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+ -132:sc= 2.51 (180deg=-0.339) USER MOD Single : A 2 SER OG : rot -56:sc= 1.44 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 173:sc= 1.28 USER MOD Single : A 15 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 120:sc= -0.341 USER MOD Single : A 24 ASN : amide:sc= 0.163 K(o=0.16,f=-4.4!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.655 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 0.86! (180deg=-1.83!) USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00715) USER MOD Single : A 59 MET CE :methyl 177:sc= -0.0708 (180deg=-0.0843) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.0183 (180deg=-0.165) USER MOD Single : A 72 LYS NZ :NH3+ 138:sc= 0.68 (180deg=0.13!) USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.37 (180deg=1.29) USER MOD Single : A 82 TYR OH : rot 30:sc= 1.22 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 1.96 (180deg=1.75) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= -0.272 (180deg=-0.561!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -176:sc= -0.625! (180deg=-0.842!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.980 6.719 3.291 1.00 10.06 N ATOM 2 CA GLY A 1 18.019 7.985 4.040 1.00 9.91 C ATOM 3 C GLY A 1 17.259 7.769 5.321 1.00 8.58 C ATOM 4 O GLY A 1 17.866 7.530 6.353 1.00 8.67 O ATOM 0 H1 GLY A 1 18.937 6.481 2.962 1.00 10.06 H new ATOM 0 H2 GLY A 1 17.628 5.961 3.909 1.00 10.06 H new ATOM 0 H3 GLY A 1 17.347 6.820 2.472 1.00 10.06 H new ATOM 0 HA2 GLY A 1 19.048 8.277 4.248 1.00 9.91 H new ATOM 0 HA3 GLY A 1 17.571 8.790 3.458 1.00 9.91 H new ATOM 10 N SER A 2 15.941 7.680 5.225 1.00 7.67 N ATOM 11 CA SER A 2 15.205 6.669 5.991 1.00 6.42 C ATOM 12 C SER A 2 15.464 5.255 5.412 1.00 5.52 C ATOM 13 O SER A 2 16.576 4.964 4.948 1.00 6.17 O ATOM 14 CB SER A 2 13.721 7.077 6.055 1.00 6.65 C ATOM 15 OG SER A 2 13.045 7.020 4.803 1.00 7.48 O ATOM 0 H SER A 2 15.362 8.280 4.638 1.00 7.67 H new ATOM 0 HA SER A 2 15.560 6.619 7.020 1.00 6.42 H new ATOM 0 HB2 SER A 2 13.207 6.426 6.762 1.00 6.65 H new ATOM 0 HB3 SER A 2 13.651 8.092 6.447 1.00 6.65 H new ATOM 0 HG SER A 2 13.516 7.580 4.151 1.00 7.48 H new ATOM 21 N PHE A 3 14.468 4.368 5.427 1.00 4.67 N ATOM 22 CA PHE A 3 14.618 2.930 5.194 1.00 4.40 C ATOM 23 C PHE A 3 13.266 2.285 4.847 1.00 3.63 C ATOM 24 O PHE A 3 12.223 2.943 4.906 1.00 3.56 O ATOM 25 CB PHE A 3 15.294 2.295 6.433 1.00 5.20 C ATOM 26 CG PHE A 3 14.894 2.899 7.774 1.00 5.52 C ATOM 27 CD1 PHE A 3 13.572 2.776 8.243 1.00 5.76 C ATOM 28 CD2 PHE A 3 15.830 3.642 8.521 1.00 6.35 C ATOM 29 CE1 PHE A 3 13.190 3.395 9.446 1.00 6.83 C ATOM 30 CE2 PHE A 3 15.448 4.254 9.729 1.00 7.22 C ATOM 31 CZ PHE A 3 14.127 4.131 10.190 1.00 7.46 C ATOM 0 H PHE A 3 13.502 4.640 5.608 1.00 4.67 H new ATOM 0 HA PHE A 3 15.259 2.751 4.331 1.00 4.40 H new ATOM 0 HB2 PHE A 3 15.060 1.230 6.448 1.00 5.20 H new ATOM 0 HB3 PHE A 3 16.375 2.382 6.322 1.00 5.20 H new ATOM 0 HD1 PHE A 3 12.850 2.205 7.678 1.00 5.76 H new ATOM 0 HD2 PHE A 3 16.845 3.742 8.165 1.00 6.35 H new ATOM 0 HE1 PHE A 3 12.173 3.304 9.799 1.00 6.83 H new ATOM 0 HE2 PHE A 3 16.170 4.818 10.301 1.00 7.22 H new ATOM 0 HZ PHE A 3 13.832 4.602 11.116 1.00 7.46 H new ATOM 41 N THR A 4 13.288 0.993 4.488 1.00 3.72 N ATOM 42 CA THR A 4 12.080 0.170 4.325 1.00 3.43 C ATOM 43 C THR A 4 11.394 0.037 5.676 1.00 2.45 C ATOM 44 O THR A 4 12.033 -0.315 6.660 1.00 3.05 O ATOM 45 CB THR A 4 12.419 -1.209 3.756 1.00 4.51 C ATOM 46 OG1 THR A 4 13.018 -1.026 2.497 1.00 5.23 O ATOM 47 CG2 THR A 4 11.173 -2.066 3.551 1.00 5.56 C ATOM 0 H THR A 4 14.153 0.485 4.301 1.00 3.72 H new ATOM 0 HA THR A 4 11.410 0.656 3.615 1.00 3.43 H new ATOM 0 HB THR A 4 13.077 -1.714 4.463 1.00 4.51 H new ATOM 0 HG1 THR A 4 13.246 -1.898 2.113 1.00 5.23 H new ATOM 0 HG21 THR A 4 11.461 -3.036 3.146 1.00 5.56 H new ATOM 0 HG22 THR A 4 10.668 -2.208 4.506 1.00 5.56 H new ATOM 0 HG23 THR A 4 10.499 -1.567 2.854 1.00 5.56 H new ATOM 55 N GLU A 5 10.101 0.343 5.702 1.00 1.96 N ATOM 56 CA GLU A 5 9.299 0.505 6.911 1.00 1.36 C ATOM 57 C GLU A 5 7.827 0.319 6.507 1.00 1.34 C ATOM 58 O GLU A 5 7.269 1.106 5.740 1.00 2.07 O ATOM 59 CB GLU A 5 9.691 1.861 7.543 1.00 1.91 C ATOM 60 CG GLU A 5 8.640 2.646 8.339 1.00 2.99 C ATOM 61 CD GLU A 5 9.170 4.011 8.792 1.00 3.83 C ATOM 62 OE1 GLU A 5 10.247 4.454 8.330 1.00 4.22 O ATOM 63 OE2 GLU A 5 8.456 4.726 9.524 1.00 4.88 O ATOM 0 H GLU A 5 9.562 0.491 4.849 1.00 1.96 H new ATOM 0 HA GLU A 5 9.476 -0.234 7.693 1.00 1.36 H new ATOM 0 HB2 GLU A 5 10.538 1.682 8.205 1.00 1.91 H new ATOM 0 HB3 GLU A 5 10.045 2.507 6.740 1.00 1.91 H new ATOM 0 HG2 GLU A 5 7.750 2.787 7.725 1.00 2.99 H new ATOM 0 HG3 GLU A 5 8.337 2.066 9.211 1.00 2.99 H new ATOM 70 N GLY A 6 7.222 -0.797 6.917 1.00 1.28 N ATOM 71 CA GLY A 6 5.838 -1.143 6.588 1.00 1.24 C ATOM 72 C GLY A 6 5.254 -2.187 7.525 1.00 1.08 C ATOM 73 O GLY A 6 5.981 -2.784 8.318 1.00 1.40 O ATOM 0 H GLY A 6 7.687 -1.497 7.496 1.00 1.28 H new ATOM 0 HA2 GLY A 6 5.224 -0.243 6.626 1.00 1.24 H new ATOM 0 HA3 GLY A 6 5.795 -1.515 5.564 1.00 1.24 H new ATOM 77 N TRP A 7 3.951 -2.429 7.389 1.00 0.94 N ATOM 78 CA TRP A 7 3.228 -3.546 7.979 1.00 0.90 C ATOM 79 C TRP A 7 1.928 -3.829 7.208 1.00 0.85 C ATOM 80 O TRP A 7 1.308 -2.933 6.628 1.00 0.92 O ATOM 81 CB TRP A 7 2.955 -3.270 9.460 1.00 0.96 C ATOM 82 CG TRP A 7 2.056 -2.105 9.751 1.00 0.91 C ATOM 83 CD1 TRP A 7 0.747 -2.203 10.074 1.00 1.08 C ATOM 84 CD2 TRP A 7 2.361 -0.672 9.735 1.00 1.23 C ATOM 85 NE1 TRP A 7 0.219 -0.939 10.248 1.00 1.31 N ATOM 86 CE2 TRP A 7 1.164 0.044 10.037 1.00 1.46 C ATOM 87 CE3 TRP A 7 3.526 0.101 9.509 1.00 1.66 C ATOM 88 CZ2 TRP A 7 1.121 1.448 10.089 1.00 1.99 C ATOM 89 CZ3 TRP A 7 3.492 1.507 9.548 1.00 2.21 C ATOM 90 CH2 TRP A 7 2.293 2.183 9.837 1.00 2.35 C ATOM 0 H TRP A 7 3.346 -1.821 6.838 1.00 0.94 H new ATOM 0 HA TRP A 7 3.846 -4.441 7.908 1.00 0.90 H new ATOM 0 HB2 TRP A 7 2.515 -4.164 9.902 1.00 0.96 H new ATOM 0 HB3 TRP A 7 3.909 -3.103 9.961 1.00 0.96 H new ATOM 0 HD1 TRP A 7 0.199 -3.127 10.180 1.00 1.08 H new ATOM 0 HE1 TRP A 7 -0.752 -0.754 10.502 1.00 1.31 H new ATOM 0 HE3 TRP A 7 4.460 -0.399 9.302 1.00 1.66 H new ATOM 0 HZ2 TRP A 7 0.197 1.957 10.320 1.00 1.99 H new ATOM 0 HZ3 TRP A 7 4.393 2.071 9.355 1.00 2.21 H new ATOM 0 HH2 TRP A 7 2.273 3.262 9.865 1.00 2.35 H new ATOM 101 N VAL A 8 1.490 -5.085 7.227 1.00 0.92 N ATOM 102 CA VAL A 8 0.113 -5.474 6.879 1.00 1.13 C ATOM 103 C VAL A 8 -0.645 -5.662 8.197 