USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 167:sc= -2.49 (180deg=-2.84!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 60:sc= 0.0726 USER MOD Single : A 11 SER OG : rot -139:sc= 1.24 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 107:sc= 1.32 USER MOD Single : A 24 ASN : amide:sc= 0.334 K(o=0.33,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.466 USER MOD Single : A 48 THR OG1 : rot 170:sc= -0.14 USER MOD Single : A 50 MET CE :methyl 160:sc= -0.162 (180deg=-0.912) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 1.39 (180deg=1.25) USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= 0.57 (180deg=-0.359!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -167:sc= -0.0134 (180deg=-0.252) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -1.21 (180deg=-1.21) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 2.23 (180deg=1.98) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 177:sc= -0.843 (180deg=-0.866) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 1.76 (180deg=1.67) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= 1.2 (180deg=-0.671!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= 0.336 (180deg=-0.694!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.809 -1.223 -2.452 1.00 13.79 N ATOM 2 CA GLY A 1 13.751 0.100 -1.816 1.00 12.90 C ATOM 3 C GLY A 1 14.893 0.193 -0.834 1.00 11.71 C ATOM 4 O GLY A 1 15.965 -0.332 -1.110 1.00 12.47 O ATOM 0 H1 GLY A 1 12.921 -1.402 -2.963 1.00 13.79 H new ATOM 0 H2 GLY A 1 14.605 -1.252 -3.120 1.00 13.79 H new ATOM 0 H3 GLY A 1 13.941 -1.953 -1.723 1.00 13.79 H new ATOM 0 HA2 GLY A 1 13.827 0.887 -2.566 1.00 12.90 H new ATOM 0 HA3 GLY A 1 12.797 0.237 -1.306 1.00 12.90 H new ATOM 10 N SER A 2 14.638 0.764 0.326 1.00 10.13 N ATOM 11 CA SER A 2 15.543 0.875 1.477 1.00 8.98 C ATOM 12 C SER A 2 14.815 1.132 2.802 1.00 7.14 C ATOM 13 O SER A 2 15.437 0.941 3.840 1.00 6.79 O ATOM 14 CB SER A 2 16.588 1.982 1.248 1.00 9.20 C ATOM 15 OG SER A 2 16.002 3.262 1.078 1.00 9.38 O ATOM 0 H SER A 2 13.733 1.196 0.513 1.00 10.13 H new ATOM 0 HA SER A 2 16.035 -0.094 1.559 1.00 8.98 H new ATOM 0 HB2 SER A 2 17.273 2.010 2.096 1.00 9.20 H new ATOM 0 HB3 SER A 2 17.181 1.739 0.367 1.00 9.20 H new ATOM 0 HG SER A 2 16.707 3.928 0.938 1.00 9.38 H new ATOM 21 N PHE A 3 13.538 1.547 2.790 1.00 6.35 N ATOM 22 CA PHE A 3 12.916 2.229 3.928 1.00 4.78 C ATOM 23 C PHE A 3 11.378 2.117 3.953 1.00 3.95 C ATOM 24 O PHE A 3 10.682 3.023 4.414 1.00 3.85 O ATOM 25 CB PHE A 3 13.450 3.677 4.006 1.00 5.24 C ATOM 26 CG PHE A 3 14.138 3.965 5.325 1.00 5.64 C ATOM 27 CD1 PHE A 3 13.393 4.451 6.413 1.00 6.03 C ATOM 28 CD2 PHE A 3 15.511 3.686 5.479 1.00 6.47 C ATOM 29 CE1 PHE A 3 14.019 4.670 7.652 1.00 6.91 C ATOM 30 CE2 PHE A 3 16.137 3.908 6.720 1.00 7.42 C ATOM 31 CZ PHE A 3 15.391 4.402 7.807 1.00 7.50 C ATOM 0 H PHE A 3 12.914 1.418 1.994 1.00 6.35 H new ATOM 0 HA PHE A 3 13.209 1.715 4.843 1.00 4.78 H new ATOM 0 HB2 PHE A 3 14.150 3.848 3.188 1.00 5.24 H new ATOM 0 HB3 PHE A 3 12.624 4.375 3.870 1.00 5.24 H new ATOM 0 HD1 PHE A 3 12.339 4.656 6.297 1.00 6.03 H new ATOM 0 HD2 PHE A 3 16.082 3.303 4.646 1.00 6.47 H new ATOM 0 HE1 PHE A 3 13.445 5.045 8.487 1.00 6.91 H new ATOM 0 HE2 PHE A 3 17.190 3.699 6.838 1.00 7.42 H new ATOM 0 HZ PHE A 3 15.872 4.575 8.759 1.00 7.50 H new ATOM 41 N THR A 4 10.835 0.983 3.490 1.00 4.00 N ATOM 42 CA THR A 4 9.412 0.620 3.616 1.00 3.68 C ATOM 43 C THR A 4 9.035 0.266 5.053 1.00 2.54 C ATOM 44 O THR A 4 8.731 -0.885 5.362 1.00 3.16 O ATOM 45 CB THR A 4 9.019 -0.497 2.645 1.00 5.13 C ATOM 46 OG1 THR A 4 9.922 -1.570 2.793 1.00 5.59 O ATOM 47 CG2 THR A 4 9.023 -0.034 1.194 1.00 6.21 C ATOM 0 H THR A 4 11.384 0.273 3.005 1.00 4.00 H new ATOM 0 HA THR A 4 8.840 1.506 3.342 1.00 3.68 H new ATOM 0 HB THR A 4 8.002 -0.805 2.887 1.00 5.13 H new ATOM 0 HG1 THR A 4 9.890 -1.899 3.716 1.00 5.59 H new ATOM 0 HG21 THR A 4 8.738 -0.863 0.547 1.00 6.21 H new ATOM 0 HG22 THR A 4 8.313 0.784 1.071 1.00 6.21 H new ATOM 0 HG23 THR A 4 10.022 0.310 0.924 1.00 6.21 H new ATOM 55 N GLU A 5 9.019 1.280 5.918 1.00 1.46 N ATOM 56 CA GLU A 5 8.556 1.195 7.306 1.00 1.16 C ATOM 57 C GLU A 5 7.010 1.168 7.330 1.00 1.13 C ATOM 58 O GLU A 5 6.328 2.177 7.522 1.00 1.40 O ATOM 59 CB GLU A 5 9.229 2.287 8.178 1.00 1.98 C ATOM 60 CG GLU A 5 9.060 3.733 7.681 1.00 3.13 C ATOM 61 CD GLU A 5 9.949 4.762 8.375 1.00 3.89 C ATOM 62 OE1 GLU A 5 10.053 4.782 9.616 1.00 4.61 O ATOM 63 OE2 GLU A 5 10.449 5.668 7.674 1.00 4.54 O ATOM 0 H GLU A 5 9.338 2.215 5.665 1.00 1.46 H new ATOM 0 HA GLU A 5 8.870 0.260 7.770 1.00 1.16 H new ATOM 0 HB2 GLU A 5 8.825 2.220 9.188 1.00 1.98 H new ATOM 0 HB3 GLU A 5 10.294 2.067 8.245 1.00 1.98 H new ATOM 0 HG2 GLU A 5 9.266 3.760 6.611 1.00 3.13 H new ATOM 0 HG3 GLU A 5 8.019 4.027 7.813 1.00 3.13 H new ATOM 70 N GLY A 6 6.453 -0.004 6.997 1.00 1.15 N ATOM 71 CA GLY A 6 5.031 -0.330 7.125 1.00 1.30 C ATOM 72 C GLY A 6 4.744 -1.835 7.125 1.00 0.93 C ATOM 73 O GLY A 6 5.475 -2.608 6.510 1.00 1.45 O ATOM 0 H GLY A 6 7.001 -0.776 6.618 1.00 1.15 H new ATOM 0 HA2 GLY A 6 4.649 0.104 8.049 1.00 1.30 H new ATOM 0 HA3 GLY A 6 4.485 0.135 6.305 1.00 1.30 H new ATOM 77 N TRP A 7 3.635 -2.251 7.740 1.00 1.11 N ATOM 78 CA TRP A 7 3.109 -3.616 7.732 1.00 0.85 C ATOM 79 C TRP A 7 2.253 -3.964 6.495 1.00 0.67 C ATOM 80 O TRP A 7 1.597 -3.104 5.896 1.00 0.59 O ATOM 81 CB TRP A 7 2.318 -3.892 9.037 1.00 1.38 C ATOM 82 CG TRP A 7 1.060 -3.102 9.319 1.00 1.57 C ATOM 83 CD1 TRP A 7 0.755 -1.914 8.774 1.00 1.43 C ATOM 84 CD2 TRP A 7 -0.092 -3.397 10.178 1.00 3.61 C ATOM 85 NE1 TRP A 7 -0.431 -1.417 9.261 1.00 1.53 N ATOM 86 CE2 TRP A 7 -1.018 -2.311 10.119 1.00 2.98 C ATOM 87 CE3 TRP A 7 -0.500 -4.511 10.928 1.00 6.18 C ATOM 88 CZ2 TRP A 7 -2.247 -2.309 10.797 1.00 4.62 C ATOM 89 CZ3 TRP A 7 -1.756 -4.552 11.564 1.00 7.92 C ATOM 90 CH2 TRP A 7 -2.622 -3.448 11.522 1.00 7.10 C ATOM 0 H TRP A 7 3.052 -1.614 8.283 1.00 1.11 H new ATOM 0 HA TRP A 7 3.979 -4.270 7.675 1.00 0.85 H new ATOM 0 HB2 TRP A 7 2.049 -4.948 9.040 1.00 1.38 H new ATOM 0 HB3 TRP A 7 2.999 -3.733 9.873 1.00 1.38 H new ATOM 0 HD1 TRP A 7 1.367 -1.409 8.041 1.00 1.43 H new ATOM 0 HE1 TRP A 7 -0.821 -0.507 9.017 1.00 1.53 H new ATOM 0 HE3 TRP A 7 0.165 -5.357 11.020 1.00 6.18 H new ATOM 0 HZ2 TRP A 7 -2.893 -1.444 10.761 1.00 4.62 H new ATOM 0 HZ3 TRP A 7 -2.057 -5.445 12.091 1.00 7.92 H new ATOM 0 HH2 TRP A 7 -3.568 -3.476 12.043 1.00 7.10 H new ATOM 101 N VAL A 8 2.149 -5.261 6.186 1.00 1.02 N ATOM 102 CA VAL A 8 1.142 -5.819 5.244 1.00 1.39 C ATOM 103 C VAL A 8 -0.193 -6.082 5.983 1.00 1.71 C ATOM 104 O VAL A 8 -0.734 -7.190 6.011 1.00 3.02 O ATOM 105 CB VAL A 8 1.667 -7.061 4.474 1.00 1.59 C ATOM 106 CG1 VAL A 8 0.802 -7.380 3.242 1.00 2.23 C ATOM 107 CG2 VAL A 8 3.106 -6.811 3.990 1.00 1.49 C ATOM 0 H VAL A 8 2.765 -5.971 6.582 1.00 1.02 H new ATOM 0 HA VAL A 8 0.950 -5.073 4.473 1.00 1.39 H new ATOM 0 HB VAL A 8 1.628 -7.903 5.165 1.00 1.59 H new ATOM 0 HG11 VAL A 8 1.204 -8.256 2.732 1.00 2.23 H new ATOM 0 HG12 VAL A 8 -0.221 -7.582 3.558 1.00 2.23 H new ATOM 0 HG13 VAL A 8 0.810 -6.528 2.562 1.00 2.23 H new ATOM 0 HG21 VAL A 8 3.466 -7.687 3.451 1.00 1.49 H new ATOM 0 HG22 VAL A 8 3.122 -5.946 3.327 1.00 1.49 H new ATOM 0 HG23 VAL A 8 3.751 -6.623 4.848 1.00 1.49 H new ATOM 117 N ARG A 9 -0.697 -5.007 6.609 1.00 1.42 N ATOM 118 CA ARG A 9 -1.812 -4.946 7.572 1.00 1.50 C ATOM 119 C ARG A 9 -2.040 -6.238 8.393 1.00 1.50 C ATOM 120 O ARG A 9 -1.139 -6.678 9.096 1.00 2.52 O ATOM 121 CB ARG A 9 -3.061 -4.322 6.926 1.00 1.69 C ATOM 122 CG ARG A 9 -3.938 -3.608 7.969 1.00 1.72 C ATOM 123 CD ARG A 9 -5.276 -3.105 7.405 1.00 2.59 C ATOM 124 NE ARG A 9 -6.419 -3.917 7.864 1.00 2.91 N ATOM 125 CZ ARG A 9 -6.807 -5.095 7.386 1.00 4.20 C ATOM 126 NH1 ARG A 9 -6.231 -5.657 6.343 1.00 5.16 N ATOM 127 NH2 ARG A 9 -7.781 -5.758 7.968 1.00 5.25 N ATOM 0 H ARG A 9 -0.304 -4.081 6.442 1.00 1.42 H new ATOM 0 HA ARG A 9 -1.515 -4.259 8.364 1.00 1.50 H new ATOM 0 HB2 ARG A 9 -2.758 -3.612 6.157 1.00 1.69 H new ATOM 0 HB3 ARG A 9 -3.643 -5.099 6.431 1.00 1.69 H new ATOM 0 HG2 ARG A 9 -4.135 -4.291 8.795 1.00 1.72 H new ATOM 0 HG3 ARG A 9 -3.385 -2.763 8.379 1.00 1.72 H new ATOM 0 HD2 ARG A 9 -5.427 -2.068 7.704 1.00 2.59 H new ATOM 0 HD3 ARG A 9 -5.237 -3.120 6.316 1.00 2.59 H new ATOM 0 HE ARG A 9 -6.971 -3.533 8.631 1.00 2.91 H new ATOM 0 HH11 ARG A 9 -5.458 -5.187 5.872 1.00 5.16 H new ATOM 0 HH12 ARG A 9 -6.558 -6.563 6.006 1.00 5.16 H new ATOM 0 HH21 ARG A 9 -8.243 -5.369 8.790 1.00 5.25 H new ATOM 0 HH22 ARG A 9 -8.075 -6.662 7.598 1.00 5.25 H new ATOM 141 N PHE A 10 -3.230 -6.846 8.317 1.00 1.07 N ATOM 142 CA PHE A 10 -3.608 -8.058 9.041 1.00 1.10 C ATOM 143 C PHE A 10 -4.899 -8.622 8.439 1.00 0.95 C ATOM 144 O PHE A 10 -5.859 -7.874 8.265 1.00 0.99 O ATOM 145 CB PHE A 10 -3.806 -7.744 10.536 1.00 1.44 C ATOM 146 CG PHE A 10 -4.369 -8.920 11.310 1.00 1.58 C ATOM 147 CD1 PHE A 10 -3.565 -10.048 11.560 1.00 2.37 C ATOM 148 CD2 PHE A 10 -5.722 -8.928 11.698 1.00 2.72 C ATOM 149 CE1 PHE A 10 -4.116 -11.182 12.182 1.00 2.52 C ATOM 150 CE2 PHE A 10 -6.273 -10.063 12.319 1.00 2.81 C ATOM 151 CZ PHE A 10 -5.472 -11.195 12.556 1.00 1.93 C ATOM 0 H PHE A 10 -3.982 -6.491 7.726 1.00 1.07 H new ATOM 0 HA PHE A 10 -2.814 -8.799 8.949 1.00 1.10 H new ATOM 0 HB2 PHE A 10 -2.851 -7.451 10.971 1.00 1.44 H new ATOM 0 HB3 PHE A 10 -4.478 -6.892 10.638 1.00 1.44 H new ATOM 0 HD1 PHE A 10 -2.524 -10.042 11.274 1.00 2.37 H new ATOM 0 HD2 PHE A 10 -6.339 -8.060 11.518 1.00 2.72 H new ATOM 0 HE1 PHE A 10 -3.496 -12.046 12.373 1.00 2.52 H new ATOM 0 HE2 PHE A 10 -7.312 -10.066 12.614 1.00 2.81 H new ATOM 0 HZ PHE A 10 -5.897 -12.071 13.024 1.00 1.93 H new ATOM 161 N SER A 11 -4.935 -9.920 8.142 1.00 0.98 N ATOM 162 CA SER A 11 -6.061 -10.604 7.489 1.00 1.00 C ATOM 163 C SER A 11 -5.789 -12.115 7.401 1.00 1.09 C ATOM 164 O SER A 11 -4.672 -12.482 7.037 1.00 1.24 O ATOM 165 CB SER A 11 -6.262 -10.102 6.047 1.00 1.19 C ATOM 166 OG SER A 11 -7.110 -8.967 5.925 1.00 2.16 O ATOM 0 H SER A 11 -4.160 -10.548 8.354 1.00 0.98 H new ATOM 0 HA SER A 11 -6.947 -10.395 8.088 1.00 1.00 H new ATOM 0 HB2 SER A 11 -5.288 -9.858 5.623 1.00 1.19 H new ATOM 0 HB3 SER A 11 -6.676 -10.914 5.449 1.00 1.19 H new ATOM 0 HG SER A 11 -7.690 -9.075 5.143 1.00 2.16 H new ATOM 172 N PRO A 12 -6.782 -12.991 7.655 1.00 1.16 N ATOM 173 CA PRO A 12 -6.701 -14.401 7.289 1.00 1.26 C ATOM 174 C PRO A 12 -7.078 -14.624 5.812 1.00 1.11 C ATOM 175 O PRO A 12 -6.454 -15.435 5.131 1.00 1.25 O ATOM 176 CB PRO A 12 -7.684 -15.100 8.234 1.00 1.55 C ATOM 177 CG PRO A 12 -8.766 -14.047 8.481 1.00 1.55 C ATOM 178 CD PRO A 12 -8.016 -12.717 8.385 1.00 1.30 C ATOM 0 HA PRO A 12 -5.689 -14.794 7.387 1.00 1.26 H new ATOM 0 HB2 PRO A 12 -8.099 -16.002 7.784 1.00 1.55 H new ATOM 0 HB3 PRO A 12 -7.200 -15.401 9.163 1.00 1.55 H new ATOM 0 HG2 PRO A 12 -9.562 -14.111 7.739 1.00 1.55 H new ATOM 0 HG3 PRO A 12 -9.231 -14.174 9.459 1.00 1.55 H new ATOM 0 HD2 PRO A 12 -8.616 -11.969 7.866 1.00 1.30 H new ATOM 0 HD3 PRO A 12 -7.800 -12.320 9.377 1.00 1.30 H new ATOM 186 N GLY A 13 -8.087 -13.895 5.320 1.00 0.98 N ATOM 187 CA GLY A 13 -8.696 -14.035 3.995 1.00 0.98 C ATOM 188 C GLY A 13 -10.139 -13.510 3.993 1.00 1.08 C ATOM 189 O GLY A 13 -10.635 -13.142 5.058 1.00 1.19 O ATOM 0 H GLY A 13 -8.523 -13.152 5.866 1.00 0.98 H new ATOM 0 HA2 GLY A 13 -8.105 -13.488 3.260 1.00 0.98 H new ATOM 0 HA3 GLY A 13 -8.686 -15.083 3.696 1.00 0.98 H new ATOM 193 N PRO A 14 -10.817 -13.431 2.829 1.00 1.13 N ATOM 194 CA PRO A 14 -10.304 -13.709 1.486 1.00 1.11 C ATOM 195 C PRO A 14 -9.446 -12.557 0.926 1.00 0.96 C ATOM 196 O PRO A 14 -9.006 -12.626 -0.219 1.00 1.00 O ATOM 197 CB PRO A 14 -11.565 -13.915 0.642 1.00 1.32 C ATOM 198 CG PRO A 14 -12.552 -12.928 1.261 1.00 1.34 C ATOM 199 CD PRO A 14 -12.209 -13.005 2.751 1.00 1.28 C ATOM 0 HA PRO A 14 -9.639 -14.573 1.483 1.00 1.11 H new ATOM 0 HB2 PRO A 14 -11.386 -13.701 -0.412 1.00 1.32 H new ATOM 0 HB3 PRO A 14 -11.928 -14.941 0.701 1.00 1.32 H new ATOM 0 HG2 PRO A 14 -12.420 -11.921 0.866 1.00 1.34 H new ATOM 0 HG3 PRO A 14 -13.586 -13.213 1.068 1.00 1.34 H new ATOM 0 HD2 PRO A 14 -12.347 -12.037 3.232 1.00 1.28 H new ATOM 0 HD3 PRO A 14 -12.861 -13.712 3.264 1.00 1.28 H new ATOM 207 N ASN A 15 -9.217 -11.486 1.698 1.00 0.88 N ATOM 208 CA ASN A 15 -8.512 -10.296 1.251 1.00 0.70 C ATOM 209 C ASN A 15 -7.777 -9.560 2.377 1.00 0.57 C ATOM 210 O ASN A 15 -8.072 -9.683 3.567 1.00 0.79 O ATOM 211 CB ASN A 15 -9.487 -9.362 0.523 1.00 0.88 C ATOM 212 CG ASN A 15 -10.563 -8.720 1.401 1.00 1.30 C ATOM 213 OD1 ASN A 15 -10.958 -9.220 2.445 1.00 2.01 O ATOM 214 ND2 ASN A 15 -11.063 -7.573 0.988 1.00 1.69 N ATOM 0 H ASN A 15 -9.526 -11.430 2.668 1.00 0.88 H new ATOM 0 HA ASN A 15 -7.734 -10.624 0.562 1.00 0.70 H new ATOM 0 HB2 ASN A 15 -8.913 -8.569 0.043 1.00 0.88 H new ATOM 0 HB3 ASN A 15 -9.978 -9.925 -0.271 1.00 0.88 H new ATOM 0 HD21 ASN A 15 -11.780 -7.101 1.539 1.00 1.69 H new ATOM 0 HD22 ASN A 15 -10.733 -7.157 0.117 1.00 1.69 H new ATOM 221 N ALA A 16 -6.829 -8.736 1.952 1.00 0.39 N ATOM 222 CA ALA A 16 -5.953 -7.904 2.769 1.00 0.38 C ATOM 223 C ALA A 16 -5.726 -6.526 2.137 1.00 0.38 C ATOM 224 O ALA A 16 -6.324 -6.177 1.121 1.00 0.38 O ATOM 225 CB ALA A 16 -4.640 -8.670 3.017 1.00 0.42 C ATOM 0 H ALA A 16 -6.638 -8.623 