USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 61 GLN : amide:sc= -0.704 K(o=-2.9,f=-2.2) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -2.22 K(o=-2.9,f=-6.4!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -112:sc= -1.03 (180deg=-5.27!) USER MOD Set 2.2: A 49 GLN : amide:sc= -1.03 K(o=-2.1,f=-15!) USER MOD Single : A 1 MET CE :methyl -177:sc= -0.266 (180deg=-0.306) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.25! (180deg=0.115!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 121:sc= 1.27 USER MOD Single : A 9 SER OG : rot 85:sc= 0.763 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -2.23! (180deg=-3.28!) USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 0.422 (180deg=0.31) USER MOD Single : A 25 SER OG : rot 167:sc= 1.17 USER MOD Single : A 26 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.25) USER MOD Single : A 33 TYR OH : rot 64:sc= 0.489 USER MOD Single : A 34 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.1!) USER MOD Single : A 35 TYR OH : rot -140:sc= -1.1 USER MOD Single : A 44 THR OG1 : rot 132:sc= 1.26 USER MOD Single : A 50 GLN : amide:sc= -0.0822 X(o=-0.082,f=-0.31) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= -1.11! (180deg=-1.47!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= 0.862 (180deg=-3.03!) USER MOD Single : A 58 THR OG1 : rot 150:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.328 K(o=-0.33,f=-3.3!) USER MOD Single : A 67 GLN : amide:sc= -0.739 X(o=-0.74,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0.971 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= -5.7! (180deg=-9.62!) USER MOD Single : A 82 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.876 -2.532 7.733 1.00 2.27 N ATOM 2 CA MET A 1 -8.477 -2.256 6.328 1.00 1.70 C ATOM 3 C MET A 1 -7.227 -3.082 6.025 1.00 1.45 C ATOM 4 O MET A 1 -6.500 -3.432 6.936 1.00 1.45 O ATOM 5 CB MET A 1 -8.166 -0.761 6.150 1.00 1.94 C ATOM 6 CG MET A 1 -7.663 -0.483 4.729 1.00 2.57 C ATOM 7 SD MET A 1 -7.689 1.234 4.171 1.00 3.17 S ATOM 8 CE MET A 1 -9.297 1.164 3.338 1.00 2.18 C ATOM 0 H1 MET A 1 -9.685 -1.931 7.988 1.00 2.27 H new ATOM 0 H2 MET A 1 -9.144 -3.532 7.828 1.00 2.27 H new ATOM 0 H3 MET A 1 -8.078 -2.326 8.367 1.00 2.27 H new ATOM 0 HA MET A 1 -9.287 -2.521 5.648 1.00 1.70 H new ATOM 0 HB2 MET A 1 -9.061 -0.171 6.347 1.00 1.94 H new ATOM 0 HB3 MET A 1 -7.414 -0.451 6.876 1.00 1.94 H new ATOM 0 HG2 MET A 1 -6.638 -0.848 4.655 1.00 2.57 H new ATOM 0 HG3 MET A 1 -8.262 -1.073 4.036 1.00 2.57 H new ATOM 0 HE1 MET A 1 -9.502 2.123 2.862 1.00 2.18 H new ATOM 0 HE2 MET A 1 -9.281 0.379 2.582 1.00 2.18 H new ATOM 0 HE3 MET A 1 -10.076 0.948 4.069 1.00 2.18 H new ATOM 18 N GLN A 2 -7.006 -3.385 4.764 1.00 1.49 N ATOM 19 CA GLN A 2 -5.816 -4.183 4.362 1.00 1.32 C ATOM 20 C GLN A 2 -5.138 -3.514 3.158 1.00 1.20 C ATOM 21 O GLN A 2 -5.806 -2.878 2.369 1.00 1.80 O ATOM 22 CB GLN A 2 -6.295 -5.575 3.948 1.00 1.47 C ATOM 23 CG GLN A 2 -7.071 -6.220 5.102 1.00 2.37 C ATOM 24 CD GLN A 2 -7.434 -7.655 4.723 1.00 2.69 C ATOM 25 OE1 GLN A 2 -6.594 -8.520 4.677 1.00 2.86 O ATOM 26 NE2 GLN A 2 -8.664 -7.946 4.432 1.00 3.86 N ATOM 0 H GLN A 2 -7.612 -3.106 3.992 1.00 1.49 H new ATOM 0 HA GLN A 2 -5.109 -4.248 5.189 1.00 1.32 H new ATOM 0 HB2 GLN A 2 -6.930 -5.504 3.065 1.00 1.47 H new ATOM 0 HB3 GLN A 2 -5.442 -6.198 3.678 1.00 1.47 H new ATOM 0 HG2 GLN A 2 -6.469 -6.212 6.010 1.00 2.37 H new ATOM 0 HG3 GLN A 2 -7.974 -5.648 5.314 1.00 2.37 H new ATOM 0 HE21 GLN A 2 -9.382 -7.222 4.468 1.00 3.86 H new ATOM 0 HE22 GLN A 2 -8.914 -8.899 4.167 1.00 3.86 H new ATOM 35 N THR A 3 -3.846 -3.650 3.005 1.00 0.57 N ATOM 36 CA THR A 3 -3.191 -3.011 1.814 1.00 0.47 C ATOM 37 C THR A 3 -2.096 -3.897 1.189 1.00 0.42 C ATOM 38 O THR A 3 -1.304 -4.488 1.887 1.00 0.53 O ATOM 39 CB THR A 3 -2.595 -1.676 2.276 1.00 0.54 C ATOM 40 OG1 THR A 3 -3.726 -0.847 2.551 1.00 0.72 O ATOM 41 CG2 THR A 3 -1.832 -0.959 1.156 1.00 0.68 C ATOM 0 H THR A 3 -3.226 -4.161 3.633 1.00 0.57 H new ATOM 0 HA THR A 3 -3.940 -2.864 1.036 1.00 0.47 H new ATOM 0 HB THR A 3 -1.916 -1.852 3.111 1.00 0.54 H new ATOM 0 HG1 THR A 3 -3.697 -0.554 3.486 1.00 0.72 H new ATOM 0 HG21 THR A 3 -1.429 -0.019 1.534 1.00 0.68 H new ATOM 0 HG22 THR A 3 -1.014 -1.591 0.810 1.00 0.68 H new ATOM 0 HG23 THR A 3 -2.509 -0.756 0.326 1.00 0.68 H new ATOM 49 N VAL A 4 -2.068 -3.952 -0.124 1.00 0.35 N ATOM 50 CA VAL A 4 -1.025 -4.769 -0.840 1.00 0.36 C ATOM 51 C VAL A 4 -0.245 -3.844 -1.777 1.00 0.35 C ATOM 52 O VAL A 4 -0.839 -3.043 -2.491 1.00 0.39 O ATOM 53 CB VAL A 4 -1.686 -5.888 -1.666 1.00 0.44 C ATOM 54 CG1 VAL A 4 -0.585 -6.766 -2.287 1.00 0.53 C ATOM 55 CG2 VAL A 4 -2.555 -6.765 -0.760 1.00 0.58 C ATOM 0 H VAL A 4 -2.724 -3.465 -0.735 1.00 0.35 H new ATOM 0 HA VAL A 4 -0.359 -5.226 -0.108 1.00 0.36 H new ATOM 0 HB VAL A 4 -2.305 -5.441 -2.444 1.00 0.44 H new ATOM 0 HG11 VAL A 4 -1.043 -7.562 -2.874 1.00 0.53 H new ATOM 0 HG12 VAL A 4 0.046 -6.156 -2.933 1.00 0.53 H new ATOM 0 HG13 VAL A 4 0.022 -7.203 -1.494 1.00 0.53 H new ATOM 0 HG21 VAL A 4 -3.018 -7.554 -1.353 1.00 0.58 H new ATOM 0 HG22 VAL A 4 -1.935 -7.212 0.017 1.00 0.58 H new ATOM 0 HG23 VAL A 4 -3.331 -6.154 -0.298 1.00 0.58 H new ATOM 65 N ILE A 5 1.058 -3.971 -1.731 1.00 0.35 N ATOM 66 CA ILE A 5 1.928 -3.134 -2.610 1.00 0.40 C ATOM 67 C ILE A 5 2.584 -4.049 -3.647 1.00 0.46 C ATOM 68 O ILE A 5 3.175 -5.041 -3.272 1.00 0.64 O ATOM 69 CB ILE A 5 3.041 -2.473 -1.774 1.00 0.49 C ATOM 70 CG1 ILE A 5 2.483 -1.850 -0.474 1.00 0.56 C ATOM 71 CG2 ILE A 5 3.742 -1.404 -2.633 1.00 0.54 C ATOM 72 CD1 ILE A 5 1.397 -0.809 -0.763 1.00 1.54 C ATOM 0 H ILE A 5 1.556 -4.619 -1.121 1.00 0.35 H new ATOM 0 HA ILE A 5 1.327 -2.362 -3.090 1.00 0.40 H new ATOM 0 HB ILE A 5 3.759 -3.237 -1.477 1.00 0.49 H new ATOM 0 HG12 ILE A 5 2.073 -2.637 0.159 1.00 0.56 H new ATOM 0 HG13 ILE A 5 3.295 -1.383 0.083 1.00 0.56 H new ATOM 0 HG21 ILE A 5 4.532 -0.930 -2.051 1.00 0.54 H new ATOM 0 HG22 ILE A 5 4.175 -1.873 -3.517 1.00 0.54 H new ATOM 0 HG23 ILE A 5 3.016 -0.651 -2.941 1.00 0.54 H new ATOM 0 HD11 ILE A 5 1.031 -0.395 0.176 1.00 1.54 H new ATOM 0 HD12 ILE A 5 1.814 -0.009 -1.374 1.00 1.54 H new ATOM 0 HD13 ILE A 5 0.573 -1.282 -1.297 1.00 1.54 H new ATOM 84 N PHE A 6 2.484 -3.696 -4.904 1.00 0.39 N ATOM 85 CA PHE A 6 3.097 -4.522 -5.985 1.00 0.46 C ATOM 86 C PHE A 6 4.282 -3.745 -6.556 1.00 0.58 C ATOM 87 O PHE A 6 4.185 -3.165 -7.625 1.00 0.86 O ATOM 88 CB PHE A 6 2.082 -4.765 -7.121 1.00 0.54 C ATOM 89 CG PHE A 6 1.041 -5.830 -6.740 1.00 0.59 C ATOM 90 CD1 PHE A 6 0.055 -5.565 -5.807 1.00 0.90 C ATOM 91 CD2 PHE A 6 1.057 -7.067 -7.362 1.00 0.74 C ATOM 92 CE1 PHE A 6 -0.899 -6.517 -5.504 1.00 1.07 C ATOM 93 CE2 PHE A 6 0.102 -8.018 -7.064 1.00 0.84 C ATOM 94 CZ PHE A 6 -0.878 -7.743 -6.135 1.00 0.92 C ATOM 0 H PHE A 6 1.998 -2.861 -5.229 1.00 0.39 H new ATOM 0 HA PHE A 6 3.408 -5.483 -5.575 1.00 0.46 H new ATOM 0 HB2 PHE A 6 1.575 -3.831 -7.361 1.00 0.54 H new ATOM 0 HB3 PHE A 6 2.612 -5.080 -8.020 1.00 0.54 H new ATOM 0 HD1 PHE A 6 0.031 -4.606 -5.311 1.00 0.90 H new ATOM 0 HD2 PHE A 6 1.825 -7.290 -8.088 1.00 0.74 H new ATOM 0 HE1 PHE A 6 -1.663 -6.301 -4.772 1.00 1.07 H new ATOM 0 HE2 PHE A 6 0.123 -8.978 -7.559 1.00 0.84 H new ATOM 0 HZ PHE A 6 -1.627 -8.485 -5.902 1.00 0.92 H new ATOM 104 N GLY A 7 5.338 -3.682 -5.809 1.00 0.58 N ATOM 105 CA GLY A 7 6.537 -2.943 -6.302 1.00 0.71 C ATOM 106 C GLY A 7 7.726 -3.826 -6.037 1.00 0.79 C ATOM 107 O GLY A 7 7.549 -5.013 -5.899 1.00 1.14 O ATOM 0 H GLY A 7 5.430 -4.104 -4.885 1.00 0.58 H new ATOM 0 HA2 GLY A 7 6.447 -2.724 -7.366 1.00 0.71 H new ATOM 0 HA3 GLY A 7 6.642 -1.988 -5.788 1.00 0.71 H new ATOM 111 N ARG A 8 8.901 -3.278 -5.995 1.00 0.89 N ATOM 112 CA ARG A 8 10.072 -4.152 -5.690 1.00 1.39 C ATOM 113 C ARG A 8 10.816 -3.593 -4.472 1.00 1.86 C ATOM 114 O ARG A 8 10.912 -2.392 -4.249 1.00 2.81 O ATOM 115 CB ARG A 8 11.020 -4.329 -6.906 1.00 1.60 C ATOM 116 CG ARG A 8 11.708 -3.023 -7.326 1.00 2.29 C ATOM 117 CD ARG A 8 12.841 -3.312 -8.325 1.00 2.59 C ATOM 118 NE ARG A 8 13.964 -4.018 -7.624 1.00 3.39 N ATOM 119 CZ ARG A 8 15.172 -3.532 -7.679 1.00 4.46 C ATOM 120 NH1 ARG A 8 15.525 -2.668 -6.780 1.00 5.45 N ATOM 121 NH2 ARG A 8 15.963 -3.920 -8.634 1.00 5.10 N ATOM 0 H ARG A 8 9.106 -2.291 -6.153 1.00 0.89 H new ATOM 0 HA ARG A 8 9.700 -5.150 -5.459 1.00 1.39 H new ATOM 0 HB2 ARG A 8 11.780 -5.071 -6.662 1.00 1.60 H new ATOM 0 HB3 ARG A 8 10.451 -4.721 -7.749 1.00 1.60 H new ATOM 0 HG2 ARG A 8 10.979 -2.349 -7.777 1.00 2.29 H new ATOM 0 HG3 ARG A 8 12.109 -2.517 -6.448 1.00 2.29 H new ATOM 0 HD2 ARG A 8 12.468 -3.926 -9.145 1.00 2.59 H new ATOM 0 HD3 ARG A 8 13.200 -2.380 -8.762 1.00 2.59 H new ATOM 0 HE ARG A 8 13.782 -4.877 -7.105 1.00 3.39 H new ATOM 0 HH11 ARG A 8 14.864 -2.386 -6.056 1.00 5.45 H new ATOM 0 HH12 ARG A 8 16.464 -2.270 -6.796 1.00 5.45 H new ATOM 0 HH21 ARG A 8 15.635 -4.595 -9.325 1.00 5.10 H new ATOM 0 HH22 ARG A 8 16.912 -3.550 -8.692 1.00 5.10 H new ATOM 135 N SER A 9 11.292 -4.510 -3.698 1.00 2.13 N ATOM 136 CA SER A 9 12.040 -4.184 -2.464 1.00 2.58 C ATOM 137 C SER A 9 13.337 -3.466 -2.844 1.00 2.44 C ATOM 138 O SER A 9 14.398 -4.053 -2.871 1.00 2.95 O ATOM 139 CB SER A 9 12.329 -5.509 -1.754 1.00 3.25 C ATOM 140 OG SER A 9 11.041 -6.120 -1.632 1.00 4.19 O ATOM 0 H SER A 9 11.191 -5.509 -3.875 1.00 2.13 H new ATOM 0 HA SER A 9 11.474 -3.526 -1.804 1.00 2.58 H new ATOM 0 HB2 SER A 9 13.013 -6.131 -2.331 1.00 3.25 H new ATOM 0 HB3 SER A 9 12.789 -5.348 -0.779 1.00 3.25 H new ATOM 0 HG SER A 9 10.829 -6.605 -2.457 1.00 4.19 H new ATOM 146 N GLY A 10 13.204 -2.212 -3.179 1.00 2.44 N ATOM 147 CA GLY A 10 14.398 -1.411 -3.576 1.00 2.54 C ATOM 148 C GLY A 10 14.035 -0.294 -4.562 1.00 2.29 C ATOM 149 O GLY A 10 14.913 0.234 -5.219 1.00 2.59 O ATOM 0 H GLY A 10 12.319 -1.706 -3.195 1.00 2.44 H new ATOM 0 HA2 GLY A 10 14.855 -0.976 -2.687 1.00 2.54 H new ATOM 0 HA3 GLY A 10 15.141 -2.067 -4.028 1.00 2.54 H new ATOM 153 N CYS A 11 12.758 -0.014 -4.707 1.00 2.01 N ATOM 154 CA CYS A 11 12.328 1.102 -5.610 1.00 1.95 C ATOM 155 C CYS A 11 11.559 2.138 -4.776 1.00 2.12 C ATOM 156 O CYS A 11 10.599 1.795 -4.114 1.00 2.38 O ATOM 157 CB CYS A 11 11.416 0.573 -6.720 1.00 1.75 C ATOM 158 SG CYS A 11 10.323 -0.808 -6.321 1.00 1.71 S ATOM 0 H CYS A 11 11.999 -0.509 -4.240 1.00 2.01 H new ATOM 0 HA CYS A 11 13.208 1.554 -6.067 1.00 1.95 H new ATOM 0 HB2 CYS A 11 10.798 1.400 -7.069 1.00 1.75 H new ATOM 0 HB3 CYS A 11 12.046 0.271 -7.557 1.00 1.75 H new ATOM 163 N PRO A 12 11.993 3.387 -4.818 1.00 2.30 N ATOM 164 CA PRO A 12 11.470 4.441 -3.916 1.00 2.45 C ATOM 165 C PRO A 12 9.948 4.347 -3.743 1.00 2.34 C ATOM 166 O PRO A 12 9.465 4.096 -2.666 1.00 2.48 O ATOM 167 CB PRO A 12 11.900 5.752 -4.589 1.00 2.98 C ATOM 168 CG PRO A 12 13.123 5.391 -5.464 1.00 2.86 C ATOM 169 CD PRO A 12 12.998 3.892 -5.793 1.00 2.59 C ATOM 0 HA PRO A 12 11.860 4.352 -2.902 1.00 2.45 H new ATOM 0 HB2 PRO A 12 11.093 6.164 -5.195 1.00 2.98 H new ATOM 0 HB3 PRO A 12 12.159 6.507 -3.847 1.00 2.98 H new ATOM 0 HG2 PRO A 12 13.138 5.988 -6.376 1.00 2.86 H new ATOM 0 HG3 PRO A 12 14.053 5.596 -4.934 1.00 2.86 H new ATOM 0 HD2 PRO A 12 12.670 3.736 -6.821 1.00 2.59 H new ATOM 0 HD3 PRO A 12 13.953 3.379 -5.682 1.00 2.59 H new ATOM 177 N TYR A 13 9.231 4.549 -4.814 1.00 2.42 N ATOM 178 CA TYR A 13 7.737 4.479 -4.737 1.00 2.51 C ATOM 179 C TYR A 13 7.244 3.239 -3.978 1.00 2.16 C ATOM 180 O TYR A 13 6.314 3.337 -3.200 1.00 2.28 O ATOM 181 CB TYR A 13 7.160 4.459 -6.154 1.00 2.83 C ATOM 182 CG TYR A 13 7.402 5.815 -6.826 1.00 1.88 C ATOM 183 CD1 TYR A 13 6.684 6.918 -6.418 1.00 1.85 C ATOM 184 CD2 TYR A 13 8.319 5.958 -7.849 1.00 2.58 C ATOM 185 CE1 TYR A 13 6.870 8.143 -7.016 1.00 2.08 C ATOM 186 CE2 TYR A 13 8.508 7.189 -8.449 1.00 2.90 C ATOM 187 CZ TYR A 13 7.782 8.289 -8.036 1.00 2.49 C ATOM 188 OH TYR A 13 7.963 9.508 -8.651 1.00 3.55 O ATOM 0 H TYR A 13 9.609 4.759 -5.738 1.00 2.42 H new ATOM 0 HA TYR A 13 7.397 5.358 -4.189 1.00 2.51 H new ATOM 0 HB2 TYR A 13 7.627 3.665 -6.736 1.00 2.83 H new ATOM 0 HB3 TYR A 13 6.092 4.244 -6.120 1.00 2.83 H new ATOM 0 HD1 TYR A 13 5.965 6.820 -5.618 1.00 1.85 H new ATOM 0 HD2 TYR A 13 8.891 5.104 -8.182 1.00 2.58 H new ATOM 0 HE1 TYR A 13 6.297 8.995 -6.683 1.00 2.08 H new ATOM 0 HE2 TYR A 13 9.229 7.291 -9.247 1.00 2.90 H new ATOM 0 HH TYR A 13 8.647 9.425 -9.348 1.00 3.55 H new ATOM 198 N CYS A 14 7.905 2.135 -4.183 1.00 1.82 N ATOM 199 CA CYS A 14 7.488 0.872 -3.516 1.00 1.59 C ATOM 200 C CYS A 14 7.897 0.919 -2.044 1.00 1.22 C ATOM 201 O CYS A 14 7.074 0.814 -1.147 1.00 1.26 O ATOM 202 CB CYS A 14 8.195 -0.277 -4.242 1.00 1.42 C ATOM 203 SG CYS A 14 8.471 -0.070 -6.022 1.00 2.18 S ATOM 0 H CYS A 14 8.722 2.053 -4.788 1.00 1.82 H new ATOM 0 HA CYS A 14 6.408 0.733 -3.560 1.00 1.59 H new ATOM 0 HB2 CYS A 14 9.162 -0.437 -3.764 1.00 1.42 H new ATOM 0 HB3 CYS A 14 7.611 -1.185 -4.092 1.00 1.42 H new ATOM 208 N VAL A 15 9.176 1.094 -1.853 1.00 1.03 N ATOM 209 CA VAL A 15 9.737 1.180 -0.476 1.00 0.77 C ATOM 210 C VAL A 15 8.877 2.139 0.348 1.00 0.84 C ATOM 211 O VAL A 15 8.578 1.890 1.500 1.00 0.99 O ATOM 212 CB VAL A 15 11.177 1.699 -0.553 1.00 0.82 C ATOM 213 CG1 VAL A 15 11.770 1.837 0.856 1.00 0.95 C ATOM 214 CG2 VAL A 15 12.015 0.688 -1.342 1.00 1.00 C ATOM 0 H VAL A 15 9.863 1.182 -2.601 1.00 1.03 H new ATOM 0 HA VAL A 15 9.736 0.197 -0.004 1.00 0.77 H new ATOM 0 HB VAL A 15 11.184 2.674 -1.039 1.00 0.82 H new ATOM 0 HG11 VAL A 15 12.793 2.207 0.786 1.00 0.95 H new ATOM 0 HG12 VAL A 15 11.170 2.538 1.436 1.00 0.95 H new ATOM 0 HG13 VAL A 15 11.769 0.864 1.348 1.00 0.95 H new ATOM 0 HG21 VAL A 15 13.044 1.041 -1.407 1.00 1.00 H new ATOM 0 HG22 VAL A 15 11.994 -0.277 -0.835 1.00 1.00 H new ATOM 0 HG23 VAL A 15 11.604 0.580 -2.346 1.00 1.00 H new ATOM 224 N ARG A 16 8.496 3.234 -0.272 1.00 0.96 N ATOM 225 CA ARG A 16 7.662 4.231 0.428 1.00 1.08 C ATOM 226 C ARG A 16 6.262 3.664 0.637 1.00 1.15 C ATOM 227 O ARG A 16 5.839 3.561 1.751 1.00 1.83 O ATOM 228 CB ARG A 16 7.571 5.512 -0.409 1.00 1.16 C ATOM 229 CG ARG A 16 7.475 6.736 0.517 1.00 2.06 C ATOM 230 CD ARG A 16 6.432 6.514 1.640 1.00 3.29 C ATOM 231 NE ARG A 16 6.313 7.739 2.493 1.00 3.17 N ATOM 232 CZ ARG A 16 5.168 8.021 3.041 1.00 4.18 C ATOM 233 NH1 ARG A 16 4.892 7.487 4.189 1.00 4.75 N ATOM 234 NH2 ARG A 16 4.341 8.807 2.424 1.00 5.28 N ATOM 0 H ARG A 16 8.734 3.469 -1.236 1.00 0.96 H new ATOM 0 HA ARG A 16 8.113 4.462 1.393 1.00 1.08 H new ATOM 0 HB2 ARG A 16 8.447 5.599 -1.052 1.00 1.16 H new ATOM 0 HB3 ARG A 16 6.699 5.469 -1.062 1.00 1.16 H new ATOM 0 HG2 ARG A 16 8.451 6.937 0.959 1.00 2.06 H new ATOM 0 HG3 ARG A 16 7.202 7.615 -0.067 1.00 2.06 H new ATOM 0 HD2 ARG A 16 5.463 6.273 1.203 1.00 3.29 H new ATOM 0 HD3 ARG A 16 6.725 5.663 2.254 1.00 3.29 H new ATOM 0 HE ARG A 16 7.120 8.345 2.642 1.00 3.17 H new ATOM 0 HH11 ARG A 16 5.565 6.865 4.637 1.00 4.75 H new ATOM 0 HH12 ARG A 16 4.002 7.689 4.645 1.00 4.75 H new ATOM 0 HH21 ARG A 16 4.591 9.199 1.516 1.00 5.28 H new ATOM 0 HH22 ARG A 16 3.441 9.033 2.847 1.00 5.28 H new ATOM 248 N ALA A 17 5.558 3.351 -0.428 1.00 0.81 N ATOM 249 CA ALA A 17 4.182 2.772 -0.260 1.00 0.82 C ATOM 250 C ALA A 17 4.201 1.778 0.905 1.00 0.87 C ATOM 251 O ALA A 17 3.326 1.762 1.746 1.00 0.97 O ATOM 252 CB ALA A 17 3.784 2.058 -1.547 1.00 0.81 C ATOM 0 H ALA A 17 5.870 3.469 -1.392 1.00 0.81 H new ATOM 0 HA ALA A 17 3.461 3.562 -0.049 1.00 0.82 H new ATOM 0 HB1 ALA A 17 2.786 1.634 -1.434 1.00 0.81 H new ATOM 0 HB2 ALA A 17 3.785 2.769 -2.373 1.00 0.81 H new ATOM 0 HB3 ALA A 17 4.496 1.259 -1.755 1.00 0.81 H new ATOM 258 N LYS A 18 5.240 0.987 0.922 1.00 0.83 N ATOM 259 CA LYS A 18 5.428 -0.013 1.992 1.00 0.89 C ATOM 260 C LYS A 18 5.505 0.750 3.324 1.00 0.91 C ATOM 261 O LYS A 18 4.740 0.475 4.220 1.00 0.99 O ATOM 262 CB LYS A 18 6.722 -0.773 1.653 1.00 0.91 C ATOM 263 CG LYS A 18 7.062 -1.827 2.709 1.00 1.36 C ATOM 264 CD LYS A 18 7.736 -1.151 3.907 1.00 1.61 C ATOM 265 CE LYS A 18 8.421 -2.227 4.763 1.00 2.06 C ATOM 266 NZ LYS A 18 9.011 -1.655 6.008 1.00 2.21 N ATOM 0 H LYS A 18 5.979 0.999 0.219 1.00 0.83 H new ATOM 0 HA LYS A 18 4.616 -0.735 2.075 1.00 0.89 H new ATOM 0 HB2 LYS A 18 6.615 -1.255 0.681 1.00 0.91 H new ATOM 0 HB3 LYS A 18 7.547 -0.065 1.569 1.00 0.91 H new ATOM 0 HG2 LYS A 18 6.156 -2.341 3.030 1.00 1.36 H new ATOM 0 HG3 LYS A 18 7.723 -2.582 2.285 1.00 1.36 H new ATOM 0 HD2 LYS A 18 8.468 -0.419 3.565 1.00 1.61 H new ATOM 0 HD3 LYS A 18 6.998 -0.611 4.500 1.00 1.61 H new ATOM 0 HE2 LYS A 18 7.696 -2.998 5.026 1.00 2.06 H new ATOM 0 HE3 LYS A 18 9.204 -2.711 4.179 1.00 2.06 H new ATOM 0 HZ1 LYS A 18 9.125 -2.408 6.716 1.00 2.21 H new ATOM 0 HZ2 LYS A 18 9.940 -1.239 5.793 1.00 2.21 H new ATOM 0 HZ3 LYS A 18 8.381 -0.918 6.384 1.00 2.21 H new ATOM 280 N ASP A 19 6.452 1.655 3.435 1.00 0.90 N ATOM 281 CA ASP A 19 6.560 2.471 4.686 1.00 0.95 C ATOM 282 C ASP A 19 5.182 3.034 5.055 1.00 0.87 C ATOM 283 O ASP A 19 4.749 2.902 6.163 1.00 0.94 O ATOM 284 CB ASP A 19 7.530 3.641 4.470 1.00 1.00 C ATOM 285 CG ASP A 19 7.350 4.653 5.609 1.00 2.26 C ATOM 286 OD1 ASP A 19 7.793 4.339 6.703 1.00 3.62 O ATOM 287 OD2 ASP A 19 6.713 5.654 5.321 1.00 3.26 O ATOM 0 H ASP A 19 7.148 1.861 2.719 1.00 0.90 H new ATOM 0 HA ASP A 19 6.930 1.833 5.489 1.00 0.95 H new ATOM 0 HB2 ASP A 19 8.558 3.279 4.446 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.338 4.117 3.509 1.00 1.00 H new ATOM 292 N LEU A 20 4.538 3.664 4.106 1.00 0.76 N ATOM 293 CA LEU A 20 3.185 4.248 4.365 1.00 0.70 C ATOM 294 C LEU A 20 2.277 3.161 4.969 1.00 0.68 C ATOM 295 O LEU A 20 1.697 3.349 6.016 1.00 0.72 O ATOM 296 CB LEU A 20 2.619 4.789 3.033 1.00 0.70 C ATOM 297 CG LEU A 20 1.264 5.513 3.222 1.00 0.64 C ATOM 298 CD1 LEU A 20 1.400 6.689 4.203 1.00 0.81 C ATOM 299 CD2 LEU A 20 0.805 6.085 1.871 1.00 0.84 C ATOM 0 H LEU A 20 4.891 3.800 3.159 1.00 0.76 H new ATOM 0 HA LEU A 20 3.242 5.073 5.076 1.00 0.70 H new ATOM 0 HB2 LEU A 20 3.338 5.478 2.588 1.00 0.70 H new ATOM 0 HB3 LEU A 20 2.493 3.964 2.332 1.00 0.70 H new ATOM 0 HG LEU A 20 0.547 4.791 3.613 1.00 0.64 H new ATOM 0 HD11 LEU A 20 0.434 7.181 4.318 1.00 0.81 H new ATOM 0 HD12 LEU A 20 1.736 6.318 5.171 1.00 0.81 H new ATOM 0 HD13 LEU A 20 2.127 7.403 3.816 1.00 0.81 H new ATOM 0 HD21 LEU A 20 -0.149 6.596 1.998 1.00 0.84 H new ATOM 0 HD22 LEU A 20 1.549 6.791 1.503 1.00 0.84 H new ATOM 0 HD23 LEU A 20 0.689 5.273 1.153 1.00 0.84 H new ATOM 311 N ALA A 21 2.170 2.045 4.303 1.00 0.67 N ATOM 312 CA ALA A 21 1.321 0.947 4.850 1.00 0.69 C ATOM 313 C ALA A 21 1.785 0.600 6.273 1.00 0.72 C ATOM 314 O ALA A 21 1.014 0.665 7.222 1.00 0.65 O ATOM 315 CB ALA A 21 1.450 -0.289 3.948 1.00 0.77 C ATOM 0 H ALA A 21 2.628 1.846 3.413 1.00 0.67 H new ATOM 0 HA ALA A 21 0.280 