1.00 1.24 C ATOM 104 O VAL A 8 -0.027 -6.080 9.171 1.00 1.36 O ATOM 105 CB VAL A 8 0.082 -6.772 6.034 1.00 1.29 C ATOM 106 CG1 VAL A 8 -1.261 -6.880 5.302 1.00 1.55 C ATOM 107 CG2 VAL A 8 1.220 -6.859 4.996 1.00 1.28 C ATOM 0 H VAL A 8 2.082 -5.874 7.486 1.00 0.92 H new ATOM 0 HA VAL A 8 -0.353 -4.701 6.268 1.00 1.13 H new ATOM 0 HB VAL A 8 0.219 -7.596 6.735 1.00 1.29 H new ATOM 0 HG11 VAL A 8 -1.279 -7.794 4.709 1.00 1.55 H new ATOM 0 HG12 VAL A 8 -2.072 -6.904 6.030 1.00 1.55 H new ATOM 0 HG13 VAL A 8 -1.388 -6.019 4.646 1.00 1.55 H new ATOM 0 HG21 VAL A 8 1.136 -7.793 4.441 1.00 1.28 H new ATOM 0 HG22 VAL A 8 1.147 -6.019 4.305 1.00 1.28 H new ATOM 0 HG23 VAL A 8 2.182 -6.826 5.507 1.00 1.28 H new ATOM 117 N ARG A 9 -1.947 -5.348 8.274 1.00 1.49 N ATOM 118 CA ARG A 9 -2.700 -5.552 9.527 1.00 1.74 C ATOM 119 C ARG A 9 -3.131 -7.019 9.702 1.00 1.51 C ATOM 120 O ARG A 9 -2.411 -7.818 10.297 1.00 2.37 O ATOM 121 CB ARG A 9 -3.826 -4.511 9.699 1.00 2.43 C ATOM 122 CG ARG A 9 -4.494 -4.652 11.078 1.00 3.39 C ATOM 123 CD ARG A 9 -5.373 -3.452 11.439 1.00 3.60 C ATOM 124 NE ARG A 9 -6.015 -3.668 12.741 1.00 4.37 N ATOM 125 CZ ARG A 9 -7.231 -4.132 12.997 1.00 4.87 C ATOM 126 NH1 ARG A 9 -8.083 -4.434 12.035 1.00 4.88 N ATOM 127 NH2 ARG A 9 -7.606 -4.302 14.243 1.00 5.91 N ATOM 0 H ARG A 9 -2.493 -4.960 7.504 1.00 1.49 H new ATOM 0 HA ARG A 9 -2.029 -5.363 10.365 1.00 1.74 H new ATOM 0 HB2 ARG A 9 -3.418 -3.506 9.588 1.00 2.43 H new ATOM 0 HB3 ARG A 9 -4.571 -4.641 8.914 1.00 2.43 H new ATOM 0 HG2 ARG A 9 -5.101 -5.558 11.091 1.00 3.39 H new ATOM 0 HG3 ARG A 9 -3.723 -4.773 11.839 1.00 3.39 H new ATOM 0 HD2 ARG A 9 -4.769 -2.545 11.469 1.00 3.60 H new ATOM 0 HD3 ARG A 9 -6.132 -3.304 10.671 1.00 3.60 H new ATOM 0 HE ARG A 9 -5.451 -3.430 13.557 1.00 4.37 H new ATOM 0 HH11 ARG A 9 -7.814 -4.313 11.059 1.00 4.88 H new ATOM 0 HH12 ARG A 9 -9.011 -4.789 12.268 1.00 4.88 H new ATOM 0 HH21 ARG A 9 -6.965 -4.078 15.004 1.00 5.91 H new ATOM 0 HH22 ARG A 9 -8.539 -4.658 14.451 1.00 5.91 H new ATOM 141 N PHE A 10 -4.310 -7.389 9.183 1.00 1.28 N ATOM 142 CA PHE A 10 -4.901 -8.717 9.371 1.00 1.24 C ATOM 143 C PHE A 10 -6.029 -8.993 8.372 1.00 1.04 C ATOM 144 O PHE A 10 -6.856 -8.117 8.127 1.00 1.11 O ATOM 145 CB PHE A 10 -5.438 -8.851 10.808 1.00 1.63 C ATOM 146 CG PHE A 10 -6.177 -10.149 11.080 1.00 1.77 C ATOM 147 CD1 PHE A 10 -5.455 -11.325 11.357 1.00 1.80 C ATOM 148 CD2 PHE A 10 -7.584 -10.198 11.014 1.00 2.89 C ATOM 149 CE1 PHE A 10 -6.130 -12.542 11.560 1.00 1.90 C ATOM 150 CE2 PHE A 10 -8.260 -11.414 11.218 1.00 3.11 C ATOM 151 CZ PHE A 10 -7.532 -12.587 11.490 1.00 2.19 C ATOM 0 H PHE A 10 -4.885 -6.766 8.615 1.00 1.28 H new ATOM 0 HA PHE A 10 -4.116 -9.453 9.195 1.00 1.24 H new ATOM 0 HB2 PHE A 10 -4.604 -8.769 11.504 1.00 1.63 H new ATOM 0 HB3 PHE A 10 -6.107 -8.016 11.013 1.00 1.63 H new ATOM 0 HD1 PHE A 10 -4.377 -11.293 11.414 1.00 1.80 H new ATOM 0 HD2 PHE A 10 -8.145 -9.299 10.806 1.00 2.89 H new ATOM 0 HE1 PHE A 10 -5.570 -13.442 11.770 1.00 1.90 H new ATOM 0 HE2 PHE A 10 -9.338 -11.448 11.166 1.00 3.11 H new ATOM 0 HZ PHE A 10 -8.051 -13.521 11.645 1.00 2.19 H new ATOM 161 N SER A 11 -6.104 -10.234 7.883 1.00 0.99 N ATOM 162 CA SER A 11 -7.249 -10.805 7.157 1.00 1.02 C ATOM 163 C SER A 11 -7.019 -12.291 6.819 1.00 1.02 C ATOM 164 O SER A 11 -5.910 -12.641 6.413 1.00 1.08 O ATOM 165 CB SER A 11 -7.521 -10.052 5.852 1.00 1.21 C ATOM 166 OG SER A 11 -8.657 -10.592 5.215 1.00 2.25 O ATOM 0 H SER A 11 -5.337 -10.899 7.985 1.00 0.99 H new ATOM 0 HA SER A 11 -8.109 -10.708 7.820 1.00 1.02 H new ATOM 0 HB2 SER A 11 -7.678 -8.993 6.059 1.00 1.21 H new ATOM 0 HB3 SER A 11 -6.655 -10.123 5.193 1.00 1.21 H new ATOM 0 HG SER A 11 -8.893 -10.038 4.442 1.00 2.25 H new ATOM 172 N PRO A 12 -8.038 -13.170 6.923 1.00 1.12 N ATOM 173 CA PRO A 12 -7.947 -14.542 6.423 1.00 1.22 C ATOM 174 C PRO A 12 -8.054 -14.619 4.893 1.00 1.09 C ATOM 175 O PRO A 12 -7.491 -15.523 4.278 1.00 1.18 O ATOM 176 CB PRO A 12 -9.119 -15.267 7.087 1.00 1.46 C ATOM 177 CG PRO A 12 -10.179 -14.179 7.248 1.00 1.46 C ATOM 178 CD PRO A 12 -9.346 -12.928 7.523 1.00 1.30 C ATOM 0 HA PRO A 12 -6.981 -14.987 6.660 1.00 1.22 H new ATOM 0 HB2 PRO A 12 -9.481 -16.090 6.470 1.00 1.46 H new ATOM 0 HB3 PRO A 12 -8.833 -15.692 8.049 1.00 1.46 H new ATOM 0 HG2 PRO A 12 -10.786 -14.070 6.349 1.00 1.46 H new ATOM 0 HG3 PRO A 12 -10.861 -14.398 8.069 1.00 1.46 H new ATOM 0 HD2 PRO A 12 -9.816 -12.045 7.090 1.00 1.30 H new ATOM 0 HD3 PRO A 12 -9.256 -12.748 8.594 1.00 1.30 H new ATOM 186 N GLY A 13 -8.779 -13.675 4.290 1.00 1.01 N ATOM 187 CA GLY A 13 -9.177 -13.655 2.880 1.00 1.02 C ATOM 188 C GLY A 13 -10.638 -13.209 2.710 1.00 1.06 C ATOM 189 O GLY A 13 -11.339 -13.050 3.708 1.00 1.11 O ATOM 0 H GLY A 13 -9.123 -12.860 4.799 1.00 1.01 H new ATOM 0 HA2 GLY A 13 -8.524 -12.981 2.327 1.00 1.02 H new ATOM 0 HA3 GLY A 13 -9.047 -14.648 2.451 1.00 1.02 H new ATOM 193 N PRO A 14 -11.117 -12.977 1.472 1.00 1.11 N ATOM 194 CA PRO A 14 -10.396 -13.115 0.206 1.00 1.12 C ATOM 195 C PRO A 14 -9.439 -11.949 -0.085 1.00 1.00 C ATOM 196 O PRO A 14 -8.687 -12.018 -1.056 1.00 0.99 O ATOM 197 CB PRO A 14 -11.499 -13.190 -0.857 1.00 1.27 C ATOM 198 CG PRO A 14 -12.594 -12.296 -0.279 1.00 1.28 C ATOM 199 CD PRO A 14 -12.499 -12.582 1.219 1.00 1.20 C ATOM 0 HA PRO A 14 -9.752 -13.994 0.225 1.00 1.12 H new ATOM 0 HB2 PRO A 14 -11.152 -12.829 -1.825 1.00 1.27 H new ATOM 0 HB3 PRO A 14 -11.848 -14.212 -1.005 1.00 1.27 H new ATOM 0 HG2 PRO A 14 -12.419 -11.244 -0.503 1.00 1.28 H new ATOM 0 HG3 PRO A 14 -13.576 -12.548 -0.679 1.00 1.28 H new ATOM 0 HD2 PRO A 14 -12.764 -11.700 1.801 1.00 1.20 H new ATOM 0 HD3 PRO A 14 -13.189 -13.374 1.508 1.00 1.20 H new ATOM 207 N ASN A 15 -9.431 -10.887 0.736 1.00 0.93 N ATOM 208 CA ASN A 15 -8.508 -9.764 0.595 1.00 0.75 C ATOM 209 C ASN A 15 -8.121 -9.089 1.919 1.00 0.78 C ATOM 210 O ASN A 15 -8.739 -9.287 2.965 1.00 1.02 O ATOM 211 CB ASN A 15 -9.050 -8.761 -0.430 1.00 0.94 C ATOM 212 CG ASN A 15 -10.308 -8.009 -0.029 1.00 1.39 C ATOM 213 OD1 ASN A 15 -10.557 -7.687 1.120 1.00 1.96 O ATOM 214 ND2 ASN A 15 -11.133 -7.691 -1.001 1.00 2.01 N ATOM 0 H ASN A 15 -10.074 -10.789 1.522 1.00 0.93 H new ATOM 0 HA ASN A 15 -7.571 -10.179 0.224 1.00 0.75 H new ATOM 0 HB2 ASN A 15 -8.268 -8.032 -0.643 1.00 0.94 H new ATOM 0 HB3 ASN A 15 -9.251 -9.295 -1.359 1.00 0.94 H new ATOM 0 HD21 ASN A 15 -11.987 -7.172 -0.796 1.00 2.01 H new ATOM 0 HD22 ASN A 15 -10.920 -7.963 -1.961 1.00 