 0.49 C ATOM 0 H VAL A 97 0.068 5.023 0.225 1.00 0.34 H new ATOM 0 HA VAL A 97 -0.186 6.757 -2.168 1.00 0.31 H new ATOM 0 HB VAL A 97 -1.289 3.983 -2.145 1.00 0.30 H new ATOM 0 HG11 VAL A 97 -1.241 4.322 -4.590 1.00 0.45 H new ATOM 0 HG12 VAL A 97 -2.184 5.583 -3.760 1.00 0.45 H new ATOM 0 HG13 VAL A 97 -0.541 5.940 -4.344 1.00 0.45 H new ATOM 0 HG21 VAL A 97 0.661 3.221 -3.455 1.00 0.49 H new ATOM 0 HG22 VAL A 97 1.467 4.777 -3.146 1.00 0.49 H new ATOM 0 HG23 VAL A 97 1.110 3.677 -1.794 1.00 0.49 H new ATOM 1391 N THR A 98 -2.190 7.535 -1.035 1.00 0.34 N ATOM 1392 CA THR A 98 -3.441 8.021 -0.478 1.00 0.37 C ATOM 1393 C THR A 98 -4.552 7.957 -1.527 1.00 0.35 C ATOM 1394 O THR A 98 -4.331 8.285 -2.692 1.00 0.36 O ATOM 1395 CB THR A 98 -3.201 9.430 0.066 1.00 0.42 C ATOM 1396 OG1 THR A 98 -4.358 9.701 0.853 1.00 0.47 O ATOM 1397 CG2 THR A 98 -3.237 10.496 -1.031 1.00 0.45 C ATOM 0 H THR A 98 -1.611 8.251 -1.474 1.00 0.34 H new ATOM 0 HA THR A 98 -3.777 7.392 0.346 1.00 0.37 H new ATOM 0 HB THR A 98 -2.236 9.464 0.572 1.00 0.42 H new ATOM 0 HG1 THR A 98 -4.284 10.596 1.245 1.00 0.47 H new ATOM 0 HG21 THR A 98 -3.061 11.477 -0.591 1.00 0.45 H new ATOM 0 HG22 THR A 98 -2.463 10.285 -1.769 1.00 0.45 H new ATOM 0 HG23 THR A 98 -4.213 10.486 -1.516 1.00 0.45 H new ATOM 1405 N PHE A 99 -5.724 7.530 -1.077 1.00 0.36 N ATOM 1406 CA PHE A 99 -6.870 7.418 -1.963 1.00 0.36 C ATOM 1407 C PHE A 99 -8.179 7.596 -1.191 1.00 0.37 C ATOM 1408 O PHE A 99 -8.257 7.264 -0.009 1.00 0.37 O ATOM 1409 CB PHE A 99 -6.833 6.013 -2.566 1.00 0.34 C ATOM 1410 CG PHE A 99 -7.166 4.900 -1.571 1.00 0.33 C ATOM 1411 CD1 PHE A 99 -8.462 4.623 -1.269 1.00 1.61 C ATOM 1412 CD2 PHE A 99 -6.164 4.187 -0.989 1.00 1.79 C ATOM 1413 CE1 PHE A 99 -8.771 3.589 -0.345 1.00 1.56 C ATOM 1414 CE2 PHE A 99 -6.473 3.153 -0.065 1.00 1.84 C ATOM 1415 CZ PHE A 99 -7.769 2.876 0.237 1.00 0.40 C ATOM 0 H PHE A 99 -5.904 7.258 -0.111 1.00 0.36 H new ATOM 0 HA PHE A 99 -6.825 8.191 -2.730 1.00 0.36 H new ATOM 0 HB2 PHE A 99 -7.537 5.967 -3.397 1.00 0.34 H new ATOM 0 HB3 PHE A 99 -5.841 5.832 -2.979 1.00 0.34 H new ATOM 0 HD1 PHE A 99 -9.257 5.189 -1.732 1.00 1.61 H new ATOM 0 HD2 PHE A 99 -5.134 4.407 -1.229 1.00 1.79 H new ATOM 0 HE1 PHE A 99 -9.801 3.369 -0.105 1.00 1.56 H new ATOM 0 HE2 PHE A 99 -5.678 2.587 0.398 1.00 1.84 H new ATOM 0 HZ PHE A 99 -8.003 2.090 0.939 1.00 0.40 H new ATOM 1425 N LYS A 100 -9.176 8.117 -1.890 1.00 0.42 N ATOM 1426 CA LYS A 100 -10.477 8.342 -1.285 1.00 0.45 C ATOM 1427 C LYS A 100 -11.430 7.219 -1.702 1.00 0.47 C ATOM 1428 O LYS A 100 -11.120 6.440 -2.603 1.00 0.51 O ATOM 1429 CB LYS A 100 -10.992 9.743 -1.625 1.00 0.50 C ATOM 1430 CG LYS A 100 -10.136 10.819 -0.954 1.00 0.51 C ATOM 1431 CD LYS A 100 -10.557 12.217 -1.410 1.00 1.24 C ATOM 1432 CE LYS A 100 -11.418 12.904 -0.349 1.00 1.87 C ATOM 1433 NZ LYS A 100 -12.225 13.986 -0.957 1.00 2.67 N ATOM 0 H LYS A 100 -9.109 8.390 -2.870 1.00 0.42 H new