1.268 4.880 1.00 0.69 H new ATOM 0 HB1 ALA A 21 0.831 -1.094 4.344 1.00 0.77 H new ATOM 0 HB2 ALA A 21 1.120 -0.040 2.940 1.00 0.77 H new ATOM 0 HB3 ALA A 21 2.491 -0.612 3.920 1.00 0.77 H new ATOM 321 N GLU A 22 3.040 0.255 6.379 1.00 0.90 N ATOM 322 CA GLU A 22 3.628 -0.118 7.699 1.00 1.00 C ATOM 323 C GLU A 22 3.343 0.963 8.753 1.00 0.90 C ATOM 324 O GLU A 22 3.089 0.668 9.906 1.00 0.93 O ATOM 325 CB GLU A 22 5.132 -0.301 7.486 1.00 1.28 C ATOM 326 CG GLU A 22 5.692 -1.242 8.548 1.00 1.64 C ATOM 327 CD GLU A 22 7.027 -1.788 8.068 1.00 1.82 C ATOM 328 OE1 GLU A 22 8.001 -1.077 8.233 1.00 2.12 O ATOM 329 OE2 GLU A 22 7.008 -2.865 7.485 1.00 3.06 O ATOM 0 H GLU A 22 3.692 0.215 5.596 1.00 0.90 H new ATOM 0 HA GLU A 22 3.182 -1.040 8.072 1.00 1.00 H new ATOM 0 HB2 GLU A 22 5.321 -0.706 6.492 1.00 1.28 H new ATOM 0 HB3 GLU A 22 5.636 0.664 7.539 1.00 1.28 H new ATOM 0 HG2 GLU A 22 5.819 -0.712 9.492 1.00 1.64 H new ATOM 0 HG3 GLU A 22 4.995 -2.059 8.733 1.00 1.64 H new ATOM 336 N LYS A 23 3.443 2.189 8.336 1.00 0.95 N ATOM 337 CA LYS A 23 3.177 3.343 9.230 1.00 0.96 C ATOM 338 C LYS A 23 1.737 3.238 9.705 1.00 0.83 C ATOM 339 O LYS A 23 1.475 3.112 10.887 1.00 1.02 O ATOM 340 CB LYS A 23 3.398 4.623 8.396 1.00 1.11 C ATOM 341 CG LYS A 23 2.912 5.908 9.092 1.00 1.40 C ATOM 342 CD LYS A 23 3.910 6.360 10.170 1.00 2.12 C ATOM 343 CE LYS A 23 3.669 7.844 10.476 1.00 3.01 C ATOM 344 NZ LYS A 23 2.265 8.063 10.940 1.00 3.54 N ATOM 0 H LYS A 23 3.706 2.446 7.385 1.00 0.95 H new ATOM 0 HA LYS A 23 3.832 3.361 10.101 1.00 0.96 H new ATOM 0 HB2 LYS A 23 4.460 4.721 8.172 1.00 1.11 H new ATOM 0 HB3 LYS A 23 2.880 4.519 7.443 1.00 1.11 H new ATOM 0 HG2 LYS A 23 2.785 6.700 8.354 1.00 1.40 H new ATOM 0 HG3 LYS A 23 1.936 5.734 9.545 1.00 1.40 H new ATOM 0 HD2 LYS A 23 3.785 5.763 11.074 1.00 2.12 H new ATOM 0 HD3 LYS A 23 4.933 6.207 9.825 1.00 2.12 H new ATOM 0 HE2 LYS A 23 4.368 8.181 11.242 1.00 3.01 H new ATOM 0 HE3 LYS A 23 3.861 8.441 9.584 1.00 3.01 H new ATOM 0 HZ1 LYS A 23 2.079 9.084 11.012 1.00 3.54 H new ATOM 0 HZ2 LYS A 23 1.604 7.638 10.259 1.00 3.54 H new ATOM 0 HZ3 LYS A 23 2.134 7.620 11.872 1.00 3.54 H new ATOM 358 N LEU A 24 0.831 3.260 8.764 1.00 0.64 N ATOM 359 CA LEU A 24 -0.612 3.178 9.139 1.00 0.59 C ATOM 360 C LEU A 24 -0.866 2.065 10.149 1.00 0.55 C ATOM 361 O LEU A 24 -1.486 2.295 11.165 1.00 0.63 O ATOM 362 CB LEU A 24 -1.447 2.932 7.885 1.00 0.58 C ATOM 363 CG LEU A 24 -1.554 4.231 7.086 1.00 0.77 C ATOM 364 CD1 LEU A 24 -2.146 3.901 5.716 1.00 0.83 C ATOM 365 CD2 LEU A 24 -2.483 5.211 7.829 1.00 1.07 C ATOM 0 H LEU A 24 1.023 3.330 7.765 1.00 0.64 H new ATOM 0 HA LEU A 24 -0.897 4.123 9.602 1.00 0.59 H new ATOM 0 HB2 LEU A 24 -0.988 2.154 7.276 1.00 0.58 H new ATOM 0 HB3 LEU A 24 -2.441 2.578 8.160 1.00 0.58 H new ATOM 0 HG LEU A 24 -0.572 4.690 6.970 1.00 0.77 H new ATOM 0 HD11 LEU A 24 -2.232 4.814 5.127 1.00 0.83 H new ATOM 0 HD12 LEU A 24 -1.495 3.196 5.199 1.00 0.83 H new ATOM 0 HD13 LEU A 24 -3.133 3.457 5.844 1.00 0.83 H new ATOM 0 HD21 LEU A 24 -2.562 6.139 7.262 1.00 1.07 H new ATOM 0 HD22 LEU A 24 -3.472 4.765 7.935 1.00 1.07 H new ATOM 0 HD23 LEU A 24 -2.073 5.423 8.817 1.00 1.07 H new ATOM 377 N SER A 25 -0.411 0.890 9.824 1.00 0.55 N ATOM 378 CA SER A 25 -0.584 -0.294 10.726 1.00 0.60 C ATOM 379 C SER A 25 -0.395 0.015 12.215 1.00 0.81 C ATOM 380 O SER A 25 -0.897 -0.710 13.049 1.00 0.98 O ATOM 381 CB SER A 25 0.435 -1.355 10.319 1.00 0.69 C ATOM 382 OG SER A 25 0.067 -1.669 8.988 1.00 1.43 O ATOM 0 H SER A 25 0.084 0.690 8.955 1.00 0.55 H new ATOM 0 HA SER A 25 -1.614 -0.631 10.609 1.00 0.60 H new ATOM 0 HB2 SER A 25 1.455 -0.975 10.375 1.00 0.69 H new ATOM 0 HB3 SER A 25 0.385 -2.230 10.967 1.00 0.69 H new ATOM 0 HG SER A 25 0.785 -2.182 8.562 1.00 1.43 H new ATOM 388 N ASN A 26 0.341 1.044 12.512 1.00 0.92 N ATOM 389 CA ASN A 26 0.595 1.395 13.931 1.00 1.16 C ATOM 390 C ASN A 26 0.059 2.788 14.278 1.00 1.16 C ATOM 391 O ASN A 26 -0.329 3.026 15.406 1.00 1.66 O ATOM 392 CB ASN A 26 2.105 1.314 14.125 1.00 1.35 C ATOM 393 CG ASN A 26 2.537 -0.134 13.863 1.00 2.19 C ATOM 394 OD1 ASN A 26 2.489 -0.969 14.740 1.00 2.71 O ATOM 395 ND2 ASN A 26 2.933 -0.503 12.676 1.00 3.28 N ATOM 0 H ASN A 26 0.780 1.661 11.828 1.00 0.92 H new ATOM 0 HA ASN A 26 0.075 0.709 14.599 1.00 1.16 H new ATOM 0 HB2 ASN A 26 2.614 1.994 13.442 1.00 1.35 H new ATOM 0 HB3 ASN A 26 2.376 1.616 15.137 1.00 1.35 H new ATOM 0 HD21 ASN A 26 3.193 -1.474 12.504 1.00 3.28 H new ATOM 0 HD22 ASN A 26 2.983 0.180 11.920 1.00 3.28 H new ATOM 402 N GLU A 27 0.052 3.673 13.313 1.00 1.20 N ATOM 403 CA GLU A 27 -0.456 5.058 13.573 1.00 1.49 C ATOM 404 C GLU A 27 -1.993 5.104 13.523 1.00 1.68 C ATOM 405 O GLU A 27 -2.615 6.038 14.003 1.00 2.17 O ATOM 406 CB GLU A 27 0.115 5.997 12.498 1.00 1.71 C ATOM 407 CG GLU A 27 -0.431 5.645 11.121 1.00 2.45 C ATOM 408 CD GLU A 27 -0.864 6.918 10.393 1.00 2.76 C ATOM 409 OE1 GLU A 27 0.035 7.544 9.841 1.00 3.05 O ATOM 410 OE2 GLU A 27 -2.059 7.192 10.456 1.00 3.77 O ATOM 0 H GLU A 27 0.374 3.499 12.361 1.00 1.20 H new ATOM 0 HA GLU A 27 -0.139 5.370 14.568 1.00 1.49 H new ATOM 0 HB2 GLU A 27 -0.137 7.029 12.740 1.00 1.71 H new ATOM 0 HB3 GLU A 27 1.203 5.928 12.490 1.00 1.71 H new ATOM 0 HG2 GLU A 27 0.330 5.124 10.540 1.00 2.45 H new ATOM 0 HG3 GLU A 27 -1.278 4.965 11.218 1.00 2.45 H new ATOM 417 N ARG A 28 -2.547 4.107 12.892 1.00 1.48 N ATOM 418 CA ARG A 28 -4.021 4.008 12.743 1.00 1.68 C ATOM 419 C ARG A 28 -4.516 2.812 13.580 1.00 1.71 C ATOM 420 O ARG A 28 -3.840 2.444 14.521 1.00 2.28 O ATOM 421 CB ARG A 28 -4.309 3.860 11.229 1.00 1.69 C ATOM 422 CG ARG A 28 -5.675 4.461 10.812 1.00 1.60 C ATOM 423 CD ARG A 28 -5.921 5.853 11.438 1.00 2.06 C ATOM 424 NE ARG A 28 -4.840 6.842 11.083 1.00 3.06 N ATOM 425 CZ ARG A 28 -5.151 8.103 10.956 1.00 3.99 C ATOM 426 NH1 ARG A 28 -5.969 8.462 10.028 1.00 4.48 N ATOM 427 NH2 ARG A 28 -4.650 8.967 11.780 1.00 5.06 N ATOM 0 H ARG A 28 -2.026 3.341 12.465 1.00 1.48 H new ATOM 0 HA ARG A 28 -4.551 4.887 13.108 1.00 1.68 H new ATOM 0 HB2 ARG A 28 -3.515 4.349 10.664 1.00 1.69 H new ATOM 0 HB3 ARG A 28 -4.286 2.804 10.962 1.00 1.69 H new ATOM 0 HG2 ARG A 28 -5.717 4.541 9.726 1.00 1.60 H new ATOM 0 HG3 ARG A 28 -6.474 3.784 11.113 1.00 1.60 H new ATOM 0 HD2 ARG A 28 -6.884 6.235 11.100 1.00 2.06 H new ATOM 0 HD3 ARG A 28 -5.979 5.756 12.522 1.00 2.06 H new ATOM 0 HE ARG A 28 -3.879 6.530 10.944 1.00 3.06 H new ATOM 0 HH11 ARG A 28 -6.367 7.763 9.401 1.00 4.48 H new ATOM 0 HH12 ARG A 28 -6.219 9.445 9.920 1.00 4.48 H new ATOM 0 HH21 ARG A 28 -4.019 8.660 12.520 1.00 5.06 H new ATOM 0 HH22 ARG A 28 -4.887 9.955 11.689 1.00 5.06 H new ATOM 441 N ASP A 29 -5.645 2.220 13.234 1.00 1.85 N ATOM 442 CA ASP A 29 -6.168 1.082 14.066 1.00 2.06 C ATOM 443 C ASP A 29 -6.218 -0.270 13.321 1.00 1.53 C ATOM 444 O ASP A 29 -5.304 -1.065 13.435 1.00 1.97 O ATOM 445 CB ASP A 29 -7.583 1.469 14.543 1.00 2.75 C ATOM 446 CG ASP A 29 -8.045 0.601 15.722 1.00 3.05 C ATOM 447 OD1 ASP A 29 -7.231 -0.155 16.236 1.00 3.64 O ATOM 448 OD2 ASP A 29 -9.194 0.780 16.079 1.00 4.01 O ATOM 0 H ASP A 29 -6.215 2.471 12.427 1.00 1.85 H new ATOM 0 HA ASP A 29 -5.479 0.931 14.897 1.00 2.06 H new ATOM 0 HB2 ASP A 29 -7.593 2.518 14.838 1.00 2.75 H new ATOM 0 HB3 ASP A 29 -8.286 1.364 13.717 1.00 2.75 H new ATOM 453 N ASP A 30 -7.222 -0.472 12.497 1.00 1.27 N ATOM 454 CA ASP A 30 -7.345 -1.786 11.787 1.00 1.06 C ATOM 455 C ASP A 30 -6.687 -1.727 10.405 1.00 0.98 C ATOM 456 O ASP A 30 -7.308 -1.974 9.393 1.00 1.63 O ATOM 457 CB ASP A 30 -8.846 -2.138 11.650 1.00 1.50 C ATOM 458 CG ASP A 30 -9.547 -1.225 10.632 1.00 2.33 C ATOM 459 OD1 ASP A 30 -9.410 -0.021 10.789 1.00 3.46 O ATOM 460 OD2 ASP A 30 -10.177 -1.789 9.743 1.00 2.88 O ATOM 0 H ASP A 30 -7.953 0.208 12.288 1.00 1.27 H new ATOM 0 HA ASP A 30 -6.833 -2.555 12.365 1.00 1.06 H new ATOM 0 HB2 ASP A 30 -8.950 -3.178 11.340 1.00 1.50 H new ATOM 0 HB3 ASP A 30 -9.333 -2.044 12.621 1.00 1.50 H new ATOM 465 N PHE A 31 -5.413 -1.465 10.391 1.00 0.84 N ATOM 466 CA PHE A 31 -4.709 -1.371 9.076 1.00 0.66 C ATOM 467 C PHE A 31 -3.640 -2.458 8.916 1.00 0.61 C ATOM 468 O PHE A 31 -2.540 -2.338 9.423 1.00 0.71 O ATOM 469 CB PHE A 31 -4.078 0.024 8.957 1.00 0.61 C ATOM 470 CG PHE A 31 -3.633 0.261 7.511 1.00 0.52 C ATOM 471 CD1 PHE A 31 -2.436 -0.254 7.041 1.00 0.56 C ATOM 472 CD2 PHE A 31 -4.447 0.967 6.642 1.00 0.75 C ATOM 473 CE1 PHE A 31 -2.066 -0.068 5.729 1.00 0.73 C ATOM 474 CE2 PHE A 31 -4.073 1.150 5.329 1.00 0.90 C ATOM 475 CZ PHE A 31 -2.883 0.633 4.874 1.00 0.84 C ATOM 0 H PHE A 31 -4.832 -1.313 11.216 1.00 0.84 H new ATOM 0 HA PHE A 31 -5.436 -1.527 8.279 1.00 0.66 H new ATOM 0 HB2 PHE A 31 -4.796 0.787 9.257 1.00 0.61 H new ATOM 0 HB3 PHE A 31 -3.225 0.107 9.630 1.00 0.61 H new ATOM 0 HD1 PHE A 31 -1.790 -0.805 7.708 1.00 0.56 H new ATOM 0 HD2 PHE A 31 -5.381 1.377 6.996 1.00 0.75 H new ATOM 0 HE1 PHE A 31 -1.132 -0.474 5.370 1.00 0.73 H new ATOM 0 HE2 PHE A 31 -4.715 1.700 4.657 1.00 0.90 H new ATOM 0 HZ PHE A 31 -2.590 0.778 3.845 1.00 0.84 H new ATOM 485 N GLN A 32 -3.984 -3.490 8.203 1.00 0.67 N ATOM 486 CA GLN A 32 -3.013 -4.593 7.959 1.00 0.69 C ATOM 487 C GLN A 32 -2.526 -4.457 6.520 1.00 0.69 C ATOM 488 O GLN A 32 -3.135 -3.761 5.730 1.00 1.17 O ATOM 489 CB GLN A 32 -3.722 -5.944 8.136 1.00 0.81 C ATOM 490 CG GLN A 32 -4.034 -6.179 9.621 1.00 1.04 C ATOM 491 CD