2.01 H new ATOM 221 N ALA A 16 -7.061 -8.296 1.837 1.00 0.64 N ATOM 222 CA ALA A 16 -6.388 -7.579 2.919 1.00 0.64 C ATOM 223 C ALA A 16 -5.987 -6.163 2.459 1.00 0.57 C ATOM 224 O ALA A 16 -6.235 -5.778 1.316 1.00 0.52 O ATOM 225 CB ALA A 16 -5.175 -8.415 3.361 1.00 0.69 C ATOM 0 H ALA A 16 -6.610 -8.121 0.939 1.00 0.64 H new ATOM 0 HA ALA A 16 -7.055 -7.448 3.771 1.00 0.64 H new ATOM 0 HB1 ALA A 16 -4.654 -7.901 4.169 1.00 0.69 H new ATOM 0 HB2 ALA A 16 -5.513 -9.391 3.710 1.00 0.69 H new ATOM 0 HB3 ALA A 16 -4.497 -8.546 2.518 1.00 0.69 H new ATOM 231 N ALA A 17 -5.342 -5.392 3.338 1.00 0.67 N ATOM 232 CA ALA A 17 -4.830 -4.050 3.064 1.00 0.72 C ATOM 233 C ALA A 17 -3.473 -3.871 3.764 1.00 0.90 C ATOM 234 O ALA A 17 -3.326 -4.308 4.909 1.00 1.26 O ATOM 235 CB ALA A 17 -5.856 -3.033 3.578 1.00 0.76 C ATOM 0 H ALA A 17 -5.156 -5.697 4.293 1.00 0.67 H new ATOM 0 HA ALA A 17 -4.681 -3.899 1.995 1.00 0.72 H new ATOM 0 HB1 ALA A 17 -5.495 -2.023 3.384 1.00 0.76 H new ATOM 0 HB2 ALA A 17 -6.806 -3.184 3.065 1.00 0.76 H new ATOM 0 HB3 ALA A 17 -5.997 -3.169 4.650 1.00 0.76 H new ATOM 241 N ALA A 18 -2.507 -3.235 3.096 1.00 0.74 N ATOM 242 CA ALA A 18 -1.136 -3.032 3.554 1.00 0.78 C ATOM 243 C ALA A 18 -0.682 -1.570 3.428 1.00 0.66 C ATOM 244 O ALA A 18 -1.171 -0.798 2.594 1.00 0.72 O ATOM 245 CB ALA A 18 -0.210 -3.953 2.745 1.00 0.88 C ATOM 0 H ALA A 18 -2.671 -2.828 2.175 1.00 0.74 H new ATOM 0 HA ALA A 18 -1.089 -3.277 4.615 1.00 0.78 H new ATOM 0 HB1 ALA A 18 0.820 -3.814 3.075 1.00 0.88 H new ATOM 0 HB2 ALA A 18 -0.504 -4.991 2.900 1.00 0.88 H new ATOM 0 HB3 ALA A 18 -0.288 -3.708 1.686 1.00 0.88 H new ATOM 251 N TYR A 19 0.287 -1.226 4.273 1.00 0.59 N ATOM 252 CA TYR A 19 0.756 0.125 4.590 1.00 0.65 C ATOM 253 C TYR A 19 2.294 0.155 4.641 1.00 0.76 C ATOM 254 O TYR A 19 2.909 -0.809 5.105 1.00 1.32 O ATOM 255 CB TYR A 19 0.178 0.518 5.964 1.00 0.71 C ATOM 256 CG TYR A 19 -1.256 0.070 6.180 1.00 0.83 C ATOM 257 CD1 TYR A 19 -2.300 0.681 5.464 1.00 1.51 C ATOM 258 CD2 TYR A 19 -1.530 -1.030 7.014 1.00 2.27 C ATOM 259 CE1 TYR A 19 -3.627 0.226 5.609 1.00 1.59 C ATOM 260 CE2 TYR A 19 -2.845 -1.514 7.136 1.00 2.51 C ATOM 261 CZ TYR A 19 -3.902 -0.878 6.449 1.00 1.43 C ATOM 262 OH TYR A 19 -5.175 -1.337 6.597 1.00 1.82 O ATOM 0 H TYR A 19 0.804 -1.935 4.793 1.00 0.59 H new ATOM 0 HA TYR A 19 0.427 0.826 3.823 1.00 0.65 H new ATOM 0 HB2 TYR A 19 0.804 0.089 6.746 1.00 0.71 H new ATOM 0 HB3 TYR A 19 0.230 1.601 6.072 1.00 0.71 H new ATOM 0 HD1 TYR A 19 -2.085 1.504 4.799 1.00 1.51 H new ATOM 0 HD2 TYR A 19 -0.729 -1.504 7.562 1.00 2.27 H new ATOM 0 HE1 TYR A 19 -4.430 0.719 5.081 1.00 1.59 H new ATOM 0 HE2 TYR A 19 -3.047 -2.374 7.757 1.00 2.51 H new ATOM 0 HH TYR A 19 -5.178 -2.102 7.210 1.00 1.82 H new ATOM 272 N LEU A 20 2.920 1.253 4.191 1.00 1.52 N ATOM 273 CA LEU A 20 4.385 1.396 4.104 1.00 1.63 C ATOM 274 C LEU A 20 4.858 2.816 3.756 1.00 1.46 C ATOM 275 O LEU A 20 4.164 3.583 3.089 1.00 1.19 O ATOM 276 CB LEU A 20 5.036 0.342 3.168 1.00 1.78 C ATOM 277 CG LEU A 20 4.689 0.404 1.663 1.00 1.54 C ATOM 278 CD1 LEU A 20 5.700 -0.447 0.885 1.00 1.95 C ATOM 279 CD2 LEU A 20 3.282 -0.120 1.324 1.00 2.20 C ATOM 0 H LEU A 20 2.416 2.081 3.872 1.00 1.52 H new ATOM 0 HA LEU A 20 4.736 1.201 5.117 1.00 1.63 H new ATOM 0 HB2 LEU A 20 6.118 0.429 3.266 1.00 1.78 H new ATOM 0 HB3 LEU A 20 4.761 -0.647 3.535 1.00 1.78 H new ATOM 0 HG LEU A 20 4.723 1.458 1.386 1.00 1.54 H new ATOM 0 HD11 LEU A 20 5.464 -0.410 -0.179 1.00 1.95 H new ATOM 0 HD12 LEU A 20 6.705 -0.057 1.048 1.00 1.95 H new ATOM 0 HD13 LEU A 20 5.650 -1.479 1.232 1.00 1.95 H new ATOM 0 HD21 LEU A 20 3.114 -0.043 0.250 1.00 2.20 H new ATOM 0 HD22 LEU A 20 3.198 -1.163 1.631 1.00 2.20 H new ATOM 0 HD23 LEU A 20 2.536 0.474 1.851 1.00 2.20 H new ATOM 291 N THR A 21 6.076 3.139 4.187 1.00 1.68 N ATOM 292 CA THR A 21 6.812 4.373 3.883 1.00 1.59 C ATOM 293 C THR A 21 7.657 4.193 2.634 1.00 1.58 C ATOM 294 O THR A 21 8.234 3.129 2.419 1.00 1.72 O ATOM 295 CB THR A 21 7.710 4.734 5.069 1.00 1.72 C ATOM 296 OG1 THR A 21 8.557 3.655 5.293 1.00 2.16 O ATOM 297 CG2 THR A 21 6.887 5.071 6.310 1.00 2.96 C ATOM 0 H THR A 21 6.609 2.514 4.792 1.00 1.68 H new ATOM 0 HA THR A 21 6.098 5.177 3.706 1.00 1.59 H new ATOM 0 HB THR A 21 8.293 5.627 4.844 1.00 1.72 H new ATOM 0 HG1 THR A 21 9.488 3.944 5.194 1.00 2.16 H new ATOM 0 HG21 THR A 21 7.556 5.323 7.133 1.00 2.96 H new ATOM 0 HG22 THR A 21 6.239 5.921 6.097 1.00 2.96 H new ATOM 0 HG23 THR A 21 6.278 4.211 6.587 1.00 2.96 H new ATOM 305 N LEU A 22 7.767 5.256 1.846 1.00 1.57 N ATOM 306 CA LEU A 22 8.572 5.337 0.632 1.00 1.66 C ATOM 307 C LEU A 22 9.474 6.573 0.745 1.00 1.50 C ATOM 308 O LEU A 22 9.032 7.618 1.236 1.00 1.50 O ATOM 309 CB LEU A 22 7.603 5.445 -0.572 1.00 1.97 C ATOM 310 CG LEU A 22 8.031 4.746 -1.876 1.00 2.37 C ATOM 311 CD1 LEU A 22 6.929 4.967 -2.922 1.00 3.38 C ATOM 312 CD2 LEU A 22 9.370 5.253 -2.424 1.00 3.89 C ATOM 0 H LEU A 22 7.274 6.126 2.045 1.00 1.57 H new ATOM 0 HA LEU A 22 9.203 4.459 0.494 1.00 1.66 H new ATOM 0 HB2 LEU A 22 6.639 5.037 -0.269 1.00 1.97 H new ATOM 0 HB3 LEU A 22 7.448 6.502 -0.789 1.00 1.97 H new ATOM 0 HG LEU A 22 8.170 3.687 -1.657 1.00 2.37 H new ATOM 0 HD11 LEU A 22 7.211 4.480 -3.856 1.00 3.38 H new ATOM 0 HD12 LEU A 22 5.993 4.543 -2.559 1.00 3.38 H new ATOM 0 HD13 LEU A 22 6.800 6.036 -3.095 1.00 3.38 H new ATOM 0 HD21 LEU A 22 9.612 4.719 -3.343 1.00 3.89 H new ATOM 0 HD22 LEU A 22 9.297 6.320 -2.633 1.00 3.89 H new ATOM 0 HD23 LEU A 22 10.154 5.080 -1.687 1.00 3.89 H new ATOM 324 N GLU A 23 10.710 6.488 0.255 1.00 1.49 N ATOM 325 CA GLU A 23 11.477 7.666 -0.144 1.00 1.36 C ATOM 326 C GLU A 23 11.991 7.464 -1.562 1.00 1.10 C ATOM 327 O GLU A 23 12.413 6.365 -1.917 1.00 1.42 O ATOM 328 CB GLU A 23 12.621 7.991 0.834 1.00 2.02 C ATOM 329 CG GLU A 23 13.833 7.041 0.761 1.00 2.50 C ATOM 330 CD GLU A 23 14.920 7.416 1.767 1.00 3.41 C ATOM 331 OE1 GLU A 23 14.583 7.819 2.902 1.00 3.87 O ATOM 332 OE2 GLU A 23 16.124 7.236 1.482 1.00 4.34 O ATOM 0 H GLU A 23 11.205 5.606 0.124 1.00 1.49 H new ATOM 0 HA GLU A 23 10.816 8.532 -0.116 1.00 1.36 H new ATOM 0 HB2 GLU A 23 12.964 9.008 0.643 1.00 2.02 H new ATOM 0 HB3 GLU A 23 12.226 7.974 1.850 1.00 2.02 H new ATOM 0 HG2 GLU A 23 13.504 6.019 0.948 1.00 2.50 H new ATOM 0 HG3 GLU A 23 14.249 7.062 -0.246 1.00 2.50 H new ATOM 339 N ASN A 24 11.965 8.528 -2.356 1.00 0.89 N ATOM 340 CA ASN A 24 12.589 8.587 -3.672 1.00 0.74 C ATOM 341 C ASN A 24 14.066 8.997 -3.508 1.00 0.76 C ATOM 342 O ASN A 24 14.329 10.130 -3.099 1.00 0.81 O ATOM 343 CB ASN A 24 11.815 9.613 -4.512 1.00 0.75 C ATOM 344 CG ASN A 24 12.291 9.685 -5.955 1.00 0.75 C ATOM 345 OD1 ASN A 24 13.259 9.049 -6.355 1.00 1.36 O ATOM 346 ND2 ASN A 24 11.612 10.452 -6.782 1.00 0.88 N ATOM 0 H ASN A 24 11.497 9.396 -2.095 1.00 0.89 H new ATOM 0 HA ASN A 24 12.561 7.619 -4.172 1.00 0.74 H new ATOM 0 HB2 ASN A 24 10.755 9.360 -4.498 1.00 0.75 H new ATOM 0 HB3 ASN A 24 11.914 10.597 -4.054 1.00 0.75 H new ATOM 0 HD21 ASN A 24 11.891 10.519 -7.761 1.00 0.88 H new ATOM 0 HD22 ASN A 24 10.807 10.979 -6.444 1.00 0.88 H new ATOM 353 N PRO A 25 15.037 8.116 -3.794 1.00 0.88 N ATOM 354 CA PRO A 25 16.457 8.451 -3.702 1.00 0.97 C ATOM 355 C PRO A 25 16.996 9.204 -4.926 1.00 0.98 C ATOM 356 O PRO A 25 18.107 9.737 -4.863 1.00 1.09 O ATOM 357 CB PRO A 25 17.151 7.094 -3.557 1.00 1.15 C ATOM 358 CG PRO A 25 16.249 6.172 -4.384 1.00 1.17 C ATOM 359 CD PRO A 25 14.860 6.697 -4.069 1.00 1.02 C ATOM 0 HA PRO A 25 16.638 9.131 -2.869 1.00 0.97 H new ATOM 0 HB2 PRO A 25 18.171 7.116 -3.942 1.00 1.15 H new ATOM 0 HB3 PRO A 25 17.210 6.777 -2.516 1.00 1.15 H new ATOM 0 HG2 PRO A 25 16.474 6.234 -5.449 1.00 1.17 H new ATOM 0 HG3 PRO A 25 16.363 5.127 -4.094 1.00 1.17 H new ATOM 0 HD2 PRO A 25 14.181 6.541 -4.908 1.00 1.02 H new ATOM 0 HD3 PRO A 25 14.430 6.181 -3.211 1.00 1.02 H new ATOM 367 N GLY A 26 16.243 9.250 -6.030 1.00 0.93 N ATOM 368 CA GLY A 26 16.657 9.854 -7.280 1.00 0.97 C ATOM 369 C GLY A 26 16.396 11.351 -7.316 1.00 0.89 C ATOM 370 O GLY A 26 15.773 11.942 -6.438 1.00 1.22 O ATOM 0 H GLY A 26 15.304 8.854 -6.069 1.00 0.93 H new ATOM 0 HA2 GLY A 26 17.720 9.670 -7.435 1.00 0.97 H new ATOM 0 HA3 GLY A 26 16.127 9.376 -8.104 1.00 0.97 H new ATOM 374 N ASP A 27 16.925 11.944 -8.376 1.00 0.91 N ATOM 375 CA ASP A 27 16.940 13.367 -8.705 1.00 1.32 C ATOM 376 C ASP A 27 15.814 13.752 -9.682 1.00 1.29 C ATOM 377 O ASP A 27 15.571 14.926 -9.955 1.00 1.55 O ATOM 378 CB ASP A 27 18.331 13.613 -9.299 1.00 1.74 C ATOM 379 CG ASP A 27 19.420 13.362 -8.247 1.00 2.14 C ATOM 380 OD1 ASP A 27 19.803 12.184 -8.065 1.00 2.61 O ATOM 381 OD2 ASP A 27 19.741 14.288 -7.473 1.00 2.93 O ATOM 0 H ASP A 27 17.398 11.395 -9.094 1.00 0.91 H new ATOM 0 HA ASP A 27 16.757 13.988 -7.828 1.00 1.32 H new ATOM 0 HB2 ASP A 27 18.488 12.958 -10.156 1.00 1.74 H new ATOM 0 HB3 ASP A 27 18.400 14.638 -9.665 1.00 1.74 H new ATOM 386 N LEU A 28 15.085 12.739 -10.158 1.00 1.02 N ATOM 387 CA LEU A 28 13.863 12.810 -10.959 1.00 0.96 C ATOM 388 C LEU A 28 12.718 12.081 -10.212 1.00 0.82 C ATOM 389 O LEU A 28 12.988 11.303 -9.291 1.00 0.81 O ATOM 390 CB LEU A 28 14.156 12.160 -12.327 1.00 1.05 C ATOM 391 CG LEU A 28 15.301 12.803 -13.141 1.00 2.57 C ATOM 392 CD1 LEU A 28 15.562 11.955 -14.393 1.00 3.55 C ATOM 393 CD2 LEU A 28 14.966 14.244 -13.558 1.00 3.93 C ATOM 0 H LEU A 28 15.357 11.772 -9.978 1.00 1.02 H new ATOM 0 HA LEU A 28 13.549 13.842 -11.116 1.00 0.96 H new ATOM 0 HB2 LEU A 28 14.395 11.109 -12.166 1.00 1.05 H new ATOM 0 HB3 LEU A 28 13.246 12.192 -12.926 1.00 1.05 H new ATOM 0 HG LEU A 28 16.189 12.838 -12.510 1.00 2.57 H new ATOM 0 HD11 LEU A 28 16.369 12.402 -14.973 1.00 3.55 H new ATOM 0 HD12 LEU A 28 15.845 10.945 -14.096 1.00 3.55 H new ATOM 0 HD13 LEU A 28 14.658 11.915 -15.000 1.00 3.55 H new ATOM 0 HD21 LEU A 28 15.797 14.660 -14.128 1.00 3.93 H new ATOM 0 HD22 LEU A 28 14.067 14.245 -14.174 1.00 3.93 H new ATOM 0 HD23 LEU A 28 14.797 14.850 -12.668 1.00 3.93 H new ATOM 405 N PRO A 29 11.437 12.305 -10.565 1.00 0.81 N ATOM 406 CA PRO A 29 10.314 11.841 -9.761 1.00 0.74 C ATOM 407 C PRO A 29 10.022 10.353 -9.993 1.00 0.69 C ATOM 408 O PRO A 29 10.240 9.814 -11.082 1.00 0.79 O ATOM 409 CB PRO A 29 9.138 12.741 -10.148 1.00 0.83 C ATOM 410 CG PRO A 29 9.441 13.132 -11.593 1.00 0.92 C ATOM 411 CD PRO A 29 10.968 13.054 -11.714 1.00 0.92 C ATOM 0 HA PRO A 29 10.524 11.912 -8.694 1.00 0.74 H new ATOM 0 HB2 PRO A 29 8.187 12.214 -10.067 1.00 0.83 H new ATOM 0 HB3 PRO A 29 9.074 13.616 -9.501 1.00 0.83 H new ATOM 0 HG2 PRO A 29 8.954 12.455 -12.295 1.00 0.92 H new ATOM 0 HG3 PRO A 29 9.078 14.136 -11.815 1.00 0.92 H new ATOM 0 HD2 PRO A 29 11.258 12.562 -12.642 1.00 0.92 H new ATOM 0 HD3 PRO A 29 11.407 14.052 -11.731 1.00 0.92 H new ATOM 419 N LEU A 30 9.494 9.697 -8.956 1.00 0.64 N ATOM 420 CA LEU A 30 8.946 8.346 -9.031 1.00 0.61 C ATOM 421 C LEU A 30 7.431 8.402 -9.039 1.00 0.58 C ATOM 422 O LEU A 30 6.807 9.234 -8.385 1.00 0.64 O ATOM 423 CB LEU A 30 9.402 7.472 -7.852 1.00 0.65 C ATOM 424 CG LEU A 30 10.854 7.005 -7.984 1.00 0.70 C ATOM 425 CD1 LEU A 30 11.333 6.420 -6.647 1.00 1.85 C ATOM 426 CD2 LEU A 30 11.086 5.953 -9.075 1.00 1.69 C ATOM 0 H LEU A 30 9.436 10.102 -8.022 1.00 0.64 H new ATOM 0 HA LEU A 30 9.317 7.899 -9.953 1.00 0.61 H new ATOM 0 HB2 LEU A 30 9.289 8.034 -6.925 1.00 0.65 H new ATOM 0 HB3 LEU A 30 8.751 6.601 -7.778 1.00 0.65 H new ATOM 0 HG LEU A 30 11.419 7.892 -8.269 1.00 0.70 H new ATOM 0 HD11 LEU A 30 12.367 6.089 -6.744 1.00 1.85 H new ATOM 0 HD12 LEU A 30 11.268 7.183 -5.872 1.00 1.85 H new ATOM 0 HD13 LEU A 30 10.704 5.572 -6.375 1.00 1.85 H new ATOM 0 HD21 LEU A 30 12.141 5.680 -9.099 1.00 1.69 H new ATOM 0 HD22 LEU A 30 10.487 5.068 -8.861 1.00 1.69 H new ATOM 0 HD23 LEU A 30 10.795 6.362 -10.043 1.00 1.69 H new ATOM 438 N ARG A 31 6.883 7.413 -9.727 1.00 0.54 N ATOM 439 CA ARG A 31 5.441 7.222 -9.900 1.00 0.49 C ATOM 440 C ARG A 31 5.064 5.767 -9.659 1.00 0.47 C ATOM 441 O ARG A 31 5.337 4.913 -10.499 1.00 0.52 O ATOM 442 CB ARG A 31 5.009 7.707 -11.289 1.00 0.52 C ATOM 443 CG ARG A 31 3.475 7.805 -11.383 1.00 0.54 C ATOM 444 CD ARG A 31 3.001 8.629 -12.587 1.00 0.69 C ATOM 445 NE ARG A 31 3.454 10.019 -12.454 1.00 0.96 N ATOM 446 CZ ARG A 31 3.516 10.978 -13.359 1.00 1.03 C ATOM 447 NH1 ARG A 31 3.022 10.830 -14.574 1.00 1.68 N ATOM 448 NH2 ARG A 31 4.098 12.106 -13.026 1.00 1.69 N ATOM 0 H ARG A 31 7.439 6.698 -10.196 1.00 0.54 H new ATOM 0 HA ARG A 31 4.907 7.820 -9.161 1.00 0.49 H new ATOM 0 HB2 ARG A 31 5.453 8.681 -11.493 1.00 0.52 H new ATOM 0 HB3 ARG A 31 5.381 7.021 -12.050 1.00 0.52 H new ATOM 0 HG2 ARG A 31 3.055 6.801 -11.449 1.00 0.54 H new ATOM 0 HG3 ARG A 31 3.088 8.253 -10.468 1.00 0.54 H new ATOM 0 HD2 ARG A 31 3.390 8.198 -13.509 1.00 0.69 H new ATOM 0 HD3 ARG A 31 1.914 8.597 -12.654 1.00 0.69 H new ATOM 0 HE ARG A 31 3.769 10.284 -11.521 1.00 0.96 H new ATOM 0 HH11 ARG A 31 2.574 9.953 -14.839 1.00 1.68 H