0.957 1.00 0.39 H new ATOM 0 HA ALA A 16 -6.427 -7.704 3.730 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -3.973 -8.061 3.627 1.00 0.42 H new ATOM 0 HB2 ALA A 16 -4.856 -9.603 3.537 1.00 0.42 H new ATOM 0 HB3 ALA A 16 -4.160 -8.888 2.063 1.00 0.42 H new ATOM 231 N ALA A 17 -4.872 -5.732 2.775 1.00 0.50 N ATOM 232 CA ALA A 17 -4.428 -4.416 2.343 1.00 0.52 C ATOM 233 C ALA A 17 -2.982 -4.215 2.822 1.00 0.59 C ATOM 234 O ALA A 17 -2.653 -4.723 3.894 1.00 0.73 O ATOM 235 CB ALA A 17 -5.345 -3.355 2.972 1.00 0.56 C ATOM 0 H ALA A 17 -4.447 -6.009 3.660 1.00 0.50 H new ATOM 0 HA ALA A 17 -4.470 -4.327 1.257 1.00 0.52 H new ATOM 0 HB1 ALA A 17 -5.023 -2.363 2.656 1.00 0.56 H new ATOM 0 HB2 ALA A 17 -6.372 -3.524 2.648 1.00 0.56 H new ATOM 0 HB3 ALA A 17 -5.291 -3.425 4.058 1.00 0.56 H new ATOM 241 N ALA A 18 -2.146 -3.477 2.095 1.00 0.62 N ATOM 242 CA ALA A 18 -0.757 -3.213 2.479 1.00 0.65 C ATOM 243 C ALA A 18 -0.536 -1.703 2.641 1.00 0.49 C ATOM 244 O ALA A 18 -0.859 -0.925 1.743 1.00 0.54 O ATOM 245 CB ALA A 18 0.185 -3.830 1.437 1.00 0.82 C ATOM 0 H ALA A 18 -2.415 -3.040 1.213 1.00 0.62 H new ATOM 0 HA ALA A 18 -0.538 -3.675 3.441 1.00 0.65 H new ATOM 0 HB1 ALA A 18 1.219 -3.635 1.721 1.00 0.82 H new ATOM 0 HB2 ALA A 18 0.019 -4.906 1.388 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -0.013 -3.388 0.461 1.00 0.82 H new ATOM 251 N TYR A 19 0.006 -1.294 3.791 1.00 0.53 N ATOM 252 CA TYR A 19 0.221 0.107 4.170 1.00 0.66 C ATOM 253 C TYR A 19 1.727 0.376 4.316 1.00 0.76 C ATOM 254 O TYR A 19 2.266 0.383 5.420 1.00 1.23 O ATOM 255 CB TYR A 19 -0.552 0.413 5.468 1.00 0.88 C ATOM 256 CG TYR A 19 -2.060 0.549 5.329 1.00 1.12 C ATOM 257 CD1 TYR A 19 -2.887 -0.591 5.251 1.00 1.97 C ATOM 258 CD2 TYR A 19 -2.647 1.826 5.311 1.00 2.26 C ATOM 259 CE1 TYR A 19 -4.288 -0.449 5.194 1.00 2.11 C ATOM 260 CE2 TYR A 19 -4.047 1.974 5.261 1.00 2.64 C ATOM 261 CZ TYR A 19 -4.874 0.833 5.226 1.00 1.89 C ATOM 262 OH TYR A 19 -6.225 0.970 5.155 1.00 2.33 O ATOM 0 H TYR A 19 0.318 -1.949 4.508 1.00 0.53 H new ATOM 0 HA TYR A 19 -0.159 0.772 3.394 1.00 0.66 H new ATOM 0 HB2 TYR A 19 -0.343 -0.379 6.187 1.00 0.88 H new ATOM 0 HB3 TYR A 19 -0.161 1.338 5.891 1.00 0.88 H new ATOM 0 HD1 TYR A 19 -2.445 -1.576 5.235 1.00 1.97 H new ATOM 0 HD2 TYR A 19 -2.018 2.703 5.336 1.00 2.26 H new ATOM 0 HE1 TYR A 19 -4.915 -1.326 5.126 1.00 2.11 H new ATOM 0 HE2 TYR A 19 -4.486 2.961 5.249 1.00 2.64 H new ATOM 0 HH TYR A 19 -6.460 1.921 5.191 1.00 2.33 H new ATOM 272 N LEU A 20 2.418 0.561 3.183 1.00 0.90 N ATOM 273 CA LEU A 20 3.864 0.815 3.147 1.00 0.98 C ATOM 274 C LEU A 20 4.206 2.294 3.406 1.00 1.13 C ATOM 275 O LEU A 20 3.422 3.185 3.069 1.00 1.16 O ATOM 276 CB LEU A 20 4.452 0.234 1.839 1.00 1.17 C ATOM 277 CG LEU A 20 4.090 0.893 0.488 1.00 1.35 C ATOM 278 CD1 LEU A 20 5.013 2.057 0.118 1.00 2.41 C ATOM 279 CD2 LEU A 20 4.192 -0.156 -0.629 1.00 1.46 C ATOM 0 H LEU A 20 1.986 0.538 2.259 1.00 0.90 H new ATOM 0 HA LEU A 20 4.348 0.294 3.973 1.00 0.98 H new ATOM 0 HB2 LEU A 20 5.538 0.252 1.932 1.00 1.17 H new ATOM 0 HB3 LEU A 20 4.154 -0.813 1.783 1.00 1.17 H new ATOM 0 HG LEU A 20 3.078 1.284 0.595 1.00 1.35 H new ATOM 0 HD11 LEU A 20 4.705 2.475 -0.840 1.00 2.41 H new ATOM 0 HD12 LEU A 20 4.953 2.828 0.886 1.00 2.41 H new ATOM 0 HD13 LEU A 20 6.040 1.698 0.044 1.00 2.41 H new ATOM 0 HD21 LEU A 20 3.938 0.304 -1.584 1.00 1.46 H new ATOM 0 HD22 LEU A 20 5.210 -0.543 -0.672 1.00 1.46 H new ATOM 0 HD23 LEU A 20 3.501 -0.974 -0.424 1.00 1.46 H new ATOM 291 N THR A 21 5.401 2.563 3.943 1.00 1.39 N ATOM 292 CA THR A 21 6.037 3.880 3.798 1.00 1.46 C ATOM 293 C THR A 21 6.760 3.897 2.470 1.00 1.56 C ATOM 294 O THR A 21 7.477 2.950 2.175 1.00 1.67 O ATOM 295 CB THR A 21 6.982 4.195 4.953 1.00 1.49 C ATOM 296 OG1 THR A 21 6.154 4.446 6.057 1.00 1.88 O ATOM 297 CG2 THR A 21 7.836 5.440 4.706 1.00 1.69 C ATOM 0 H THR A 21 5.947 1.890 4.481 1.00 1.39 H new ATOM 0 HA THR A 21 5.274 4.658 3.824 1.00 1.46 H new ATOM 0 HB THR A 21 7.672 3.363 5.092 1.00 1.49 H new ATOM 0 HG1 THR A 21 6.204 3.692 6.681 1.00 1.88 H new ATOM 0 HG21 THR A 21 8.487 5.611 5.564 1.00 1.69 H new ATOM 0 HG22 THR A 21 8.443 5.293 3.813 1.00 1.69 H new ATOM 0 HG23 THR A 21 7.187 6.304 4.565 1.00 1.69 H new ATOM 305 N LEU A 22 6.554 4.934 1.662 1.00 1.68 N ATOM 306 CA LEU A 22 7.195 5.049 0.347 1.00 1.87 C ATOM 307 C LEU A 22 8.445 5.918 0.448 1.00 1.39 C ATOM 308 O LEU A 22 8.387 7.001 1.035 1.00 1.23 O ATOM 309 CB LEU A 22 6.191 5.623 -0.670 1.00 2.42 C ATOM 310 CG LEU A 22 6.614 5.566 -2.144 1.00 2.90 C ATOM 311 CD1 LEU A 22 7.208 4.215 -2.553 1.00 3.14 C ATOM 312 CD2 LEU A 22 5.374 5.907 -2.986 1.00 4.36 C ATOM 0 H LEU A 22 5.942 5.716 1.895 1.00 1.68 H new ATOM 0 HA LEU A 22 7.503 4.062 0.002 1.00 1.87 H new ATOM 0 HB2 LEU A 22 5.249 5.085 -0.563 1.00 2.42 H new ATOM 0 HB3 LEU A 22 5.996 6.663 -0.409 1.00 2.42 H new ATOM 0 HG LEU A 22 7.416 6.285 -2.312 1.00 2.90 H new ATOM 0 HD11 LEU A 22 7.486 4.244 -3.607 1.00 3.14 H new ATOM 0 HD12 LEU A 22 8.092 4.009 -1.950 1.00 3.14 H new ATOM 0 HD13 LEU A 22 6.469 3.430 -2.394 1.00 3.14 H new ATOM 0 HD21 LEU A 22 5.633 5.877 -4.044 1.00 4.36 H new ATOM 0 HD22 LEU A 22 4.587 5.181 -2.785 1.00 4.36 H new ATOM 0 HD23 LEU A 22 5.021 6.905 -2.727 1.00 4.36 H new ATOM 324 N GLU A 23 9.557 5.475 -0.132 1.00 1.40 N ATOM 325 CA GLU A 23 10.854 6.131 -0.044 1.00 1.30 C ATOM 326 C GLU A 23 11.445 6.437 -1.428 1.00 1.17 C ATOM 327 O GLU A 23 11.549 5.570 -2.295 1.00 1.31 O ATOM 328 CB GLU A 23 11.800 5.296 0.846 1.00 1.93 C ATOM 329 CG GLU A 23 12.445 4.026 0.258 1.00 3.21 C ATOM 330 CD GLU A 23 11.549 2.794 0.076 1.00 5.10 C ATOM 331 OE1 GLU A 23 10.373 2.901 -0.324 1.00 6.20 O ATOM 332 OE2 GLU A 23 12.099 1.687 0.291 1.00 6.10 O ATOM 0 H GLU A 23 9.579 4.623 -0.693 1.00 1.40 H new ATOM 0 HA GLU A 23 10.723 7.104 0.429 1.00 1.30 H new ATOM 0 HB2 GLU A 23 12.605 5.952 1.178 1.00 1.93 H new ATOM 0 HB3 GLU A 23 11.242 5.001 1.735 1.00 1.93 H new ATOM 0 HG2 GLU A 23 12.866 4.282 -0.714 1.00 3.21 H new ATOM 0 HG3 GLU A 23 13.278 3.743 0.901 1.00 3.21 H new ATOM 339 N ASN A 24 11.868 7.686 -1.640 1.00 1.11 N ATOM 340 CA ASN A 24 12.588 8.094 -2.842 1.00 1.06 C ATOM 341 C ASN A 24 14.078 8.342 -2.522 1.00 1.26 C ATOM 342 O ASN A 24 14.434 9.408 -2.010 1.00 1.50 O ATOM 343 CB ASN A 24 11.930 9.334 -3.460 1.00 1.05 C ATOM 344 CG ASN A 24 12.455 9.563 -4.873 1.00 1.08 C ATOM 345 OD1 ASN A 24 13.479 9.021 -5.275 1.00 1.64 O ATOM 346 ND2 ASN A 24 11.777 10.357 -5.676 1.00 1.08 N ATOM 0 H ASN A 24 11.718 8.445 -0.976 1.00 1.11 H new ATOM 0 HA ASN A 24 12.538 7.289 -3.575 1.00 1.06 H new ATOM 0 HB2 ASN A 24 10.848 9.206 -3.483 1.00 1.05 H new ATOM 0 HB3 ASN A 24 12.135 10.209 -2.842 1.00 1.05 H new ATOM 0 HD21 ASN A 24 12.104 10.519 -6.628 1.00 1.08 H new ATOM 0 HD22 ASN A 24 10.925 10.810 -5.345 1.00 1.08 H new ATOM 353 N PRO A 25 14.969 7.377 -2.814 1.00 1.30 N ATOM 354 CA PRO A 25 16.410 7.541 -2.634 1.00 1.50 C ATOM 355 C PRO A 25 17.090 8.302 -3.783 1.00 1.50 C ATOM 356 O PRO A 25 18.242 8.706 -3.628 1.00 1.69 O ATOM 357 CB PRO A 25 16.943 6.108 -2.537 1.00 1.66 C ATOM 358 CG PRO A 25 15.999 5.331 -3.452 1.00 1.52 C ATOM 359 CD PRO A 25 14.657 6.005 -3.200 1.00 1.30 C ATOM 0 HA PRO A 25 16.624 8.144 -1.752 1.00 1.50 H new ATOM 0 HB2 PRO A 25 17.978 6.038 -2.871 1.00 1.66 H new ATOM 0 HB3 PRO A 25 16.913 5.734 -1.514 1.00 1.66 H new ATOM 0 HG2 PRO A 25 16.298 5.403 -4.498 1.00 1.52 H new ATOM 0 HG3 PRO A 25 15.973 4.271 -3.200 1.00 1.52 H new ATOM 0 HD2 PRO A 25 14.034 5.982 -4.094 1.00 1.30 H new ATOM 0 HD3 PRO A 25 14.104 5.493 -2.413 1.00 1.30 H new ATOM 367 N GLY A 26 16.411 8.506 -4.921 1.00 1.36 N ATOM 368 CA GLY A 26 16.965 9.136 -6.113 1.00 1.39 C ATOM 369 C GLY A 26 16.884 10.655 -6.052 1.00 1.38 C ATOM 370 O GLY A 26 16.460 11.249 -5.065 1.00 1.68 O ATOM 0 H GLY A 26 15.436 8.228 -5.034 1.00 1.36 H new ATOM 0 HA2 GLY A 26 18.006 8.834 -6.231 1.00 1.39 H new ATOM 0 HA3 GLY A 26 16.428 8.780 -6.992 1.00 1.39 H new ATOM 374 N ASP A 27 17.381 11.278 -7.110 1.00 1.40 N ATOM 375 CA ASP A 27 17.538 12.723 -7.292 1.00 1.77 C ATOM 376 C ASP A 27 16.485 13.304 -8.252 1.00 1.75 C ATOM 377 O ASP A 27 16.430 14.501 -8.516 1.00 2.03 O ATOM 378 CB ASP A 27 18.961 12.893 -7.819 1.00 2.11 C ATOM 379 CG ASP A 27 19.962 12.567 -6.710 1.00 2.59 C ATOM 380 OD1 ASP A 27 20.161 13.410 -5.810 1.00 3.23 O ATOM 381 OD2 ASP A 27 20.356 11.384 -6.610 1.00 3.15 O ATOM 0 H ASP A 27 17.709 10.756 -7.923 1.00 1.40 H new ATOM 0 HA ASP A 27 17.383 13.271 -6.362 1.00 1.77 H new ATOM 0 HB2 ASP A 27 19.124 12.237 -8.674 1.00 2.11 H new ATOM 0 HB3 ASP A 27 19.110 13.915 -8.169 1.00 2.11 H new ATOM 386 N LEU A 28 15.618 12.416 -8.740 1.00 1.48 N ATOM 387 CA LEU A 28 14.471 12.654 -9.605 1.00 1.41 C ATOM 388 C LEU A 28 13.199 12.069 -8.954 1.00 1.27 C ATOM 389 O LEU A 28 13.315 11.230 -8.053 1.00 1.23 O ATOM 390 CB LEU A 28 14.823 12.096 -11.001 1.00 1.44 C ATOM 391 CG LEU A 28 15.154 10.590 -11.103 1.00 2.15 C ATOM 392 CD1 LEU A 28 13.908 9.687 -11.124 1.00 2.93 C ATOM 393 CD2 LEU A 28 15.946 10.333 -12.395 1.00 2.69 C ATOM 0 H LEU A 28 15.713 11.425 -8.518 1.00 1.48 H new ATOM 0 HA LEU A 28 14.246 13.713 -9.736 1.00 1.41 H new ATOM 0 HB2 LEU A 28 13.985 12.302 -11.667 1.00 1.44 H new ATOM 0 HB3 LEU A 28 15.678 12.655 -11.381 1.00 1.44 H new ATOM 0 HG LEU A 28 15.729 10.340 -10.211 1.00 2.15 H new ATOM 0 HD11 LEU A 28 14.216 8.644 -11.197 1.00 2.93 H new ATOM 0 HD12 LEU A 28 13.337 9.834 -10.207 1.00 2.93 H new ATOM 0 HD13 LEU A 28 13.288 9.943 -11.983 1.00 2.93 H new ATOM 0 HD21 LEU A 28 16.182 9.272 -12.472 1.00 2.69 H new ATOM 0 HD22 LEU A 28 15.348 10.635 -13.255 1.00 2.69 H new ATOM 0 HD23 LEU A 28 16.871 10.910 -12.376 1.00 2.69 H new ATOM 405 N PRO A 29 11.986 12.488 -9.362 1.00 1.25 N ATOM 406 CA PRO A 29 10.758 12.050 -8.717 1.00 1.13 C ATOM 407 C PRO A 29 10.411 10.610 -9.116 1.00 1.04 C ATOM 408 O PRO A 29 10.603 10.191 -10.260 1.00 1.07 O ATOM 409 CB PRO A 29 9.685 13.058 -9.130 1.00 1.17 C ATOM 410 CG PRO A 29 10.166 13.541 -10.498 1.00 1.29 C ATOM 411 CD PRO A 29 11.693 13.449 -10.412 1.00 1.39 C ATOM 0 HA PRO A 29 10.851 12.026 -7.631 1.00 1.13 H new ATOM 0 HB2 PRO A 29 8.700 12.595 -9.190 1.00 1.17 H new ATOM 0 HB3 PRO A 29 9.609 13.879 -8.417 1.00 1.17 H new ATOM 0 HG2 PRO A 29 9.774 12.917 -11.301 1.00 1.29 H new ATOM 0 HG3 PRO A 29 9.839 14.561 -10.698 1.00 1.29 H new ATOM 0 HD2 PRO A 29 12.117 13.127 -11.363 1.00 1.39 H new ATOM 0 HD3 PRO A 29 12.129 14.421 -10.182 1.00 1.39 H new ATOM 419 N LEU A 30 9.873 9.861 -8.151 1.00 1.01 N ATOM 420 CA LEU A 30 9.299 8.533 -8.349 1.00 0.93 C ATOM 421 C LEU A 30 7.777 8.625 -8.319 1.00 0.93 C ATOM 422 O LEU A 30 7.181 9.428 -7.601 1.00 1.03 O ATOM 423 CB LEU A 30 9.784 7.552 -7.264 1.00 0.94 C ATOM 424 CG LEU A 30 11.083 6.768 -7.556 1.00 0.91 C ATOM 425 CD1 LEU A 30 12.201 7.592 -8.213 1.00 1.97 C ATOM 426 CD2 LEU A 30 11.596 6.100 -6.278 1.00 2.46 C ATOM 0 H LEU A 30 9.824 10.174 -7.181 1.00 1.01 H new ATOM 0 HA LEU A 30 9.626 8.157 -9.318 1.00 0.93 H new ATOM 0 HB2 LEU A 30 9.927 8.113 -6.340 1.00 0.94 H new ATOM 0 HB3 LEU A 30 8.988 6.831 -7.079 1.00 0.94 H new ATOM 0 HG LEU A 30 10.808 6.015 -8.295 1.00 0.91 H new ATOM 0 HD11 LEU A 30 13.071 6.957 -8.379 1.00 1.97 H new ATOM 0 HD12 LEU A 30 11.851 7.984 -9.168 1.00 1.97 H new ATOM 0 HD13 LEU A 30 12.475 8.420 -7.559 1.00 1.97 H new ATOM 0 HD21 LEU A 30 12.512 5.551 -6.497 1.00 2.46 H new ATOM 0 HD22 LEU A 30 11.801 6.862 -5.526 1.00 2.46 H new ATOM 0 HD23 LEU A 30 10.841 5.411 -5.900 1.00 2.46 H new ATOM 438 N ARG A 31 7.180 7.706 -9.069 1.00 0.84 N ATOM 439 CA ARG A 31 5.740 7.623 -9.317 1.00 0.78 C ATOM 440 C ARG A 31 5.270 6.180 -9.211 1.00 0.70 C ATOM 441 O ARG A 31 5.457 5.393 -10.139 1.00 0.63 O ATOM 442 CB ARG A 31 5.406 8.230 -10.685 1.00 0.85 C ATOM 443 CG ARG A 31 3.884 8.373 -10.853 1.00 0.89 C ATOM 444 CD ARG A 31 3.491 9.277 -12.027 1.00 0.94 C ATOM 445 NE ARG A 31 3.972 10.643 -11.791 1.00 1.53 N ATOM 446 CZ ARG A 31 4.027 11.663 -12.627 1.00 1.53 C ATOM 447 NH1 ARG A 31 3.526 11.596 -13.847 1.00 1.67 N ATOM 448 NH2 ARG A 31 4.606 12.769 -12.227 1.00 2.32 N ATOM 0 H ARG A 31 7.703 6.968 -9.541 1.00 0.84 H new ATOM 0 HA ARG A 31 5.209 8.199 -8.559 1.00 0.78 H new ATOM 0 HB2 ARG A 31 5.882 9.206 -10.783 1.00 0.85 H new ATOM 0 HB3 ARG A 31 5.808 7.599 -11.478 1.00 0.85 H new ATOM 0 HG2 ARG A 31 3.446 7.386 -11.000 1.00 0.89 H new ATOM 0 HG3 ARG A 31 3.459 8.776 -9.934 1.00 0.89 H new ATOM 0 HD2 ARG A 31 3.914 8.889 -12.953 1.00 0.94 H new ATOM 0 HD3 ARG A 31 2.408 9.280 -12.148 1.00 0.94 H new ATOM 0 HE ARG A 31 4.312 10.831 -10.848 1.00 1.53 H new ATOM 0 HH11 ARG A 31 3.080 10.737 -14.169 1.00 1.67 H new ATOM 0 HH12 ARG A 31 3.585 12.403 -14.468 1.00 1.67 H new ATOM 0 HH21 ARG A 31 5.001 12.827 -11.288 1.00 2.32 H new ATOM 0 HH22 ARG A 31 4.661 13.571 -12.854 1.00 2.32 H new ATOM 462 N LEU A 32 4.740 5.801 -8.056 1.00 0.77 N ATOM 463 CA LEU A 32 4.325 4.434 -7.757 1.00 0.65 C ATOM 464 C LEU A 32 2.950 4.205 -8.391 1.00 0.62 C ATOM 465 O LEU A 32 1.988 4.839 -7.981 1.00 0.65 O ATOM 466 CB LEU A 32 4.354 4.259 -6.226 1.00 0.62 C ATOM 467 CG LEU A 32 4.352 2.796 -5.733 1.00 0.71 C ATOM 468 CD1 LEU A 32 4.241 2.717 -4.210 1.00 1.79 C ATOM 469 CD2 LEU A 32 3.216 1.971 -6.314 1.00 1.68 C ATOM 0 H LEU A 32 4.583 6.448 -7.283 1.00 0.77 H