GLN A 32 -2.716 -6.358 10.376 1.00 2.55 C ATOM 492 OE1 GLN A 32 -2.085 -7.389 10.315 1.00 3.63 O ATOM 493 NE2 GLN A 32 -2.243 -5.371 11.067 1.00 3.68 N ATOM 0 H GLN A 32 -4.901 -3.620 7.775 1.00 0.67 H new ATOM 0 HA GLN A 32 -2.178 -4.540 8.658 1.00 0.69 H new ATOM 0 HB2 GLN A 32 -4.644 -5.960 7.555 1.00 0.81 H new ATOM 0 HB3 GLN A 32 -3.092 -6.748 7.756 1.00 0.81 H new ATOM 0 HG2 GLN A 32 -4.591 -5.335 10.028 1.00 1.04 H new ATOM 0 HG3 GLN A 32 -4.661 -7.063 9.740 1.00 1.04 H new ATOM 0 HE21 GLN A 32 -2.763 -4.496 11.128 1.00 3.68 H new ATOM 0 HE22 GLN A 32 -1.350 -5.469 11.551 1.00 3.68 H new ATOM 502 N TYR A 33 -1.434 -5.069 6.193 1.00 0.70 N ATOM 503 CA TYR A 33 -0.952 -4.961 4.793 1.00 0.68 C ATOM 504 C TYR A 33 -0.010 -6.113 4.498 1.00 0.75 C ATOM 505 O TYR A 33 0.438 -6.794 5.396 1.00 0.93 O ATOM 506 CB TYR A 33 -0.228 -3.618 4.596 1.00 0.68 C ATOM 507 CG TYR A 33 1.086 -3.636 5.368 1.00 0.75 C ATOM 508 CD1 TYR A 33 2.234 -4.149 4.794 1.00 1.09 C ATOM 509 CD2 TYR A 33 1.109 -3.245 6.685 1.00 0.77 C ATOM 510 CE1 TYR A 33 3.382 -4.284 5.544 1.00 1.36 C ATOM 511 CE2 TYR A 33 2.250 -3.379 7.432 1.00 1.04 C ATOM 512 CZ TYR A 33 3.392 -3.908 6.873 1.00 1.31 C ATOM 513 OH TYR A 33 4.487 -4.149 7.664 1.00 1.73 O ATOM 0 H TYR A 33 -0.859 -5.632 6.820 1.00 0.70 H new ATOM 0 HA TYR A 33 -1.799 -5.006 4.108 1.00 0.68 H new ATOM 0 HB2 TYR A 33 -0.038 -3.446 3.537 1.00 0.68 H new ATOM 0 HB3 TYR A 33 -0.857 -2.798 4.944 1.00 0.68 H new ATOM 0 HD1 TYR A 33 2.231 -4.445 3.755 1.00 1.09 H new ATOM 0 HD2 TYR A 33 0.220 -2.828 7.135 1.00 0.77 H new ATOM 0 HE1 TYR A 33 4.277 -4.685 5.091 1.00 1.36 H new ATOM 0 HE2 TYR A 33 2.254 -3.068 8.466 1.00 1.04 H new ATOM 0 HH TYR A 33 5.253 -3.639 7.327 1.00 1.73 H new ATOM 523 N GLN A 34 0.256 -6.282 3.244 1.00 0.65 N ATOM 524 CA GLN A 34 1.170 -7.349 2.778 1.00 0.73 C ATOM 525 C GLN A 34 2.031 -6.739 1.669 1.00 0.67 C ATOM 526 O GLN A 34 1.560 -5.900 0.912 1.00 0.64 O ATOM 527 CB GLN A 34 0.324 -8.516 2.238 1.00 0.81 C ATOM 528 CG GLN A 34 1.194 -9.748 1.947 1.00 1.19 C ATOM 529 CD GLN A 34 1.891 -10.196 3.232 1.00 2.10 C ATOM 530 OE1 GLN A 34 3.014 -9.822 3.491 1.00 2.96 O ATOM 531 NE2 GLN A 34 1.258 -10.963 4.071 1.00 3.35 N ATOM 0 H GLN A 34 -0.134 -5.707 2.497 1.00 0.65 H new ATOM 0 HA GLN A 34 1.806 -7.729 3.578 1.00 0.73 H new ATOM 0 HB2 GLN A 34 -0.447 -8.776 2.964 1.00 0.81 H new ATOM 0 HB3 GLN A 34 -0.188 -8.206 1.327 1.00 0.81 H new ATOM 0 HG2 GLN A 34 0.578 -10.557 1.554 1.00 1.19 H new ATOM 0 HG3 GLN A 34 1.934 -9.511 1.183 1.00 1.19 H new ATOM 0 HE21 GLN A 34 0.312 -11.281 3.858 1.00 3.35 H new ATOM 0 HE22 GLN A 34 1.707 -11.246 4.942 1.00 3.35 H new ATOM 540 N TYR A 35 3.254 -7.165 1.569 1.00 0.72 N ATOM 541 CA TYR A 35 4.109 -6.584 0.494 1.00 0.70 C ATOM 542 C TYR A 35 4.256 -7.623 -0.596 1.00 0.64 C ATOM 543 O TYR A 35 4.472 -8.784 -0.315 1.00 0.68 O ATOM 544 CB TYR A 35 5.494 -6.207 1.040 1.00 0.77 C ATOM 545 CG TYR A 35 6.287 -5.486 -0.068 1.00 0.78 C ATOM 546 CD1 TYR A 35 7.062 -6.199 -0.964 1.00 0.88 C ATOM 547 CD2 TYR A 35 6.207 -4.113 -0.213 1.00 0.90 C ATOM 548 CE1 TYR A 35 7.738 -5.556 -1.980 1.00 0.93 C ATOM 549 CE2 TYR A 35 6.888 -3.470 -1.231 1.00 0.97 C ATOM 550 CZ TYR A 35 7.657 -4.188 -2.122 1.00 0.92 C ATOM 551 OH TYR A 35 8.322 -3.559 -3.152 1.00 1.05 O ATOM 0 H TYR A 35 3.693 -7.869 2.163 1.00 0.72 H new ATOM 0 HA TYR A 35 3.645 -5.678 0.106 1.00 0.70 H new ATOM 0 HB2 TYR A 35 5.393 -5.561 1.912 1.00 0.77 H new ATOM 0 HB3 TYR A 35 6.027 -7.100 1.365 1.00 0.77 H new ATOM 0 HD1 TYR A 35 7.139 -7.272 -0.867 1.00 0.88 H new ATOM 0 HD2 TYR A 35 5.607 -3.537 0.476 1.00 0.90 H new ATOM 0 HE1 TYR A 35 8.337 -6.131 -2.671 1.00 0.93 H new ATOM 0 HE2 TYR A 35 6.817 -2.397 -1.329 1.00 0.97 H new ATOM 0 HH TYR A 35 8.710 -2.720 -2.827 1.00 1.05 H new ATOM 561 N VAL A 36 4.110 -7.192 -1.807 1.00 0.64 N ATOM 562 CA VAL A 36 4.237 -8.112 -2.955 1.00 0.60 C ATOM 563 C VAL A 36 5.397 -7.572 -3.798 1.00 0.55 C ATOM 564 O VAL A 36 5.554 -6.361 -3.900 1.00 0.62 O ATOM 565 CB VAL A 36 2.874 -8.104 -3.687 1.00 0.57 C ATOM 566 CG1 VAL A 36 3.061 -8.313 -5.196 1.00 0.51 C ATOM 567 CG2 VAL A 36 2.011 -9.250 -3.139 1.00 0.70 C ATOM 0 H VAL A 36 3.904 -6.224 -2.054 1.00 0.64 H new ATOM 0 HA VAL A 36 4.459 -9.147 -2.695 1.00 0.60 H new ATOM 0 HB VAL A 36 2.395 -7.139 -3.520 1.00 0.57 H new ATOM 0 HG11 VAL A 36 2.088 -8.303 -5.688 1.00 0.51 H new ATOM 0 HG12 VAL A 36 3.680 -7.512 -5.600 1.00 0.51 H new ATOM 0 HG13 VAL A 36 3.548 -9.272 -5.373 1.00 0.51 H new ATOM 0 HG21 VAL A 36 1.047 -9.255 -3.648 1.00 0.70 H new ATOM 0 HG22 VAL A 36 2.517 -10.200 -3.311 1.00 0.70 H new ATOM 0 HG23 VAL A 36 1.856 -9.109 -2.069 1.00 0.70 H new ATOM 577 N ASP A 37 6.165 -8.454 -4.384 1.00 0.52 N ATOM 578 CA ASP A 37 7.329 -7.988 -5.191 1.00 0.55 C ATOM 579 C ASP A 37 7.182 -8.387 -6.659 1.00 0.56 C ATOM 580 O ASP A 37 7.439 -9.524 -7.049 1.00 0.92 O ATOM 581 CB ASP A 37 8.622 -8.585 -4.642 1.00 0.63 C ATOM 582 CG ASP A 37 9.784 -7.701 -5.075 1.00 1.16 C ATOM 583 OD1 ASP A 37 10.025 -7.646 -6.273 1.00 1.54 O ATOM 584 OD2 ASP A 37 10.343 -7.080 -4.189 1.00 2.37 O ATOM 0 H ASP A 37 6.038 -9.465 -4.339 1.00 0.52 H new ATOM 0 HA ASP A 37 7.362 -6.901 -5.124 1.00 0.55 H new ATOM 0 HB2 ASP A 37 8.579 -8.648 -3.555 1.00 0.63 H new ATOM 0 HB3 ASP A 37 8.759 -9.600 -5.015 1.00 0.63 H new ATOM 589 N ILE A 38 6.800 -7.424 -7.454 1.00 0.71 N ATOM 590 CA ILE A 38 6.615 -7.687 -8.912 1.00 0.86 C ATOM 591 C ILE A 38 7.833 -8.393 -9.504 1.00 1.25 C ATOM 592 O ILE A 38 7.722 -9.062 -10.519 1.00 1.62 O ATOM 593 CB ILE A 38 6.367 -6.372 -9.664 1.00 1.15 C ATOM 594 CG1 ILE A 38 7.495 -5.394 -9.326 1.00 1.64 C ATOM 595 CG2 ILE A 38 5.017 -5.791 -9.230 1.00 1.08 C ATOM 596 CD1 ILE A 38 7.397 -4.132 -10.192 1.00 2.26 C ATOM 0 H ILE A 38 6.608 -6.467 -7.158 1.00 0.71 H new ATOM 0 HA ILE A 38 5.748 -8.338 -9.025 1.00 0.86 H new ATOM 0 HB ILE A 38 6.348 -6.547 -10.740 1.00 1.15 H new ATOM 0 HG12 ILE A 38 7.444 -5.122 -8.272 1.00 1.64 H new ATOM 0 HG13 ILE A 38 8.460 -5.876 -9.484 1.00 1.64 H new ATOM 0 HG21 ILE A 38 4.835 -4.857 -9.761 1.00 1.08 H new ATOM 0 HG22 ILE A 38 4.223 -6.501 -9.463 1.00 1.08 H new ATOM 0 HG23 ILE A 38 5.031 -5.602 -8.157 1.00 1.08 H new ATOM 0 HD11 ILE A 38 8.208 -3.451 -9.935 1.00 2.26 H new ATOM 0 HD12 ILE A 38 7.473 -4.406 -11.244 1.00 2.26 H new ATOM 0 HD13 ILE A 38 6.440 -3.641 -10.013 1.00 2.26 H new ATOM 608 N ARG A 39 8.978 -8.240 -8.879 1.00 1.37 N ATOM 609 CA ARG A 39 10.178 -8.920 -9.435 1.00 1.81 C ATOM 610 C ARG A 39 10.255 -10.329 -8.850 1.00 1.78 C ATOM 611 O ARG A 39 10.146 -11.291 -9.583 1.00 1.96 O ATOM 612 CB ARG A 39 11.458 -8.151 -9.070 1.00 2.07 C ATOM 613 CG ARG A 39 11.427 -6.712 -9.614 1.00 3.76 C ATOM 614 CD ARG A 39 11.400 -6.686 -11.156 1.00 4.76 C ATOM 615 NE ARG A 39 10.002 -6.938 -11.633 1.00 6.24 N ATOM 616 CZ ARG A 39 9.796 -7.524 -12.786 1.00 7.24 C ATOM 617 NH1 ARG A 39 10.255 -6.961 -13.870 1.00 8.42 N ATOM 618 NH2 ARG A 39 9.119 -8.628 -12.811 1.00 7.69 N ATOM 0 H ARG A 39 9.126 -7.689 -8.033 1.00 1.37 H new ATOM 0 HA ARG A 39 10.095 -8.958 -10.521 1.00 1.81 H new ATOM 0 HB2 ARG A 39 11.574 -8.129 -7.986 1.00 2.07 H new ATOM 0 HB3 ARG A 39 12.325 -8.674 -9.472 1.00 2.07 H new ATOM 0 HG2 ARG A 39 10.549 -6.195 -9.226 1.00 3.76 H new ATOM 0 HG3 ARG A 39 12.301 -6.169 -9.256 1.00 3.76 H new ATOM 0 HD2 ARG A 39 11.752 -5.721 -11.521 1.00 4.76 H new ATOM 0 HD3 ARG A 39 12.075 -7.443 -11.555 1.00 4.76 H new ATOM 0 HE ARG A 39 9.209 -6.653 -11.058 1.00 6.24 H new ATOM 0 HH11 ARG A 39 10.764 -6.079 -13.810 1.00 8.42 H new ATOM 0 HH12 ARG A 39 10.104 -7.403 -14.777 1.00 8.42 H new ATOM 0 HH21 ARG A 39 8.758 -9.025 -11.943 1.00 7.69 H new ATOM 0 HH22 ARG A 39 8.947 -9.101 -13.698 1.00 7.69 H new ATOM 632 N ALA A 40 10.377 -10.415 -7.546 1.00 1.98 N ATOM 633 CA ALA A 40 10.484 -11.759 -6.883 1.00 2.17 C ATOM 634 C ALA A 40 9.427 -12.754 -7.380 1.00 2.24 C ATOM 635 O ALA A 40 9.742 -13.911 -7.596 1.00 2.60 O ATOM 636 CB ALA A 40 10.322 -11.618 -5.367 1.00 2.06 C ATOM 0 H ALA A 40 10.407 -9.616 -6.912 1.00 1.98 H new ATOM 0 HA ALA A 40 11.471 -12.144 -7.139 1.00 2.17 H new ATOM 0 HB1 ALA A 40 10.402 -12.600 -4.900 1.00 2.06 H new ATOM 0 HB2 ALA A 40 11.103 -10.966 -4.977 1.00 2.06 H new ATOM 0 HB3 ALA A 40 9.345 -11.188 -5.144 1.00 2.06 H new ATOM 642 N GLU A 41 8.204 -12.298 -7.522 1.00 1.92 N ATOM 643 CA GLU A 41 7.113 -13.217 -7.980 1.00 2.07 C ATOM 644 C GLU A 41 7.206 -13.517 -9.482 1.00 2.11 C ATOM 645 O GLU A 41 6.884 -14.608 -9.905 1.00 2.39 O ATOM 646 CB GLU A 41 5.756 -12.576 -7.627 1.00 1.88 C ATOM 647 CG GLU A 41 5.375 -12.973 -6.193 1.00 2.09 C ATOM 648 CD GLU A 41 4.017 -12.362 -5.841 1.00 1.70 C ATOM 649 OE1 GLU A 41 3.056 -12.748 -6.494 1.00 2.38 O ATOM 650 OE2 GLU A 41 4.023 -11.529 -4.947 1.00 2.39 O ATOM 0 H GLU A 41 7.916 -11.336 -7.342 1.00 1.92 H new ATOM 0 HA GLU A 41 7.218 -14.175 -7.470 1.00 2.07 H new ATOM 0 HB2 GLU A 41 5.818 -11.491 -7.714 1.00 1.88 H new ATOM 0 HB3 GLU A 41 4.989 -12.909 -8.326 1.00 1.88 H new ATOM 0 HG2 GLU A 41 5.332 -14.058 -6.104 1.00 2.09 H new ATOM 0 HG3 GLU A 41 6.135 -12.625 -5.493 1.00 2.09 H new ATOM 657 N GLY A 42 7.629 -12.553 -10.258 1.00 1.92 N ATOM 658 CA GLY A 42 7.753 -12.783 -11.740 1.00 1.97 C ATOM 659 C GLY A 42 6.570 -12.162 -12.485 1.00 1.77 C ATOM 660 O GLY A 42 5.973 -12.790 -13.343 1.00 1.92 O ATOM 0 H GLY A 42 7.894 -11.621 -9.939 