new ATOM 0 HH12 ARG A 31 3.088 11.593 -15.248 1.00 1.68 H new ATOM 0 HH21 ARG A 31 4.487 12.223 -12.090 1.00 1.69 H new ATOM 0 HH22 ARG A 31 4.162 12.866 -13.703 1.00 1.69 H new ATOM 462 N LEU A 32 4.516 5.467 -8.490 1.00 0.48 N ATOM 463 CA LEU A 32 4.223 4.121 -8.009 1.00 0.49 C ATOM 464 C LEU A 32 2.819 3.731 -8.492 1.00 0.51 C ATOM 465 O LEU A 32 1.833 4.238 -7.969 1.00 0.59 O ATOM 466 CB LEU A 32 4.359 4.170 -6.474 1.00 0.51 C ATOM 467 CG LEU A 32 4.605 2.836 -5.734 1.00 0.87 C ATOM 468 CD1 LEU A 32 3.993 2.911 -4.327 1.00 1.72 C ATOM 469 CD2 LEU A 32 4.088 1.587 -6.448 1.00 1.77 C ATOM 0 H LEU A 32 4.251 6.188 -7.819 1.00 0.48 H new ATOM 0 HA LEU A 32 4.903 3.360 -8.391 1.00 0.49 H new ATOM 0 HB2 LEU A 32 5.180 4.845 -6.231 1.00 0.51 H new ATOM 0 HB3 LEU A 32 3.450 4.615 -6.070 1.00 0.51 H new ATOM 0 HG LEU A 32 5.688 2.721 -5.698 1.00 0.87 H new ATOM 0 HD11 LEU A 32 4.166 1.970 -3.804 1.00 1.72 H new ATOM 0 HD12 LEU A 32 4.457 3.726 -3.771 1.00 1.72 H new ATOM 0 HD13 LEU A 32 2.921 3.090 -4.406 1.00 1.72 H new ATOM 0 HD21 LEU A 32 4.310 0.706 -5.846 1.00 1.77 H new ATOM 0 HD22 LEU A 32 3.010 1.668 -6.588 1.00 1.77 H new ATOM 0 HD23 LEU A 32 4.574 1.496 -7.419 1.00 1.77 H new ATOM 481 N VAL A 33 2.732 2.871 -9.505 1.00 0.46 N ATOM 482 CA VAL A 33 1.475 2.585 -10.231 1.00 0.46 C ATOM 483 C VAL A 33 0.786 1.310 -9.729 1.00 0.45 C ATOM 484 O VAL A 33 -0.438 1.205 -9.772 1.00 0.53 O ATOM 485 CB VAL A 33 1.682 2.523 -11.771 1.00 0.48 C ATOM 486 CG1 VAL A 33 2.394 3.780 -12.309 1.00 0.63 C ATOM 487 CG2 VAL A 33 2.471 1.301 -12.282 1.00 0.53 C ATOM 0 H VAL A 33 3.532 2.344 -9.855 1.00 0.46 H new ATOM 0 HA VAL A 33 0.814 3.425 -10.018 1.00 0.46 H new ATOM 0 HB VAL A 33 0.662 2.447 -12.147 1.00 0.48 H new ATOM 0 HG11 VAL A 33 2.518 3.694 -13.389 1.00 0.63 H new ATOM 0 HG12 VAL A 33 1.796 4.662 -12.082 1.00 0.63 H new ATOM 0 HG13 VAL A 33 3.372 3.874 -11.838 1.00 0.63 H new ATOM 0 HG21 VAL A 33 2.560 1.353 -13.367 1.00 0.53 H new ATOM 0 HG22 VAL A 33 3.466 1.298 -11.836 1.00 0.53 H new ATOM 0 HG23 VAL A 33 1.946 0.387 -12.004 1.00 0.53 H new ATOM 497 N GLY A 34 1.571 0.340 -9.247 1.00 0.42 N ATOM 498 CA GLY A 34 1.082 -0.933 -8.711 1.00 0.43 C ATOM 499 C GLY A 34 2.086 -1.595 -7.784 1.00 0.43 C ATOM 500 O GLY A 34 3.165 -1.063 -7.533 1.00 0.44 O ATOM 0 H GLY A 34 2.587 0.421 -9.219 1.00 0.42 H new ATOM 0 HA2 GLY A 34 0.150 -0.763 -8.171 1.00 0.43 H new ATOM 0 HA3 GLY A 34 0.854 -1.608 -9.536 1.00 0.43 H new ATOM 504 N ALA A 35 1.753 -2.794 -7.328 1.00 0.46 N ATOM 505 CA ALA A 35 2.709 -3.680 -6.684 1.00 0.47 C ATOM 506 C ALA A 35 2.642 -5.108 -7.250 1.00 0.46 C ATOM 507 O ALA A 35 1.760 -5.450 -8.039 1.00 0.49 O ATOM 508 CB ALA A 35 2.491 -3.614 -5.166 1.00 0.60 C ATOM 0 H ALA A 35 0.811 -3.179 -7.395 1.00 0.46 H new ATOM 0 HA ALA A 35 3.725 -3.347 -6.898 1.00 0.47 H new ATOM 0 HB1 ALA A 35 3.201 -4.274 -4.667 1.00 0.60 H new ATOM 0 HB2 ALA A 35 2.642 -2.591 -4.821 1.00 0.60 H new ATOM 0 HB3 ALA A 35 1.475 -3.930 -4.930 1.00 0.60 H new ATOM 514 N ARG A 36 3.569 -5.950 -6.796 1.00 0.58 N ATOM 515 CA ARG A 36 3.479 -7.412 -6.768 1.00 0.56 C ATOM 516 C ARG A 36 3.792 -7.875 -5.335 1.00 0.45 C ATOM 517 O ARG A 36 4.299 -7.095 -4.532 1.00 0.50 O ATOM 518 CB ARG A 36 4.439 -8.012 -7.818 1.00 0.72 C ATOM 519 CG ARG A 36 3.878 -8.004 -9.252 1.00 1.28 C ATOM 520 CD ARG A 36 3.149 -9.291 -9.684 1.00 1.90 C ATOM 521 NE ARG A 36 1.953 -9.605 -8.876 1.00 3.05 N ATOM 522 CZ ARG A 36 1.878 -10.452 -7.855 1.00 4.17 C ATOM 523 NH1 ARG A 36 2.918 -11.134 -7.421 1.00 4.32 N ATOM 524 NH2 ARG A 36 0.736 -10.626 -7.229 1.00 5.78 N ATOM 0 H ARG A 36 4.454 -5.613 -6.416 1.00 0.58 H new ATOM 0 HA ARG A 36 2.480 -7.760 -7.030 1.00 0.56 H new ATOM 0 HB2 ARG A 36 5.375 -7.454 -7.801 1.00 0.72 H new ATOM 0 HB3 ARG A 36 4.675 -9.038 -7.536 1.00 0.72 H new ATOM 0 HG2 ARG A 36 3.188 -7.166 -9.349 1.00 1.28 H new ATOM 0 HG3 ARG A 36 4.700 -7.822 -9.944 1.00 1.28 H new ATOM 0 HD2 ARG A 36 2.854 -9.196 -10.729 1.00 1.90 H new ATOM 0 HD3 ARG A 36 3.845 -10.128 -9.624 1.00 1.90 H new ATOM 0 HE ARG A 36 1.092 -9.120 -9.129 1.00 3.05 H new ATOM 0 HH11 ARG A 36 3.826 -11.022 -7.873 1.00 4.32 H new ATOM 0 HH12 ARG A 36 2.816 -11.774 -6.633 1.00 4.32 H new ATOM 0 HH21 ARG A 36 -0.093 -10.111 -7.527 1.00 5.78 H new ATOM 0 HH22 ARG A 36 0.678 -11.276 -6.445 1.00 5.78 H new ATOM 538 N THR A 37 3.455 -9.123 -4.998 1.00 0.42 N ATOM 539 CA THR A 37 3.550 -9.744 -3.659 1.00 0.44 C ATOM 540 C THR A 37 3.248 -11.247 -3.787 1.00 0.52 C ATOM 541 O THR A 37 2.523 -11.615 -4.720 1.00 0.49 O ATOM 542 CB THR A 37 2.622 -9.049 -2.645 1.00 0.53 C ATOM 543 OG1 THR A 37 2.608 -9.744 -1.422 1.00 0.76 O ATOM 544 CG2 THR A 37 1.176 -8.921 -3.125 1.00 0.62 C ATOM 0 H THR A 37 3.085 -9.773 -5.691 1.00 0.42 H new ATOM 0 HA THR A 37 4.561 -9.620 -3.272 1.00 0.44 H new ATOM 0 HB THR A 37 3.033 -8.047 -2.525 1.00 0.53 H new ATOM 0 HG1 THR A 37 3.351 -9.436 -0.862 1.00 0.76 H new ATOM 0 HG21 THR A 37 0.581 -8.422 -2.360 1.00 0.62 H new ATOM 0 HG22 THR A 37 1.148 -8.336 -4.045 1.00 0.62 H new ATOM 0 HG23 THR A 37 0.766 -9.913 -3.313 1.00 0.62 H new ATOM 552 N PRO A 38 3.795 -12.134 -2.932 1.00 0.72 N ATOM 553 CA PRO A 38 3.564 -13.573 -3.048 1.00 0.79 C ATOM 554 C PRO A 38 2.224 -14.038 -2.469 1.00 0.77 C ATOM 555 O PRO A 38 1.716 -15.074 -2.889 1.00 0.87 O ATOM 556 CB PRO A 38 4.754 -14.227 -2.341 1.00 0.98 C ATOM 557 CG PRO A 38 5.221 -13.187 -1.324 1.00 1.02 C ATOM 558 CD PRO A 38 4.865 -11.858 -1.984 1.00 0.86 C ATOM 0 HA PRO A 38 3.495 -13.862 -4.097 1.00 0.79 H new ATOM 0 HB2 PRO A 38 4.462 -15.156 -1.851 1.00 0.98 H new ATOM 0 HB3 PRO A 38 5.547 -14.474 -3.047 1.00 0.98 H new ATOM 0 HG2 PRO A 38 4.715 -13.307 -0.366 1.00 1.02 H new ATOM 0 HG3 PRO A 38 6.291 -13.266 -1.132 1.00 1.02 H new ATOM 0 HD2 PRO A 38 4.544 -11.130 -1.239 1.00 0.86 H new ATOM 0 HD3 PRO A 38 5.731 -11.434 -2.491 1.00 0.86 H new ATOM 566 N VAL A 39 1.638 -13.298 -1.523 1.00 0.78 N ATOM 567 CA VAL A 39 0.437 -13.707 -0.764 1.00 0.78 C ATOM 568 C VAL A 39 -0.847 -13.010 -1.217 1.00 0.70 C ATOM 569 O VAL A 39 -1.829 -12.973 -0.483 1.00 0.75 O ATOM 570 CB VAL A 39 0.676 -13.536 0.754 1.00 0.87 C ATOM 571 CG1 VAL A 39 1.891 -14.358 1.216 1.00 0.95 C ATOM 572 CG2 VAL A 39 0.866 -12.056 1.112 1.00 0.90 C ATOM 0 H VAL A 39 1.987 -12.378 -1.253 1.00 0.78 H new ATOM 0 HA VAL A 39 0.277 -14.763 -0.980 1.00 0.78 H new ATOM 0 HB VAL A 39 -0.207 -13.907 1.275 1.00 0.87 H new ATOM 0 HG11 VAL A 39 2.037 -14.220 2.287 1.00 0.95 H new