new ATOM 0 HA LEU A 32 4.991 3.680 -8.176 1.00 0.65 H new ATOM 0 HB2 LEU A 32 5.242 4.756 -5.836 1.00 0.62 H new ATOM 0 HB3 LEU A 32 3.490 4.770 -5.801 1.00 0.62 H new ATOM 0 HG LEU A 32 5.303 2.386 -6.075 1.00 0.71 H new ATOM 0 HD11 LEU A 32 4.243 1.672 -3.899 1.00 1.79 H new ATOM 0 HD12 LEU A 32 5.088 3.232 -3.756 1.00 1.79 H new ATOM 0 HD13 LEU A 32 3.313 3.190 -3.888 1.00 1.79 H new ATOM 0 HD21 LEU A 32 3.271 0.953 -5.928 1.00 1.68 H new ATOM 0 HD22 LEU A 32 2.262 2.415 -6.031 1.00 1.68 H new ATOM 0 HD23 LEU A 32 3.299 1.952 -7.401 1.00 1.68 H new ATOM 481 N VAL A 33 2.855 3.303 -9.363 1.00 0.60 N ATOM 482 CA VAL A 33 1.622 3.012 -10.118 1.00 0.59 C ATOM 483 C VAL A 33 0.885 1.760 -9.591 1.00 0.62 C ATOM 484 O VAL A 33 -0.340 1.696 -9.661 1.00 0.75 O ATOM 485 CB VAL A 33 1.918 2.866 -11.634 1.00 0.62 C ATOM 486 CG1 VAL A 33 2.435 4.184 -12.242 1.00 0.60 C ATOM 487 CG2 VAL A 33 2.955 1.780 -11.985 1.00 0.73 C ATOM 0 H VAL A 33 3.648 2.735 -9.661 1.00 0.60 H new ATOM 0 HA VAL A 33 0.959 3.864 -9.968 1.00 0.59 H new ATOM 0 HB VAL A 33 0.954 2.577 -12.053 1.00 0.62 H new ATOM 0 HG11 VAL A 33 2.631 4.042 -13.305 1.00 0.60 H new ATOM 0 HG12 VAL A 33 1.684 4.964 -12.112 1.00 0.60 H new ATOM 0 HG13 VAL A 33 3.356 4.480 -11.739 1.00 0.60 H new ATOM 0 HG21 VAL A 33 3.098 1.749 -13.065 1.00 0.73 H new ATOM 0 HG22 VAL A 33 3.903 2.012 -11.500 1.00 0.73 H new ATOM 0 HG23 VAL A 33 2.598 0.810 -11.639 1.00 0.73 H new ATOM 497 N GLY A 34 1.617 0.765 -9.059 1.00 0.56 N ATOM 498 CA GLY A 34 1.060 -0.442 -8.437 1.00 0.67 C ATOM 499 C GLY A 34 2.016 -1.140 -7.475 1.00 0.63 C ATOM 500 O GLY A 34 3.185 -0.782 -7.370 1.00 0.46 O ATOM 0 H GLY A 34 2.637 0.782 -9.051 1.00 0.56 H new ATOM 0 HA2 GLY A 34 0.150 -0.175 -7.899 1.00 0.67 H new ATOM 0 HA3 GLY A 34 0.773 -1.143 -9.221 1.00 0.67 H new ATOM 504 N ALA A 35 1.550 -2.209 -6.836 1.00 0.89 N ATOM 505 CA ALA A 35 2.400 -3.116 -6.065 1.00 0.87 C ATOM 506 C ALA A 35 2.243 -4.553 -6.564 1.00 0.91 C ATOM 507 O ALA A 35 1.242 -4.894 -7.188 1.00 1.25 O ATOM 508 CB ALA A 35 2.048 -3.006 -4.574 1.00 0.89 C ATOM 0 H ALA A 35 0.565 -2.474 -6.838 1.00 0.89 H new ATOM 0 HA ALA A 35 3.444 -2.832 -6.199 1.00 0.87 H new ATOM 0 HB1 ALA A 35 2.682 -3.682 -4.000 1.00 0.89 H new ATOM 0 HB2 ALA A 35 2.210 -1.982 -4.236 1.00 0.89 H new ATOM 0 HB3 ALA A 35 1.002 -3.276 -4.426 1.00 0.89 H new ATOM 514 N ARG A 36 3.228 -5.391 -6.248 1.00 0.70 N ATOM 515 CA ARG A 36 3.203 -6.852 -6.373 1.00 0.68 C ATOM 516 C ARG A 36 3.677 -7.460 -5.048 1.00 0.64 C ATOM 517 O ARG A 36 4.401 -6.811 -4.295 1.00 0.68 O ATOM 518 CB ARG A 36 4.125 -7.288 -7.532 1.00 0.80 C ATOM 519 CG ARG A 36 3.384 -7.623 -8.837 1.00 1.39 C ATOM 520 CD ARG A 36 2.665 -8.982 -8.793 1.00 2.20 C ATOM 521 NE ARG A 36 2.272 -9.401 -10.152 1.00 2.79 N ATOM 522 CZ ARG A 36 2.230 -10.638 -10.640 1.00 3.52 C ATOM 523 NH1 ARG A 36 2.295 -11.709 -9.871 1.00 4.10 N ATOM 524 NH2 ARG A 36 2.111 -10.813 -11.941 1.00 4.47 N ATOM 0 H ARG A 36 4.116 -5.053 -5.877 1.00 0.70 H new ATOM 0 HA ARG A 36 2.193 -7.199 -6.591 1.00 0.68 H new ATOM 0 HB2 ARG A 36 4.843 -6.492 -7.729 1.00 0.80 H new ATOM 0 HB3 ARG A 36 4.696 -8.161 -7.218 1.00 0.80 H new ATOM 0 HG2 ARG A 36 2.655 -6.840 -9.045 1.00 1.39 H new ATOM 0 HG3 ARG A 36 4.096 -7.622 -9.662 1.00 1.39 H new ATOM 0 HD2 ARG A 36 3.319 -9.732 -8.349 1.00 2.20 H new ATOM 0 HD3 ARG A 36 1.782 -8.913 -8.157 1.00 2.20 H new ATOM 0 HE ARG A 36 2.001 -8.655 -10.792 1.00 2.79 H new ATOM 0 HH11 ARG A 36 2.381 -11.606 -8.860 1.00 4.10 H new ATOM 0 HH12 ARG A 36 2.259 -12.639 -10.288 1.00 4.10 H new ATOM 0 HH21 ARG A 36 2.052 -10.005 -12.561 1.00 4.47 H new ATOM 0 HH22 ARG A 36 2.078 -11.756 -12.328 1.00 4.47 H new ATOM 538 N THR A 37 3.304 -8.711 -4.781 1.00 0.64 N ATOM 539 CA THR A 37 3.729 -9.517 -3.621 1.00 0.57 C ATOM 540 C THR A 37 3.367 -10.977 -3.881 1.00 0.59 C ATOM 541 O THR A 37 2.368 -11.211 -4.571 1.00 0.71 O ATOM 542 CB THR A 37 3.125 -8.984 -2.314 1.00 0.71 C ATOM 543 OG1 THR A 37 3.483 -9.808 -1.240 1.00 0.84 O ATOM 544 CG2 THR A 37 1.599 -8.868 -2.319 1.00 0.88 C ATOM 0 H THR A 37 2.667 -9.221 -5.393 1.00 0.64 H new ATOM 0 HA THR A 37 4.809 -9.443 -3.497 1.00 0.57 H new ATOM 0 HB THR A 37 3.532 -7.978 -2.212 1.00 0.71 H new ATOM 0 HG1 THR A 37 4.364 -9.542 -0.903 1.00 0.84 H new ATOM 0 HG21 THR A 37 1.260 -8.484 -1.357 1.00 0.88 H new ATOM 0 HG22 THR A 37 1.288 -8.187 -3.111 1.00 0.88 H new ATOM 0 HG23 THR A 37 1.160 -9.851 -2.492 1.00 0.88 H new ATOM 552 N PRO A 38 4.135 -11.960 -3.377 1.00 0.60 N ATOM 553 CA PRO A 38 3.868 -13.360 -3.670 1.00 0.69 C ATOM 554 C PRO A 38 2.640 -13.912 -2.950 1.00 0.69 C ATOM 555 O PRO A 38 2.097 -14.916 -3.393 1.00 0.89 O ATOM 556 CB PRO A 38 5.149 -14.108 -3.299 1.00 0.77 C ATOM 557 CG PRO A 38 5.820 -13.228 -2.248 1.00 0.76 C ATOM 558 CD PRO A 38 5.389 -11.818 -2.645 1.00 0.66 C ATOM 0 HA PRO A 38 3.618 -13.488 -4.723 1.00 0.69 H new ATOM 0 HB2 PRO A 38 4.928 -15.099 -2.903 1.00 0.77 H new ATOM 0 HB3 PRO A 38 5.792 -14.248 -4.168 1.00 0.77 H new ATOM 0 HG2 PRO A 38 5.490 -13.481 -1.241 1.00 0.76 H new ATOM 0 HG3 PRO A 38 6.904 -13.337 -2.265 1.00 0.76 H new ATOM 0 HD2 PRO A 38 5.255 -11.191 -1.764 1.00 0.66 H new ATOM 0 HD3 PRO A 38 6.148 -11.340 -3.264 1.00 0.66 H new ATOM 566 N VAL A 39 2.183 -13.268 -1.872 1.00 0.64 N ATOM 567 CA VAL A 39 1.058 -13.758 -1.052 1.00 0.65 C ATOM 568 C VAL A 39 -0.337 -13.260 -1.464 1.00 0.58 C ATOM 569 O VAL A 39 -1.293 -13.487 -0.720 1.00 0.69 O ATOM 570 CB VAL A 39 1.288 -13.473 0.450 1.00 0.68 C ATOM 571 CG1 VAL A 39 2.604 -14.088 0.952 1.00 0.85 C ATOM 572 CG2 VAL A 39 1.220 -11.959 0.714 1.00 0.67 C ATOM 0 H VAL A 39 2.580 -12.390 -1.538 1.00 0.64 H new ATOM 0 HA VAL A 39 1.053 -14.831 -1.241 1.00 0.65 H new ATOM 0 HB VAL A 39 0.491 -13.953 1.018 1.00 0.68 H new ATOM 0 HG11 VAL A 39 2.729 -13.865 2.012 1.00 0.85 H new ATOM 0 HG12 VAL A 39 2.579 -15.168 0.809 1.00 0.85 H new ATOM 0 HG13 VAL A 39 3.439 -13.667 0.392 1.00 0.85 H new ATOM 0 HG21 VAL A 39 1.383 -11.767 1.774 1.00 0.67 H new ATOM 0 HG22 VAL A 39 1.990 -11.453 0.131 1.00 0.67 H new ATOM 0 HG23 VAL A 39 0.239 -11.583 0.424 1.00 0.67 H new ATOM 582 N ALA A 40 -0.504 -12.646 -2.646 1.00 0.54 N ATOM 583 CA ALA A 40 -1.828 -12.273 -3.164 1.00 0.51 C ATOM 584 C ALA A 40 -1.927 -12.242 -4.692 1.00 0.65 C ATOM 585 O ALA A 40 -0.938 -12.093 -5.405 1.00 0.90 O ATOM 586 CB ALA A 40 -2.245 -10.927 -2.554 1.00 0.65 C ATOM 0 H ALA A 40 0.268 -12.396 -3.264 1.00 0.54 H new ATOM 0 HA ALA A 40 -2.519 -13.060 -2.861 1.00 0.51 H new ATOM 0 HB1 ALA A 40 -3.227 -10.644 -2.934 1.00 0.65 H new ATOM 0 HB2 ALA A 40 -2.288 -11.017 -1.469 1.00 0.65 H new ATOM 0 HB3 ALA A 40 -1.517 -10.163 -2.826 1.00 0.65 H new ATOM 592 N GLU A 41 -3.156 -12.419 -5.181 1.00 0.72 N ATOM 593 CA GLU A 41 -3.445 -12.695 -6.587 1.00 0.81 C ATOM 594 C GLU A 41 -3.716 -11.436 -7.419 1.00 0.84 C ATOM 595 O GLU A 41 -3.259 -11.325 -8.555 1.00 1.10 O ATOM 596 CB GLU A 41 -4.689 -13.588 -6.605 1.00 0.89 C ATOM 597 CG GLU A 41 -4.805 -14.386 -7.904 1.00 1.01 C ATOM 598 CD GLU A 41 -6.000 -15.319 -7.800 1.00 2.21 C ATOM 599 OE1 GLU A 41 -5.949 -16.184 -6.899 1.00 3.08 O ATOM 600 OE2 GLU A 41 -6.963 -15.120 -8.567 1.00 3.38 O ATOM 0 H GLU A 41 -3.993 -12.373 -4.599 1.00 0.72 H new ATOM 0 HA GLU A 41 -2.571 -13.166 -7.037 1.00 0.81 H new ATOM 0 HB2 GLU A 41 -4.654 -14.275 -5.760 1.00 0.89 H new ATOM 0 HB3 GLU A 41 -5.579 -12.972 -6.478 1.00 0.89 H new ATOM 0 HG2 GLU A 41 -4.925 -13.712 -8.752 1.00 1.01 H new ATOM 0 HG3 GLU A 41 -3.894 -14.958 -8.078 1.00 1.01 H new ATOM 607 N ARG A 42 -4.510 -10.513 -6.869 1.00 0.80 N ATOM 608 CA ARG A 42 -5.100 -9.379 -7.587 1.00 1.03 C ATOM 609 C ARG A 42 -5.004 -8.156 -6.683 1.00 1.20 C ATOM 610 O ARG A 42 -5.439 -8.205 -5.538 1.00 1.57 O ATOM 611 CB ARG A 42 -6.564 -9.695 -7.941 1.00 1.24 C ATOM 612 CG ARG A 42 -6.711 -10.860 -8.935 1.00 1.76 C ATOM 613 CD ARG A 42 -8.129 -11.438 -8.939 1.00 2.65 C ATOM 614 NE ARG A 42 -8.117 -12.806 -9.473 1.00 4.01 N ATOM 615 CZ ARG A 42 -8.324 -13.226 -10.709 1.00 4.63 C ATOM 616 NH1 ARG A 42 -8.685 -12.417 -11.678 1.00 4.44 N ATOM 617 NH2 ARG A 42 -8.153 -14.500 -10.963 1.00 6.10 N ATOM 0 H ARG A 42 -4.768 -10.535 -5.882 1.00 0.80 H new ATOM 0 HA ARG A 42 -4.569 -9.186 -8.519 1.00 1.03 H new ATOM 0 HB2 ARG A 42 -7.108 -9.935 -7.027 1.00 1.24 H new ATOM 0 HB3 ARG A 42 -7.029 -8.804 -8.364 1.00 1.24 H new ATOM 0 HG2 ARG A 42 -6.458 -10.515 -9.937 1.00 1.76 H new ATOM 0 HG3 ARG A 42 -6.000 -11.646 -8.679 1.00 1.76 H new ATOM 0 HD2 ARG A 42 -8.532 -11.439 -7.926 1.00 2.65 H new ATOM 0 HD3 ARG A 42 -8.784 -10.810 -9.543 1.00 2.65 H new ATOM 0 HE ARG A 42 -7.920 -13.538 -8.791 1.00 4.01 H new ATOM 0 HH11 ARG A 42 -8.816 -11.423 -11.490 1.00 4.44 H new ATOM 0 HH12 ARG A 42 -8.834 -12.782 -12.618 1.00 4.44 H new ATOM 0 HH21 ARG A 42 -7.868 -15.135 -10.217 1.00 6.10 H new ATOM 0 HH22 ARG A 42 -8.305 -14.857 -11.906 1.00 6.10 H new ATOM 631 N VAL A 43 -4.370 -7.102 -7.182 1.00 1.05 N ATOM 632 CA VAL A 43 -3.923 -5.940 -6.408 1.00 0.93 C ATOM 633 C VAL A 43 -4.475 -4.663 -7.041 1.00 0.99 C ATOM 634 O VAL A 43 -4.378 -4.490 -8.255 1.00 1.21 O ATOM 635 CB VAL A 43 -2.378 -5.902 -6.283 1.00 1.04 C ATOM 636 CG1 VAL A 43 -1.639 -5.963 -7.635 1.00 1.29 C ATOM 637 CG2 VAL A 43 -1.868 -4.711 -5.446 1.00 1.22 C ATOM 0 H VAL A 43 -4.142 -7.026 -8.173 1.00 1.05 H new ATOM 0 HA VAL A 43 -4.312 -6.019 -5.393 1.00 0.93 H new ATOM 0 HB VAL A 43 -2.136 -6.819 -5.746 1.00 1.04 H new ATOM 0 HG11 VAL A 43 -0.563 -5.932 -7.463 1.00 1.29 H new ATOM 0 HG12 VAL A 43 -1.898 -6.888 -8.150 1.00 1.29 H new ATOM 0 HG13 VAL A 43 -1.933 -5.112 -8.249 1.00 1.29 H new ATOM 0 HG21 VAL A 43 -0.780 -4.741 -5.396 1.00 1.22 H new ATOM 0 HG22 VAL A 43 -2.184 -3.777 -5.911 1.00 1.22 H new ATOM 0 HG23 VAL A 43 -2.279 -4.772 -4.438 1.00 1.22 H new ATOM 647 N GLU A 44 -5.036 -3.790 -6.208 1.00 0.85 N ATOM 648 CA GLU A 44 -5.436 -2.427 -6.560 1.00 0.72 C ATOM 649 C GLU A 44 -4.685 -1.431 -5.674 1.00 0.52 C ATOM 650 O GLU A 44 -4.273 -1.760 -4.561 1.00 0.62 O ATOM 651 CB GLU A 44 -6.932 -2.200 -6.315 1.00 1.07 C ATOM 652 CG GLU A 44 -7.879 -3.082 -7.128 1.00 1.22 C ATOM 653 CD GLU A 44 -9.294 -2.881 -6.596 1.00 2.03 C ATOM 654 OE1 GLU A 44 -9.904 -1.844 -6.950 1.00 3.10 O ATOM 655 OE2 GLU A 44 -9.708 -3.685 -5.731 1.00 2.73 O ATOM 0 H GLU A 44 -5.232 -4.019 -5.234 1.00 0.85 H new ATOM 0 HA GLU A 44 -5.208 -2.284 -7.616 1.00 0.72 H new ATOM 0 HB2 GLU A 44 -7.136 -2.359 -5.256 1.00 1.07 H new ATOM 0 HB3 GLU A 44 -7.162 -1.157 -6.530 1.00 1.07 H new ATOM 0 HG2 GLU A 44 -7.830 -2.819 -8.185 1.00 1.22 H new ATOM 0 HG3 GLU A 44 -7.587 -4.129 -7.046 1.00 1.22 H new ATOM 662 N LEU A 45 -4.577 -0.191 -6.145 1.00 0.54 N ATOM 663 CA LEU A 45 -4.089 0.954 -5.377 1.00 0.51 C ATOM 664 C LEU A 45 -5.283 1.843 -5.008 1.00 0.48 C ATOM 665 O LEU A 45 -5.961 2.382 -5.885 1.00 0.54 O ATOM 666 CB LEU A 45 -3.047 1.690 -6.238 1.00 0.67 C ATOM 667 CG LEU A 45 -2.554 3.025 -5.650 1.00 0.54 C ATOM 668 CD1 LEU A 45 -1.787 2.891 -4.332 1.00 0.66 C ATOM 669 CD2 LEU A 45 -1.645 3.695 -6.680 1.00 0.95 C ATOM 0 H LEU A 45 -4.834 0.053 -7.101 1.00 0.54 H new ATOM 0 HA LEU A 45 -3.609 0.651 -4.446 1.00 0.51 H new ATOM 0 HB2 LEU A 45 -2.189 1.034 -6.385 1.00 0.67 H new ATOM 0 HB3 LEU A 45 -3.476 1.878 -7.222 1.00 0.67 H new ATOM 0 HG LEU A 45 -3.442 3.616 -5.427 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.477 3.878 -3.989 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.431 2.432 -3.582 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -0.906 2.267 -4.485 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -1.284 4.644 -6.284 1.00 0.95 H new ATOM 0 HD22 LEU A 45 -0.797 3.045 -6.894 1.00 0.95 H new ATOM 0 HD23 LEU A 45 -2.205 3.875 -7.598 1.00 0.95 H new ATOM 681 N HIS A 46 -5.541 1.997 -3.708 1.00 0.43 N ATOM 682 CA HIS A 46 -6.687 2.722 -3.157 1.00 0.42 C ATOM 683 C HIS A 46 -6.291 3.926 -2.287 1.00 0.41 C ATOM 684 O HIS A 46 -5.320 3.909 -1.523 1.00 0.48 O ATOM 685 CB HIS A 46 -7.551 1.778 -2.300 1.00 0.45 C ATOM 686 CG HIS A 46 -8.349 0.699 -2.988 1.00 0.53 C ATOM 687 ND1 HIS A 46 -9.106 -0.259 -2.328 1.00 0.62 N ATOM 688 CD2 HIS A 46 -8.465 0.462 -4.326 1.00 0.60 C ATOM 689 CE1 HIS A 46 -9.632 -1.061 -3.252 1.00 0.73 C ATOM 690 NE2 HIS A 46 -9.298 -0.627 -4.476 1.00 0.73 N ATOM 0 H HIS A 46 -4.937 1.607 -2.985 1.00 0.43 H new ATOM 0 HA HIS A 46 -7.240 3.097 -4.018 1.00 0.42 H new ATOM 0 HB2 HIS A 46 -6.894 1.293 -1.578 1.00 0.45 H new ATOM 0 HB3 HIS A 46 -8.249 2.393 -1.732 1.00 0.45 H new ATOM 0 HD2 HIS A 46 -7.993 1.022 -5.120 1.00 0.60 H new ATOM 0 HE1 HIS A 46 -10.237 -1.931 -3.046 1.00 0.73 H new ATOM 0 HE2 HIS A 46 -9.605 -1.031 -5.361 1.00 0.73 H new ATOM 698 N GLU A 47 -7.157 4.931 -2.344 1.00 0.49 N ATOM 699 CA GLU A 47 -7.281 6.018 -1.377 1.00 0.55 C ATOM 700 C GLU A 47 -8.265 5.634 -0.251 1.00 0.54 C ATOM 701 O GLU A 47 -8.895 4.571 -0.282 1.00 0.55 O ATOM 702 CB GLU A 47 -7.724 7.296 -2.109 1.00 0.63 C ATOM 703 CG GLU A 47 -9.167 7.213 -2.661 1.00 0.66 C ATOM 704 CD GLU A 47 -9.786 8.550 -3.068 1.00 1.11 C ATOM 705 OE1 GLU A 47 -9.803 9.457 -2.209 1.00 1.70 O ATOM 706 OE2 GLU A 47 -10.368 8.588 -4.177 1.00 2.37 O ATOM 0 H GLU A 47 -7.829 5.015 -3.107 1.00 0.49 H new ATOM 0 HA GLU A 47 -6.315 6.204 -0.907 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -7.651 8.142 -1.426 1.00 0.63 H new