1.00 1.92 H new ATOM 0 HA2 GLY A 42 8.685 -12.351 -12.103 1.00 1.97 H new ATOM 0 HA3 GLY A 42 7.797 -13.853 -11.945 1.00 1.97 H new ATOM 664 N ILE A 43 6.306 -10.919 -12.195 1.00 1.51 N ATOM 665 CA ILE A 43 5.155 -10.229 -12.839 1.00 1.40 C ATOM 666 C ILE A 43 5.630 -9.164 -13.837 1.00 1.33 C ATOM 667 O ILE A 43 6.637 -8.511 -13.600 1.00 1.40 O ATOM 668 CB ILE A 43 4.353 -9.576 -11.703 1.00 1.30 C ATOM 669 CG1 ILE A 43 3.829 -10.683 -10.767 1.00 1.47 C ATOM 670 CG2 ILE A 43 3.181 -8.782 -12.275 1.00 1.37 C ATOM 671 CD1 ILE A 43 3.066 -10.071 -9.583 1.00 1.52 C ATOM 0 H ILE A 43 6.839 -10.350 -11.538 1.00 1.51 H new ATOM 0 HA ILE A 43 4.549 -10.938 -13.403 1.00 1.40 H new ATOM 0 HB ILE A 43 4.995 -8.893 -11.147 1.00 1.30 H new ATOM 0 HG12 ILE A 43 3.174 -11.355 -11.321 1.00 1.47 H new ATOM 0 HG13 ILE A 43 4.663 -11.281 -10.400 1.00 1.47 H new ATOM 0 HG21 ILE A 43 2.620 -8.324 -11.461 1.00 1.37 H new ATOM 0 HG22 ILE A 43 3.558 -8.004 -12.939 1.00 1.37 H new ATOM 0 HG23 ILE A 43 2.527 -9.451 -12.835 1.00 1.37 H new ATOM 0 HD11 ILE A 43 2.703 -10.867 -8.933 1.00 1.52 H new ATOM 0 HD12 ILE A 43 3.732 -9.418 -9.020 1.00 1.52 H new ATOM 0 HD13 ILE A 43 2.220 -9.493 -9.955 1.00 1.52 H new ATOM 683 N THR A 44 4.924 -9.017 -14.930 1.00 1.43 N ATOM 684 CA THR A 44 5.315 -7.985 -15.937 1.00 1.52 C ATOM 685 C THR A 44 4.252 -6.874 -15.934 1.00 1.63 C ATOM 686 O THR A 44 4.275 -6.003 -15.087 1.00 2.17 O ATOM 687 CB THR A 44 5.425 -8.637 -17.331 1.00 1.74 C ATOM 688 OG1 THR A 44 4.238 -9.401 -17.495 1.00 1.89 O ATOM 689 CG2 THR A 44 6.561 -9.663 -17.380 1.00 2.08 C ATOM 0 H THR A 44 4.097 -9.565 -15.168 1.00 1.43 H new ATOM 0 HA THR A 44 6.285 -7.555 -15.687 1.00 1.52 H new ATOM 0 HB THR A 44 5.588 -7.861 -18.079 1.00 1.74 H new ATOM 0 HG1 THR A 44 3.846 -9.211 -18.373 1.00 1.89 H new ATOM 0 HG21 THR A 44 6.611 -10.103 -18.376 1.00 2.08 H new ATOM 0 HG22 THR A 44 7.506 -9.170 -17.153 1.00 2.08 H new ATOM 0 HG23 THR A 44 6.375 -10.447 -16.646 1.00 2.08 H new ATOM 697 N LYS A 45 3.333 -6.950 -16.861 1.00 2.26 N ATOM 698 CA LYS A 45 2.242 -5.928 -16.952 1.00 2.75 C ATOM 699 C LYS A 45 0.914 -6.650 -17.150 1.00 3.10 C ATOM 700 O LYS A 45 -0.041 -6.421 -16.429 1.00 3.62 O ATOM 701 CB LYS A 45 2.513 -5.013 -18.157 1.00 3.41 C ATOM 702 CG LYS A 45 1.418 -3.940 -18.287 1.00 4.49 C ATOM 703 CD LYS A 45 1.696 -3.093 -19.541 1.00 5.05 C ATOM 704 CE LYS A 45 1.363 -1.617 -19.277 1.00 5.19 C ATOM 705 NZ LYS A 45 -0.107 -1.401 -19.073 1.00 5.98 N ATOM 0 H LYS A 45 3.290 -7.684 -17.568 1.00 2.26 H new ATOM 0 HA LYS A 45 2.206 -5.330 -16.042 1.00 2.75 H new ATOM 0 HB2 LYS A 45 3.486 -4.534 -18.044 1.00 3.41 H new ATOM 0 HB3 LYS A 45 2.555 -5.608 -19.069 1.00 3.41 H new ATOM 0 HG2 LYS A 45 0.437 -4.410 -18.359 1.00 4.49 H new ATOM 0 HG3 LYS A 45 1.404 -3.307 -17.400 1.00 4.49 H new ATOM 0 HD2 LYS A 45 2.743 -3.190 -19.828 1.00 5.05 H new ATOM 0 HD3 LYS A 45 1.101 -3.463 -20.376 1.00 5.05 H new ATOM 0 HE2 LYS A 45 1.906 -1.275 -18.396 1.00 5.19 H new ATOM 0 HE3 LYS A 45 1.705 -1.012 -20.117 1.00 5.19 H new ATOM 0 HZ1 LYS A 45 -0.492 -0.856 -19.871 1.00 5.98 H new ATOM 0 HZ2 LYS A 45 -0.589 -2.321 -19.018 1.00 5.98 H new ATOM 0 HZ3 LYS A 45 -0.261 -0.876 -18.188 1.00 5.98 H new ATOM 719 N GLU A 46 0.894 -7.476 -18.167 1.00 3.04 N ATOM 720 CA GLU A 46 -0.330 -8.260 -18.504 1.00 3.49 C ATOM 721 C GLU A 46 -0.983 -8.831 -17.237 1.00 3.38 C ATOM 722 O GLU A 46 -2.166 -8.630 -17.026 1.00 3.77 O ATOM 723 CB GLU A 46 0.050 -9.390 -19.480 1.00 3.62 C ATOM 724 CG GLU A 46 0.753 -8.802 -20.730 1.00 3.64 C ATOM 725 CD GLU A 46 2.270 -9.064 -20.678 1.00 3.74 C ATOM 726 OE1 GLU A 46 2.860 -8.620 -19.704 1.00 3.62 O ATOM 727 OE2 GLU A 46 2.754 -9.688 -21.608 1.00 4.66 O ATOM 0 H GLU A 46 1.688 -7.641 -18.786 1.00 3.04 H new ATOM 0 HA GLU A 46 -1.058 -7.602 -18.978 1.00 3.49 H new ATOM 0 HB2 GLU A 46 0.709 -10.103 -18.984 1.00 3.62 H new ATOM 0 HB3 GLU A 46 -0.844 -9.938 -19.780 1.00 3.62 H new ATOM 0 HG2 GLU A 46 0.333 -9.247 -21.632 1.00 3.64 H new ATOM 0 HG3 GLU A 46 0.566 -7.730 -20.787 1.00 3.64 H new ATOM 734 N ASP A 47 -0.216 -9.531 -16.424 1.00 2.94 N ATOM 735 CA ASP A 47 -0.817 -10.099 -15.165 1.00 2.97 C ATOM 736 C ASP A 47 -1.484 -8.970 -14.381 1.00 2.84 C ATOM 737 O ASP A 47 -2.692 -8.901 -14.327 1.00 2.97 O ATOM 738 CB ASP A 47 0.291 -10.750 -14.311 1.00 2.62 C ATOM 739 CG ASP A 47 -0.300 -11.402 -13.040 1.00 3.30 C ATOM 740 OD1 ASP A 47 -0.968 -10.682 -12.316 1.00 3.81 O ATOM 741 OD2 ASP A 47 -0.039 -12.581 -12.860 1.00 4.31 O ATOM 0 H ASP A 47 0.774 -9.730 -16.571 1.00 2.94 H new ATOM 0 HA ASP A 47 -1.559 -10.856 -15.417 1.00 2.97 H new ATOM 0 HB2 ASP A 47 0.814 -11.503 -14.900 1.00 2.62 H new ATOM 0 HB3 ASP A 47 1.027 -9.997 -14.029 1.00 2.62 H new ATOM 746 N LEU A 48 -0.691 -8.115 -13.778 1.00 2.63 N ATOM 747 CA LEU A 48 -1.259 -6.966 -12.987 1.00 2.57 C ATOM 748 C LEU A 48 -2.543 -6.407 -13.604 1.00 3.03 C ATOM 749 O LEU A 48 -3.529 -6.194 -12.908 1.00 3.22 O ATOM 750 CB LEU A 48 -0.219 -5.844 -12.911 1.00 2.28 C ATOM 751 CG LEU A 48 0.943 -6.285 -12.023 1.00 1.80 C ATOM 752 CD1 LEU A 48 2.095 -5.285 -12.174 1.00 1.70 C ATOM 753 CD2 LEU A 48 0.493 -6.312 -10.556 1.00 1.87 C ATOM 0 H LEU A 48 0.328 -8.160 -13.797 1.00 2.63 H new ATOM 0 HA LEU A 48 -1.504 -7.344 -11.995 1.00 2.57 H new ATOM 0 HB2 LEU A 48 0.144 -5.602 -13.910 1.00 2.28 H new ATOM 0 HB3 LEU A 48 -0.674 -4.939 -12.509 1.00 2.28 H new ATOM 0 HG LEU A 48 1.269 -7.281 -12.321 1.00 1.80 H new ATOM 0 HD11 LEU A 48 2.929 -5.593 -11.543 1.00 1.70 H new ATOM 0 HD12 LEU A 48 2.418 -5.257 -13.215 1.00 1.70 H new ATOM 0 HD13 LEU A 48 1.758 -4.293 -11.872 1.00 1.70 H new ATOM 0 HD21 LEU A 48 1.325 -6.627 -9.926 1.00 1.87 H new ATOM 0 HD22 LEU A 48 0.168 -5.315 -10.257 1.00 1.87 H new ATOM 0 HD23 LEU A 48 -0.334 -7.013 -10.442 1.00 1.87 H new ATOM 765 N GLN A 49 -2.488 -6.136 -14.894 1.00 3.20 N ATOM 766 CA GLN A 49 -3.696 -5.583 -15.593 1.00 3.67 C ATOM 767 C GLN A 49 -4.929 -6.388 -15.195 1.00 3.86 C ATOM 768 O GLN A 49 -5.931 -5.829 -14.806 1.00 4.00 O ATOM 769 CB GLN A 49 -3.515 -5.639 -17.122 1.00 4.04 C ATOM 770 CG GLN A 49 -2.517 -4.560 -17.559 1.00 3.79 C ATOM 771 CD GLN A 49 -2.285 -4.588 -19.077 1.00 4.19 C ATOM 772 OE1 GLN A 49 -1.495 -3.811 -19.582 1.00 4.05 O ATOM 773 NE2 GLN A 49 -2.926 -5.438 -19.835 1.00 5.35 N ATOM 0 H GLN A 49 -1.668 -6.273 -15.484 1.00 3.20 H new ATOM 0 HA GLN A 49 -3.823 -4.542 -15.296 1.00 3.67 H new ATOM 0 HB2 GLN A 49 -3.156 -6.624 -17.420 1.00 4.04 H new ATOM 0 HB3 GLN A 49 -4.473 -5.485 -17.618 1.00 4.04 H new ATOM 0 HG2 GLN A 49 -2.889 -3.579 -17.265 1.00 3.79 H new ATOM 0 HG3 GLN A 49 -1.569 -4.709 -17.042 1.00 3.79 H new ATOM 0 HE21 GLN A 49 -3.589 -6.092 -19.420 1.00 5.35 H new ATOM 0 HE22 GLN A 49 -2.763 -5.447 -20.842 1.00 5.35 H new ATOM 782 N GLN A 50 -4.814 -7.683 -15.313 1.00 3.92 N ATOM 783 CA GLN A 50 -5.942 -8.601 -14.945 1.00 4.22 C ATOM 784 C GLN A 50 -6.608 -8.178 -13.619 1.00 3.81 C ATOM 785 O GLN A 50 -7.810 -8.258 -13.457 1.00 4.10 O ATOM 786 CB GLN A 50 -5.365 -10.022 -14.799 1.00 4.47 C ATOM 787 CG GLN A 50 -4.782 -10.497 -16.141 1.00 4.79 C ATOM 788 CD GLN A 50 -5.915 -10.667 -17.152 1.00 4.86 C ATOM 789 OE1 GLN A 50 -6.225 -9.779 -17.915 1.00 4.57 O ATOM 790 NE2 GLN A 50 -6.586 -11.780 -17.166 1.00 6.15 N ATOM 0 H GLN A 50 -3.976 -8.155 -15.653 1.00 3.92 H new ATOM 0 HA GLN A 50 -6.704 -8.561 -15.723 1.00 4.22 H new ATOM 0 HB2 GLN A 50 -4.589 -10.031 -14.033 1.00 4.47 H new ATOM 0 HB3 GLN A 50 -6.146 -10.708 -14.470 1.00 4.47 H new ATOM 0 HG2 GLN A 50 -4.055 -9.774 -16.511 1.00 4.79 H new ATOM 0 HG3 GLN A 50 -4.254 -11.441 -16.007 1.00 4.79 H new ATOM 0 HE21 GLN A 50 -6.334 -12.535 -16.528 1.00 6.15 H new ATOM 0 HE22 GLN A 50 -7.364 -11.898 -17.815 1.00 6.15 H new ATOM 799 N LYS A 51 -5.787 -7.711 -12.716 1.00 3.16 N ATOM 800 CA LYS A 51 -6.280 -7.296 -11.367 1.00 2.82 C ATOM 801 C LYS A 51 -6.570 -5.789 -11.243 1.00 2.46 C ATOM 802 O LYS A 51 -7.130 -5.376 -10.241 1.00 2.27 O ATOM 803 CB LYS A 51 -5.192 -7.669 -10.339 1.00 2.80 C ATOM 804 CG LYS A 51 -5.713 -8.716 -9.337 1.00 3.57 C ATOM 805 CD LYS A 51 -5.245 -8.359 -7.913 1.00 3.64 C ATOM 806 CE LYS A 51 -6.338 -7.558 -7.198 1.00 4.57 C ATOM 807 NZ LYS A 51 -6.788 -6.405 -8.029 1.00 4.86 N ATOM 0 H LYS A 51 -4.783 -7.598 -12.856 1.00 3.16 H new ATOM 0 HA LYS A 51 -7.226 -7.809 -11.193 1.00 2.82 H new ATOM 0 HB2 LYS A 51 -4.317 -8.061 -10.857 1.00 2.80 H new ATOM 0 HB3 LYS A 51 -4.872 -6.776 -9.803 1.00 2.80 H new ATOM 0 HG2 LYS A 51 -6.802 -8.755 -9.372 1.00 3.57 H new ATOM 0 HG3 LYS A 51 -5.349 -9.706 -9.611 1.00 3.57 H new ATOM 0 HD2 LYS A 51 -5.022 -9.268 -7.354 1.00 3.64 H new ATOM 0 HD3 LYS A 51 -4.324 -7.778 -7.957 1.00 3.64 H new ATOM 0 HE2 LYS A 51 -7.186 -8.207 -6.981 1.00 4.57 H new ATOM 0 HE3 LYS A 51 -5.961 -7.196 -6.241 1.00 4.57 H new ATOM 0 HZ1 LYS A 51 -7.586 -5.930 -7.560 1.00 4.86 H new ATOM 0 HZ2 LYS A 51 -6.003 -5.732 -8.144 1.00 4.86 H new ATOM 0 HZ3 LYS A 51 -7.090 -6.747 -8.963 1.00 4.86 H new ATOM 821 N ALA A 52 -6.161 -4.998 -12.195 1.00 2.54 N ATOM 822 CA ALA A 52 -6.422 -3.519 -12.088 1.00 2.45 C ATOM 823 C ALA A 52 -7.235 -2.971 -13.262 1.00 2.55 C ATOM 824 O ALA A 52 -8.181 -2.224 -13.084 1.00 2.67 O ATOM 825 CB ALA A 52 -5.087 -2.764 -12.067 1.00 2.43 C ATOM 0 H ALA A 52 -5.664 -5.297 -13.034 1.00 2.54 H new ATOM 0 HA ALA A 52 -6.992 -3.372 -11.170 1.00 2.45 H new ATOM 0 