ATOM 0 HG12 VAL A 39 1.717 -15.413 1.006 1.00 0.95 H new ATOM 0 HG13 VAL A 39 2.781 -14.024 0.682 1.00 0.95 H new ATOM 0 HG21 VAL A 39 1.033 -11.960 2.185 1.00 0.90 H new ATOM 0 HG22 VAL A 39 1.727 -11.659 0.574 1.00 0.90 H new ATOM 0 HG23 VAL A 39 -0.026 -11.496 0.832 1.00 0.90 H new ATOM 582 N ALA A 40 -0.861 -12.519 -2.452 1.00 0.63 N ATOM 583 CA ALA A 40 -2.025 -11.987 -3.161 1.00 0.60 C ATOM 584 C ALA A 40 -1.742 -12.053 -4.661 1.00 0.79 C ATOM 585 O ALA A 40 -0.596 -12.028 -5.112 1.00 1.03 O ATOM 586 CB ALA A 40 -2.298 -10.561 -2.689 1.00 0.63 C ATOM 0 H ALA A 40 -0.014 -12.478 -3.019 1.00 0.63 H new ATOM 0 HA ALA A 40 -2.919 -12.575 -2.951 1.00 0.60 H new ATOM 0 HB1 ALA A 40 -3.165 -10.163 -3.216 1.00 0.63 H new ATOM 0 HB2 ALA A 40 -2.495 -10.564 -1.617 1.00 0.63 H new ATOM 0 HB3 ALA A 40 -1.429 -9.936 -2.896 1.00 0.63 H new ATOM 592 N GLU A 41 -2.811 -12.168 -5.426 1.00 0.87 N ATOM 593 CA GLU A 41 -2.815 -12.351 -6.868 1.00 1.03 C ATOM 594 C GLU A 41 -2.864 -10.983 -7.554 1.00 1.10 C ATOM 595 O GLU A 41 -1.879 -10.495 -8.122 1.00 1.70 O ATOM 596 CB GLU A 41 -4.063 -13.191 -7.122 1.00 1.07 C ATOM 597 CG GLU A 41 -4.274 -13.660 -8.553 1.00 1.29 C ATOM 598 CD GLU A 41 -5.526 -14.515 -8.494 1.00 1.98 C ATOM 599 OE1 GLU A 41 -5.384 -15.677 -8.041 1.00 2.34 O ATOM 600 OE2 GLU A 41 -6.606 -13.937 -8.722 1.00 3.50 O ATOM 0 H GLU A 41 -3.754 -12.135 -5.037 1.00 0.87 H new ATOM 0 HA GLU A 41 -1.926 -12.843 -7.264 1.00 1.03 H new ATOM 0 HB2 GLU A 41 -4.024 -14.068 -6.476 1.00 1.07 H new ATOM 0 HB3 GLU A 41 -4.935 -12.611 -6.819 1.00 1.07 H new ATOM 0 HG2 GLU A 41 -4.401 -12.817 -9.232 1.00 1.29 H new ATOM 0 HG3 GLU A 41 -3.419 -14.233 -8.913 1.00 1.29 H new ATOM 607 N ARG A 42 -3.995 -10.306 -7.371 1.00 0.80 N ATOM 608 CA ARG A 42 -4.153 -8.897 -7.646 1.00 0.86 C ATOM 609 C ARG A 42 -3.712 -8.172 -6.382 1.00 0.74 C ATOM 610 O ARG A 42 -3.999 -8.578 -5.265 1.00 0.94 O ATOM 611 CB ARG A 42 -5.614 -8.570 -7.990 1.00 1.08 C ATOM 612 CG ARG A 42 -6.096 -9.268 -9.273 1.00 1.33 C ATOM 613 CD ARG A 42 -7.539 -8.893 -9.642 1.00 1.63 C ATOM 614 NE ARG A 42 -7.648 -7.510 -10.143 1.00 3.25 N ATOM 615 CZ ARG A 42 -8.019 -6.429 -9.460 1.00 4.78 C ATOM 616 NH1 ARG A 42 -8.353 -6.441 -8.189 1.00 5.34 N ATOM 617 NH2 ARG A 42 -8.064 -5.259 -10.047 1.00 6.40 N ATOM 0 H ARG A 42 -4.846 -10.743 -7.017 1.00 0.80 H new ATOM 0 HA ARG A 42 -3.558 -8.588 -8.505 1.00 0.86 H new ATOM 0 HB2 ARG A 42 -6.253 -8.867 -7.159 1.00 1.08 H new ATOM 0 HB3 ARG A 42 -5.722 -7.492 -8.106 1.00 1.08 H new ATOM 0 HG2 ARG A 42 -5.434 -9.003 -10.097 1.00 1.33 H new ATOM 0 HG3 ARG A 42 -6.027 -10.348 -9.143 1.00 1.33 H new ATOM 0 HD2 ARG A 42 -7.908 -9.582 -10.402 1.00 1.63 H new ATOM 0 HD3 ARG A 42 -8.178 -9.011 -8.767 1.00 1.63 H new ATOM 0 HE ARG A 42 -7.412 -7.365 -11.125 1.00 3.25 H new ATOM 0 HH11 ARG A 42 -8.337 -7.316 -7.666 1.00 5.34 H new ATOM 0 HH12 ARG A 42 -8.628 -5.575 -7.726 1.00 5.34 H new ATOM 0 HH21 ARG A 42 -7.814 -5.173 -11.032 1.00 6.40 H new ATOM 0 HH22 ARG A 42 -8.349 -4.434 -9.519 1.00 6.40 H new ATOM 631 N VAL A 43 -3.026 -7.070 -6.570 1.00 0.80 N ATOM 632 CA VAL A 43 -2.827 -6.047 -5.546 1.00 0.78 C ATOM 633 C VAL A 43 -3.211 -4.712 -6.177 1.00 0.95 C ATOM 634 O VAL A 43 -2.798 -4.423 -7.299 1.00 1.34 O ATOM 635 CB VAL A 43 -1.403 -6.085 -4.970 1.00 0.90 C ATOM 636 CG1 VAL A 43 -0.305 -5.898 -6.019 1.00 1.18 C ATOM 637 CG2 VAL A 43 -1.230 -5.067 -3.842 1.00 0.98 C ATOM 0 H VAL A 43 -2.576 -6.845 -7.457 1.00 0.80 H new ATOM 0 HA VAL A 43 -3.460 -6.223 -4.677 1.00 0.78 H new ATOM 0 HB VAL A 43 -1.284 -7.092 -4.570 1.00 0.90 H new ATOM 0 HG11 VAL A 43 0.671 -5.937 -5.535 1.00 1.18 H new ATOM 0 HG12 VAL A 43 -0.373 -6.692 -6.763 1.00 1.18 H new ATOM 0 HG13 VAL A 43 -0.429 -4.932 -6.508 1.00 1.18 H new ATOM 0 HG21 VAL A 43 -0.212 -5.120 -3.457 1.00 0.98 H new ATOM 0 HG22 VAL A 43 -1.422 -4.064 -4.224 1.00 0.98 H new ATOM 0 HG23 VAL A 43 -1.933 -5.290 -3.040 1.00 0.98 H new ATOM 647 N GLU A 44 -4.091 -3.981 -5.502 1.00 0.70 N ATOM 648 CA GLU A 44 -4.841 -2.860 -6.063 1.00 0.57 C ATOM 649 C GLU A 44 -4.606 -1.621 -5.210 1.00 0.47 C ATOM 650 O GLU A 44 -4.785 -1.663 -3.994 1.00 0.71 O ATOM 651 CB GLU A 44 -6.325 -3.246 -6.075 1.00 0.71 C ATOM 652 CG GLU A 44 -7.210 -2.286 -6.865 1.00 1.54 C ATOM 653 CD GLU A 44 -8.599 -2.903 -6.951 1.00 1.76 C ATOM 654 OE1 GLU A 44 -8.794 -3.740 -7.863 1.00 2.31 O ATOM 655 OE2 GLU A 44 -9.422 -2.623 -6.056 1.00 2.63 O ATOM 0 H GLU A 44 -4.310 -4.156 -4.521 1.00 0.70 H new ATOM 0 HA GLU A 44 -4.515 -2.637 -7.079 1.00 0.57 H new ATOM 0 HB2 GLU A 44 -6.426 -4.247 -6.496 1.00 0.71 H new ATOM 0 HB3 GLU A 44 -6.686 -3.294 -5.048 1.00 0.71 H new ATOM 0 HG2 GLU A 44 -7.253 -1.314 -6.374 1.00 1.54 H new ATOM 0 HG3 GLU A 44 -6.802 -2.122 -7.862 1.00 1.54 H new ATOM 662 N LEU A 45 -4.171 -0.523 -5.822 1.00 0.61 N ATOM 663 CA LEU A 45 -3.826 0.695 -5.100 1.00 0.56 C ATOM 664 C LEU A 45 -5.088 1.493 -4.743 1.00 0.48 C ATOM 665 O LEU A 45 -5.861 1.873 -5.626 1.00 0.49 O ATOM 666 CB LEU A 45 -2.846 1.481 -5.977 1.00 0.69 C ATOM 667 CG LEU A 45 -2.337 2.776 -5.328 1.00 0.65 C ATOM 668 CD1 LEU A 45 -1.416 2.542 -4.125 1.00 0.81 C ATOM 669 CD2 LEU A 45 -1.579 3.553 -6.400 1.00 0.98 C ATOM 0 H LEU A 45 -4.048 -0.454 -6.832 1.00 0.61 H new ATOM 0 HA LEU A 45 -3.348 0.470 -4.147 1.00 0.56 H new ATOM 0 HB2 LEU A 45 -1.993 0.844 -6.214 1.00 0.69 H new ATOM 0 HB3 LEU A 45 -3.333 1.725 -6.921 1.00 0.69 H new ATOM 0 HG LEU A 45 -3.198 3.323 -4.945 1.00 0.65 H new ATOM 0 HD11 LEU A 45 -1.096 3.502 -3.719 1.00 0.81 H new ATOM 0 HD12 LEU A 45 -1.954 1.985 -3.358 1.00 0.81 H new ATOM 0 HD13 LEU A 45 -0.542 1.973 -4.441 1.00 0.81 H new ATOM 0 HD21 LEU A 45 -1.200 4.483 -5.976 1.00 0.98 H new ATOM 0 HD22 LEU A 45 -0.744 2.953 -6.762 1.00 0.98 H new ATOM 0 HD23 LEU A 45 -2.250 3.779 -7.229 1.00 0.98 H new ATOM 681 N HIS A 46 -5.283 1.758 -3.452 1.00 0.46 N ATOM 682 CA HIS A 46 -6.410 2.508 -2.905 1.00 0.44 C ATOM 683 C HIS A 46 -5.971 3.771 -2.137 1.00 0.43 C ATOM 684 O HIS A 46 -4.855 3.882 -1.619 1.00 0.52 O ATOM 685 CB HIS A 46 -7.213 1.615 -1.935 1.00 0.47 C ATOM 686 CG HIS A 46 -7.987 0.449 -2.490 1.00 0.49 C ATOM 687 ND1 HIS A 46 -8.713 -0.444 -1.711 1.00 0.52 N ATOM 688 CD2 HIS A 46 -8.122 0.065 -3.791 1.00 0.50 C ATOM 689 CE1 HIS A 46 -9.259 -1.337 -2.542 1.00 0.54 C ATOM 690 NE2 HIS A 46 -8.928 -1.053 -3.809 1.00 0.54 N ATOM 0 H HIS A 46 -4.634 1.443 -2.731 1.00 0.46 H new ATOM 0 HA HIS A 46 -7.017 2.817 -3.756 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -6.516 