ATOM 0 HB3 GLU A 47 -7.037 7.492 -2.933 1.00 0.63 H new ATOM 0 HG2 GLU A 47 -9.170 6.551 -3.527 1.00 0.66 H new ATOM 0 HG3 GLU A 47 -9.802 6.752 -1.905 1.00 0.66 H new ATOM 713 N THR A 48 -8.443 6.504 0.743 1.00 0.76 N ATOM 714 CA THR A 48 -9.418 6.368 1.836 1.00 0.68 C ATOM 715 C THR A 48 -9.738 7.792 2.295 1.00 0.64 C ATOM 716 O THR A 48 -8.844 8.633 2.308 1.00 0.74 O ATOM 717 CB THR A 48 -8.823 5.505 2.955 1.00 0.74 C ATOM 718 OG1 THR A 48 -8.496 4.247 2.400 1.00 0.97 O ATOM 719 CG2 THR A 48 -9.786 5.278 4.118 1.00 0.77 C ATOM 0 H THR A 48 -7.892 7.359 0.816 1.00 0.76 H new ATOM 0 HA THR A 48 -10.334 5.867 1.524 1.00 0.68 H new ATOM 0 HB THR A 48 -7.955 6.030 3.353 1.00 0.74 H new ATOM 0 HG1 THR A 48 -7.969 3.732 3.046 1.00 0.97 H new ATOM 0 HG21 THR A 48 -9.303 4.660 4.875 1.00 0.77 H new ATOM 0 HG22 THR A 48 -10.062 6.238 4.555 1.00 0.77 H new ATOM 0 HG23 THR A 48 -10.682 4.774 3.756 1.00 0.77 H new ATOM 727 N PHE A 49 -10.996 8.093 2.624 1.00 0.61 N ATOM 728 CA PHE A 49 -11.450 9.481 2.776 1.00 0.65 C ATOM 729 C PHE A 49 -12.639 9.654 3.730 1.00 0.72 C ATOM 730 O PHE A 49 -13.265 8.694 4.179 1.00 0.77 O ATOM 731 CB PHE A 49 -11.760 10.068 1.384 1.00 0.65 C ATOM 732 CG PHE A 49 -12.872 9.370 0.617 1.00 0.65 C ATOM 733 CD1 PHE A 49 -14.223 9.606 0.941 1.00 1.88 C ATOM 734 CD2 PHE A 49 -12.553 8.508 -0.447 1.00 1.93 C ATOM 735 CE1 PHE A 49 -15.247 8.979 0.212 1.00 1.81 C ATOM 736 CE2 PHE A 49 -13.576 7.901 -1.194 1.00 2.10 C ATOM 737 CZ PHE A 49 -14.922 8.136 -0.870 1.00 0.90 C ATOM 0 H PHE A 49 -11.721 7.395 2.791 1.00 0.61 H new ATOM 0 HA PHE A 49 -10.636 10.033 3.245 1.00 0.65 H new ATOM 0 HB2 PHE A 49 -12.026 11.118 1.502 1.00 0.65 H new ATOM 0 HB3 PHE A 49 -10.851 10.035 0.783 1.00 0.65 H new ATOM 0 HD1 PHE A 49 -14.472 10.272 1.754 1.00 1.88 H new ATOM 0 HD2 PHE A 49 -11.519 8.312 -0.690 1.00 1.93 H new ATOM 0 HE1 PHE A 49 -16.280 9.142 0.480 1.00 1.81 H new ATOM 0 HE2 PHE A 49 -13.327 7.252 -2.020 1.00 2.10 H new ATOM 0 HZ PHE A 49 -15.707 7.672 -1.449 1.00 0.90 H new ATOM 747 N MET A 50 -12.980 10.921 3.996 1.00 0.78 N ATOM 748 CA MET A 50 -14.186 11.350 4.717 1.00 0.91 C ATOM 749 C MET A 50 -15.198 12.008 3.777 1.00 0.87 C ATOM 750 O MET A 50 -14.848 12.867 2.968 1.00 0.80 O ATOM 751 CB MET A 50 -13.812 12.333 5.840 1.00 1.09 C ATOM 752 CG MET A 50 -13.392 11.593 7.115 1.00 1.83 C ATOM 753 SD MET A 50 -14.608 11.597 8.463 1.00 3.23 S ATOM 754 CE MET A 50 -16.018 10.765 7.695 1.00 5.56 C ATOM 0 H MET A 50 -12.400 11.707 3.703 1.00 0.78 H new ATOM 0 HA MET A 50 -14.647 10.461 5.147 1.00 0.91 H new ATOM 0 HB2 MET A 50 -12.998 12.976 5.506 1.00 1.09 H new ATOM 0 HB3 MET A 50 -14.662 12.981 6.057 1.00 1.09 H new ATOM 0 HG2 MET A 50 -13.168 10.558 6.856 1.00 1.83 H new ATOM 0 HG3 MET A 50 -12.467 12.037 7.483 1.00 1.83 H new ATOM 0 HE1 MET A 50 -16.682 10.383 8.471 1.00 5.56 H new ATOM 0 HE2 MET A 50 -16.561 11.473 7.069 1.00 5.56 H new ATOM 0 HE3 MET A 50 -15.662 9.937 7.082 1.00 5.56 H new ATOM 764 N ARG A 51 -16.463 11.622 3.925 1.00 1.04 N ATOM 765 CA ARG A 51 -17.619 12.237 3.262 1.00 1.06 C ATOM 766 C ARG A 51 -18.703 12.594 4.286 1.00 1.11 C ATOM 767 O ARG A 51 -18.821 11.971 5.342 1.00 1.11 O ATOM 768 CB ARG A 51 -18.191 11.306 2.169 1.00 1.17 C ATOM 769 CG ARG A 51 -17.881 11.786 0.733 1.00 2.04 C ATOM 770 CD ARG A 51 -19.149 11.995 -0.104 1.00 2.56 C ATOM 771 NE ARG A 51 -18.811 12.420 -1.476 1.00 3.83 N ATOM 772 CZ ARG A 51 -19.665 12.807 -2.419 1.00 4.77 C ATOM 773 NH1 ARG A 51 -20.964 12.852 -2.198 1.00 4.72 N ATOM 774 NH2 ARG A 51 -19.203 13.156 -3.599 1.00 6.11 N ATOM 0 H ARG A 51 -16.725 10.844 4.531 1.00 1.04 H new ATOM 0 HA ARG A 51 -17.282 13.156 2.782 1.00 1.06 H new ATOM 0 HB2 ARG A 51 -17.784 10.304 2.305 1.00 1.17 H new ATOM 0 HB3 ARG A 51 -19.271 11.231 2.294 1.00 1.17 H new ATOM 0 HG2 ARG A 51 -17.322 12.721 0.779 1.00 2.04 H new ATOM 0 HG3 ARG A 51 -17.240 11.055 0.240 1.00 2.04 H new ATOM 0 HD2 ARG A 51 -19.724 11.070 -0.137 1.00 2.56 H new ATOM 0 HD3 ARG A 51 -19.781 12.747 0.368 1.00 2.56 H new ATOM 0 HE ARG A 51 -17.822 12.417 -1.726 1.00 3.83 H new ATOM 0 HH11 ARG A 51 -21.336 12.586 -1.286 1.00 4.72 H new ATOM 0 HH12 ARG A 51 -21.597 13.153 -2.939 1.00 4.72 H new ATOM 0 HH21 ARG A 51 -18.200 13.128 -3.783 1.00 6.11 H new ATOM 0 HH22 ARG A 51 -19.847 13.455 -4.331 1.00 6.11 H new ATOM 788 N GLU A 52 -19.544 13.566 3.954 1.00 1.22 N ATOM 789 CA GLU A 52 -20.849 13.715 4.546 1.00 1.35 C ATOM 790 C GLU A 52 -21.852 12.862 3.762 1.00 1.48 C ATOM 791 O GLU A 52 -21.789 12.821 2.532 1.00 1.68 O ATOM 792 CB GLU A 52 -21.199 15.196 4.425 1.00 1.74 C ATOM 793 CG GLU A 52 -22.429 15.549 5.238 1.00 2.06 C ATOM 794 CD GLU A 52 -22.068 15.769 6.699 1.00 2.11 C ATOM 795 OE1 GLU A 52 -21.700 14.798 7.395 1.00 2.49 O ATOM 796 OE2 GLU A 52 -22.178 16.910 7.182 1.00 2.87 O ATOM 0 H GLU A 52 -19.327 14.277 3.256 1.00 1.22 H new ATOM 0 HA GLU A 52 -20.872 13.393 5.587 1.00 1.35 H new ATOM 0 HB2 GLU A 52 -20.355 15.798 4.762 1.00 1.74 H new ATOM 0 HB3 GLU A 52 -21.371 15.445 3.378 1.00 1.74 H new ATOM 0 HG2 GLU A 52 -22.891 16.450 4.834 1.00 2.06 H new ATOM 0 HG3 GLU A 52 -23.165 14.749 5.157 1.00 2.06 H new ATOM 803 N VAL A 53 -22.782 12.232 4.476 1.00 1.49 N ATOM 804 CA VAL A 53 -24.005 11.615 3.952 1.00 1.76 C ATOM 805 C VAL A 53 -25.135 12.028 4.901 1.00 1.76 C ATOM 806 O VAL A 53 -25.079 11.704 6.083 1.00 1.92 O ATOM 807 CB VAL A 53 -23.867 10.073 3.884 1.00 1.83 C ATOM 808 CG1 VAL A 53 -25.177 9.407 3.433 1.00 2.45 C ATOM 809 CG2 VAL A 53 -22.742 9.644 2.923 1.00 2.54 C ATOM 0 H VAL A 53 -22.702 12.131 5.488 1.00 1.49 H new ATOM 0 HA VAL A 53 -24.207 11.948 2.934 1.00 1.76 H new ATOM 0 HB VAL A 53 -23.623 9.745 4.894 1.00 1.83 H new ATOM 0 HG11 VAL A 53 -25.042 8.326 3.397 1.00 2.45 H new ATOM 0 HG12 VAL A 53 -25.971 9.650 4.139 1.00 2.45 H new ATOM 0 HG13 VAL A 53 -25.448 9.772 2.442 1.00 2.45 H new ATOM 0 HG21 VAL A 53 -22.676 8.556 2.902 1.00 2.54 H new ATOM 0 HG22 VAL A 53 -22.959 10.013 1.921 1.00 2.54 H new ATOM 0 HG23 VAL A 53 -21.794 10.058 3.265 1.00 2.54 H new ATOM 819 N GLU A 54 -26.112 12.804 4.417 1.00 2.03 N ATOM 820 CA GLU A 54 -27.273 13.277 5.198 1.00 2.15 C ATOM 821 C GLU A 54 -26.885 14.056 6.487 1.00 2.04 C ATOM 822 O GLU A 54 -27.448 13.815 7.563 1.00 2.17 O ATOM 823 CB GLU A 54 -28.168 12.101 5.604 1.00 2.31 C ATOM 824 CG GLU A 54 -28.767 11.170 4.551 1.00 2.96 C ATOM 825 CD GLU A 54 -29.640 10.127 5.264 1.00 3.49 C ATOM 826 OE1 GLU A 54 -29.361 9.850 6.461 1.00 3.39 O ATOM 827 OE2 GLU A 54 -30.615 9.668 4.642 1.00 4.77 O ATOM 0 H GLU A 54 -26.122 13.131 3.451 1.00 2.03 H new ATOM 0 HA GLU A 54 -27.802 13.964 4.537 1.00 2.15 H new ATOM 0 HB2 GLU A 54 -27.589 11.480 6.288 1.00 2.31 H new ATOM 0 HB3 GLU A 54 -28.999 12.514 6.175 1.00 2.31 H new ATOM 0 HG2 GLU A 54 -29.363 11.739 3.837 1.00 2.96 H new ATOM 0 HG3 GLU A 54 -27.975 10.679 3.985 1.00 2.96 H new ATOM 834 N GLY A 55 -25.865 14.924 6.427 1.00 1.93 N ATOM 835 CA GLY A 55 -25.382 15.683 7.599 1.00 1.93 C ATOM 836 C GLY A 55 -24.613 14.837 8.627 1.00 1.71 C ATOM 837 O GLY A 55 -24.251 15.322 9.701 1.00 1.79 O ATOM 0 H GLY A 55 -25.350 15.122 5.569 1.00 1.93 H new ATOM 0 HA2 GLY A 55 -24.736 16.490 7.254 1.00 1.93 H new ATOM 0 HA3 GLY A 55 -26.235 16.147 8.093 1.00 1.93 H new ATOM 841 N LYS A 56 -24.355 13.569 8.304 1.00 1.53 N ATOM 842 CA LYS A 56 -23.683 12.576 9.127 1.00 1.41 C ATOM 843 C LYS A 56 -22.403 12.143 8.402 1.00 1.36 C ATOM 844 O LYS A 56 -22.394 11.767 7.227 1.00 1.40 O ATOM 845 CB LYS A 56 -24.627 11.390 9.408 1.00 1.46 C ATOM 846 CG LYS A 56 -25.852 11.807 10.244 1.00 1.51 C ATOM 847 CD LYS A 56 -26.853 10.658 10.448 1.00 1.99 C ATOM 848 CE LYS A 56 -27.560 10.216 9.159 1.00 2.62 C ATOM 849 NZ LYS A 56 -28.491 11.237 8.625 1.00 2.78 N ATOM 0 H LYS A 56 -24.631 13.188 7.399 1.00 1.53 H new ATOM 0 HA LYS A 56 -23.412 12.994 10.097 1.00 1.41 H new ATOM 0 HB2 LYS A 56 -24.962 10.963 8.463 1.00 1.46 H new ATOM 0 HB3 LYS A 56 -24.079 10.608 9.934 1.00 1.46 H new ATOM 0 HG2 LYS A 56 -25.517 12.168 11.216 1.00 1.51 H new ATOM 0 HG3 LYS A 56 -26.356 12.639 9.752 1.00 1.51 H new ATOM 0 HD2 LYS A 56 -26.329 9.803 10.875 1.00 1.99 H new ATOM 0 HD3 LYS A 56 -27.604 10.967 11.175 1.00 1.99 H new ATOM 0 HE2 LYS A 56 -26.811 9.985 8.402 1.00 2.62 H new ATOM 0 HE3 LYS A 56 -28.112 9.296 9.352 1.00 2.62 H new ATOM 0 HZ1 LYS A 56 -28.987 10.854 7.795 1.00 2.78 H new ATOM 0 HZ2 LYS A 56 -29.185 11.490 9.357 1.00 2.78 H new ATOM 0 HZ3 LYS A 56 -27.955 12.084 8.348 1.00 2.78 H new ATOM 863 N LYS A 57 -21.298 12.241 9.121 1.00 1.36 N ATOM 864 CA LYS A 57 -19.951 12.014 8.615 1.00 1.35 C ATOM 865 C LYS A 57 -19.700 10.501 8.480 1.00 1.47 C ATOM 866 O LYS A 57 -19.813 9.766 9.455 1.00 1.59 O ATOM 867 CB LYS A 57 -18.919 12.709 9.529 1.00 1.41 C ATOM 868 CG LYS A 57 -19.095 14.242 9.614 1.00 2.13 C ATOM 869 CD LYS A 57 -19.971 14.717 10.792 1.00 2.61 C ATOM 870 CE LYS A 57 -20.410 16.179 10.623 1.00 3.00 C ATOM 871 NZ LYS A 57 -21.557 16.304 9.691 1.00 3.60 N ATOM 0 H LYS A 57 -21.313 12.490 10.110 1.00 1.36 H new ATOM 0 HA LYS A 57 -19.842 12.453 7.623 1.00 1.35 H new ATOM 0 HB2 LYS A 57 -18.993 12.288 10.532 1.00 1.41 H new ATOM 0 HB3 LYS A 57 -17.916 12.487 9.164 1.00 1.41 H new ATOM 0 HG2 LYS A 57 -18.112 14.705 9.698 1.00 2.13 H new ATOM 0 HG3 LYS A 57 -19.536 14.597 8.683 1.00 2.13 H new ATOM 0 HD2 LYS A 57 -20.852 14.080 10.870 1.00 2.61 H new ATOM 0 HD3 LYS A 57 -19.416 14.609 11.724 1.00 2.61 H new ATOM 0 HE2 LYS A 57 -20.684 16.591 11.594 1.00 3.00 H new ATOM 0 HE3 LYS A 57 -19.573 16.769 10.251 1.00 3.00 H new ATOM 0 HZ1 LYS A 57 -21.409 17.122 9.066 1.00 3.60 H new ATOM 0 HZ2 LYS A 57 -21.634 15.440 9.118 1.00 3.60 H new ATOM 0 HZ3 LYS A 57 -22.433 16.438 10.235 1.00 3.60 H new ATOM 885 N VAL A 58 -19.373 10.055 7.271 1.00 1.50 N ATOM 886 CA VAL A 58 -19.203 8.644 6.877 1.00 1.67 C ATOM 887 C VAL A 58 -17.961 8.517 5.987 1.00 1.59 C ATOM 888 O VAL A 58 -17.754 9.322 5.082 1.00 1.90 O ATOM 889 CB VAL A 58 -20.469 8.127 6.143 1.00 1.81 C ATOM 890 CG1 VAL A 58 -20.302 6.695 5.612 1.00 2.42 C ATOM 891 CG2 VAL A 58 -21.705 8.149 7.061 1.00 2.38 C ATOM 0 H VAL A 58 -19.209 10.694 6.493 1.00 1.50 H new ATOM 0 HA VAL A 58 -19.066 8.031 7.768 1.00 1.67 H new ATOM 0 HB VAL A 58 -20.610 8.806 5.302 1.00 1.81 H new ATOM 0 HG11 VAL A 58 -21.217 6.385 5.108 1.00 2.42 H new ATOM 0 HG12 VAL A 58 -19.471 6.663 4.907 1.00 2.42 H new ATOM 0 HG13 VAL A 58 -20.099 6.020 6.443 1.00 2.42 H new ATOM 0 HG21 VAL A 58 -22.572 7.780 6.513 1.00 2.38 H new ATOM 0 HG22 VAL A 58 -21.526 7.512 7.928 1.00 2.38 H new ATOM 0 HG23 VAL A 58 -21.893 9.170 7.393 1.00 2.38 H new ATOM 901 N MET A 59 -17.097 7.537 6.263 1.00 1.23 N ATOM 902 CA MET A 59 -15.871 7.307 5.482 1.00 1.07 C ATOM 903 C MET A 59 -16.121 6.538 4.181 1.00 1.02 C ATOM 904 O MET A 59 -17.188 5.969 3.964 1.00 1.15 O ATOM 905 CB MET A 59 -14.801 6.609 6.330 1.00 1.11 C ATOM 906 CG MET A 59 -14.242 7.571 7.379 1.00 1.18 C ATOM 907 SD MET A 59 -12.901 6.871 8.369 1.00 2.01 S ATOM 908 CE MET A 59 -12.610 8.271 9.479 1.00 2.36 C ATOM 0 H MET A 59 -17.224 6.879 7.032 1.00 1.23 H new ATOM 0 HA MET A 59 -15.504 8.292 5.194 1.00 1.07 H new ATOM 0 HB2 MET A 59 -15.229 5.735 6.820 1.00 1.11 H new ATOM 0 HB3 MET A 59 -13.995 6.252 5.689 1.00 1.11 H new ATOM 0 HG2 MET A 59 -13.881 8.470 6.879 1.00 1.18 H new ATOM 0 HG3 MET A 59 -15.049 7.879 8.043 1.00 1.18 H new ATOM 0 HE1 MET A 59 -11.806 8.025 10.172 1.00 2.36 H new ATOM 0 HE2 MET A 59 -12.329 9.147 8.894 1.00 2.36 H new ATOM 0 HE3 MET A 59 -13.520 8.486 10.040 1.00 2.36 H new ATOM 918 N GLY A 60 -15.118 6.538 3.306 1.00 0.89 N ATOM 919 CA GLY A 60 -15.155 5.851 2.019 1.00 0.92 C ATOM 920 C GLY A 60 -13.775 5.483 1.489 1.00 0.86 C ATOM 921 O GLY A 60 -12.752 5.787 2.100 1.00 0.81 O ATOM 0 H GLY A 60 -14.239 7.026 3.476 1.00 0.89 H new ATOM 0 HA2 GLY A 60 -15.752 4.944 2.117 1.00 0.92 H new ATOM 0 HA3 GLY A 60 -15.658 6.487 1.291 1.00 0.92 H new ATOM 925 N MET A 61 -13.758 4.799 0.344 1.00 0.90 N ATOM 926 CA MET A 61 -12.563 4.268 -0.311 1.00 0.82 C ATOM 927 C MET A 61 -12.829 4.095 -1.809 1.00 0.81 C ATOM 928 O MET A 61 -13.913 3.682 -2.232 1.00 0.91 O ATOM 929 CB MET A 61 -12.202 2.950 0.393 1.00 0.85 C ATOM 930 CG MET A 61 -11.216 2.027 -0.333 1.00 0.89 C ATOM 931 SD MET A 61 -11.196 0.301 0.265 1.00 0.73 S ATOM 932 CE MET A 61 -11.373 0.535 2.052 1.00 1.12 C ATOM 0 H MET A 61 -14.612 4.592 -0.173 1.00 0.90 H new ATOM 0 HA MET A 61 -11.716 4.949 -0.230 1.00 0.82 H new ATOM 0 HB2 MET A 61 -11.785 3.190 1.371 1.00 0.85 H new ATOM 0 HB3 MET A 61 -13.123 2.394 0.567 1.00 0.85 H new ATOM 0 HG2 MET A 61 -11.458 2.025 -1.396 1.00 0.89 H new ATOM 0 HG3 MET A 61 -10.213 2.442 -0.235 1.00 0.89 H new ATOM 0 HE1 MET A 61 -11.147 -0.400 2.565 1.00 1.12 H new ATOM 0 HE2 MET A 61 -10.683 1.309 2.388 1.00 1.12 H new ATOM 0 HE3 MET A 61 -12.395 0.837 2.280 1.00 1.12 H new ATOM 942 N ARG A 62 -11.819 4.421 -2.610 1.00 0.74 N ATOM 943 CA ARG A 62 -11.829 4.417 -4.073 1.00 0.78 C ATOM 944 C ARG A 62 -10.443 3.989 -4.588 1.00 0.63 C ATOM 945 O ARG A 62 -9.472 4.115 -3.836 1.00 0.46 O ATOM 946 CB ARG A 62 -12.160 5.844 -4.552 1.00 0.88 C ATOM 947 CG ARG A 62 -13.654 6.185 -4.615 1.00 1.59 C ATOM 948 CD ARG A 62 -14.337 5.745 -5.912 1.00 2.59 C ATOM 949 NE ARG A 62 -14.674 4.308 -5.919 1.00 4.93 N ATOM 950 CZ ARG A 62 -14.969 3.580 -6.994 