HB1 ALA A 52 -5.276 -1.693 -11.990 1.00 2.43 H new ATOM 0 HB2 ALA A 52 -4.497 -3.091 -11.211 1.00 2.43 H new ATOM 0 HB3 ALA A 52 -4.538 -2.970 -12.986 1.00 2.43 H new ATOM 831 N GLY A 53 -6.826 -3.344 -14.436 1.00 2.77 N ATOM 832 CA GLY A 53 -7.502 -2.831 -15.654 1.00 3.03 C ATOM 833 C GLY A 53 -6.724 -1.589 -16.090 1.00 3.15 C ATOM 834 O GLY A 53 -7.292 -0.555 -16.356 1.00 2.98 O ATOM 0 H GLY A 53 -6.050 -3.984 -14.606 1.00 2.77 H new ATOM 0 HA2 GLY A 53 -7.505 -3.584 -16.442 1.00 3.03 H new ATOM 0 HA3 GLY A 53 -8.543 -2.584 -15.445 1.00 3.03 H new ATOM 838 N LYS A 54 -5.421 -1.729 -16.163 1.00 3.76 N ATOM 839 CA LYS A 54 -4.546 -0.570 -16.560 1.00 4.04 C ATOM 840 C LYS A 54 -3.675 -0.893 -17.789 1.00 4.55 C ATOM 841 O LYS A 54 -2.482 -1.133 -17.663 1.00 4.79 O ATOM 842 CB LYS A 54 -3.632 -0.214 -15.373 1.00 4.55 C ATOM 843 CG LYS A 54 -4.416 0.567 -14.304 1.00 4.36 C ATOM 844 CD LYS A 54 -3.951 2.037 -14.277 1.00 4.55 C ATOM 845 CE LYS A 54 -4.337 2.741 -15.588 1.00 5.51 C ATOM 846 NZ LYS A 54 -3.743 4.108 -15.643 1.00 5.95 N ATOM 0 H LYS A 54 -4.922 -2.596 -15.965 1.00 3.76 H new ATOM 0 HA LYS A 54 -5.192 0.267 -16.825 1.00 4.04 H new ATOM 0 HB2 LYS A 54 -3.220 -1.125 -14.938 1.00 4.55 H new ATOM 0 HB3 LYS A 54 -2.789 0.382 -15.722 1.00 4.55 H new ATOM 0 HG2 LYS A 54 -5.484 0.519 -14.517 1.00 4.36 H new ATOM 0 HG3 LYS A 54 -4.265 0.111 -13.325 1.00 4.36 H new ATOM 0 HD2 LYS A 54 -4.404 2.554 -13.431 1.00 4.55 H new ATOM 0 HD3 LYS A 54 -2.871 2.082 -14.136 1.00 4.55 H new ATOM 0 HE2 LYS A 54 -3.991 2.154 -16.438 1.00 5.51 H new ATOM 0 HE3 LYS A 54 -5.422 2.806 -15.666 1.00 5.51 H new ATOM 0 HZ1 LYS A 54 -4.497 4.809 -15.789 1.00 5.95 H new ATOM 0 HZ2 LYS A 54 -3.252 4.309 -14.749 1.00 5.95 H new ATOM 0 HZ3 LYS A 54 -3.065 4.160 -16.430 1.00 5.95 H new ATOM 860 N PRO A 55 -4.256 -0.845 -18.967 1.00 5.15 N ATOM 861 CA PRO A 55 -3.530 -1.207 -20.209 1.00 5.79 C ATOM 862 C PRO A 55 -2.591 -0.082 -20.667 1.00 5.38 C ATOM 863 O PRO A 55 -2.357 0.095 -21.839 1.00 6.23 O ATOM 864 CB PRO A 55 -4.643 -1.456 -21.242 1.00 7.12 C ATOM 865 CG PRO A 55 -5.989 -1.326 -20.490 1.00 7.25 C ATOM 866 CD PRO A 55 -5.694 -0.570 -19.191 1.00 5.79 C ATOM 0 HA PRO A 55 -2.888 -2.077 -20.068 1.00 5.79 H new ATOM 0 HB2 PRO A 55 -4.584 -0.733 -22.056 1.00 7.12 H new ATOM 0 HB3 PRO A 55 -4.543 -2.446 -21.687 1.00 7.12 H new ATOM 0 HG2 PRO A 55 -6.720 -0.788 -21.094 1.00 7.25 H new ATOM 0 HG3 PRO A 55 -6.411 -2.308 -20.279 1.00 7.25 H new ATOM 0 HD2 PRO A 55 -5.890 0.497 -19.291 1.00 5.79 H new ATOM 0 HD3 PRO A 55 -6.308 -0.931 -18.365 1.00 5.79 H new ATOM 874 N VAL A 56 -2.038 0.618 -19.720 1.00 4.57 N ATOM 875 CA VAL A 56 -1.100 1.741 -20.051 1.00 4.56 C ATOM 876 C VAL A 56 0.157 1.608 -19.188 1.00 4.24 C ATOM 877 O VAL A 56 1.129 1.035 -19.634 1.00 5.19 O ATOM 878 CB VAL A 56 -1.806 3.094 -19.817 1.00 4.90 C ATOM 879 CG1 VAL A 56 -2.444 3.547 -21.139 1.00 6.22 C ATOM 880 CG2 VAL A 56 -2.927 2.943 -18.775 1.00 5.28 C ATOM 0 H VAL A 56 -2.192 0.465 -18.723 1.00 4.57 H new ATOM 0 HA VAL A 56 -0.807 1.695 -21.100 1.00 4.56 H new ATOM 0 HB VAL A 56 -1.074 3.818 -19.460 1.00 4.90 H new ATOM 0 HG11 VAL A 56 -2.948 4.502 -20.991 1.00 6.22 H new ATOM 0 HG12 VAL A 56 -1.669 3.659 -21.897 1.00 6.22 H new ATOM 0 HG13 VAL A 56 -3.169 2.802 -21.467 1.00 6.22 H new ATOM 0 HG21 VAL A 56 -3.414 3.906 -18.622 1.00 5.28 H new ATOM 0 HG22 VAL A 56 -3.659 2.218 -19.131 1.00 5.28 H new ATOM 0 HG23 VAL A 56 -2.503 2.597 -17.832 1.00 5.28 H new ATOM 890 N GLU A 57 0.101 2.070 -17.968 1.00 3.48 N ATOM 891 CA GLU A 57 1.288 1.941 -17.074 1.00 3.54 C ATOM 892 C GLU A 57 1.053 0.695 -16.224 1.00 4.01 C ATOM 893 O GLU A 57 0.168 -0.079 -16.569 1.00 5.04 O ATOM 894 CB GLU A 57 1.452 3.202 -16.191 1.00 3.67 C ATOM 895 CG GLU A 57 0.518 3.208 -14.952 1.00 3.98 C ATOM 896 CD GLU A 57 -0.857 3.811 -15.259 1.00 4.56 C ATOM 897 OE1 GLU A 57 -1.226 3.820 -16.420 1.00 5.28 O ATOM 898 OE2 GLU A 57 -1.497 4.209 -14.304 1.00 5.20 O ATOM 0 H GLU A 57 -0.710 2.529 -17.553 1.00 3.48 H new ATOM 0 HA GLU A 57 2.209 1.848 -17.650 1.00 3.54 H new ATOM 0 HB2 GLU A 57 2.487 3.272 -15.857 1.00 3.67 H new ATOM 0 HB3 GLU A 57 1.251 4.088 -16.793 1.00 3.67 H new ATOM 0 HG2 GLU A 57 0.392 2.187 -14.591 1.00 3.98 H new ATOM 0 HG3 GLU A 57 0.989 3.774 -14.148 1.00 3.98 H new ATOM 905 N THR A 58 1.806 0.520 -15.160 1.00 3.95 N ATOM 906 CA THR A 58 1.598 -0.706 -14.313 1.00 5.06 C ATOM 907 C THR A 58 2.597 -0.797 -13.143 1.00 4.03 C ATOM 908 O THR A 58 2.325 -1.501 -12.183 1.00 3.93 O ATOM 909 CB THR A 58 1.723 -1.958 -15.208 1.00 7.17 C ATOM 910 OG1 THR A 58 1.494 -3.094 -14.383 1.00 8.39 O ATOM 911 CG2 THR A 58 3.150 -2.133 -15.736 1.00 7.62 C ATOM 0 H THR A 58 2.539 1.155 -14.845 1.00 3.95 H new ATOM 0 HA THR A 58 0.603 -0.643 -13.873 1.00 5.06 H new ATOM 0 HB THR A 58 1.022 -1.854 -16.036 1.00 7.17 H new ATOM 0 HG1 THR A 58 1.096 -3.812 -14.918 1.00 8.39 H new ATOM 0 HG21 THR A 58 3.200 -3.024 -16.362 1.00 7.62 H new ATOM 0 HG22 THR A 58 3.430 -1.260 -16.325 1.00 7.62 H new ATOM 0 HG23 THR A 58 3.838 -2.240 -14.897 1.00 7.62 H new ATOM 919 N VAL A 59 3.750 -0.166 -13.260 1.00 3.69 N ATOM 920 CA VAL A 59 4.746 -0.232 -12.138 1.00 2.96 C ATOM 921 C VAL A 59 5.000 1.175 -11.558 1.00 2.97 C ATOM 922 O VAL A 59 5.130 2.134 -12.301 1.00 3.59 O ATOM 923 CB VAL A 59 6.075 -0.828 -12.664 1.00 3.17 C ATOM 924 CG1 VAL A 59 7.237 -0.507 -11.706 1.00 2.80 C ATOM 925 CG2 VAL A 59 5.949 -2.355 -12.758 1.00 3.77 C ATOM 0 H VAL A 59 4.038 0.382 -14.070 1.00 3.69 H new ATOM 0 HA VAL A 59 4.346 -0.867 -11.347 1.00 2.96 H new ATOM 0 HB VAL A 59 6.277 -0.392 -13.642 1.00 3.17 H new ATOM 0 HG11 VAL A 59 8.160 -0.936 -12.097 1.00 2.80 H new ATOM 0 HG12 VAL A 59 7.348 0.574 -11.618 1.00 2.80 H new ATOM 0 HG13 VAL A 59 7.027 -0.931 -10.724 1.00 2.80 H new ATOM 0 HG21 VAL A 59 6.884 -2.775 -13.128 1.00 3.77 H new ATOM 0 HG22 VAL A 59 5.733 -2.764 -11.771 1.00 3.77 H new ATOM 0 HG23 VAL A 59 5.140 -2.612 -13.442 1.00 3.77 H new ATOM 935 N PRO A 60 5.095 1.276 -10.239 1.00 2.50 N ATOM 936 CA PRO A 60 4.513 0.311 -9.260 1.00 1.86 C ATOM 937 C PRO A 60 3.060 0.691 -8.944 1.00 1.39 C ATOM 938 O PRO A 60 2.629 1.781 -9.271 1.00 1.51 O ATOM 939 CB PRO A 60 5.398 0.481 -8.029 1.00 1.97 C ATOM 940 CG PRO A 60 5.963 1.917 -8.112 1.00 2.55 C ATOM 941 CD PRO A 60 5.873 2.353 -9.589 1.00 2.85 C ATOM 0 HA PRO A 60 4.489 -0.716 -9.625 1.00 1.86 H new ATOM 0 HB2 PRO A 60 4.825 0.339 -7.113 1.00 1.97 H new ATOM 0 HB3 PRO A 60 6.201 -0.256 -8.020 1.00 1.97 H new ATOM 0 HG2 PRO A 60 5.393 2.593 -7.475 1.00 2.55 H new ATOM 0 HG3 PRO A 60 6.995 1.946 -7.764 1.00 2.55 H new ATOM 0 HD2 PRO A 60 5.377 3.319 -9.690 1.00 2.85 H new ATOM 0 HD3 PRO A 60 6.862 2.454 -10.035 1.00 2.85 H new ATOM 949 N GLN A 61 2.340 -0.207 -8.314 1.00 0.94 N ATOM 950 CA GLN A 61 0.915 0.103 -7.961 1.00 0.59 C ATOM 951 C GLN A 61 0.541 -0.438 -6.574 1.00 0.48 C ATOM 952 O GLN A 61 1.230 -1.282 -6.011 1.00 0.52 O ATOM 953 CB GLN A 61 -0.033 -0.508 -9.012 1.00 0.94 C ATOM 954 CG GLN A 61 0.133 0.228 -10.348 1.00 1.35 C ATOM 955 CD GLN A 61 -0.972 -0.202 -11.321 1.00 2.21 C ATOM 956 OE1 GLN A 61 -1.202 -1.373 -11.552 1.00 3.02 O ATOM 957 NE2 GLN A 61 -1.684 0.709 -11.923 1.00 3.08 N ATOM 0 H GLN A 61 2.670 -1.130 -8.031 1.00 0.94 H new ATOM 0 HA GLN A 61 0.811 1.188 -7.946 1.00 0.59 H new ATOM 0 HB2 GLN A 61 0.185 -1.568 -9.140 1.00 0.94 H new ATOM 0 HB3 GLN A 61 -1.066 -0.434 -8.671 1.00 0.94 H new ATOM 0 HG2 GLN A 61 0.090 1.305 -10.188 1.00 1.35 H new ATOM 0 HG3 GLN A 61 1.112 0.008 -10.775 1.00 1.35 H new ATOM 0 HE21 GLN A 61 -1.506 1.697 -11.742 1.00 3.08 H new ATOM 0 HE22 GLN A 61 -2.419 0.434 -12.575 1.00 3.08 H new ATOM 966 N ILE A 62 -0.531 0.105 -6.060 1.00 0.51 N ATOM 967 CA ILE A 62 -1.051 -0.317 -4.736 1.00 0.53 C ATOM 968 C ILE A 62 -2.488 -0.777 -4.914 1.00 0.54 C ATOM 969 O ILE A 62 -3.254 -0.222 -5.706 1.00 0.59 O ATOM 970 CB ILE A 62 -1.049 0.856 -3.738 1.00 0.63 C ATOM 971 CG1 ILE A 62 0.380 1.352 -3.505 1.00 0.80 C ATOM 972 CG2 ILE A 62 -1.651 0.408 -2.394 1.00 0.73 C ATOM 973 CD1 ILE A 62 0.741 2.349 -4.600 1.00 1.37 C ATOM 0 H ILE A 62 -1.075 0.838 -6.515 1.00 0.51 H new ATOM 0 HA ILE A 62 -0.415 -1.113 -4.349 1.00 0.53 H new ATOM 0 HB ILE A 62 -1.649 1.664 -4.156 1.00 0.63 H new ATOM 0 HG12 ILE A 62 0.461 1.823 -2.525 1.00 0.80 H new ATOM 0 HG13 ILE A 62 1.076 0.513 -3.514 1.00 0.80 H new ATOM 0 HG21 ILE A 62 -1.645 1.245 -1.696 1.00 0.73 H new ATOM 0 HG22 ILE A 62 -2.676 0.072 -2.549 1.00 0.73 H new ATOM 0 HG23 ILE A 62 -1.059 -0.410 -1.985 1.00 0.73 H new ATOM 0 HD11 ILE A 62 1.758 2.709 -4.443 1.00 1.37 H new ATOM 0 HD12 ILE A 62 0.674 1.861 -5.573 1.00 1.37 H new ATOM 0 HD13 ILE A 62 0.049 3.191 -4.568 1.00 1.37 H new ATOM 985 N PHE A 63 -2.810 -1.744 -4.123 1.00 0.51 N ATOM 986 CA PHE A 63 -4.177 -2.331 -4.119 1.00 0.56 C ATOM 987 C PHE A 63 -4.692 -2.216 -2.692 1.00 0.50 C ATOM 988 O PHE A 63 -4.003 -2.644 -1.781 1.00 0.50 O ATOM 989 CB PHE A 63 -4.113 -3.819 -4.515 1.00 0.67 C ATOM 990 CG PHE A 63 -4.259 -3.980 -6.032 1.00 0.84 C ATOM 991 CD1 PHE A 63 -5.470 -3.713 -6.633 1.00 0.83 C ATOM 992 CD2 PHE A 63 -3.204 -4.417 -6.814 1.00 1.44 C ATOM 993 CE1 PHE A 63 -5.629 -3.882 -7.991 1.00 1.10 C ATOM 994 CE2 PHE A 63 -3.364 -4.588 -8.173 1.00 1.75 C ATOM 995 CZ PHE A 63 -4.578 -4.322 -8.760 1.00 1.49 C ATOM 0 H PHE A 63 -2.167 -2.170 -3.455 1.00 0.51 H new ATOM 0 HA PHE