ATOM 0 HA LYS A 100 -10.402 8.310 -0.198 1.00 0.45 H new ATOM 0 HB2 LYS A 100 -10.981 9.886 -2.706 1.00 0.50 H new ATOM 0 HB3 LYS A 100 -12.028 9.842 -1.301 1.00 0.50 H new ATOM 0 HG2 LYS A 100 -10.231 10.742 0.129 1.00 0.51 H new ATOM 0 HG3 LYS A 100 -9.085 10.655 -1.194 1.00 0.51 H new ATOM 0 HD2 LYS A 100 -9.671 12.820 -1.611 1.00 1.24 H new ATOM 0 HD3 LYS A 100 -11.113 12.146 -2.345 1.00 1.24 H new ATOM 0 HE2 LYS A 100 -12.075 12.174 0.123 1.00 1.87 H new ATOM 0 HE3 LYS A 100 -10.781 13.314 0.435 1.00 1.87 H new ATOM 0 HZ1 LYS A 100 -12.804 14.442 -0.223 1.00 2.67 H new ATOM 0 HZ2 LYS A 100 -11.593 14.691 -1.387 1.00 2.67 H new ATOM 0 HZ3 LYS A 100 -12.846 13.586 -1.689 1.00 2.67 H new ATOM 1447 N VAL A 101 -12.569 7.172 -1.028 1.00 0.47 N ATOM 1448 CA VAL A 101 -13.569 6.158 -1.317 1.00 0.50 C ATOM 1449 C VAL A 101 -14.965 6.761 -1.150 1.00 0.54 C ATOM 1450 O VAL A 101 -15.335 7.184 -0.056 1.00 0.56 O ATOM 1451 CB VAL A 101 -13.338 4.930 -0.434 1.00 0.51 C ATOM 1452 CG1 VAL A 101 -14.380 3.846 -0.720 1.00 0.54 C ATOM 1453 CG2 VAL A 101 -11.919 4.386 -0.609 1.00 0.60 C ATOM 0 H VAL A 101 -12.822 7.820 -0.282 1.00 0.47 H new ATOM 0 HA VAL A 101 -13.483 5.820 -2.350 1.00 0.50 H new ATOM 0 HB VAL A 101 -13.451 5.239 0.605 1.00 0.51 H new ATOM 0 HG11 VAL A 101 -14.194 2.984 -0.079 1.00 0.54 H new ATOM 0 HG12 VAL A 101 -15.377 4.238 -0.520 1.00 0.54 H new ATOM 0 HG13 VAL A 101 -14.312 3.543 -1.765 1.00 0.54 H new ATOM 0 HG21 VAL A 101 -11.782 3.514 0.030 1.00 0.60 H new ATOM 0 HG22 VAL A 101 -11.764 4.101 -1.650 1.00 0.60 H new ATOM 0 HG23 VAL A 101 -11.198 5.155 -0.332 1.00 0.60 H new ATOM 1463 N LYS A 102 -15.700 6.782 -2.251 1.00 0.57 N ATOM 1464 CA LYS A 102 -17.048 7.326 -2.241 1.00 0.63 C ATOM 1465 C LYS A 102 -18.048 6.205 -2.526 1.00 0.68 C ATOM 1466 O LYS A 102 -18.892 5.893 -1.686 1.00 1.27 O ATOM 1467 CB LYS A 102 -17.156 8.507 -3.208 1.00 0.71 C ATOM 1468 CG LYS A 102 -16.081 9.557 -2.915 1.00 0.76 C ATOM 1469 CD LYS A 102 -16.684 10.780 -2.221 1.00 1.08 C ATOM 1470 CE LYS A 102 -16.751 10.573 -0.706 1.00 2.65 C ATOM 1471 NZ LYS A 102 -18.099 10.109 -0.307 1.00 3.85 N ATOM 1472 OXT LYS A 102 -18.150 5.250 -1.759 1.00 1.15 O ATOM 0 H LYS A 102 -15.388 6.431 -3.157 1.00 0.57 H new ATOM 0 HA LYS A 102 -17.290 7.726 -1.256 1.00 0.63 H new ATOM 0 HB2 LYS A 102 -17.053 8.152 -4.234 1.00 0.71 H new ATOM 0 HB3 LYS A 102 -18.144 8.960 -3.125 1.00 0.71 H new ATOM 0 HG2 LYS A 102 -15.305 9.122 -2.285 1.00 0.76 H new ATOM 0 HG3 LYS A 102 -15.602 9.862 -3.845 1.00 0.76 H new ATOM 0 HD2 LYS A 102 -16.084 11.662 -2.445 1.00 1.08 H new ATOM 0 HD3 LYS A 102 -17.685 10.967 -2.611 1.00 1.08 H new ATOM 0 HE2 LYS A 102 -16.003 9.842 -0.399 1.00 2.65 H new ATOM 0 HE3 LYS A 102 -16.514 11.506 -0.194 1.00 2.65 H new ATOM 0 HZ1 LYS A 102 -18.030 9.554 0.570 1.00 3.85 H new ATOM 0 HZ2 LYS A 102 -18.716 10.931 -0.148 1.00 3.85 H new ATOM 0 HZ3 LYS A 102 -18.500 9.516 -1.062 1.00 3.85 H new