1.00 6.68 C ATOM 951 NH1 ARG A 62 -14.911 4.077 -8.214 1.00 6.48 N ATOM 952 NH2 ARG A 62 -15.319 2.318 -6.855 1.00 8.81 N ATOM 0 H ARG A 62 -10.917 4.713 -2.235 1.00 0.74 H new ATOM 0 HA ARG A 62 -12.573 3.718 -4.454 1.00 0.78 H new ATOM 0 HB2 ARG A 62 -11.670 6.555 -3.887 1.00 0.88 H new ATOM 0 HB3 ARG A 62 -11.730 5.985 -5.544 1.00 0.88 H new ATOM 0 HG2 ARG A 62 -14.160 5.714 -3.772 1.00 1.59 H new ATOM 0 HG3 ARG A 62 -13.776 7.262 -4.499 1.00 1.59 H new ATOM 0 HD2 ARG A 62 -15.247 6.328 -6.055 1.00 2.59 H new ATOM 0 HD3 ARG A 62 -13.682 5.965 -6.755 1.00 2.59 H new ATOM 0 HE ARG A 62 -14.682 3.829 -5.018 1.00 4.93 H new ATOM 0 HH11 ARG A 62 -14.633 5.048 -8.356 1.00 6.48 H new ATOM 0 HH12 ARG A 62 -15.144 3.490 -9.015 1.00 6.48 H new ATOM 0 HH21 ARG A 62 -15.364 1.901 -5.925 1.00 8.81 H new ATOM 0 HH22 ARG A 62 -15.546 1.758 -7.677 1.00 8.81 H new ATOM 966 N PRO A 63 -10.330 3.465 -5.823 1.00 0.72 N ATOM 967 CA PRO A 63 -9.048 3.220 -6.458 1.00 0.66 C ATOM 968 C PRO A 63 -8.510 4.501 -7.098 1.00 0.67 C ATOM 969 O PRO A 63 -9.291 5.354 -7.514 1.00 0.75 O ATOM 970 CB PRO A 63 -9.315 2.126 -7.486 1.00 0.69 C ATOM 971 CG PRO A 63 -10.733 2.457 -7.958 1.00 0.83 C ATOM 972 CD PRO A 63 -11.406 3.018 -6.699 1.00 0.89 C ATOM 0 HA PRO A 63 -8.282 2.907 -5.748 1.00 0.66 H new ATOM 0 HB2 PRO A 63 -8.597 2.155 -8.306 1.00 0.69 H new ATOM 0 HB3 PRO A 63 -9.256 1.131 -7.045 1.00 0.69 H new ATOM 0 HG2 PRO A 63 -10.727 3.186 -8.769 1.00 0.83 H new ATOM 0 HG3 PRO A 63 -11.250 1.572 -8.329 1.00 0.83 H new ATOM 0 HD2 PRO A 63 -12.072 3.844 -6.949 1.00 0.89 H new ATOM 0 HD3 PRO A 63 -12.013 2.256 -6.211 1.00 0.89 H new ATOM 980 N VAL A 64 -7.183 4.607 -7.195 1.00 0.62 N ATOM 981 CA VAL A 64 -6.454 5.762 -7.758 1.00 0.62 C ATOM 982 C VAL A 64 -5.346 5.284 -8.717 1.00 0.65 C ATOM 983 O VAL A 64 -4.914 4.136 -8.595 1.00 0.64 O ATOM 984 CB VAL A 64 -5.886 6.678 -6.642 1.00 0.57 C ATOM 985 CG1 VAL A 64 -7.015 7.330 -5.835 1.00 0.58 C ATOM 986 CG2 VAL A 64 -4.909 5.971 -5.692 1.00 0.69 C ATOM 0 H VAL A 64 -6.558 3.868 -6.874 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.162 6.362 -8.330 1.00 0.62 H new ATOM 0 HB VAL A 64 -5.314 7.445 -7.164 1.00 0.57 H new ATOM 0 HG11 VAL A 64 -6.588 7.966 -5.060 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -7.635 7.933 -6.498 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -7.626 6.555 -5.372 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.556 6.678 -4.941 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -5.416 5.141 -5.200 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -4.060 5.592 -6.260 1.00 0.69 H new ATOM 996 N PRO A 65 -4.897 6.104 -9.695 1.00 0.70 N ATOM 997 CA PRO A 65 -4.068 5.637 -10.807 1.00 0.75 C ATOM 998 C PRO A 65 -2.593 5.485 -10.433 1.00 0.69 C ATOM 999 O PRO A 65 -1.915 4.652 -11.028 1.00 0.68 O ATOM 1000 CB PRO A 65 -4.277 6.671 -11.917 1.00 0.85 C ATOM 1001 CG PRO A 65 -4.509 7.969 -11.149 1.00 0.82 C ATOM 1002 CD PRO A 65 -5.254 7.503 -9.899 1.00 0.73 C ATOM 0 HA PRO A 65 -4.361 4.635 -11.120 1.00 0.75 H new ATOM 0 HB2 PRO A 65 -3.408 6.740 -12.571 1.00 0.85 H new ATOM 0 HB3 PRO A 65 -5.130 6.418 -12.547 1.00 0.85 H new ATOM 0 HG2 PRO A 65 -3.570 8.462 -10.898 1.00 0.82 H new ATOM 0 HG3 PRO A 65 -5.098 8.680 -11.728 1.00 0.82 H new ATOM 0 HD2 PRO A 65 -4.973 8.104 -9.034 1.00 0.73 H new ATOM 0 HD3 PRO A 65 -6.331 7.613 -10.027 1.00 0.73 H new ATOM 1010 N PHE A 66 -2.114 6.262 -9.454 1.00 0.67 N ATOM 1011 CA PHE A 66 -0.731 6.264 -8.966 1.00 0.63 C ATOM 1012 C PHE A 66 -0.553 7.203 -7.764 1.00 0.62 C ATOM 1013 O PHE A 66 -1.384 8.073 -7.501 1.00 0.65 O ATOM 1014 CB PHE A 66 0.257 6.653 -10.083 1.00 0.69 C ATOM 1015 CG PHE A 66 0.075 8.066 -10.576 1.00 0.78 C ATOM 1016 CD1 PHE A 66 0.690 9.124 -9.890 1.00 2.14 C ATOM 1017 CD2 PHE A 66 -0.770 8.323 -11.665 1.00 1.37 C ATOM 1018 CE1 PHE A 66 0.445 10.451 -10.261 1.00 2.20 C ATOM 1019 CE2 PHE A 66 -0.992 9.653 -12.069 1.00 1.39 C ATOM 1020 CZ PHE A 66 -0.390 10.716 -11.362 1.00 0.93 C ATOM 0 H PHE A 66 -2.703 6.933 -8.961 1.00 0.67 H new ATOM 0 HA PHE A 66 -0.512 5.247 -8.642 1.00 0.63 H new ATOM 0 HB2 PHE A 66 1.276 6.533 -9.715 1.00 0.69 H new ATOM 0 HB3 PHE A 66 0.137 5.965 -10.920 1.00 0.69 H new ATOM 0 HD1 PHE A 66 1.358 8.913 -9.068 1.00 2.14 H new ATOM 0 HD2 PHE A 66 -1.246 7.508 -12.189 1.00 1.37 H new ATOM 0 HE1 PHE A 66 0.892 11.263 -9.708 1.00 2.20 H new ATOM 0 HE2 PHE A 66 -1.623 9.860 -12.920 1.00 1.39 H new ATOM 0 HZ PHE A 66 -0.571 11.736 -11.667 1.00 0.93 H new ATOM 1030 N LEU A 67 0.591 7.070 -7.091 1.00 0.60 N ATOM 1031 CA LEU A 67 1.133 8.004 -6.105 1.00 0.61 C ATOM 1032 C LEU A 67 2.417 8.647 -6.631 1.00 0.73 C ATOM 1033 O LEU A 67 3.145 8.029 -7.407 1.00 0.78 O ATOM 1034 CB LEU A 67 1.486 7.244 -4.816 1.00 0.53 C ATOM 1035 CG LEU A 67 0.371 6.391 -4.195 1.00 0.46 C ATOM 1036 CD1 LEU A 67 0.883 5.891 -2.847 1.00 0.49 C ATOM 1037 CD2 LEU A 67 -0.940 7.155 -3.985 1.00 0.52 C ATOM 0 H LEU A 67 1.198 6.262 -7.228 1.00 0.60 H new ATOM 0 HA LEU A 67 0.382 8.770 -5.912 1.00 0.61 H new ATOM 0 HB2 LEU A 67 2.336 6.594 -5.025 1.00 0.53 H new ATOM 0 HB3 LEU A 67 1.815 7.969 -4.072 1.00 0.53 H new ATOM 0 HG LEU A 67 0.141 5.578 -4.884 1.00 0.46 H new ATOM 0 HD11 LEU A 67 0.117 5.278 -2.371 1.00 0.49 H new ATOM 0 HD12 LEU A 67 1.783 5.295 -2.998 1.00 0.49 H new ATOM 0 HD13 LEU A 67 1.115 6.743 -2.207 1.00 0.49 H new ATOM 0 HD21 LEU A 67 -1.682 6.490 -3.543 1.00 0.52 H new ATOM 0 HD22 LEU A 67 -0.766 7.999 -3.318 1.00 0.52 H new ATOM 0 HD23 LEU A 67 -1.306 7.520 -4.945 1.00 0.52 H new ATOM 1049 N GLU A 68 2.721 9.849 -6.155 1.00 0.80 N ATOM 1050 CA GLU A 68 3.936 10.598 -6.485 1.00 0.93 C ATOM 1051 C GLU A 68 4.768 10.804 -5.216 1.00 0.99 C ATOM 1052 O GLU A 68 4.193 11.075 -4.160 1.00 1.01 O ATOM 1053 CB GLU A 68 3.538 11.967 -7.067 1.00 1.07 C ATOM 1054 CG GLU A 68 4.725 12.815 -7.559 1.00 1.18 C ATOM 1055 CD GLU A 68 5.192 12.423 -8.964 1.00 1.26 C ATOM 1056 OE1 GLU A 68 5.060 11.245 -9.355 1.00 1.90 O ATOM 1057 OE2 GLU A 68 5.605 13.319 -9.731 1.00 1.91 O ATOM 0 H GLU A 68 2.111 10.348 -5.508 1.00 0.80 H new ATOM 0 HA GLU A 68 4.525 10.044 -7.216 1.00 0.93 H new ATOM 0 HB2 GLU A 68 2.850 11.810 -7.898 1.00 1.07 H new ATOM 0 HB3 GLU A 68 2.996 12.529 -6.306 1.00 1.07 H new ATOM 0 HG2 GLU A 68 4.440 13.867 -7.556 1.00 1.18 H new ATOM 0 HG3 GLU A 68 5.556 12.708 -6.862 1.00 1.18 H new ATOM 1064 N VAL A 69 6.102 10.738 -5.333 1.00 1.06 N ATOM 1065 CA VAL A 69 7.022 11.165 -4.266 1.00 1.13 C ATOM 1066 C VAL A 69 8.263 11.891 -4.816 1.00 1.21 C ATOM 1067 O VAL A 69 8.950 11.343 -5.686 1.00 1.28 O ATOM 1068 CB VAL A 69 7.465 9.975 -3.374 1.00 1.16 C ATOM 1069 CG1 VAL A 69 8.378 10.404 -2.215 1.00 1.21 C ATOM 1070 CG2 VAL A 69 6.273 9.238 -2.756 1.00 1.24 C ATOM 0 H VAL A 69 6.574 10.388 -6.167 1.00 1.06 H new ATOM 0 HA VAL A 69 6.459 11.871 -3.655 1.00 1.13 H new ATOM 0 HB VAL A 69 8.011 9.318 -4.052 1.00 1.16 H new ATOM 0 HG11 VAL A 69 8.655 9.529 -1.627 1.00 1.21 H new ATOM 0 HG12 VAL A 69 9.278 10.872 -2.615 1.00 1.21 H new ATOM 0 HG13 VAL A 69 7.850 11.116 -1.580 1.00 1.21 H new ATOM 0 HG21 VAL A 69 6.634 8.414 -2.141 1.00 1.24 H new ATOM 0 HG22 VAL A 69 5.699 9.928 -2.138 1.00 1.24 H new ATOM 0 HG23 VAL A 69 5.636 8.847 -3.549 1.00 1.24 H new ATOM 1080 N PRO A 70 8.598 13.099 -4.302 1.00 1.25 N ATOM 1081 CA PRO A 70 9.765 13.872 -4.725 1.00 1.35 C ATOM 1082 C PRO A 70 11.082 13.275 -4.192 1.00 1.42 C ATOM 1083 O PRO A 70 11.060 12.526 -3.217 1.00 1.44 O ATOM 1084 CB PRO A 70 9.528 15.285 -4.177 1.00 1.36 C ATOM 1085 CG PRO A 70 8.733 15.030 -2.902 1.00 1.31 C ATOM 1086 CD PRO A 70 7.853 13.844 -3.292 1.00 1.24 C ATOM 0 HA PRO A 70 9.872 13.866 -5.810 1.00 1.35 H new ATOM 0 HB2 PRO A 70 10.466 15.801 -3.971 1.00 1.36 H new ATOM 0 HB3 PRO A 70 8.972 15.903 -4.882 1.00 1.36 H new ATOM 0 HG2 PRO A 70 9.383 14.793 -2.059 1.00 1.31 H new ATOM 0 HG3 PRO A 70 8.140 15.898 -2.613 1.00 1.31 H new ATOM 0 HD2 PRO A 70 7.638 13.218 -2.426 1.00 1.24 H new ATOM 0 HD3 PRO A 70 6.895 14.183 -3.686 1.00 1.24 H new ATOM 1094 N PRO A 71 12.235 13.609 -4.812 1.00 1.48 N ATOM 1095 CA PRO A 71 13.541 13.054 -4.461 1.00 1.51 C ATOM 1096 C PRO A 71 13.952 13.339 -3.015 1.00 1.59 C ATOM 1097 O PRO A 71 13.626 14.387 -2.463 1.00 1.68 O ATOM 1098 CB PRO A 71 14.529 13.628 -5.478 1.00 1.60 C ATOM 1099 CG PRO A 71 13.834 14.860 -6.048 1.00 1.62 C ATOM 1100 CD PRO A 71 12.358 14.500 -5.955 1.00 1.54 C ATOM 0 HA PRO A 71 13.517 11.965 -4.507 1.00 1.51 H new ATOM 0 HB2 PRO A 71 15.475 13.892 -5.005 1.00 1.60 H new ATOM 0 HB3 PRO A 71 14.755 12.904 -6.261 1.00 1.60 H new ATOM 0 HG2 PRO A 71 14.067 15.756 -5.473 1.00 1.62 H new ATOM 0 HG3 PRO A 71 14.137 15.054 -7.077 1.00 1.62 H new ATOM 0 HD2 PRO A 71 11.746 15.392 -5.822 1.00 1.54 H new ATOM 0 HD3 PRO A 71 12.017 14.013 -6.868 1.00 1.54 H new ATOM 1108 N LYS A 72 14.636 12.361 -2.404 1.00 1.59 N ATOM 1109 CA LYS A 72 15.110 12.330 -0.999 1.00 1.72 C ATOM 1110 C LYS A 72 13.990 12.255 0.049 1.00 1.76 C ATOM 1111 O LYS A 72 14.253 11.988 1.222 1.00 2.03 O ATOM 1112 CB LYS A 72 16.090 13.486 -0.720 1.00 1.90 C ATOM 1113 CG LYS A 72 17.532 13.232 -1.177 1.00 2.62 C ATOM 1114 CD LYS A 72 17.694 12.488 -2.510 1.00 1.57 C ATOM 1115 CE LYS A 72 19.155 12.343 -2.941 1.00 2.33 C ATOM 1116 NZ LYS A 72 19.250 11.380 -4.057 1.00 2.14 N ATOM 0 H LYS A 72 14.894 11.511 -2.905 1.00 1.59 H new ATOM 0 HA LYS A 72 15.648 11.389 -0.890 1.00 1.72 H new ATOM 0 HB2 LYS A 72 15.720 14.384 -1.214 1.00 1.90 H new ATOM 0 HB3 LYS A 72 16.094 13.690 0.351 1.00 1.90 H new ATOM 0 HG2 LYS A 72 18.042 14.192 -1.255 1.00 2.62 H new ATOM 0 HG3 LYS A 72 18.043 12.662 -0.401 1.00 2.62 H new ATOM 0 HD2 LYS A 72 17.247 11.498 -2.424 1.00 1.57 H new ATOM 0 HD3 LYS A 72 17.143 13.020 -3.286 1.00 1.57 H new ATOM 0 HE2 LYS A 72 19.552 13.311 -3.248 1.00 2.33 H new ATOM 0 HE3 LYS A 72 19.760 12.002 -2.101 1.00 2.33 H new ATOM 0 HZ1 LYS A 72 20.244 11.283 -4.348 1.00 2.14 H new ATOM 0 HZ2 LYS A 72 18.888 10.455 -3.749 1.00 2.14 H new ATOM 0 HZ3 LYS A 72 18.686 11.723 -4.860 1.00 2.14 H new ATOM 1130 N GLY A 73 12.738 12.420 -0.363 1.00 1.60 N ATOM 1131 CA GLY A 73 11.559 12.322 0.506 1.00 1.66 C ATOM 1132 C GLY A 73 11.149 10.874 0.782 1.00 1.52 C ATOM 1133 O GLY A 73 11.032 10.081 -0.150 1.00 1.22 O ATOM 0 H GLY A 73 12.503 12.631 -1.333 1.00 1.60 H new ATOM 0 HA2 GLY A 73 11.767 12.823 1.451 1.00 1.66 H new ATOM 0 HA3 GLY A 73 10.726 12.849 0.042 1.00 1.66 H new ATOM 1137 N ARG A 74 10.849 10.559 2.050 1.00 2.00 N ATOM 1138 CA ARG A 74 9.978 9.430 2.422 1.00 1.79 C ATOM 1139 C ARG A 74 8.582 9.969 2.739 1.00 2.06 C ATOM 1140 O ARG A 74 8.463 10.989 3.408 1.00 2.73 O ATOM 1141 CB ARG A 74 10.566 8.565 3.564 1.00 2.22 C ATOM 1142 CG ARG A 74 10.472 9.120 5.003 1.00 2.15 C ATOM 1143 CD ARG A 74 9.142 8.840 5.734 1.00 2.00 C ATOM 1144 NE ARG A 74 9.355 8.096 6.995 1.00 2.70 N ATOM 1145 CZ ARG A 74 8.811 8.322 8.185 1.00 3.36 C ATOM 1146 NH1 ARG A 74 7.820 9.171 8.362 1.00 4.11 N ATOM 1147 NH2 ARG A 74 9.266 7.666 9.233 1.00 4.17 N ATOM 0 H ARG A 74 11.204 11.081 2.851 1.00 2.00 H new ATOM 0 HA ARG A 74 9.907 8.746 1.576 1.00 1.79 H new ATOM 0 HB2 ARG A 74 10.065 7.597 3.544 1.00 2.22 H new ATOM 0 HB3 ARG A 74 11.618 8.385 3.341 1.00 2.22 H new ATOM 0 HG2 ARG A 74 11.286 8.697 5.591 1.00 2.15 H new ATOM 0 HG3 ARG A 74 10.629 10.198 4.970 1.00 2.15 H new ATOM 0 HD2 ARG A 74 8.640 9.783 5.949 1.00 2.00 H new ATOM 0 HD3 ARG A 74 8.482 8.268 5.082 1.00 2.00 H new ATOM 0 HE ARG A 74 10.002 7.309 6.944 1.00 2.70 H new ATOM 0 HH11 ARG A 74 7.441 9.685 7.567 1.00 4.11 H new ATOM 0 HH12 ARG A 74 7.432 9.314 9.294 1.00 4.11 H new ATOM 0 HH21 ARG A 74 10.026 6.995 9.124 1.00 4.17 H new ATOM 0 HH22 ARG A 74 8.858 7.829 10.153 1.00 4.17 H new ATOM 1161 N VAL A 75 7.541 9.311 2.244 1.00 1.86 N ATOM 1162 CA VAL A 75 6.133 9.729 2.329 1.00 2.45 C ATOM 1163 C VAL A 75 5.282 8.469 2.423 1.00 1.99 C ATOM 1164 O VAL A 75 5.441 7.557 1.631 1.00 1.87 O ATOM 1165 CB VAL A 75 5.683 10.529 1.082 1.00 3.18 C ATOM 1166 CG1 VAL A 75 4.205 10.957 1.203 1.00 4.02 C ATOM 1167 CG2 VAL A 75 6.519 11.800 0.850 1.00 3.63 C ATOM 0 H VAL A 75 7.653 8.427 1.747 1.00 1.86 H new ATOM 0 HA VAL A 75 6.016 10.375 3.199 1.00 2.45 H new ATOM 0 HB VAL A 75 5.825 9.854 0.238 1.00 3.18 H new ATOM 0 HG11 VAL A 75 3.914 11.517 0.314 1.00 4.02 H new ATOM 0 HG12 VAL A 75 3.576 10.071 1.295 1.00 4.02 H new ATOM 0 HG13 VAL A 75 4.079 11.585 2.085 1.00 4.02 H new ATOM 0 HG21 VAL A 75 6.156 12.317 -0.038 1.00 3.63 H new ATOM 0 HG22 VAL A 75 6.430 12.457 1.715 1.00 3.63 H new ATOM 0 HG23 VAL A 75 7.565 11.527 0.708 1.00 3.63 H new ATOM 1177 N GLU A 76 4.382 8.393 3.387 1.00 1.91 N ATOM 1178 CA GLU A 76 3.716 7.140 3.731 1.00 1.54 C ATOM 1179 C GLU A 76 2.367 6.975 3.018 1.00 1.27 C ATOM 1180 O GLU A 76 1.657 7.960 2.807 1.00 1.35 O ATOM 1181 CB GLU A 76 3.552 7.021 5.259 1.00 1.81 C ATOM 1182 CG GLU A 76 4.715 7.576 6.114 1.00 2.01 C ATOM 1183 CD GLU A 76 4.847 9.111 6.130 1.00 2.11 C ATOM 1184 OE1 GLU A 76 3.885 9.802 5.709 1.00 2.86 O ATOM 1185 OE2 GLU A 76 5.961 9.590 6.420 1.00 2.77 O ATOM 0 H GLU A 76 4.090 9.190 3.953 1.00 1.91 H new ATOM 0 HA GLU A 76 4.354 6.329 3.380 1.00 1.54 H new ATOM 0 HB2 GLU A 76 2.637 7.539 5.547 1.00 1.81 H new ATOM 0 HB3 GLU A 76 3.415 5.969 5.508 1.00 1.81 H new ATOM 0 HG2 GLU A 76 4.588 7.228 7.139 1.00 2.01 H new