A 63 -4.826 -1.814 -4.826 1.00 0.56 H new ATOM 0 HB2 PHE A 63 -3.166 -4.248 -4.188 1.00 0.67 H new ATOM 0 HB3 PHE A 63 -4.904 -4.370 -4.007 1.00 0.67 H new ATOM 0 HD1 PHE A 63 -6.301 -3.369 -6.035 1.00 0.83 H new ATOM 0 HD2 PHE A 63 -2.248 -4.626 -6.356 1.00 1.44 H new ATOM 0 HE1 PHE A 63 -6.582 -3.668 -8.453 1.00 1.10 H new ATOM 0 HE2 PHE A 63 -2.536 -4.931 -8.776 1.00 1.75 H new ATOM 0 HZ PHE A 63 -4.706 -4.458 -9.824 1.00 1.49 H new ATOM 1005 N VAL A 64 -5.848 -1.650 -2.497 1.00 0.52 N ATOM 1006 CA VAL A 64 -6.351 -1.547 -1.093 1.00 0.55 C ATOM 1007 C VAL A 64 -7.528 -2.503 -0.947 1.00 0.68 C ATOM 1008 O VAL A 64 -8.395 -2.552 -1.802 1.00 0.98 O ATOM 1009 CB VAL A 64 -6.748 -0.095 -0.792 1.00 0.65 C ATOM 1010 CG1 VAL A 64 -7.575 -0.036 0.496 1.00 0.82 C ATOM 1011 CG2 VAL A 64 -5.463 0.732 -0.575 1.00 0.64 C ATOM 0 H VAL A 64 -6.454 -1.264 -3.221 1.00 0.52 H new ATOM 0 HA VAL A 64 -5.580 -1.824 -0.374 1.00 0.55 H new ATOM 0 HB VAL A 64 -7.332 0.299 -1.624 1.00 0.65 H new ATOM 0 HG11 VAL A 64 -7.853 0.997 0.703 1.00 0.82 H new ATOM 0 HG12 VAL A 64 -8.476 -0.637 0.378 1.00 0.82 H new ATOM 0 HG13 VAL A 64 -6.985 -0.426 1.325 1.00 0.82 H new ATOM 0 HG21 VAL A 64 -5.728 1.767 -0.360 1.00 0.64 H new ATOM 0 HG22 VAL A 64 -4.902 0.319 0.264 1.00 0.64 H new ATOM 0 HG23 VAL A 64 -4.850 0.694 -1.475 1.00 0.64 H new ATOM 1021 N ASP A 65 -7.532 -3.217 0.149 1.00 0.85 N ATOM 1022 CA ASP A 65 -8.593 -4.230 0.420 1.00 1.07 C ATOM 1023 C ASP A 65 -8.679 -5.170 -0.780 1.00 1.10 C ATOM 1024 O ASP A 65 -7.987 -6.166 -0.829 1.00 1.72 O ATOM 1025 CB ASP A 65 -9.928 -3.511 0.706 1.00 1.29 C ATOM 1026 CG ASP A 65 -9.947 -3.023 2.168 1.00 1.91 C ATOM 1027 OD1 ASP A 65 -8.876 -2.721 2.673 1.00 2.67 O ATOM 1028 OD2 ASP A 65 -11.035 -2.975 2.707 1.00 2.85 O ATOM 0 H ASP A 65 -6.828 -3.138 0.883 1.00 0.85 H new ATOM 0 HA ASP A 65 -8.356 -4.826 1.301 1.00 1.07 H new ATOM 0 HB2 ASP A 65 -10.051 -2.666 0.028 1.00 1.29 H new ATOM 0 HB3 ASP A 65 -10.763 -4.188 0.527 1.00 1.29 H new ATOM 1033 N GLN A 66 -9.493 -4.811 -1.724 1.00 1.14 N ATOM 1034 CA GLN A 66 -9.646 -5.641 -2.958 1.00 1.33 C ATOM 1035 C GLN A 66 -9.809 -4.757 -4.204 1.00 1.08 C ATOM 1036 O GLN A 66 -9.968 -5.266 -5.299 1.00 1.34 O ATOM 1037 CB GLN A 66 -10.882 -6.551 -2.810 1.00 1.87 C ATOM 1038 CG GLN A 66 -10.498 -7.843 -2.071 1.00 3.14 C ATOM 1039 CD GLN A 66 -9.857 -8.831 -3.053 1.00 4.44 C ATOM 1040 OE1 GLN A 66 -8.900 -8.525 -3.736 1.00 5.39 O ATOM 1041 NE2 GLN A 66 -10.349 -10.025 -3.166 1.00 5.35 N ATOM 0 H GLN A 66 -10.069 -3.969 -1.700 1.00 1.14 H new ATOM 0 HA GLN A 66 -8.747 -6.244 -3.081 1.00 1.33 H new ATOM 0 HB2 GLN A 66 -11.665 -6.028 -2.262 1.00 1.87 H new ATOM 0 HB3 GLN A 66 -11.287 -6.791 -3.793 1.00 1.87 H new ATOM 0 HG2 GLN A 66 -9.803 -7.617 -1.262 1.00 3.14 H new ATOM 0 HG3 GLN A 66 -11.382 -8.290 -1.616 1.00 3.14 H new ATOM 0 HE21 GLN A 66 -11.152 -10.301 -2.601 1.00 5.35 H new ATOM 0 HE22 GLN A 66 -9.933 -10.688 -3.820 1.00 5.35 H new ATOM 1050 N GLN A 67 -9.714 -3.468 -4.039 1.00 0.83 N ATOM 1051 CA GLN A 67 -9.899 -2.552 -5.176 1.00 0.86 C ATOM 1052 C GLN A 67 -8.563 -1.931 -5.610 1.00 0.75 C ATOM 1053 O GLN A 67 -7.650 -1.771 -4.809 1.00 0.68 O ATOM 1054 CB GLN A 67 -10.875 -1.500 -4.646 1.00 1.15 C ATOM 1055 CG GLN A 67 -10.853 -0.230 -5.478 1.00 1.90 C ATOM 1056 CD GLN A 67 -11.290 -0.510 -6.922 1.00 3.54 C ATOM 1057 OE1 GLN A 67 -12.245 -1.201 -7.173 1.00 4.08 O ATOM 1058 NE2 GLN A 67 -10.617 0.012 -7.901 1.00 5.14 N ATOM 0 H GLN A 67 -9.513 -3.013 -3.149 1.00 0.83 H new ATOM 0 HA GLN A 67 -10.280 -3.052 -6.067 1.00 0.86 H new ATOM 0 HB2 GLN A 67 -11.884 -1.912 -4.641 1.00 1.15 H new ATOM 0 HB3 GLN A 67 -10.623 -1.260 -3.613 1.00 1.15 H new ATOM 0 HG2 GLN A 67 -11.514 0.513 -5.032 1.00 1.90 H new ATOM 0 HG3 GLN A 67 -9.849 0.194 -5.474 1.00 1.90 H new ATOM 0 HE21 GLN A 67 -9.806 0.599 -7.706 1.00 5.14 H new ATOM 0 HE22 GLN A 67 -10.899 -0.165 -8.865 1.00 5.14 H new ATOM 1067 N HIS A 68 -8.486 -1.574 -6.869 1.00 0.90 N ATOM 1068 CA HIS A 68 -7.234 -0.947 -7.376 1.00 0.88 C ATOM 1069 C HIS A 68 -7.257 0.495 -6.908 1.00 0.77 C ATOM 1070 O HIS A 68 -8.310 1.106 -6.911 1.00 0.84 O ATOM 1071 CB HIS A 68 -7.209 -0.982 -8.909 1.00 1.08 C ATOM 1072 CG HIS A 68 -5.889 -0.481 -9.501 1.00 1.19 C ATOM 1073 ND1 HIS A 68 -5.830 0.613 -10.209 1.00 1.12 N ATOM 1074 CD2 HIS A 68 -4.613 -0.981 -9.455 1.00 1.67 C ATOM 1075 CE1 HIS A 68 -4.589 0.795 -10.605 1.00 1.42 C ATOM 1076 NE2 HIS A 68 -3.854 -0.181 -10.139 1.00 1.79 N ATOM 0 H HIS A 68 -9.229 -1.689 -7.558 1.00 0.90 H new ATOM 0 HA HIS A 68 -6.355 -1.478 -7.009 1.00 0.88 H new ATOM 0 HB2 HIS A 68 -7.387 -2.003 -9.246 1.00 1.08 H new ATOM 0 HB3 HIS A 68 -8.027 -0.373 -9.294 1.00 1.08 H new ATOM 0 HD1 HIS A 68 -6.617 1.226 -10.421 1.00 1.12 H new ATOM 0 HD2 HIS A 68 -4.297 -1.878 -8.943 1.00 1.67 H new ATOM 0 HE1 HIS A 68 -4.236 1.614 -11.214 1.00 1.42 H new ATOM 1084 N ILE A 69 -6.135 1.010 -6.521 1.00 0.73 N ATOM 1085 CA ILE A 69 -6.135 2.421 -6.042 1.00 0.74 C ATOM 1086 C ILE A 69 -5.303 3.268 -6.983 1.00 0.88 C ATOM 1087 O ILE A 69 -5.755 4.291 -7.449 1.00 1.13 O ATOM 1088 CB ILE A 69 -5.587 2.428 -4.613 1.00 0.75 C ATOM 1089 CG1 ILE A 69 -6.402 1.429 -3.766 1.00 0.84 C ATOM 1090 CG2 ILE A 69 -5.698 3.833 -4.005 1.00 0.75 C ATOM 1091 CD1 ILE A 69 -7.892 1.820 -3.695 1.00 0.85 C ATOM 0 H ILE A 69 -5.233 0.534 -6.512 1.00 0.73 H new ATOM 0 HA ILE A 69 -7.139 2.845 -6.032 1.00 0.74 H new ATOM 0 HB ILE A 69 -4.536 2.139 -4.626 1.00 0.75 H new ATOM 0 HG12 ILE A 69 -6.308 0.430 -4.192 1.00 0.84 H new ATOM 0 HG13 ILE A 69 -5.989 1.386 -2.758 1.00 0.84 H new ATOM 0 HG21 ILE A 69 -5.304 3.822 -2.989 1.00 0.75 H new ATOM 0 HG22 ILE A 69 -5.125 4.537 -4.608 1.00 0.75 H new ATOM 0 HG23 ILE A 69 -6.744 4.139 -3.986 1.00 0.75 H new ATOM 0 HD11 ILE A 69 -8.431 1.091 -3.090 1.00 0.85 H new ATOM 0 HD12 ILE A 69 -7.988 2.808 -3.245 1.00 0.85 H new ATOM 0 HD13 ILE A 69 -8.312 1.838 -4.701 1.00 0.85 H new ATOM 1103 N GLY A 70 -4.153 2.765 -7.321 1.00 0.88 N ATOM 1104 CA GLY A 70 -3.264 3.524 -8.247 1.00 1.12 C ATOM 1105 C GLY A 70 -1.818 3.435 -7.781 1.00 0.90 C ATOM 1106 O GLY A 70 -1.374 2.383 -7.364 1.00 1.76 O ATOM 0 H GLY A 70 -3.789 1.868 -7.001 1.00 0.88 H new ATOM 0 HA2 GLY A 70 -3.353 3.124 -9.257 1.00 1.12 H new ATOM 0 HA3 GLY A 70 -3.576 4.567 -8.289 1.00 1.12 H new ATOM 1110 N GLY A 71 -1.128 4.543 -7.827 1.00 0.94 N ATOM 1111 CA GLY A 71 0.309 4.566 -7.417 1.00 0.93 C ATOM 1112 C GLY A 71 0.502 5.295 -6.080 1.00 0.88 C ATOM 1113 O GLY A 71 -0.438 5.565 -5.355 1.00 1.57 O ATOM 0 H GLY A 71 -1.500 5.442 -8.134 1.00 0.94 H new ATOM 0 HA2 GLY A 71 0.681 3.545 -7.332 1.00 0.93 H new ATOM 0 HA3 GLY A 71 0.901 5.058 -8.189 1.00 0.93 H new ATOM 1117 N TYR A 72 1.740 5.595 -5.779 1.00 0.94 N ATOM 1118 CA TYR A 72 2.049 6.283 -4.491 1.00 0.81 C ATOM 1119 C TYR A 72 1.260 7.585 -4.320 1.00 0.80 C ATOM 1120 O TYR A 72 0.448 7.684 -3.437 1.00 1.02 O ATOM 1121 CB TYR A 72 3.554 6.579 -4.427 1.00 0.90 C ATOM 1122 CG TYR A 72 3.855 7.483 -3.222 1.00 0.93 C ATOM 1123 CD1 TYR A 72 3.428 7.139 -1.952 1.00 1.03 C ATOM 1124 CD2 TYR A 72 4.528 8.677 -3.392 1.00 1.35 C ATOM 1125 CE1 TYR A 72 3.664 7.975 -0.880 1.00 1.40 C ATOM 1126 CE2 TYR A 72 4.766 9.508 -2.320 1.00 1.63 C ATOM 1127 CZ TYR A 72 4.334 9.166 -1.059 1.00 1.63 C ATOM 1128 OH TYR A 72 4.563 10.003 0.010 1.00 2.11 O ATOM 0 H TYR A 72 2.548 5.393 -6.368 1.00 0.94 H new ATOM 0 HA TYR A 72 1.754 5.618 -3.680 1.00 0.81 H new ATOM 0 HB2 TYR A 72 4.114 5.648 -4.344 1.00 0.90 H new ATOM 0 HB3 TYR A 72 3.878 7.064 -5.348 1.00 0.90 H new ATOM 0 HD1 TYR A 72 2.905 6.207 -1.798 1.00 1.03 H new ATOM 0 HD2 TYR A 72 4.871 8.962 -4.376 1.00 1.35 H new ATOM 0 HE1 TYR A 72 3.322 7.694 0.105 1.00 1.40 H new ATOM 0 HE2 TYR A 72 5.297 10.437 -2.470 1.00 1.63 H new ATOM 0 HH TYR A 72 5.049 10.798 -0.295 1.00 2.11 H new ATOM 1138 N THR A 73 1.540 8.558 -5.139 1.00 0.90 N ATOM 1139 CA THR A 73 0.835 9.874 -5.038 1.00 0.98 C ATOM 1140 C THR A 73 -0.657 9.735 -4.660 1.00 0.90 C ATOM 1141 O THR A 73 -1.109 10.351 -3.713 1.00 1.12 O ATOM 1142 CB THR A 73 1.001 10.603 -6.380 1.00 1.16 C ATOM 1143 OG1 THR A 73 2.047 9.915 -7.068 1.00 1.84 O ATOM 1144 CG2 THR A 73 1.571 12.010 -6.198 1.00 1.41 C ATOM 0 H THR A 73 2.234 8.501 -5.884 1.00 0.90 H new ATOM 0 HA THR A 73 1.284 10.449 -4.228 1.00 0.98 H new ATOM 0 HB THR A 73 0.031 10.638 -6.877 1.00 1.16 H new ATOM 0 HG1 THR A 73 2.198 10.337 -7.939 1.00 1.84 H new ATOM 0 HG21 THR A 73 1.672 12.490 -7.171 1.00 1.41 H new ATOM 0 HG22 THR A 73 0.899 12.597 -5.572 1.00 1.41 H new ATOM 0 HG23 THR A 73 2.549 11.947 -5.721 1.00 1.41 H new ATOM 1152 N ASP A 74 -1.392 8.911 -5.366 1.00 0.77 N ATOM 1153 CA ASP A 74 -2.846 8.758 -5.031 1.00 0.79 C ATOM 1154 C ASP A 74 -3.036 7.926 -3.762 1.00 0.68 C ATOM 1155 O ASP A 74 -3.726 8.359 -2.871 1.00 0.77 O ATOM 1156 CB ASP A 74 -3.585 8.096 -6.196 1.00 1.03 C ATOM 1157 CG ASP A 74 -2.805 6.879 -6.676 1.00 1.48 C ATOM 1158 OD1 ASP A 74 -1.930 7.115 -7.492 1.00 2.18 O ATOM 1159 OD2 ASP A 74 -3.103 5.798 -6.199 1.00 2.92 O ATOM 0 H ASP A 74 -1.058 8.346 -6.147 1.00 0.77 H new ATOM 0 HA ASP A 74 -3.258 9.752 -4.855 1.00 0.79 H new ATOM 0 HB2 ASP A 74 -4.585 7.798 -5.882 1.00 1.03 H new ATOM 0 HB3 ASP A 74 -3.706 8.807 -7.013 1.00 1.03 H new ATOM 1164 N PHE A 75 -2.459 6.755 -3.701 1.00 0.62 N ATOM 1165 CA PHE A 75 -2.620 5.934 -2.457 1.00 0.61 C ATOM 1166 C