ATOM 0 HG3 GLU A 76 5.649 7.151 5.746 1.00 2.01 H new ATOM 1192 N LEU A 77 1.952 5.731 2.745 1.00 1.12 N ATOM 1193 CA LEU A 77 0.543 5.394 2.539 1.00 1.13 C ATOM 1194 C LEU A 77 -0.128 5.390 3.924 1.00 1.32 C ATOM 1195 O LEU A 77 -0.159 4.374 4.618 1.00 2.01 O ATOM 1196 CB LEU A 77 0.397 4.034 1.814 1.00 1.07 C ATOM 1197 CG LEU A 77 0.660 4.029 0.294 1.00 0.95 C ATOM 1198 CD1 LEU A 77 2.132 4.212 -0.094 1.00 1.13 C ATOM 1199 CD2 LEU A 77 0.149 2.708 -0.298 1.00 0.98 C ATOM 0 H LEU A 77 2.584 4.934 2.662 1.00 1.12 H new ATOM 0 HA LEU A 77 0.056 6.126 1.895 1.00 1.13 H new ATOM 0 HB2 LEU A 77 1.081 3.324 2.280 1.00 1.07 H new ATOM 0 HB3 LEU A 77 -0.613 3.663 1.986 1.00 1.07 H new ATOM 0 HG LEU A 77 0.127 4.890 -0.110 1.00 0.95 H new ATOM 0 HD11 LEU A 77 2.227 4.196 -1.180 1.00 1.13 H new ATOM 0 HD12 LEU A 77 2.493 5.167 0.288 1.00 1.13 H new ATOM 0 HD13 LEU A 77 2.724 3.403 0.334 1.00 1.13 H new ATOM 0 HD21 LEU A 77 0.331 2.696 -1.373 1.00 0.98 H new ATOM 0 HD22 LEU A 77 0.673 1.874 0.168 1.00 0.98 H new ATOM 0 HD23 LEU A 77 -0.921 2.615 -0.110 1.00 0.98 H new ATOM 1211 N LYS A 78 -0.560 6.564 4.402 1.00 1.55 N ATOM 1212 CA LYS A 78 -1.046 6.706 5.784 1.00 1.54 C ATOM 1213 C LYS A 78 -2.327 5.882 6.070 1.00 1.45 C ATOM 1214 O LYS A 78 -3.199 5.810 5.199 1.00 1.44 O ATOM 1215 CB LYS A 78 -1.195 8.180 6.234 1.00 1.78 C ATOM 1216 CG LYS A 78 -1.643 9.247 5.210 1.00 1.70 C ATOM 1217 CD LYS A 78 -0.561 9.810 4.264 1.00 1.99 C ATOM 1218 CE LYS A 78 0.777 10.115 4.965 1.00 1.84 C ATOM 1219 NZ LYS A 78 1.863 10.460 4.022 1.00 2.71 N ATOM 0 H LYS A 78 -0.584 7.426 3.857 1.00 1.55 H new ATOM 0 HA LYS A 78 -0.258 6.275 6.401 1.00 1.54 H new ATOM 0 HB2 LYS A 78 -1.908 8.199 7.059 1.00 1.78 H new ATOM 0 HB3 LYS A 78 -0.233 8.497 6.637 1.00 1.78 H new ATOM 0 HG2 LYS A 78 -2.437 8.817 4.599 1.00 1.70 H new ATOM 0 HG3 LYS A 78 -2.080 10.081 5.759 1.00 1.70 H new ATOM 0 HD2 LYS A 78 -0.385 9.094 3.461 1.00 1.99 H new ATOM 0 HD3 LYS A 78 -0.935 10.723 3.801 1.00 1.99 H new ATOM 0 HE2 LYS A 78 0.634 10.940 5.663 1.00 1.84 H new ATOM 0 HE3 LYS A 78 1.077 9.248 5.554 1.00 1.84 H new ATOM 0 HZ1 LYS A 78 2.761 10.538 4.540 1.00 2.71 H new ATOM 0 HZ2 LYS A 78 1.944 9.717 3.299 1.00 2.71 H new ATOM 0 HZ3 LYS A 78 1.649 11.368 3.563 1.00 2.71 H new ATOM 1233 N PRO A 79 -2.485 5.341 7.302 1.00 1.55 N ATOM 1234 CA PRO A 79 -3.582 4.445 7.680 1.00 1.54 C ATOM 1235 C PRO A 79 -4.971 5.033 7.418 1.00 1.47 C ATOM 1236 O PRO A 79 -5.852 4.320 6.945 1.00 2.17 O ATOM 1237 CB PRO A 79 -3.366 4.088 9.157 1.00 1.90 C ATOM 1238 CG PRO A 79 -2.437 5.181 9.675 1.00 2.00 C ATOM 1239 CD PRO A 79 -1.596 5.517 8.448 1.00 1.85 C ATOM 0 HA PRO A 79 -3.561 3.552 7.055 1.00 1.54 H new ATOM 0 HB2 PRO A 79 -4.308 4.074 9.705 1.00 1.90 H new ATOM 0 HB3 PRO A 79 -2.918 3.100 9.266 1.00 1.90 H new ATOM 0 HG2 PRO A 79 -2.992 6.047 10.035 1.00 2.00 H new ATOM 0 HG3 PRO A 79 -1.822 4.830 10.504 1.00 2.00 H new ATOM 0 HD2 PRO A 79 -1.219 6.539 8.499 1.00 1.85 H new ATOM 0 HD3 PRO A 79 -0.729 4.861 8.376 1.00 1.85 H new ATOM 1247 N GLY A 80 -5.143 6.337 7.666 1.00 1.42 N ATOM 1248 CA GLY A 80 -6.375 7.073 7.384 1.00 1.50 C ATOM 1249 C GLY A 80 -6.449 7.730 6.003 1.00 1.54 C ATOM 1250 O GLY A 80 -7.180 8.710 5.886 1.00 2.26 O ATOM 0 H GLY A 80 -4.413 6.919 8.077 1.00 1.42 H new ATOM 0 HA2 GLY A 80 -7.218 6.389 7.487 1.00 1.50 H new ATOM 0 HA3 GLY A 80 -6.497 7.847 8.142 1.00 1.50 H new ATOM 1254 N GLY A 81 -5.718 7.258 4.974 1.00 1.08 N ATOM 1255 CA GLY A 81 -5.929 7.775 3.608 1.00 1.09 C ATOM 1256 C GLY A 81 -5.385 7.035 2.384 1.00 1.17 C ATOM 1257 O GLY A 81 -5.845 7.344 1.295 1.00 2.30 O ATOM 0 H GLY A 81 -4.997 6.541 5.057 1.00 1.08 H new ATOM 0 HA2 GLY A 81 -7.006 7.872 3.468 1.00 1.09 H new ATOM 0 HA3 GLY A 81 -5.512 8.782 3.582 1.00 1.09 H new ATOM 1261 N TYR A 82 -4.460 6.073 2.487 1.00 0.89 N ATOM 1262 CA TYR A 82 -4.006 5.268 1.330 1.00 0.81 C ATOM 1263 C TYR A 82 -3.578 3.837 1.684 1.00 0.85 C ATOM 1264 O TYR A 82 -3.011 3.596 2.743 1.00 1.05 O ATOM 1265 CB TYR A 82 -2.835 5.946 0.612 1.00 0.88 C ATOM 1266 CG TYR A 82 -3.182 7.235 -0.094 1.00 0.81 C ATOM 1267 CD1 TYR A 82 -3.733 7.208 -1.388 1.00 1.50 C ATOM 1268 CD2 TYR A 82 -3.005 8.462 0.572 1.00 2.06 C ATOM 1269 CE1 TYR A 82 -4.078 8.406 -2.032 1.00 1.47 C ATOM 1270 CE2 TYR A 82 -3.413 9.658 -0.040 1.00 2.11 C ATOM 1271 CZ TYR A 82 -3.941 9.639 -1.354 1.00 0.84 C ATOM 1272 OH TYR A 82 -4.330 10.791 -1.962 1.00 0.91 O ATOM 0 H TYR A 82 -4.004 5.826 3.365 1.00 0.89 H new ATOM 0 HA TYR A 82 -4.882 5.204 0.684 1.00 0.81 H new ATOM 0 HB2 TYR A 82 -2.049 6.148 1.340 1.00 0.88 H new ATOM 0 HB3 TYR A 82 -2.422 5.249 -0.117 1.00 0.88 H new ATOM 0 HD1 TYR A 82 -3.891 6.263 -1.887 1.00 1.50 H new ATOM 0 HD2 TYR A 82 -2.555 8.484 1.554 1.00 2.06 H new ATOM 0 HE1 TYR A 82 -4.448 8.386 -3.046 1.00 1.47 H new ATOM 0 HE2 TYR A 82 -3.324 10.594 0.492 1.00 2.11 H new ATOM 0 HH TYR A 82 -4.170 11.548 -1.361 1.00 0.91 H new ATOM 1282 N HIS A 83 -3.830 2.894 0.772 1.00 0.67 N ATOM 1283 CA HIS A 83 -3.367 1.499 0.853 1.00 0.57 C ATOM 1284 C HIS A 83 -3.421 0.778 -0.499 1.00 0.49 C ATOM 1285 O HIS A 83 -4.254 1.101 -1.340 1.00 0.53 O ATOM 1286 CB HIS A 83 -4.196 0.726 1.878 1.00 0.68 C ATOM 1287 CG HIS A 83 -5.676 0.698 1.598 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -6.550 1.757 1.734 1.00 0.66 N ATOM 1289 CD2 HIS A 83 -6.383 -0.334 1.040 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -7.733 1.385 1.231 1.00 0.65 C ATOM 1291 NE2 HIS A 83 -7.689 0.102 0.846 1.00 0.67 N ATOM 0 H HIS A 83 -4.377 3.082 -0.068 1.00 0.67 H new ATOM 0 HA HIS A 83 -2.323 1.532 1.164 1.00 0.57 H new ATOM 0 HB2 HIS A 83 -3.829 -0.299 1.923 1.00 0.68 H new ATOM 0 HB3 HIS A 83 -4.034 1.166 2.862 1.00 0.68 H new ATOM 0 HD1 HIS A 83 -6.333 2.664 2.146 1.00 0.66 H new ATOM 0 HD2 HIS A 83 -5.995 -1.312 0.795 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -8.598 2.026 1.147 1.00 0.65 H new ATOM 1299 N PHE A 84 -2.646 -0.295 -0.665 1.00 0.46 N ATOM 1300 CA PHE A 84 -2.977 -1.307 -1.675 1.00 0.51 C ATOM 1301 C PHE A 84 -4.084 -2.222 -1.142 1.00 0.59 C ATOM 1302 O PHE A 84 -4.043 -2.575 0.030 1.00 0.74 O ATOM 1303 CB PHE A 84 -1.735 -2.134 -2.007 1.00 0.53 C ATOM 1304 CG PHE A 84 -0.688 -1.289 -2.677 1.00 0.49 C ATOM 1305 CD1 PHE A 84 -0.799 -1.046 -4.056 1.00 1.85 C ATOM 1306 CD2 PHE A 84 0.301 -0.644 -1.913 1.00 2.07 C ATOM 1307 CE1 PHE A 84 0.064 -0.132 -4.668 1.00 1.74 C ATOM 1308 CE2 PHE A 84 1.152 0.288 -2.528 1.00 2.27 C ATOM 1309 CZ PHE A 84 1.017 0.556 -3.898 1.00 0.87 C ATOM 0 H PHE A 84 -1.801 -0.486 -0.126 1.00 0.46 H new ATOM 0 HA PHE A 84 -3.326 -0.811 -2.581 1.00 0.51 H new ATOM 0 HB2 PHE A 84 -1.328 -2.568 -1.094 1.00 0.53 H new ATOM 0 HB3 PHE A 84 -2.010 -2.963 -2.659 1.00 0.53 H new ATOM 0 HD1 PHE A 84 -1.547 -1.562 -4.640 1.00 1.85 H new ATOM 0 HD2 PHE A 84 0.405 -0.864 -0.861 1.00 2.07 H new ATOM 0 HE1 PHE A 84 -0.002 0.045 -5.731 1.00 1.74 H new ATOM 0 HE2 PHE A 84 1.908 0.797 -1.948 1.00 2.27 H new ATOM 0 HZ PHE A 84 1.650 1.296 -4.364 1.00 0.87 H new ATOM 1319 N MET A 85 -5.031 -2.647 -1.981 1.00 0.54 N ATOM 1320 CA MET A 85 -6.045 -3.686 -1.725 1.00 0.60 C ATOM 1321 C MET A 85 -5.571 -4.993 -2.362 1.00 0.62 C ATOM 1322 O MET A 85 -5.235 -4.992 -3.542 1.00 0.60 O ATOM 1323 CB MET A 85 -7.389 -3.275 -2.325 1.00 0.68 C ATOM 1324 CG MET A 85 -8.583 -4.030 -1.714 1.00 0.90 C ATOM 1325 SD MET A 85 -9.388 -3.238 -0.280 1.00 1.11 S ATOM 1326 CE MET A 85 -8.665 -4.186 1.087 1.00 0.78 C ATOM 0 H MET A 85 -5.120 -2.253 -2.918 1.00 0.54 H new ATOM 0 HA MET A 85 -6.174 -3.816 -0.651 1.00 0.60 H new ATOM 0 HB2 MET A 85 -7.532 -2.204 -2.180 1.00 0.68 H new ATOM 0 HB3 MET A 85 -7.368 -3.451 -3.401 1.00 0.68 H new ATOM 0 HG2 MET A 85 -9.333 -4.173 -2.492 1.00 0.90 H new ATOM 0 HG3 MET A 85 -8.244 -5.021 -1.412 1.00 0.90 H new ATOM 0 HE1 MET A 85 -9.019 -3.784 2.036 1.00 0.78 H new ATOM 0 HE2 MET A 85 -8.962 -5.231 1.002 1.00 0.78 H new ATOM 0 HE3 MET A 85 -7.578 -4.113 1.045 1.00 0.78 H new ATOM 1336 N LEU A 86 -5.498 -6.085 -1.600 1.00 0.73 N ATOM 1337 CA LEU A 86 -4.929 -7.369 -2.025 1.00 0.72 C ATOM 1338 C LEU A 86 -6.011 -8.455 -1.924 1.00 0.65 C ATOM 1339 O LEU A 86 -6.454 -8.791 -0.826 1.00 0.58 O ATOM 1340 CB LEU A 86 -3.741 -7.743 -1.113 1.00 0.72 C ATOM 1341 CG LEU A 86 -2.379 -7.046 -1.324 1.00 0.84 C ATOM 1342 CD1 LEU A 86 -2.412 -5.521 -1.167 1.00 1.41 C ATOM 1343 CD2 LEU A 86 -1.387 -7.607 -0.293 1.00 1.15 C ATOM 0 H LEU A 86 -5.843 -6.103 -0.640 1.00 0.73 H new ATOM 0 HA LEU A 86 -4.578 -7.288 -3.054 1.00 0.72 H new ATOM 0 HB2 LEU A 86 -4.047 -7.559 -0.083 1.00 0.72 H new ATOM 0 HB3 LEU A 86 -3.578 -8.816 -1.210 1.00 0.72 H new ATOM 0 HG LEU A 86 -2.087 -7.248 -2.355 1.00 0.84 H new ATOM 0 HD11 LEU A 86 -1.413 -5.117 -1.332 1.00 1.41 H new ATOM 0 HD12 LEU A 86 -3.101 -5.095 -1.896 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -2.745 -5.266 -0.161 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.417 -7.128 -0.424 1.00 1.15 H new ATOM 0 HD22 LEU A 86 -1.757 -7.409 0.713 1.00 1.15 H new ATOM 0 HD23 LEU A 86 -1.283 -8.683 -0.436 1.00 1.15 H new ATOM 1355 N LEU A 87 -6.453 -8.995 -3.055 1.00 0.81 N ATOM 1356 CA LEU A 87 -7.557 -9.947 -3.160 1.00 0.82 C ATOM 1357 C LEU A 87 -7.031 -11.376 -3.394 1.00 0.83 C ATOM 1358 O LEU A 87 -5.929 -11.600 -3.914 1.00 0.89 O ATOM 1359 CB LEU A 87 -8.500 -9.502 -4.301 1.00 0.97 C ATOM 1360 CG LEU A 87 -9.381 -8.241 -4.124 1.00 0.99 C ATOM 1361 CD1 LEU A 87 -10.396 -8.405 -2.987 1.00 2.13 C ATOM 1362 CD2 LEU A 87 -8.597 -6.936 -3.914 1.00 2.05 C ATOM 0 H LEU A 87 -6.037 -8.774 -3.960 1.00 0.81 H new ATOM 0 HA LEU A 87 -8.114 -9.960 -2.223 1.00 0.82 H new ATOM 0 HB2 LEU A 87 -7.886 -9.348 -5.188 1.00 0.97 H new ATOM 0 HB3 LEU A 87 -9.167 -10.337 -4.516 1.00 0.97 H new ATOM 0 HG LEU A 87 -9.901 -8.151 -5.078 1.00 0.99 H new ATOM 0 HD11 LEU A 87 -10.993 -7.497 -2.898 1.00 2.13 H new ATOM 0 HD12 LEU A 87 -11.050 -9.250 -3.202 1.00 2.13 H new ATOM 0 HD13 LEU A 87 -9.868 -8.585 -2.051 1.00 2.13 H new ATOM 0 HD21 LEU A 87 -9.295 -6.107 -3.799 1.00 2.05 H new ATOM 0 HD22 LEU A 87 -7.983 -7.020 -3.017 1.00 2.05 H new ATOM 0 HD23 LEU A 87 -7.956 -6.754 -4.776 1.00 2.05 H new ATOM 1374 N GLY A 88 -7.850 -12.356 -3.003 1.00 0.88 N ATOM 1375 CA GLY A 88 -7.664 -13.797 -3.218 1.00 1.00 C ATOM 1376 C GLY A 88 -6.818 -14.459 -2.133 1.00 1.45 C ATOM 1377 O GLY A 88 -7.197 -15.493 -1.594 1.00 2.99 O ATOM 0 H GLY A 88 -8.713 -12.155 -2.498 1.00 0.88 H new ATOM 0 HA2 GLY A 88 -8.640 -14.282 -3.256 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.191 -13.956 -4.187 1.00 1.00 H new ATOM 1381 N LEU A 89 -5.672 -13.835 -1.844 1.00 0.52 N ATOM 1382 CA LEU A 89 -4.579 -14.278 -0.986 1.00 0.52 C ATOM 1383 C LEU A 89 -4.045 -15.690 -1.282 1.00 0.55 C ATOM 1384 O LEU A 89 -4.527 -16.427 -2.139 1.00 0.83 O ATOM 1385 CB LEU A 89 -4.962 -14.096 0.483 1.00 0.61 C ATOM 1386 CG LEU A 89 -5.425 -12.685 0.900 1.00 0.56 C ATOM 1387 CD1 LEU A 89 -5.485 -12.634 2.429 1.00 0.68 C ATOM 1388 CD2 LEU A 89 -4.523 -11.548 0.394 1.00 0.45 C ATOM 0 H LEU A 89 -5.471 -12.919 -2.246 1.00 0.52 H new ATOM 0 HA LEU A 89 -3.731 -13.635 -1.220 1.00 0.52 H new ATOM 0 HB2 LEU A 89 -5.759 -14.801 0.718 1.00 0.61 H new ATOM 0 HB3 LEU A 89 -4.104 -14.369 1.097 1.00 0.61 H new ATOM 0 HG LEU A 89 -6.400 -12.522 0.441 1.00 0.56 H new ATOM 0 HD11 LEU A 89 -5.811 -11.644 2.748 1.00 0.68 H new ATOM 0 HD12 LEU A 89 -6.191 -13.382 2.791 1.00 0.68 H new ATOM 0 HD13 LEU A 89 -4.496 -12.840 2.839 1.00 0.68 H new ATOM 0 HD21 LEU A 89 -4.920 -10.591 0.732 1.00 0.45 H new ATOM 0 HD22 LEU A 89 -3.515 -11.681 0.786 1.00 0.45 H new ATOM 0 HD23 LEU A 89 -4.493 -11.564 -0.695 1.00 0.45 H new ATOM 1400 N LYS A 90 -2.953 -16.001 -0.588 1.00 0.66 N ATOM 1401 CA LYS A 90 -2.160 -17.225 -0.677 1.00 0.70 C ATOM 1402 C LYS A 90 -1.719 -17.770 0.692 1.00 0.79 C ATOM 1403 O LYS A 90 -1.388 -18.949 0.834 1.00 0.87 O ATOM 1404 CB LYS A 90 -0.919 -16.890 -1.504 1.00 0.77 C ATOM 1405 CG LYS A 90 -1.148 -16.140 -2.842 1.00 0.81 C ATOM 1406 CD LYS A 90 -1.981 -16.971 -3.806 1.00 1.05 C ATOM 1407 CE LYS A 90 -2.862 -16.189 -4.792 1.00 1.60 C ATOM 1408 NZ LYS A 90 -4.173 -16.871 -4.980 1.00 2.55 N ATOM 0 H LYS A 90 -2.571 -15.356 0.103 1.00 0.66 H new ATOM 0 HA LYS A 90 -2.775 -18.002 -1.131 1.00 0.70 H new ATOM 0 HB2 LYS A 90 -0.253 -16.287 -0.887 1.00 0.77 H new ATOM 0 HB3 LYS A 90 -0.396 -17.821 -1.722 1.00 0.77 H new ATOM 0 HG2 LYS A 90 -1.650 -15.192 -2.649 1.00 0.81 H new ATOM 0 HG3 LYS A 90 -0.187 -15.905 -3.299 1.00 0.81 H new ATOM 0 HD2 LYS A 90 -1.307 -17.607 -4.380 1.00 1.05 H new ATOM 0 HD3 LYS A 90 -2.623 -17.631 -3.222 1.00 1.05 H new ATOM 0 HE2 LYS A 90 -3.023 -15.177 -4.420 1.00 1.60 H new ATOM 0 HE3 LYS A 90 -2.352 -16.099 -5.751 1.00 1.60 H new ATOM 0 HZ1 LYS A 90 -4.663 -16.462 -5.801 1.00 2.55 H new ATOM 0 HZ2 LYS A 90 -4.016 -17.886 -5.141 1.00 2.55 H new ATOM 0 HZ3 LYS A 90 -4.757 -16.742 -4.129 1.00 2.55 H new ATOM 1422 N ARG A 91 -1.685 -16.882 1.688 1.00 0.87 N ATOM 1423 CA ARG A 91 -1.392 -17.108 3.095 1.00 0.95 C ATOM 1424 C ARG A 91 -2.383 -16.294 3.957 1.00 0.98 C ATOM 1425 O ARG A 91 -2.692 -15.170 3.556 1.00 0.94 O ATOM 1426 CB ARG A 91 0.025 -16.578 3.385 1.00 1.07 C ATOM 1427 CG ARG A 91 1.170 -17.243 2.597 1.00 1.17 C ATOM 1428 CD ARG A 91 1.313 -18.751 2.825 1.00 2.10 C ATOM 1429 NE ARG A 91 1.794 -19.064 4.182 