PHE A 75 -2.296 6.811 -1.236 1.00 0.60 C ATOM 1167 O PHE A 75 -2.923 6.728 -0.206 1.00 0.71 O ATOM 1168 CB PHE A 75 -1.669 4.734 -2.536 1.00 0.74 C ATOM 1169 CG PHE A 75 -1.673 3.959 -1.208 1.00 0.71 C ATOM 1170 CD1 PHE A 75 -2.828 3.365 -0.729 1.00 0.73 C ATOM 1171 CD2 PHE A 75 -0.508 3.849 -0.472 1.00 0.81 C ATOM 1172 CE1 PHE A 75 -2.811 2.674 0.470 1.00 0.74 C ATOM 1173 CE2 PHE A 75 -0.493 3.160 0.721 1.00 0.88 C ATOM 1174 CZ PHE A 75 -1.643 2.577 1.195 1.00 0.79 C ATOM 0 H PHE A 75 -1.894 6.335 -4.439 1.00 0.62 H new ATOM 0 HA PHE A 75 -3.643 5.569 -2.362 1.00 0.61 H new ATOM 0 HB2 PHE A 75 -1.971 4.075 -3.350 1.00 0.74 H new ATOM 0 HB3 PHE A 75 -0.659 5.076 -2.762 1.00 0.74 H new ATOM 0 HD1 PHE A 75 -3.746 3.441 -1.293 1.00 0.73 H new ATOM 0 HD2 PHE A 75 0.400 4.308 -0.836 1.00 0.81 H new ATOM 0 HE1 PHE A 75 -3.714 2.210 0.838 1.00 0.74 H new ATOM 0 HE2 PHE A 75 0.425 3.078 1.285 1.00 0.88 H new ATOM 0 HZ PHE A 75 -1.632 2.044 2.134 1.00 0.79 H new ATOM 1184 N ALA A 76 -1.302 7.636 -1.420 1.00 0.65 N ATOM 1185 CA ALA A 76 -0.835 8.586 -0.371 1.00 0.78 C ATOM 1186 C ALA A 76 -1.975 9.519 0.047 1.00 0.80 C ATOM 1187 O ALA A 76 -2.423 9.491 1.178 1.00 0.86 O ATOM 1188 CB ALA A 76 0.327 9.398 -0.968 1.00 0.93 C ATOM 0 H ALA A 76 -0.774 7.691 -2.291 1.00 0.65 H new ATOM 0 HA ALA A 76 -0.507 8.045 0.516 1.00 0.78 H new ATOM 0 HB1 ALA A 76 0.695 10.106 -0.226 1.00 0.93 H new ATOM 0 HB2 ALA A 76 1.133 8.723 -1.256 1.00 0.93 H new ATOM 0 HB3 ALA A 76 -0.022 9.942 -1.846 1.00 0.93 H new ATOM 1194 N ALA A 77 -2.413 10.347 -0.865 1.00 0.87 N ATOM 1195 CA ALA A 77 -3.536 11.268 -0.523 1.00 1.03 C ATOM 1196 C ALA A 77 -4.719 10.424 -0.070 1.00 0.99 C ATOM 1197 O ALA A 77 -5.232 10.609 1.015 1.00 1.06 O ATOM 1198 CB ALA A 77 -3.924 12.083 -1.760 1.00 1.15 C ATOM 0 H ALA A 77 -2.050 10.425 -1.815 1.00 0.87 H new ATOM 0 HA ALA A 77 -3.238 11.954 0.270 1.00 1.03 H new ATOM 0 HB1 ALA A 77 -4.744 12.756 -1.510 1.00 1.15 H new ATOM 0 HB2 ALA A 77 -3.066 12.666 -2.095 1.00 1.15 H new ATOM 0 HB3 ALA A 77 -4.238 11.408 -2.556 1.00 1.15 H new ATOM 1204 N TRP A 78 -5.100 9.504 -0.917 1.00 0.93 N ATOM 1205 CA TRP A 78 -6.235 8.588 -0.604 1.00 0.93 C ATOM 1206 C TRP A 78 -6.158 8.142 0.861 1.00 0.85 C ATOM 1207 O TRP A 78 -7.140 8.198 1.589 1.00 0.91 O ATOM 1208 CB TRP A 78 -6.145 7.370 -1.527 1.00 0.99 C ATOM 1209 CG TRP A 78 -7.062 6.214 -1.156 1.00 1.02 C ATOM 1210 CD1 TRP A 78 -8.346 6.032 -1.569 1.00 1.11 C ATOM 1211 CD2 TRP A 78 -6.855 5.221 -0.236 1.00 1.10 C ATOM 1212 NE1 TRP A 78 -8.872 5.021 -0.946 1.00 1.17 N ATOM 1213 CE2 TRP A 78 -8.012 4.480 -0.106 1.00 1.16 C ATOM 1214 CE3 TRP A 78 -5.721 4.927 0.496 1.00 1.26 C ATOM 1215 CZ2 TRP A 78 -8.067 3.441 0.784 1.00 1.33 C ATOM 1216 CZ3 TRP A 78 -5.789 3.871 1.387 1.00 1.47 C ATOM 1217 CH2 TRP A 78 -6.950 3.134 1.531 1.00 1.49 C ATOM 0 H TRP A 78 -4.665 9.347 -1.826 1.00 0.93 H new ATOM 0 HA TRP A 78 -7.183 9.103 -0.760 1.00 0.93 H new ATOM 0 HB2 TRP A 78 -6.376 7.686 -2.544 1.00 0.99 H new ATOM 0 HB3 TRP A 78 -5.116 7.011 -1.531 1.00 0.99 H new ATOM 0 HD1 TRP A 78 -8.852 6.638 -2.305 1.00 1.11 H new ATOM 0 HE1 TRP A 78 -9.826 4.689 -1.088 1.00 1.17 H new ATOM 0 HE3 TRP A 78 -4.814 5.501 0.377 1.00 1.26 H new ATOM 0 HZ2 TRP A 78 -8.975 2.868 0.899 1.00 1.33 H new ATOM 0 HZ3 TRP A 78 -4.922 3.618 1.979 1.00 1.47 H new ATOM 0 HH2 TRP A 78 -6.982 2.313 2.232 1.00 1.49 H new ATOM 1228 N VAL A 79 -4.992 7.665 1.231 1.00 0.78 N ATOM 1229 CA VAL A 79 -4.773 7.217 2.631 1.00 0.81 C ATOM 1230 C VAL A 79 -5.276 8.304 3.569 1.00 0.90 C ATOM 1231 O VAL A 79 -6.197 8.081 4.323 1.00 0.98 O ATOM 1232 CB VAL A 79 -3.256 6.940 2.854 1.00 0.82 C ATOM 1233 CG1 VAL A 79 -2.822 7.236 4.301 1.00 1.02 C ATOM 1234 CG2 VAL A 79 -2.954 5.463 2.567 1.00 0.74 C ATOM 0 H VAL A 79 -4.184 7.569 0.616 1.00 0.78 H new ATOM 0 HA VAL A 79 -5.318 6.295 2.832 1.00 0.81 H new ATOM 0 HB VAL A 79 -2.708 7.596 2.178 1.00 0.82 H new ATOM 0 HG11 VAL A 79 -1.758 7.029 4.411 1.00 1.02 H new ATOM 0 HG12 VAL A 79 -3.014 8.284 4.531 1.00 1.02 H new ATOM 0 HG13 VAL A 79 -3.387 6.605 4.987 1.00 1.02 H new ATOM 0 HG21 VAL A 79 -1.892 5.272 2.724 1.00 0.74 H new ATOM 0 HG22 VAL A 79 -3.539 4.835 3.239 1.00 0.74 H new ATOM 0 HG23 VAL A 79 -3.216 5.232 1.534 1.00 0.74 H new ATOM 1244 N LYS A 80 -4.688 9.468 3.483 1.00 1.03 N ATOM 1245 CA LYS A 80 -5.106 10.584 4.385 1.00 1.24 C ATOM 1246 C LYS A 80 -6.614 10.856 4.329 1.00 1.38 C ATOM 1247 O LYS A 80 -7.257 11.075 5.358 1.00 1.88 O ATOM 1248 CB LYS A 80 -4.365 11.858 3.964 1.00 1.28 C ATOM 1249 CG LYS A 80 -4.473 12.893 5.099 1.00 1.44 C ATOM 1250 CD LYS A 80 -5.648 13.856 4.834 1.00 1.91 C ATOM 1251 CE LYS A 80 -6.103 14.544 6.134 1.00 2.27 C ATOM 1252 NZ LYS A 80 -7.077 13.698 6.881 1.00 2.86 N ATOM 0 H LYS A 80 -3.938 9.695 2.830 1.00 1.03 H new ATOM 0 HA LYS A 80 -4.860 10.292 5.406 1.00 1.24 H new ATOM 0 HB2 LYS A 80 -3.319 11.635 3.755 1.00 1.28 H new ATOM 0 HB3 LYS A 80 -4.795 12.259 3.046 1.00 1.28 H new ATOM 0 HG2 LYS A 80 -4.619 12.384 6.052 1.00 1.44 H new ATOM 0 HG3 LYS A 80 -3.543 13.456 5.177 1.00 1.44 H new ATOM 0 HD2 LYS A 80 -5.348 14.609 4.106 1.00 1.91 H new ATOM 0 HD3 LYS A 80 -6.482 13.306 4.398 1.00 1.91 H new ATOM 0 HE2 LYS A 80 -5.236 14.747 6.763 1.00 2.27 H new ATOM 0 HE3 LYS A 80 -6.559 15.506 5.899 1.00 2.27 H new ATOM 0 HZ1 LYS A 80 -7.887 14.280 7.177 1.00 2.86 H new ATOM 0 HZ2 LYS A 80 -7.410 12.927 6.267 1.00 2.86 H new ATOM 0 HZ3 LYS A 80 -6.615 13.296 7.721 1.00 2.86 H new ATOM 1266 N GLU A 81 -7.106 10.917 3.129 1.00 1.25 N ATOM 1267 CA GLU A 81 -8.550 11.203 2.900 1.00 1.38 C ATOM 1268 C GLU A 81 -9.485 10.226 3.607 1.00 1.51 C ATOM 1269 O GLU A 81 -10.294 10.615 4.423 1.00 2.27 O ATOM 1270 CB GLU A 81 -8.846 11.111 1.394 1.00 1.45 C ATOM 1271 CG GLU A 81 -7.993 12.107 0.589 1.00 2.02 C ATOM 1272 CD GLU A 81 -8.021 11.768 -0.921 1.00 2.92 C ATOM 1273 OE1 GLU A 81 -8.699 10.812 -1.285 1.00 3.72 O ATOM 1274 OE2 GLU A 81 -7.349 12.487 -1.637 1.00 3.74 O ATOM 0 H GLU A 81 -6.560 10.778 2.278 1.00 1.25 H new ATOM 0 HA GLU A 81 -8.733 12.198 3.304 1.00 1.38 H new ATOM 0 HB2 GLU A 81 -8.650 10.097 1.045 1.00 1.45 H new ATOM 0 HB3 GLU A 81 -9.903 11.310 1.217 1.00 1.45 H new ATOM 0 HG2 GLU A 81 -8.366 13.119 0.745 1.00 2.02 H new ATOM 0 HG3 GLU A 81 -6.965 12.086 0.951 1.00 2.02 H new ATOM 1281 N ASN A 82 -9.305 8.971 3.338 1.00 1.16 N ATOM 1282 CA ASN A 82 -10.234 7.968 3.930 1.00 1.26 C ATOM 1283 C ASN A 82 -9.815 7.439 5.293 1.00 1.28 C ATOM 1284 O ASN A 82 -10.667 7.060 6.068 1.00 1.48 O ATOM 1285 CB ASN A 82 -10.357 6.821 2.932 1.00 1.26 C ATOM 1286 CG ASN A 82 -10.810 7.417 1.597 1.00 1.37 C ATOM 1287 OD1 ASN A 82 -11.980 7.632 1.369 1.00 2.01 O ATOM 1288 ND2 ASN A 82 -9.912 7.744 0.717 1.00 1.47 N ATOM 0 H ASN A 82 -8.567 8.594 2.743 1.00 1.16 H new ATOM 0 HA ASN A 82 -11.187 8.465 4.111 1.00 1.26 H new ATOM 0 HB2 ASN A 82 -9.402 6.308 2.818 1.00 1.26 H new ATOM 0 HB3 ASN A 82 -11.076 6.081 3.285 1.00 1.26 H new ATOM 0 HD21 ASN A 82 -10.193 8.180 -0.161 1.00 1.47 H new ATOM 0 HD22 ASN A 82 -8.925 7.565 0.904 1.00 1.47 H new ATOM 1295 N LEU A 83 -8.552 7.428 5.601 1.00 1.17 N ATOM 1296 CA LEU A 83 -8.158 6.896 6.938 1.00 1.29 C ATOM 1297 C LEU A 83 -8.146 7.986 8.002 1.00 1.51 C ATOM 1298 O LEU A 83 -8.170 7.667 9.176 1.00 1.58 O ATOM 1299 CB LEU A 83 -6.754 6.284 6.864 1.00 1.24 C ATOM 1300 CG LEU A 83 -6.722 5.127 5.855 1.00 1.05 C ATOM 1301 CD1 LEU A 83 -5.348 4.467 5.917 1.00 1.10 C ATOM 1302 CD2 LEU A 83 -7.789 4.081 6.201 1.00 1.20 C ATOM 0 H LEU A 83 -7.790 7.754 5.006 1.00 1.17 H new ATOM 0 HA LEU A 83 -8.896 6.143 7.213 1.00 1.29 H new ATOM 0 HB2 LEU A 83 -6.033 7.048 6.573 1.00 1.24 H new ATOM 0 HB3 LEU A 83 -6.456 5.924 7.849 1.00 1.24 H new ATOM 0 HG LEU A 83 -6.921 5.517 4.857 1.00 1.05 H new ATOM 0 HD11 LEU A 83 -5.308 3.642 5.206 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -4.581 5.200 5.666 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -5.172 4.087 6.923 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -7.751 3.269 5.475 1.00 1.20 H new ATOM 0 HD22 LEU A 83 -7.600 3.685 7.199 1.00 1.20 H new ATOM 0 HD23 LEU A 83 -8.775 4.545 6.175 1.00 1.20 H new ATOM 1314 N ASP A 84 -8.083 9.225 7.601 1.00 1.78 N ATOM 1315 CA ASP A 84 -8.042 10.307 8.632 1.00 2.07 C ATOM 1316 C ASP A 84 -9.217 11.276 8.446 1.00 2.44 C ATOM 1317 O ASP A 84 -9.898 11.595 9.407 1.00 2.87 O ATOM 1318 CB ASP A 84 -6.678 11.005 8.486 1.00 2.80 C ATOM 1319 CG ASP A 84 -6.355 11.828 9.734 1.00 3.46 C ATOM 1320 OD1 ASP A 84 -5.973 11.186 10.710 1.00 4.32 O ATOM 1321 OD2 ASP A 84 -6.485 13.035 9.623 1.00 4.19 O ATOM 0 H ASP A 84 -8.058 9.534 6.629 1.00 1.78 H new ATOM 0 HA ASP A 84 -8.145 9.905 9.640 1.00 2.07 H new ATOM 0 HB2 ASP A 84 -5.899 10.261 8.324 1.00 2.80 H new ATOM 0 HB3 ASP A 84 -6.688 11.653 7.610 1.00 2.80 H new ATOM 1326 N ALA A 85 -9.402 11.685 7.206 1.00 2.82 N ATOM 1327 CA ALA A 85 -10.496 12.635 6.783 1.00 3.68 C ATOM 1328 C ALA A 85 -9.872 14.009 6.526 1.00 5.28 C ATOM 1329 O ALA A 85 -9.585 14.271 5.376 1.00 6.17 O ATOM 1330 CB ALA A 85 -11.610 12.774 7.838 1.00 3.84 C ATOM 0 H ALA A 85 -8.809 11.384 6.432 1.00 2.82 H new ATOM 0 HA ALA A 85 -10.958 12.230 5.883 1.00 3.68 H new ATOM 0 HB1 ALA A 85 -12.368 13.470 7.478 1.00 3.84 H new ATOM 0 HB2 ALA A 85 -12.066 11.800 8.016 1.00 3.84 H new ATOM 0 HB3 ALA A 85 -11.185 13.151 8.768 1.00 3.84 H new TER 1336 ALA A 85