1.00 2.82 N ATOM 1430 CZ ARG A 91 1.920 -20.282 4.697 1.00 4.05 C ATOM 1431 NH1 ARG A 91 1.530 -21.353 4.037 1.00 4.83 N ATOM 1432 NH2 ARG A 91 2.448 -20.435 5.893 1.00 4.94 N ATOM 0 H ARG A 91 -1.881 -15.897 1.507 1.00 0.87 H new ATOM 0 HA ARG A 91 -1.472 -18.171 3.324 1.00 0.95 H new ATOM 0 HB2 ARG A 91 0.041 -15.508 3.177 1.00 1.07 H new ATOM 0 HB3 ARG A 91 0.226 -16.698 4.450 1.00 1.07 H new ATOM 0 HG2 ARG A 91 1.013 -17.063 1.533 1.00 1.17 H new ATOM 0 HG3 ARG A 91 2.108 -16.758 2.867 1.00 1.17 H new ATOM 0 HD2 ARG A 91 0.350 -19.235 2.662 1.00 2.10 H new ATOM 0 HD3 ARG A 91 2.005 -19.164 2.091 1.00 2.10 H new ATOM 0 HE ARG A 91 2.053 -18.277 4.778 1.00 2.82 H new ATOM 0 HH11 ARG A 91 1.120 -21.258 3.108 1.00 4.83 H new ATOM 0 HH12 ARG A 91 1.638 -22.277 4.455 1.00 4.83 H new ATOM 0 HH21 ARG A 91 2.759 -19.620 6.421 1.00 4.94 H new ATOM 0 HH22 ARG A 91 2.546 -21.369 6.291 1.00 4.94 H new ATOM 1446 N PRO A 92 -2.832 -16.805 5.119 1.00 1.16 N ATOM 1447 CA PRO A 92 -3.305 -15.963 6.208 1.00 1.34 C ATOM 1448 C PRO A 92 -2.092 -15.295 6.863 1.00 1.33 C ATOM 1449 O PRO A 92 -1.025 -15.905 6.937 1.00 1.53 O ATOM 1450 CB PRO A 92 -4.020 -16.920 7.164 1.00 1.60 C ATOM 1451 CG PRO A 92 -3.232 -18.223 7.006 1.00 1.56 C ATOM 1452 CD PRO A 92 -2.773 -18.200 5.545 1.00 1.31 C ATOM 0 HA PRO A 92 -3.979 -15.166 5.892 1.00 1.34 H new ATOM 0 HB2 PRO A 92 -3.996 -16.556 8.191 1.00 1.60 H new ATOM 0 HB3 PRO A 92 -5.069 -17.048 6.896 1.00 1.60 H new ATOM 0 HG2 PRO A 92 -2.385 -18.263 7.691 1.00 1.56 H new ATOM 0 HG3 PRO A 92 -3.853 -19.094 7.216 1.00 1.56 H new ATOM 0 HD2 PRO A 92 -1.761 -18.593 5.449 1.00 1.31 H new ATOM 0 HD3 PRO A 92 -3.417 -18.823 4.925 1.00 1.31 H new ATOM 1460 N LEU A 93 -2.247 -14.053 7.333 1.00 1.43 N ATOM 1461 CA LEU A 93 -1.170 -13.271 7.939 1.00 1.45 C ATOM 1462 C LEU A 93 -1.333 -13.190 9.469 1.00 1.52 C ATOM 1463 O LEU A 93 -2.320 -12.657 9.972 1.00 1.99 O ATOM 1464 CB LEU A 93 -1.117 -11.859 7.309 1.00 1.72 C ATOM 1465 CG LEU A 93 -0.832 -11.719 5.793 1.00 1.32 C ATOM 1466 CD1 LEU A 93 0.295 -12.639 5.302 1.00 2.17 C ATOM 1467 CD2 LEU A 93 -2.086 -11.894 4.919 1.00 1.38 C ATOM 0 H LEU A 93 -3.138 -13.558 7.302 1.00 1.43 H new ATOM 0 HA LEU A 93 -0.224 -13.775 7.738 1.00 1.45 H new ATOM 0 HB2 LEU A 93 -2.072 -11.374 7.510 1.00 1.72 H new ATOM 0 HB3 LEU A 93 -0.353 -11.291 7.840 1.00 1.72 H new ATOM 0 HG LEU A 93 -0.492 -10.690 5.677 1.00 1.32 H new ATOM 0 HD11 LEU A 93 0.445 -12.492 4.232 1.00 2.17 H new ATOM 0 HD12 LEU A 93 1.217 -12.401 5.833 1.00 2.17 H new ATOM 0 HD13 LEU A 93 0.025 -13.678 5.491 1.00 2.17 H new ATOM 0 HD21 LEU A 93 -1.816 -11.784 3.869 1.00 1.38 H new ATOM 0 HD22 LEU A 93 -2.508 -12.885 5.083 1.00 1.38 H new ATOM 0 HD23 LEU A 93 -2.824 -11.137 5.185 1.00 1.38 H new ATOM 1479 N LYS A 94 -0.346 -13.692 10.219 1.00 1.34 N ATOM 1480 CA LYS A 94 -0.240 -13.486 11.673 1.00 1.52 C ATOM 1481 C LYS A 94 0.468 -12.170 12.022 1.00 1.38 C ATOM 1482 O LYS A 94 1.150 -11.563 11.201 1.00 1.78 O ATOM 1483 CB LYS A 94 0.540 -14.630 12.352 1.00 2.05 C ATOM 1484 CG LYS A 94 0.400 -16.045 11.780 1.00 1.85 C ATOM 1485 CD LYS A 94 1.261 -16.972 12.656 1.00 2.73 C ATOM 1486 CE LYS A 94 1.659 -18.283 11.967 1.00 3.15 C ATOM 1487 NZ LYS A 94 2.745 -18.056 10.983 1.00 3.85 N ATOM 0 H LYS A 94 0.410 -14.258 9.833 1.00 1.34 H new ATOM 0 HA LYS A 94 -1.266 -13.458 12.040 1.00 1.52 H new ATOM 0 HB2 LYS A 94 1.598 -14.367 12.334 1.00 2.05 H new ATOM 0 HB3 LYS A 94 0.237 -14.663 13.399 1.00 2.05 H new ATOM 0 HG2 LYS A 94 -0.642 -16.364 11.790 1.00 1.85 H new ATOM 0 HG3 LYS A 94 0.733 -16.076 10.743 1.00 1.85 H new ATOM 0 HD2 LYS A 94 2.165 -16.440 12.953 1.00 2.73 H new ATOM 0 HD3 LYS A 94 0.714 -17.204 13.570 1.00 2.73 H new ATOM 0 HE2 LYS A 94 1.985 -19.006 12.714 1.00 3.15 H new ATOM 0 HE3 LYS A 94 0.792 -18.712 11.465 1.00 3.15 H new ATOM 0 HZ1 LYS A 94 3.290 -18.933 10.859 1.00 3.85 H new ATOM 0 HZ2 LYS A 94 2.333 -17.772 10.071 1.00 3.85 H new ATOM 0 HZ3 LYS A 94 3.374 -17.303 11.328 1.00 3.85 H new ATOM 1501 N ALA A 95 0.423 -11.810 13.300 1.00 1.42 N ATOM 1502 CA ALA A 95 1.389 -10.902 13.886 1.00 1.42 C ATOM 1503 C ALA A 95 2.785 -11.530 13.812 1.00 1.34 C ATOM 1504 O ALA A 95 2.948 -12.715 14.101 1.00 1.50 O ATOM 1505 CB ALA A 95 0.978 -10.675 15.340 1.00 1.81 C ATOM 0 H ALA A 95 -0.286 -12.142 13.954 1.00 1.42 H new ATOM 0 HA ALA A 95 1.415 -9.952 13.352 1.00 1.42 H new ATOM 0 HB1 ALA A 95 1.684 -9.994 15.816 1.00 1.81 H new ATOM 0 HB2 ALA A 95 -0.022 -10.242 15.372 1.00 1.81 H new ATOM 0 HB3 ALA A 95 0.978 -11.627 15.871 1.00 1.81 H new ATOM 1511 N GLY A 96 3.773 -10.725 13.442 1.00 1.29 N ATOM 1512 CA GLY A 96 5.184 -11.126 13.436 1.00 1.46 C ATOM 1513 C GLY A 96 5.607 -11.979 12.240 1.00 1.35 C ATOM 1514 O GLY A 96 6.729 -12.472 12.246 1.00 1.75 O ATOM 0 H GLY A 96 3.621 -9.765 13.134 1.00 1.29 H new ATOM 0 HA2 GLY A 96 5.802 -10.228 13.460 1.00 1.46 H new ATOM 0 HA3 GLY A 96 5.393 -11.681 14.351 1.00 1.46 H new ATOM 1518 N GLU A 97 4.756 -12.132 11.220 1.00 1.03 N ATOM 1519 CA GLU A 97 5.212 -12.554 9.897 1.00 0.97 C ATOM 1520 C GLU A 97 5.945 -11.377 9.226 1.00 0.89 C ATOM 1521 O GLU A 97 5.878 -10.225 9.673 1.00 0.86 O ATOM 1522 CB GLU A 97 4.045 -12.984 8.987 1.00 1.01 C ATOM 1523 CG GLU A 97 2.956 -13.891 9.570 1.00 1.31 C ATOM 1524 CD GLU A 97 3.323 -15.364 9.734 1.00 1.55 C ATOM 1525 OE1 GLU A 97 3.966 -15.734 10.740 1.00 3.14 O ATOM 1526 OE2 GLU A 97 2.780 -16.216 8.990 1.00 1.75 O ATOM 0 H GLU A 97 3.751 -11.970 11.287 1.00 1.03 H new ATOM 0 HA GLU A 97 5.870 -13.412 10.031 1.00 0.97 H new ATOM 0 HB2 GLU A 97 3.561 -12.079 8.620 1.00 1.01 H new ATOM 0 HB3 GLU A 97 4.470 -13.492 8.121 1.00 1.01 H new ATOM 0 HG2 GLU A 97 2.669 -13.499 10.546 1.00 1.31 H new ATOM 0 HG3 GLU A 97 2.077 -13.826 8.929 1.00 1.31 H new ATOM 1533 N GLU A 98 6.541 -11.660 8.073 1.00 0.90 N ATOM 1534 CA GLU A 98 7.118 -10.735 7.130 1.00 0.83 C ATOM 1535 C GLU A 98 6.877 -11.315 5.735 1.00 0.85 C ATOM 1536 O GLU A 98 6.706 -12.519 5.552 1.00 1.03 O ATOM 1537 CB GLU A 98 8.604 -10.448 7.430 1.00 0.98 C ATOM 1538 CG GLU A 98 9.546 -11.669 7.378 1.00 1.95 C ATOM 1539 CD GLU A 98 11.006 -11.319 7.717 1.00 2.31 C ATOM 1540 OE1 GLU A 98 11.305 -10.108 7.830 1.00 2.59 O ATOM 1541 OE2 GLU A 98 11.815 -12.261 7.857 1.00 3.36 O ATOM 0 H GLU A 98 6.636 -12.625 7.757 1.00 0.90 H new ATOM 0 HA GLU A 98 6.643 -9.757 7.204 1.00 0.83 H new ATOM 0 HB2 GLU A 98 8.962 -9.705 6.717 1.00 0.98 H new ATOM 0 HB3 GLU A 98 8.675 -9.999 8.421 1.00 0.98 H new ATOM 0 HG2 GLU A 98 9.189 -12.426 8.076 1.00 1.95 H new ATOM 0 HG3 GLU A 98 9.506 -12.109 6.382 1.00 1.95 H new ATOM 1548 N VAL A 99 6.786 -10.418 4.767 1.00 0.78 N ATOM 1549 CA VAL A 99 6.482 -10.669 3.352 1.00 0.88 C ATOM 1550 C VAL A 99 7.103 -9.567 2.488 1.00 0.73 C ATOM 1551 O VAL A 99 7.038 -8.389 2.832 1.00 0.64 O ATOM 1552 CB VAL A 99 4.959 -10.712 3.065 1.00 1.07 C ATOM 1553 CG1 VAL A 99 4.733 -11.295 1.661 1.00 1.53 C ATOM 1554 CG2 VAL A 99 4.106 -11.534 4.049 1.00 1.08 C ATOM 0 H VAL A 99 6.931 -9.426 4.953 1.00 0.78 H new ATOM 0 HA VAL A 99 6.901 -11.646 3.109 1.00 0.88 H new ATOM 0 HB VAL A 99 4.630 -9.678 3.169 1.00 1.07 H new ATOM 0 HG11 VAL A 99 3.664 -11.330 1.449 1.00 1.53 H new ATOM 0 HG12 VAL A 99 5.229 -10.666 0.922 1.00 1.53 H new ATOM 0 HG13 VAL A 99 5.145 -12.303 1.615 1.00 1.53 H new ATOM 0 HG21 VAL A 99 3.059 -11.491 3.747 1.00 1.08 H new ATOM 0 HG22 VAL A 99 4.443 -12.571 4.044 1.00 1.08 H new ATOM 0 HG23 VAL A 99 4.211 -11.123 5.053 1.00 1.08 H new ATOM 1564 N GLU A 100 7.659 -9.941 1.336 1.00 0.90 N ATOM 1565 CA GLU A 100 8.174 -8.987 0.349 1.00 0.80 C ATOM 1566 C GLU A 100 7.072 -8.348 -0.522 1.00 0.72 C ATOM 1567 O GLU A 100 6.102 -9.002 -0.919 1.00 0.73 O ATOM 1568 CB GLU A 100 9.277 -9.624 -0.517 1.00 0.95 C ATOM 1569 CG GLU A 100 8.868 -10.931 -1.218 1.00 1.39 C ATOM 1570 CD GLU A 100 9.871 -11.345 -2.296 1.00 1.64 C ATOM 1571 OE1 GLU A 100 11.096 -11.258 -2.078 1.00 2.24 O ATOM 1572 OE2 GLU A 100 9.438 -11.710 -3.409 1.00 2.47 O ATOM 0 H GLU A 100 7.766 -10.917 1.058 1.00 0.90 H new ATOM 0 HA GLU A 100 8.613 -8.169 0.920 1.00 0.80 H new ATOM 0 HB2 GLU A 100 9.588 -8.904 -1.274 1.00 0.95 H new ATOM 0 HB3 GLU A 100 10.146 -9.821 0.112 1.00 0.95 H new ATOM 0 HG2 GLU A 100 8.783 -11.727 -0.478 1.00 1.39 H new ATOM 0 HG3 GLU A 100 7.883 -10.807 -1.668 1.00 1.39 H new ATOM 1579 N LEU A 101 7.269 -7.067 -0.860 1.00 0.72 N ATOM 1580 CA LEU A 101 6.547 -6.341 -1.912 1.00 0.68 C ATOM 1581 C LEU A 101 7.519 -5.822 -2.986 1.00 0.63 C ATOM 1582 O LEU A 101 8.642 -5.412 -2.687 1.00 0.73 O ATOM 1583 CB LEU A 101 5.763 -5.138 -1.337 1.00 0.81 C ATOM 1584 CG LEU A 101 4.312 -5.402 -0.892 1.00 0.96 C ATOM 1585 CD1 LEU A 101 4.191 -6.310 0.337 1.00 1.87 C ATOM 1586 CD2 LEU A 101 3.621 -4.064 -0.595 1.00 1.80 C ATOM 0 H LEU A 101 7.963 -6.486 -0.390 1.00 0.72 H new ATOM 0 HA LEU A 101 5.845 -7.047 -2.356 1.00 0.68 H new ATOM 0 HB2 LEU A 101 6.315 -4.751 -0.481 1.00 0.81 H new ATOM 0 HB3 LEU A 101 5.749 -4.350 -2.090 1.00 0.81 H new ATOM 0 HG LEU A 101 3.830 -5.928 -1.716 1.00 0.96 H new ATOM 0 HD11 LEU A 101 3.139 -6.447 0.586 1.00 1.87 H new ATOM 0 HD12 LEU A 101 4.641 -7.279 0.120 1.00 1.87 H new ATOM 0 HD13 LEU A 101 4.707 -5.851 1.181 1.00 1.87 H new ATOM 0 HD21 LEU A 101 2.594 -4.247 -0.280 1.00 1.80 H new ATOM 0 HD22 LEU A 101 4.158 -3.546 0.200 1.00 1.80 H new ATOM 0 HD23 LEU A 101 3.620 -3.447 -1.494 1.00 1.80 H new ATOM 1598 N ASP A 102 7.026 -5.763 -4.225 1.00 0.62 N ATOM 1599 CA ASP A 102 7.601 -5.037 -5.365 1.00 0.64 C ATOM 1600 C ASP A 102 6.830 -3.739 -5.622 1.00 0.65 C ATOM 1601 O ASP A 102 5.644 -3.761 -5.962 1.00 0.81 O ATOM 1602 CB ASP A 102 7.547 -5.904 -6.636 1.00 0.81 C ATOM 1603 CG ASP A 102 8.844 -6.657 -6.904 1.00 1.50 C ATOM 1604 OD1 ASP A 102 9.907 -5.991 -6.935 1.00 2.84 O ATOM 1605 OD2 ASP A 102 8.759 -7.892 -7.078 1.00 1.59 O ATOM 0 H ASP A 102 6.165 -6.248 -4.477 1.00 0.62 H new ATOM 0 HA ASP A 102 8.638 -4.803 -5.123 1.00 0.64 H new ATOM 0 HB2 ASP A 102 6.731 -6.620 -6.545 1.00 0.81 H new ATOM 0 HB3 ASP A 102 7.320 -5.269 -7.492 1.00 0.81 H new ATOM 1610 N LEU A 103 7.511 -2.598 -5.484 1.00 0.71 N ATOM 1611 CA LEU A 103 6.973 -1.274 -5.764 1.00 0.78 C ATOM 1612 C LEU A 103 7.151 -0.975 -7.261 1.00 0.77 C ATOM 1613 O LEU A 103 8.278 -0.885 -7.757 1.00 0.87 O ATOM 1614 CB LEU A 103 7.705 -0.256 -4.868 1.00 0.84 C ATOM 1615 CG LEU A 103 7.264 -0.241 -3.389 1.00 0.87 C ATOM 1616 CD1 LEU A 103 7.189 -1.608 -2.692 1.00 0.86 C ATOM 1617 CD2 LEU A 103 8.200 0.685 -2.601 1.00 1.37 C ATOM 0 H LEU A 103 8.480 -2.575 -5.165 1.00 0.71 H new ATOM 0 HA LEU A 103 5.908 -1.214 -5.542 1.00 0.78 H new ATOM 0 HB2 LEU A 103 8.774 -0.464 -4.909 1.00 0.84 H new ATOM 0 HB3 LEU A 103 7.558 0.741 -5.284 1.00 0.84 H new ATOM 0 HG LEU A 103 6.235 0.119 -3.400 1.00 0.87 H new ATOM 0 HD11 LEU A 103 6.869 -1.473 -1.659 1.00 0.86 H new ATOM 0 HD12 LEU A 103 6.473 -2.243 -3.213 1.00 0.86 H new ATOM 0 HD13 LEU A 103 8.172 -2.079 -2.709 1.00 0.86 H new ATOM 0 HD21 LEU A 103 7.897 0.703 -1.554 1.00 1.37 H new ATOM 0 HD22 LEU A 103 9.223 0.318 -2.677 1.00 1.37 H new ATOM 0 HD23 LEU A 103 8.145 1.693 -3.012 1.00 1.37 H new ATOM 1629 N LEU A 104 6.030 -0.849 -7.979 1.00 0.67 N ATOM 1630 CA LEU A 104 5.988 -0.655 -9.431 1.00 0.63 C ATOM 1631 C LEU A 104 5.990 0.855 -9.733 1.00 0.66 C ATOM 1632 O LEU A 104 5.038 1.570 -9.402 1.00 0.74 O ATOM 1633 CB LEU A 104 4.743 -1.367 -10.024 1.00 0.67 C ATOM 1634 CG LEU A 104 4.493 -2.826 -9.566 1.00 0.83 C ATOM 1635 CD1 LEU A 104 3.219 -3.370 -10.225 1.00 1.01 C ATOM 1636 CD2 LEU A 104 5.658 -3.766 -9.880 1.00 0.87 C ATOM 0 H LEU A 104 5.103 -0.880 -7.555 1.00 0.67 H new ATOM 0 HA LEU A 104 6.866 -1.098 -9.900 1.00 0.63 H new ATOM 0 HB2 LEU A 104 3.862 -0.776 -9.774 1.00 0.67 H new ATOM 0 HB3 LEU A 104 4.833 -1.362 -11.110 1.00 0.67 H new ATOM 0 HG LEU A 104 4.385 -2.794 -8.482 1.00 0.83 H new ATOM 0 HD11 LEU A 104 3.050 -4.396 -9.898 1.00 1.01 H new ATOM 0 HD12 LEU A 104 2.368 -2.753 -9.937 1.00 1.01 H new ATOM 0 HD13 LEU A 104 3.332 -3.348 -11.309 1.00 1.01 H new ATOM 0 HD21 LEU A 104 5.418 -4.771 -9.533 1.00 0.87 H new ATOM 0 HD22 LEU A 104 5.830 -3.785 -10.956 1.00 0.87 H new ATOM 0 HD23 LEU A 104 6.557 -3.413 -9.375 1.00 0.87 H new ATOM 1648 N PHE A 105 7.055 1.358 -10.358 1.00 0.66 N ATOM 1649 CA PHE A 105 7.320 2.780 -10.580 1.00 0.76 C ATOM 1650 C PHE A 105 7.261 3.164 -12.067 1.00 0.82 C ATOM 1651 O PHE A 105 8.101 2.740 -12.860 1.00 1.17 O ATOM 1652 CB PHE A 105 8.712 3.114 -10.036 1.00 0.79 C ATOM 1653 CG PHE A 105 8.795 3.116 -8.526 1.00 0.78 C ATOM 1654 CD1 PHE A 105 8.143 4.120 -7.789 1.00 1.92 C ATOM 1655 CD2 PHE A 105 9.526 2.117 -7.858 1.00 1.90 C ATOM 1656 CE1 PHE A 105 8.252 4.152 -6.390 1.00 1.94 C ATOM 1657 CE2 PHE A 105 9.630 2.147 -6.458 1.00 1.88 C ATOM 1658 CZ PHE A 105 9.008 3.172 -5.726 1.00 0.82 C ATOM 0 H PHE A 105 7.788 0.760 -10.740 1.00 0.66 H new ATOM 0 HA PHE A 105 6.545 3.346 -10.063 1.00 0.76 H new ATOM 0 HB2 PHE A 105 9.428 2.392 -10.429 1.00 0.79 H new ATOM 0 HB3 PHE A 105 9.011 4.094 -10.408 1.00 0.79 H new ATOM 0 HD1 PHE A 105 7.557 4.869 -8.301 1.00 1.92 H new ATOM 0 HD2 PHE A 105 10.006 1.329 -8.420 1.00 1.90 H new ATOM 0 HE1 PHE A 105 7.756 4.928 -5.826 1.00 1.94 H new ATOM 0 HE2 PHE A 105 10.190 1.380 -5.943 1.00 1.88 H new ATOM 0 HZ PHE A 105 9.111 3.207 -4.651 1.00 0.82 H new ATOM 1668 N ALA A 106 6.318 4.040 -12.429 1.00 0.71 N ATOM 1669 CA ALA A 106 6.203 4.673 -13.750 1.00 0.85 C ATOM 1670 C ALA A 106 6.163 3.664 -14.923 1.00 1.41 C ATOM 1671 O ALA A 106 6.622 3.970 -16.025 1.00 2.14 O ATOM 1672 CB ALA A 106 7.326 5.719 -13.893 1.00 1.71 C ATOM 0 H ALA A 106 5.585 4.340 -11.786 1.00 0.71 H new ATOM 0 HA ALA A 106 5.236 5.173 -13.810 1.00 0.85 H new ATOM 0 HB1 ALA A 106 7.255 6.198 -14.869 1.00 1.71 H new ATOM 0 HB2 ALA A 106 7.224 6.471 -13.111 1.00 1.71 H new ATOM 0 HB3 ALA A 106 8.295 5.228 -13.800 1.00 1.71 H new ATOM 1678 N GLY A 107 5.695 2.435 -14.667 1.00 2.47 N ATOM 1679 CA GLY A 107 5.726 1.307 -15.605 1.00 3.64 C ATOM 1680 C GLY A 107 7.113 0.667 -15.700 1.00 3.08 C ATOM 1681 O GLY A 107 7.301 -0.462 -15.262 1.00 4.38 O ATOM 0 H GLY A 107 5.271 2.192 -13.772 1.00 2.47 H new ATOM 0 HA2 GLY A 107 5.003 0.555 -15.289 1.00 3.64 H new ATOM 0 HA3 GLY A 107 5.419 1.650 -16.593 1.00 3.64 H new ATOM 1685 N GLY A 108 8.079 1.388 -16.279 1.00 1.55 N ATOM 1686 CA GLY A 108 9.377 0.845 -16.717 1.00 1.54 C ATOM 1687 C GLY A 108 10.419 0.588 -15.620 1.00 1.35 C ATOM 1688 O GLY A 108 11.539 0.198 -15.942 1.00 1.81 O ATOM 0 H GLY A 108 7.982 2.387 -16.462 1.00 1.55 H new ATOM 0 HA2 GLY A 108 9.195 -0.094 -17.240 1.00 1.54 H new ATOM 0 HA3 GLY A 108 9.808 1.536 -17.442 1.00 1.54 H new ATOM 1692 N LYS A 109 10.098 0.817 -14.341 1.00 0.87 N ATOM 1693 CA LYS A 109 10.956 0.483 -13.193 1.00 0.76 C ATOM 1694 C LYS A 109 10.178 -0.310 -12.135 1.00 0.68 C ATOM 1695 O LYS A 109 9.052 0.039 -11.807 1.00 0.78 O ATOM 1696 CB LYS A 109 11.521 1.781 -12.587 1.00 0.77 C ATOM 1697 CG LYS A 109 12.721 2.299 -13.395 1.00 1.10 C ATOM 1698 CD LYS A 109 13.080 3.759 -13.078 1.00 1.37 C ATOM 1699 CE LYS A 109 12.025 4.721 -13.642 1.00 2.16 C ATOM 1700 NZ LYS A 109 12.427 6.143 -13.483 1.00 2.85 N ATOM 0 H LYS A 109 9.216 1.249 -14.067 1.00 0.87 H new ATOM 0 HA LYS A 109 11.778 -0.145 -13.537 1.00 0.76 H new ATOM 0 HB2 LYS A 109 10.741 2.542 -12.562 1.00 0.77 H new ATOM 0 HB3 LYS A 109 11.825 1.601 -11.556 1.00 0.77 H new ATOM 0 HG2 LYS A 109 13.586 1.667 -13.194 1.00 1.10 H new ATOM 0 HG3 LYS A 109 12.501 2.209 -14.459 1.00 1.10 H new ATOM 0 HD2 LYS A 109 13.158 3.892 -11.999 1.00 1.37 H new ATOM 0 HD3 LYS A 109 14.056 3.997 -13.500 1.00 1.37 H new ATOM 0 HE2 LYS A 109 11.865 4.505 -14.698 1.00 2.16 H new ATOM 0 HE3 LYS A 109 11.074 4.554 -13.135 1.00 2.16 H new ATOM 0 HZ1 LYS A 109 11.687 6.759 -13.877 1.00 2.85 H new ATOM 0 HZ2 LYS A 109 12.555 6.357 -12.473 1.00 2.85 H new ATOM 0 HZ3 LYS A 109 13.321 6.310 -13.988 1.00 2.85 H new ATOM 1714 N VAL A 110 10.812 -1.326 -11.555 1.00 0.70 N ATOM 1715 CA VAL A 110 10.270 -2.164 -10.474 1.00 0.69 C ATOM 1716 C VAL A 110 11.381 -2.396 -9.446 1.00 0.73 C ATOM 1717 O VAL A 110 12.550 -2.487 -9.831 1.00 0.92 O ATOM 1718 CB VAL A 110 9.727 -3.504 -11.034 1.00 0.89 C ATOM 1719 CG1 VAL A 110 9.313 -4.473 -9.918 1.00 1.87 C ATOM 1720 CG2 VAL A 110 8.541 -3.257 -11.981 1.00 2.17 C ATOM 0 H VAL A 110 11.754 -1.604 -11.831 1.00 0.70 H new ATOM 0 HA VAL A 110 9.431 -1.660 -9.995 1.00 0.69 H new ATOM 0 HB VAL A 110 10.541 -3.968 -11.591 1.00 0.89 H new ATOM 0 HG11 VAL A 110 8.939 -5.397 -10.359 1.00 1.87 H new ATOM 0 HG12 VAL A 110 10.176 -4.694 -9.289 1.00 1.87 H new ATOM 0 HG13 VAL A 110 8.530 -4.017 -9.312 1.00 1.87 H new ATOM 0 HG21 VAL A 110 8.175 -4.210 -12.363 1.00 2.17 H new ATOM 0 HG22 VAL A 110 7.741 -2.752 -11.439 1.00 2.17 H new ATOM 0 HG23 VAL A 110 8.864 -2.633 -12.814 1.00 2.17 H new ATOM 1730 N LEU A 111 11.039 -2.414 -8.153 1.00 0.66 N ATOM 1731 CA LEU A 111 12.020 -2.345 -7.069 1.00 0.78 C ATOM 1732 C LEU A 111 11.502 -2.991 -5.771 1.00 0.78 C ATOM 1733 O LEU A 111 10.641 -2.442 -5.084 1.00 1.21 O ATOM 1734 CB LEU A 111 12.396 -0.857 -6.902 1.00 1.12 C ATOM 1735 CG LEU A 111 13.337 -0.538 -5.731 1.00 1.11 C ATOM 1736 CD1 LEU A 111 14.664 -1.307 -5.807 1.00 2.21 C ATOM 1737 CD2 LEU A 111 13.613 0.968 -5.676 1.00 2.27 C ATOM 0 H LEU A 111 10.073 -2.477 -7.830 1.00 0.66 H new ATOM 0 HA LEU A 111 12.910 -2.925 -7.315 1.00 0.78 H new ATOM 0 HB2 LEU A 111 12.864 -0.513 -7.825 1.00 1.12 H new ATOM 0 HB3 LEU A 111 11.479 -0.281 -6.775 1.00 1.12 H new ATOM 0 HG LEU A 111 12.831 -0.860 -4.821 1.00 1.11 H new ATOM 0 HD11 LEU A 111 15.288 -1.041 -4.954 1.00 2.21 H new ATOM 0 HD12 LEU A 111 14.465 -2.379 -5.791 1.00 2.21 H new ATOM 0 HD13 LEU A 111 15.182 -1.048 -6.730 1.00 2.21 H new ATOM 0 HD21 LEU A 111 14.281 1.185 -4.843 1.00 2.27 H new ATOM 0 HD22 LEU A 111 14.080 1.287 -6.608 1.00 2.27 H new ATOM 0 HD23 LEU A 111 12.675 1.505 -5.538 1.00 2.27 H new ATOM 1749 N LYS A 112 12.094 -4.127 -5.396 1.00 0.87 N ATOM 1750 CA LYS A 112 11.596 -4.970 -4.304 1.00 0.93 C ATOM 1751 C LYS A 112 12.040 -4.503 -2.904 1.00 1.02 C ATOM 1752 O LYS A 112 13.091 -3.868 -2.750 1.00 1.23 O ATOM 1753 CB LYS A 112 11.962 -6.444 -4.593 1.00 1.14 C ATOM 1754 CG LYS A 112 10.868 -7.394 -4.074 1.00 1.32 C ATOM 1755 CD LYS A 112 10.861 -8.765 -4.755 1.00 1.60 C ATOM 1756 CE LYS A 112 12.061 -9.631 -4.379 1.00 1.61 C ATOM 1757 NZ LYS A 112 11.790 -11.046 -4.721 1.00 2.19 N ATOM 0 H LYS A 112 12.936 -4.491 -5.842 1.00 0.87 H new ATOM 0 HA LYS A 112 10.511 -4.875 -4.275 1.00 0.93 H new ATOM 0 HB2 LYS A 112 12.094 -6.586 -5.666 1.00 1.14 H new ATOM 0 HB3 LYS A 112 12.914 -6.686 -4.120 1.00 1.14 H new ATOM 0 HG2 LYS A 112 11.001 -7.533 -3.001 1.00 1.32 H new ATOM 0 HG3 LYS A 112 9.895 -6.924 -4.216 1.00 1.32 H new ATOM 0 HD2 LYS A 112 9.944 -9.291 -4.488 1.00 1.60 H new ATOM 0 HD3 LYS A 112 10.846 -8.626 -5.836 1.00 1.60 H new ATOM 0 HE2 LYS A 112 12.950 -9.284 -4.906 1.00 1.61 H new ATOM 0 HE3 LYS A 112 12.267 -9.539 -3.313 1.00 1.61 H new ATOM 0 HZ1 LYS A 112 12.341 -11.666 -4.094 1.00 2.19 H new ATOM 0 HZ2 LYS A 112 10.776 -11.244 -4.600 1.00 2.19 H new ATOM 0 HZ3 LYS A 112 12.062 -11.222 -5.709 1.00 2.19 H new ATOM 1771 N VAL A 113 11.246 -4.800 -1.874 1.00 1.05 N ATOM 1772 CA VAL A 113 11.503 -4.478 -0.454 1.00 1.19 C ATOM 1773 C VAL A 113 10.772 -5.476 0.460 1.00 0.98 C ATOM 1774 O VAL A 113 9.934 -6.234 -0.020 1.00 0.90 O ATOM 1775 CB VAL A 113 11.124 -3.019 -0.065 1.00 1.49 C ATOM 1776 CG1 VAL A 113 12.319 -2.369 0.657 1.00 2.40 C ATOM 1777 CG2 VAL A 113 10.678 -2.115 -1.226 1.00 1.90 C ATOM 0 H VAL A 113 10.363 -5.294 -2.004 1.00 1.05 H new ATOM 0 HA VAL A 113 12.581 -4.563 -0.314 1.00 1.19 H new ATOM 0 HB VAL A 113 10.249 -3.106 0.579 1.00 1.49 H new ATOM 0 HG11 VAL A 113 12.064 -1.346 0.934 1.00 2.40 H new ATOM 0 HG12 VAL A 113 12.556 -2.940 1.555 1.00 2.40 H new ATOM 0 HG13 VAL A 113 13.184 -2.360 -0.006 1.00 2.40 H new ATOM 0 HG21 VAL A 113 10.438 -1.123 -0.843 1.00 1.90 H new ATOM 0 HG22 VAL A 113 11.483 -2.037 -1.957 1.00 1.90 H new ATOM 0 HG23 VAL A 113 9.796 -2.543 -1.702 1.00 1.90 H new ATOM 1787 N VAL A 114 11.094 -5.493 1.761 1.00 1.00 N ATOM 1788 CA VAL A 114 10.519 -6.429 2.749 1.00 0.87 C ATOM 1789 C VAL A 114 9.682 -5.653 3.771 1.00 0.81 C ATOM 1790 O VAL A 114 10.074 -4.565 4.197 1.00 0.91 O ATOM 1791 CB VAL A 114 11.615 -7.266 3.459 1.00 0.99 C ATOM 1792 CG1 VAL A 114 11.006 -8.269 4.456 1.00 1.46 C ATOM 1793 CG2 VAL A 114 12.455 -8.047 2.431 1.00 1.93 C ATOM 0 H VAL A 114 11.772 -4.848 2.167 1.00 1.00 H new ATOM 0 HA VAL A 114 9.877 -7.130 2.216 1.00 0.87 H new ATOM 0 HB VAL A 114 12.247 -6.563 4.002 1.00 0.99 H new ATOM 0 HG11 VAL A 114 11.804 -8.837 4.934 1.00 1.46 H new ATOM 0 HG12 VAL A 114 10.440 -7.729 5.215 1.00 1.46 H new ATOM 0 HG13 VAL A 114 10.342 -8.952 3.926 1.00 1.46 H new ATOM 0 HG21 VAL A 114 13.218 -8.627 2.950 1.00 1.93 H new ATOM 0 HG22 VAL A 114 11.808 -8.720 1.868 1.00 1.93 H new ATOM 0 HG23 VAL A 114 12.935 -7.348 1.746 1.00 1.93 H new ATOM 1803 N LEU A 115 8.520 -6.210 4.133 1.00 0.80 N ATOM 1804 CA LEU A 115 7.540 -5.635 5.055 1.00 0.86 C ATOM 1805 C LEU A 115 7.130 -6.666 6.131 1.00 0.80 C ATOM 1806 O LEU A 115 6.803 -7.802 5.769 1.00 0.81 O ATOM 1807 CB LEU A 115 6.293 -5.193 4.276 1.00 1.08 C ATOM 1808 CG LEU A 115 6.446 -3.842 3.552 1.00 1.28 C ATOM 1809 CD1 LEU A 115 7.194 -3.919 2.210 1.00 2.70 C ATOM 1810 CD2 LEU A 115 5.046 -3.289 3.304 1.00 2.15 C ATOM 0 H LEU A 115 8.226 -7.118 3.772 1.00 0.80 H new ATOM 0 HA LEU A 115 7.994 -4.775 5.547 1.00 0.86 H new ATOM 0 HB2 LEU A 115 6.046 -5.960 3.542 1.00 1.08 H new ATOM 0 HB3 LEU A 115 5.451 -5.130 4.966 1.00 1.08 H new ATOM 0 HG LEU A 115 7.049 -3.200 4.194 1.00 1.28 H new ATOM 0 HD11 LEU A 115 7.256 -2.924 1.770 1.00 2.70 H new ATOM 0 HD12 LEU A 115 8.200 -4.305 2.376 1.00 2.70 H new ATOM 0 HD13 LEU A 115 6.657 -4.583 1.532 1.00 2.70 H new ATOM 0 HD21 LEU A 115 5.119 -2.330 2.791 1.00 2.15 H new ATOM 0 HD22 LEU A 115 4.483 -3.989 2.687 1.00 2.15 H new ATOM 0 HD23 LEU A 115 4.535 -3.153 4.257 1.00 2.15 H new ATOM 1822 N PRO A 116 7.076 -6.288 7.422 1.00 0.83 N ATOM 1823 CA PRO A 116 6.508 -7.121 8.478 1.00 0.85 C ATOM 1824 C PRO A 116 4.974 -7.165 8.399 1.00 0.77 C ATOM 1825 O PRO A 116 4.338 -6.497 7.581 1.00 0.93 O ATOM 1826 CB PRO A 116 7.006 -6.483 9.781 1.00 1.00 C ATOM 1827 CG PRO A 116 7.067 -4.998 9.428 1.00 0.95 C ATOM 1828 CD PRO A 116 7.551 -5.028 7.981 1.00 0.92 C ATOM 0 HA PRO A 116 6.818 -8.163 8.397 1.00 0.85 H new ATOM 0 HB2 PRO A 116 6.326 -6.674 10.611 1.00 1.00 H new ATOM 0 HB3 PRO A 116 7.982 -6.870 10.074 1.00 1.00 H new ATOM 0 HG2 PRO A 116 6.093 -4.517 9.521 1.00 0.95 H new ATOM 0 HG3 PRO A 116 7.754 -4.454 10.076 1.00 0.95 H new ATOM 0 HD2 PRO A 116 7.157 -4.180 7.421 1.00 0.92 H new ATOM 0 HD3 PRO A 116 8.638 -4.965 7.932 1.00 0.92 H new ATOM 1836 N VAL A 117 4.362 -7.939 9.293 1.00 0.83 N ATOM 1837 CA VAL A 117 2.923 -7.865 9.600 1.00 0.95 C ATOM 1838 C VAL A 117 2.755 -7.481 11.079 1.00 1.16 C ATOM 1839 O VAL A 117 2.847 -8.351 11.948 1.00 0.87 O ATOM 1840 CB VAL A 117 2.229 -9.212 9.292 1.00 0.97 C ATOM 1841 CG1 VAL A 117 0.705 -9.080 9.442 1.00 1.17 C ATOM 1842 CG2 VAL A 117 2.511 -9.687 7.853 1.00 0.89 C ATOM 0 H VAL A 117 4.854 -8.648 9.836 1.00 0.83 H new ATOM 0 HA VAL A 117 2.451 -7.107 8.974 1.00 0.95 H new ATOM 0 HB VAL A 117 2.630 -9.935 10.002 1.00 0.97 H new ATOM 0 HG11 VAL A 117 0.233 -10.038 9.221 1.00 1.17 H new ATOM 0 HG12 VAL A 117 0.464 -8.784 10.463 1.00 1.17 H new ATOM 0 HG13 VAL A 117 0.335 -8.325 8.748 1.00 1.17 H new ATOM 0 HG21 VAL A 117 2.005 -10.637 7.678 1.00 0.89 H new ATOM 0 HG22 VAL A 117 2.143 -8.944 7.146 1.00 0.89 H new ATOM 0 HG23 VAL A 117 3.585 -9.817 7.717 1.00 0.89 H new ATOM 1852 N GLU A 118 2.560 -6.190 11.403 1.00 1.89 N ATOM 1853 CA GLU A 118 2.629 -5.742 12.813 1.00 2.38 C ATOM 1854 C GLU A 118 1.254 -5.677 13.498 1.00 2.70 C ATOM 1855 O GLU A 118 0.803 -4.626 13.946 1.00 3.98 O ATOM 1856 CB GLU A 118 3.445 -4.445 12.921 1.00 2.61 C ATOM 1857 CG GLU A 118 4.887 -4.730 12.484 1.00 3.17 C ATOM 1858 CD GLU A 118 5.783 -3.522 12.698 1.00 4.42 C ATOM 1859 OE1 GLU A 118 6.228 -3.350 13.856 1.00 4.81 O ATOM 1860 OE2 GLU A 118 5.988 -2.794 11.700 1.00 5.60 O ATOM 0 H GLU A 118 2.358 -5.452 10.729 1.00 1.89 H new ATOM 0 HA GLU A 118 3.163 -6.503 13.382 1.00 2.38 H new ATOM 0 HB2 GLU A 118 3.006 -3.670 12.292 1.00 2.61 H new ATOM 0 HB3 GLU A 118 3.428 -4.073 13.945 1.00 2.61 H new ATOM 0 HG2 GLU A 118 5.278 -5.578 13.046 1.00 3.17 H new ATOM 0 HG3 GLU A 118 4.900 -5.012 11.431 1.00 3.17 H new ATOM 1867 N ALA A 119 0.568 -6.822 13.570 1.00 2.24 N ATOM 1868 CA ALA A 119 -0.751 -6.929 14.194 1.00 2.51 C ATOM 1869 C ALA A 119 -0.668 -6.977 15.734 1.00 3.80 C ATOM 1870 O ALA A 119 -0.106 -7.916 16.301 1.00 4.92 O ATOM 1871 CB ALA A 119 -1.467 -8.146 13.593 1.00 2.47 C ATOM 0 H ALA A 119 0.916 -7.704 13.194 1.00 2.24 H new ATOM 0 HA ALA A 119 -1.334 -6.033 13.979 1.00 2.51 H new ATOM 0 HB1 ALA A 119 -2.454 -8.246 14.044 1.00 2.47 H new ATOM 0 HB2 ALA A 119 -1.571 -8.012 12.516 1.00 2.47 H new ATOM 0 HB3 ALA A 119 -0.884 -9.046 13.792 1.00 2.47 H new ATOM 1877 N ARG A 120 -1.252 -5.971 16.402 1.00 4.36 N ATOM 1878 CA ARG A 120 -1.183 -5.723 17.854 1.00 5.91 C ATOM 1879 C ARG A 120 -2.170 -4.631 18.272 1.00 6.82 C ATOM 1880 O ARG A 120 -2.509 -4.565 19.466 1.00 8.33 O ATOM 1881 CB ARG A 120 0.294 -5.459 18.267 1.00 6.42 C ATOM 1882 CG ARG A 120 0.591 -4.214 19.122 1.00 6.48 C ATOM 1883 CD ARG A 120 0.522 -2.898 18.327 1.00 5.42 C ATOM 1884 NE ARG A 120 0.321 -1.735 19.215 1.00 6.12 N ATOM 1885 CZ ARG A 120 -0.838 -1.262 19.645 1.00 6.60 C ATOM 1886 NH1 ARG A 120 -2.000 -1.703 19.272 1.00 6.56 N ATOM 1887 NH2 ARG A 120 -0.839 -0.279 20.498 1.00 7.84 N ATOM 1888 OXT ARG A 120 -2.459 -3.746 17.439 1.00 6.40 O ATOM 0 H ARG A 120 -1.815 -5.270 15.920 1.00 4.36 H new ATOM 0 HA ARG A 120 -1.501 -6.608 18.406 1.00 5.91 H new ATOM 0 HB2 ARG A 120 0.650 -6.333 18.813 1.00 6.42 H new ATOM 0 HB3 ARG A 120 0.889 -5.389 17.356 1.00 6.42 H new ATOM 0 HG2 ARG A 120 -0.121 -4.170 19.946 1.00 6.48 H new ATOM 0 HG3 ARG A 120 1.583 -4.313 19.562 1.00 6.48 H new ATOM 0 HD2 ARG A 120 1.443 -2.767 17.758 1.00 5.42 H new ATOM 0 HD3 ARG A 120 -0.293 -2.951 17.606 1.00 5.42 H new ATOM 0 HE ARG A 120 1.160 -1.247 19.529 1.00 6.12 H new ATOM 0 HH11 ARG A 120 -2.064 -2.468 18.601 1.00 6.56 H new ATOM 0 HH12 ARG A 120 -2.850 -1.284 19.650 1.00 6.56 H new ATOM 0 HH21 ARG A 120 0.044 0.114 20.824 1.00 7.84 H new ATOM 0 HH22 ARG A 120 -1.723 0.098 20.840 1.00 7.84 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -9.299 -0.871 -0.288 1.00 0.72 CU