1.225 -1.193 1.00 0.47 H new ATOM 0 HB3 HIS A 46 -7.918 2.255 -1.404 1.00 0.47 H new ATOM 0 HD2 HIS A 46 -7.679 0.548 -4.650 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -9.878 -2.168 -2.236 1.00 0.54 H new ATOM 0 HE2 HIS A 46 -9.220 -1.571 -4.638 1.00 0.54 H new ATOM 698 N GLU A 47 -6.941 4.662 -1.965 1.00 0.41 N ATOM 699 CA GLU A 47 -6.975 5.746 -0.990 1.00 0.42 C ATOM 700 C GLU A 47 -8.060 5.493 0.067 1.00 0.43 C ATOM 701 O GLU A 47 -9.013 4.747 -0.174 1.00 0.57 O ATOM 702 CB GLU A 47 -7.165 7.080 -1.728 1.00 0.45 C ATOM 703 CG GLU A 47 -8.567 7.358 -2.276 1.00 0.52 C ATOM 704 CD GLU A 47 -8.628 8.588 -3.192 1.00 1.33 C ATOM 705 OE1 GLU A 47 -7.614 9.322 -3.300 1.00 2.88 O ATOM 706 OE2 GLU A 47 -9.716 8.756 -3.790 1.00 1.94 O ATOM 0 H GLU A 47 -7.782 4.645 -2.542 1.00 0.41 H new ATOM 0 HA GLU A 47 -6.029 5.793 -0.450 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -6.897 7.888 -1.048 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -6.460 7.115 -2.558 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -8.913 6.485 -2.829 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -9.254 7.500 -1.442 1.00 0.52 H new ATOM 713 N THR A 48 -7.922 6.151 1.222 1.00 0.52 N ATOM 714 CA THR A 48 -8.916 6.288 2.297 1.00 0.52 C ATOM 715 C THR A 48 -9.083 7.791 2.515 1.00 0.57 C ATOM 716 O THR A 48 -8.106 8.530 2.408 1.00 0.66 O ATOM 717 CB THR A 48 -8.421 5.612 3.585 1.00 0.61 C ATOM 718 OG1 THR A 48 -8.306 4.224 3.383 1.00 0.77 O ATOM 719 CG2 THR A 48 -9.350 5.788 4.784 1.00 0.77 C ATOM 0 H THR A 48 -7.054 6.636 1.449 1.00 0.52 H new ATOM 0 HA THR A 48 -9.859 5.810 2.032 1.00 0.52 H new ATOM 0 HB THR A 48 -7.469 6.095 3.805 1.00 0.61 H new ATOM 0 HG1 THR A 48 -7.988 3.799 4.207 1.00 0.77 H new ATOM 0 HG21 THR A 48 -8.926 5.280 5.650 1.00 0.77 H new ATOM 0 HG22 THR A 48 -9.463 6.850 5.004 1.00 0.77 H new ATOM 0 HG23 THR A 48 -10.326 5.360 4.554 1.00 0.77 H new ATOM 727 N PHE A 49 -10.300 8.254 2.804 1.00 0.62 N ATOM 728 CA PHE A 49 -10.629 9.684 2.893 1.00 0.72 C ATOM 729 C PHE A 49 -11.791 9.959 3.848 1.00 0.73 C ATOM 730 O PHE A 49 -12.481 9.048 4.300 1.00 0.72 O ATOM 731 CB PHE A 49 -10.944 10.235 1.491 1.00 0.81 C ATOM 732 CG PHE A 49 -12.119 9.569 0.797 1.00 0.83 C ATOM 733 CD1 PHE A 49 -11.934 8.382 0.063 1.00 2.05 C ATOM 734 CD2 PHE A 49 -13.405 10.136 0.882 1.00 1.77 C ATOM 735 CE1 PHE A 49 -13.028 7.764 -0.563 1.00 2.10 C ATOM 736 CE2 PHE A 49 -14.502 9.509 0.266 1.00 1.78 C ATOM 737 CZ PHE A 49 -14.316 8.314 -0.449 1.00 0.95 C ATOM 0 H PHE A 49 -11.096 7.643 2.985 1.00 0.62 H new ATOM 0 HA PHE A 49 -9.757 10.196 3.301 1.00 0.72 H new ATOM 0 HB2 PHE A 49 -11.145 11.303 1.572 1.00 0.81 H new ATOM 0 HB3 PHE A 49 -10.059 10.124 0.865 1.00 0.81 H new ATOM 0 HD1 PHE A 49 -10.949 7.946 -0.019 1.00 2.05 H new ATOM 0 HD2 PHE A 49 -13.550 11.059 1.424 1.00 1.77 H new ATOM 0 HE1 PHE A 49 -12.879 6.861 -1.136 1.00 2.10 H new ATOM 0 HE2 PHE A 49 -15.487 9.945 0.342 1.00 1.78 H new ATOM 0 HZ PHE A 49 -15.159 7.820 -0.909 1.00 0.95 H new ATOM 747 N MET A 50 -12.034 11.239 4.141 1.00 0.83 N ATOM 748 CA MET A 50 -13.177 11.695 4.941 1.00 0.86 C ATOM 749 C MET A 50 -14.322 12.213 4.059 1.00 0.72 C ATOM 750 O MET A 50 -14.092 12.842 3.031 1.00 0.68 O ATOM 751 CB MET A 50 -12.738 12.739 5.972 1.00 0.99 C ATOM 752 CG MET A 50 -12.155 14.022 5.372 1.00 2.93 C ATOM 753 SD MET A 50 -12.177 15.401 6.544 1.00 3.58 S ATOM 754 CE MET A 50 -13.627 16.283 5.914 1.00 4.34 C ATOM 0 H MET A 50 -11.434 12.001 3.825 1.00 0.83 H new ATOM 0 HA MET A 50 -13.566 10.833 5.484 1.00 0.86 H new ATOM 0 HB2 MET A 50 -13.595 13.001 6.592 1.00 0.99 H new ATOM 0 HB3 MET A 50 -11.994 12.290 6.630 1.00 0.99 H new ATOM 0 HG2 MET A 50 -11.130 13.837 5.051 1.00 2.93 H new ATOM 0 HG3 MET A 50 -12.723 14.295 4.483 1.00 2.93 H new ATOM 0 HE1 MET A 50 -13.801 17.174 6.517 1.00 4.34 H new ATOM 0 HE2 MET A 50 -13.454 16.574 4.878 1.00 4.34 H new ATOM 0 HE3 MET A 50 -14.500 15.632 5.967 1.00 4.34 H new ATOM 764 N ARG A 51 -15.561 11.952 4.472 1.00 0.76 N ATOM 765 CA ARG A 51 -16.781 12.311 3.735 1.00 0.73 C ATOM 766 C ARG A 51 -18.014 12.422 4.636 1.00 0.82 C ATOM 767 O ARG A 51 -18.120 11.784 5.686 1.00 0.85 O ATOM 768 CB ARG A 51 -17.043 11.310 2.592 1.00 1.04 C ATOM 769 CG ARG A 51 -16.975 9.838 3.040 1.00 2.11 C ATOM 770 CD ARG A 51 -17.889 8.911 2.232 1.00 2.85 C ATOM 771 NE ARG A 51 -17.832 7.552 2.798 1.00 4.89 N ATOM 772 CZ ARG A 51 -18.576 6.500 2.498 1.00 6.27 C ATOM 773 NH1 ARG A 51 -19.516 6.535 1.573 1.00 6.04 N ATOM 774 NH2 ARG A 51 -18.357 5.389 3.166 1.00 8.19 N ATOM 0 H ARG A 51 -15.754 11.472 5.351 1.00 0.76 H new ATOM 0 HA ARG A 51 -16.606 13.301 3.315 1.00 0.73 H new ATOM 0 HB2 ARG A 51 -18.026 11.507 2.165 1.00 1.04 H new ATOM 0 HB3 ARG A 51 -16.313 11.475 1.800 1.00 1.04 H new ATOM 0 HG2 ARG A 51 -15.947 9.487 2.953 1.00 2.11 H new ATOM 0 HG3 ARG A 51 -17.246 9.774 4.094 1.00 2.11 H new ATOM 0 HD2 ARG A 51 -18.913 9.283 2.254 1.00 2.85 H new ATOM 0 HD3 ARG A 51 -17.578 8.895 1.188 1.00 2.85 H new ATOM 0 HE ARG A 51 -17.124 7.402 3.517 1.00 4.89 H new ATOM 0 HH11 ARG A 51 -19.692 7.397 1.057 1.00 6.04 H new ATOM 0 HH12 ARG A 51 -20.067 5.700 1.374 1.00 6.04 H new ATOM 0 HH21 ARG A 51 -17.635 5.361 3.886 1.00 8.19 H new ATOM 0 HH22 ARG A 51 -18.909 4.556 2.965 1.00 8.19 H new ATOM 788 N GLU A 52 -18.981 13.216 4.198 1.00 1.03 N ATOM 789 CA GLU A 52 -20.363 13.132 4.640 1.00 1.39 C ATOM 790 C GLU A 52 -21.095 11.982 3.917 1.00 1.86 C ATOM 791 O GLU A 52 -20.634 11.539 2.863 1.00 2.41 O ATOM 792 CB GLU A 52 -20.999 14.507 4.362 1.00 1.91 C ATOM 793 CG GLU A 52 -21.700 15.043 5.602 1.00 1.73 C ATOM 794 CD GLU A 52 -22.956 14.245 5.845 1.00 3.60 C ATOM 795 OE1 GLU A 52 -22.834 13.155 6.445 1.00 4.32 O ATOM 796 OE2 GLU A 52 -24.021 14.640 5.346 1.00 5.11 O ATOM 0 H GLU A 52 -18.821 13.952 3.510 1.00 1.03 H new ATOM 0 HA GLU A 52 -20.434 12.903 5.703 1.00 1.39 H new ATOM 0 HB2 GLU A 52 -20.230 15.210 4.042 1.00 1.91 H new ATOM 0 HB3 GLU A 52 -21.714 14.423 3.543 1.00 1.91 H new ATOM 0 HG2 GLU A 52 -21.039 14.975 6.466 1.00 1.73 H new ATOM 0 HG3 GLU A 52 -21.944 16.097 5.469 1.00 1.73 H new ATOM 803 N VAL A 53 -22.213 11.508 4.476 1.00 1.87 N ATOM 804 CA VAL A 53 -23.165 10.571 3.871 1.00 2.50 C ATOM 805 C VAL A 53 -24.646 10.737 4.248 1.00 2.85 C ATOM 806 O VAL A 53 -25.497 10.122 3.608 1.00 4.17 O ATOM 807 CB VAL A 53 -22.768 9.100 4.154 1.00 2.63 C ATOM 808 CG1 VAL A 53 -21.447 8.654 3.504 1.00 3.79 C ATOM 809 CG2 VAL A 53 -22.714 8.780 5.659 1.00 3.32 C ATOM 0 H VAL A 53 -22.494 11.784 5.417 1.00 1.87 H new ATOM 0 HA VAL A 53 -23.092 10.825 2.814 1.00 2.50 H new ATOM 0 HB VAL A 53 -23.571 8.531 3.685 1.00 2.63 H new ATOM 0 HG11 VAL A 53 -21.251 7.612 3.757 1.00 3.79 H new ATOM 0 HG12 VAL A 53 -21.521 8.757 2.421 1.00 3.79 H new ATOM 0 HG13 VAL A 53 -20.632 9.276 3.873 1.00 3.79 H new ATOM 0 HG21 VAL A 53 -22.431 7.737 5.799 1.00 3.32 H new ATOM 0 HG22 VAL A 53 -21.978 9.423 6.142 1.00 3.32 H new ATOM 0 HG23 VAL A 53 -23.694 8.953 6.103 1.00 3.32 H new ATOM 819 N GLU A 54 -24.962 11.528 5.273 1.00 2.58 N ATOM 820 CA GLU A 54 -26.231 11.453 6.027 1.00 2.99 C ATOM 821 C GLU A 54 -26.391 12.444 7.219 1.00 2.78 C ATOM 822 O GLU A 54 -26.964 12.102 8.259 1.00 3.12 O ATOM 823 CB GLU A 54 -26.461 10.006 6.529 1.00 3.37 C ATOM 824 CG GLU A 54 -27.954 9.658 6.519 1.00 3.30 C ATOM 825 CD GLU A 54 -28.358 8.800 7.715 1.00 3.69 C ATOM 826 OE1 GLU A 54 -27.572 7.925 8.138 1.00 4.54 O ATOM 827 OE2 GLU A 54 -29.353 9.166 8.380 1.00 3.80 O ATOM 0 H GLU A 54 -24.336 12.257 5.616 1.00 2.58 H new ATOM 0 HA GLU A 54 -26.988 11.762 5.306 1.00 2.99 H new ATOM 0 HB2 GLU A 54 -25.915 9.306 5.897 1.00 3.37 H new ATOM 0 HB3 GLU A 54 -26.065 9.899 7.539 1.00 3.37 H new ATOM 0 HG2 GLU A 54 -28.539 10.578 6.521 1.00 3.30 H new ATOM 0 HG3 GLU A 54 -28.195 9.129 5.597 1.00 3.30 H new ATOM 834 N GLY A 55 -25.819 13.650 7.154 1.00 2.38 N ATOM 835 CA GLY A 55 -25.675 14.548 8.317 1.00 2.38 C ATOM 836 C GLY A 55 -24.661 14.028 9.344 1.00 1.86 C ATOM 837 O GLY A 55 -24.633 14.468 10.492 1.00 2.06 O ATOM 0 H GLY A 55 -25.439 14.038 6.291 1.00 2.38 H new ATOM 0 HA2 GLY A 55 -25.364 15.534 7.973 1.00 2.38 H new ATOM 0 HA3 GLY A 55 -26.645 14.670 8.799 1.00 2.38 H new ATOM 841 N LYS A 56 -23.834 13.062 8.944 1.00 1.39 N ATOM 842 CA LYS A 56 -22.976 12.215 9.768 1.00 1.20 C ATOM 843 C LYS A 56 -21.639 11.954 9.043 1.00 1.02 C ATOM 844 O LYS A 56 -21.445 10.969 8.337 1.00 1.49 O ATOM 845 CB LYS A 56 -23.726 10.914 10.121 1.00 1.38 C ATOM 846 CG LYS A 56 -24.813 11.157 11.183 1.00 1.78 C ATOM 847 CD LYS A 56 -25.542 9.876 11.616 1.00 2.39 C ATOM 848 CE LYS A 56 -26.469 9.289 10.544 1.00 2.86 C ATOM 849 NZ LYS A 56 -27.588 10.192 10.190 1.00 2.38 N ATOM 0 H LYS A 56 -23.740 12.834 7.954 1.00 1.39 H new ATOM 0 HA LYS A 56 -22.735 12.718 10.704 1.00 1.20 H new ATOM 0 HB2 LYS A 56 -24.182 10.500 9.221 1.00 1.38 H new ATOM 0 HB3 LYS A 56 -23.017 10.173 10.489 1.00 1.38 H new ATOM 0 HG2 LYS A 56 -24.358 11.620 12.058 1.00 1.78 H new ATOM 0 HG3 LYS A 56 -25.542 11.866 10.790 1.00 1.78 H new ATOM 0 HD2 LYS A 56 -24.802 9.125 11.891 1.00 2.39 H new ATOM 0 HD3 LYS A 56 -26.128 10.089 12.510 1.00 2.39 H new ATOM 0 HE2 LYS A 56 -25.887 9.071 9.648 1.00 2.86 H new ATOM 0 HE3 LYS A 56 -26.873 8.341 10.900 1.00 2.86 H new ATOM 0 HZ1 LYS A 56 -28.382 9.632 9.819 1.00 2.38 H new ATOM 0 HZ2 LYS A 56 -27.897 10.711 11.037 1.00 2.38 H new ATOM 0 HZ3 LYS A 56 -27.273 10.868 9.465 1.00 2.38 H new ATOM 863 N LYS A 57 -20.669 12.848 9.260 1.00 1.08 N ATOM 864 CA LYS A 57 -19.301 12.717 8.753 1.00 1.11 C ATOM 865 C LYS A 57 -18.610 11.409 9.207 1.00 1.12 C ATOM 866 O LYS A 57 -18.466 11.157 10.400 1.00 1.57 O ATOM 867 CB LYS A 57 -18.493 13.996 9.064 1.00 1.75 C ATOM 868 CG LYS A 57 -17.975 14.200 10.506 1.00 1.66 C ATOM 869 CD LYS A 57 -19.054 14.187 11.606 1.00 2.23 C ATOM 870 CE LYS A 57 -18.465 14.418 13.006 1.00 2.96 C ATOM 871 NZ LYS A 57 -17.977 15.807 13.198 1.00 3.72 N ATOM 0 H LYS A 57 -20.816 13.699 9.803 1.00 1.08 H new ATOM 0 HA LYS A 57 -19.347 12.624 7.668 1.00 1.11 H new ATOM 0 HB2 LYS A 57 -17.633 14.017 8.395 1.00 1.75 H new ATOM 0 HB3 LYS A 57 -19.116 14.854 8.810 1.00 1.75 H new ATOM 0 HG2 LYS A 57 -17.247 13.419 10.726 1.00 1.66 H new ATOM 0 HG3 LYS A 57 -17.445 15.152 10.552 1.00 1.66 H new ATOM 0 HD2 LYS A 57 -19.794 14.959 11.394 1.00 2.23 H new ATOM 0 HD3 LYS A 57 -19.576 13.230 11.588 1.00 2.23 H new ATOM 0 HE2 LYS A 57 -19.224 14.196 13.756 1.00 2.96 H new ATOM 0 HE3 LYS A 57 -17.642 13.722 13.169 1.00 2.96 H new ATOM 0 HZ1 LYS A 57 -17.621 15.919 14.169 1.00 3.72 H new ATOM 0 HZ2 LYS A 57 -17.210 16.002 12.523 1.00 3.72 H new ATOM 0 HZ3 LYS A 57 -18.758 16.475 13.037 1.00 3.72 H new ATOM 885 N VAL A 58 -18.170 10.623 8.229 1.00 0.97 N ATOM 886 CA VAL A 58 -17.539 9.300 8.310 1.00 1.33 C ATOM 887 C VAL A 58 -16.325 9.235 7.363 1.00 1.33 C ATOM 888 O VAL A 58 -15.981 10.231 6.731 1.00 1.48 O ATOM 889 CB VAL A 58 -18.558 8.197 7.930 1.00 1.57 C ATOM 890 CG1 VAL A 58 -19.623 8.004 9.018 1.00 2.64 C ATOM 891 CG2 VAL A 58 -19.190 8.416 6.544 1.00 2.22 C ATOM 0 H VAL A 58 -18.253 10.924 7.258 1.00 0.97 H new ATOM 0 HA VAL A 58 -17.203 9.136 9.334 1.00 1.33 H new ATOM 0 HB VAL A 58 -17.989 7.270 7.862 1.00 1.57 H new ATOM 0 HG11 VAL A 58 -20.318 7.222 8.712 1.00 2.64 H new ATOM 0 HG12 VAL A 58 -19.141 7.716 9.952 1.00 2.64 H new ATOM 0 HG13 VAL A 58 -20.168 8.937 9.163 1.00 2.64 H new ATOM 0 HG21 VAL A 58 -19.895 7.611 6.334 1.00 2.22 H new ATOM 0 HG22 VAL A 58 -19.715 9.371 6.530 1.00 2.22 H new ATOM 0 HG23 VAL A 58 -18.408 8.421 5.784 1.00 2.22 H new ATOM 901 N MET A 59 -15.670 8.075 7.243 1.00 1.21 N ATOM 902 CA MET A 59 -14.676 7.824 6.188 1.00 1.01 C ATOM 903 C MET A 59 -15.227 7.046 4.985 1.00 0.88 C ATOM 904 O MET A 59 -16.325 6.480 5.000 1.00 0.97 O ATOM 905 CB MET A 59 -13.418 7.156 6.767 1.00 1.12 C ATOM 906 CG MET A 59 -12.653 8.151 7.646 1.00 1.34 C ATOM 907 SD MET A 59 -10.948 7.647 7.979 1.00 2.98 S ATOM 908 CE MET A 59 -10.078 8.873 6.971 1.00 4.46 C ATOM 0 H MET A 59 -15.812 7.284 7.872 1.00 1.21 H new ATOM 0 HA MET A 59 -14.401 8.803 5.794 1.00 1.01 H new ATOM 0 HB2 MET A 59 -13.698 6.281 7.353 1.00 1.12 H new ATOM 0 HB3 MET A 59 -12.777 6.806 5.958 1.00 1.12 H new ATOM 0 HG2 MET A 59 -12.648 9.126 7.159 1.00 1.34 H new ATOM 0 HG3 MET A 59 -13.181 8.270 8.592 1.00 1.34 H new ATOM 0 HE1 MET A 59 -9.002 8.749 7.096 1.00 4.46 H new ATOM 0 HE2 MET A 59 -10.340 8.734 5.922 1.00 4.46 H new ATOM 0 HE3 MET A 59 -10.367 9.875 7.287 1.00 4.46 H new ATOM 918 N GLY A 60 -14.449 7.052 3.903 1.00 0.78 N ATOM 919 CA GLY A 60 -14.613 6.249 2.695 1.00 0.74 C ATOM 920 C GLY A 60 -13.270 5.702 2.212 1.00 0.62 C ATOM 921 O GLY A 60 -12.231 5.957 2.815 1.00 0.59 O ATOM 0 H GLY A 60 -13.632 7.660 3.845 1.00 0.78 H new ATOM 0 HA2 GLY A 60 -15.296 5.423 2.894 1.00 0.74 H new ATOM 0 HA3 GLY A 60 -15.066 6.855 1.910 1.00 0.74 H new ATOM 925 N MET A 61 -13.299 4.953 1.111 1.00 0.63 N ATOM 926 CA MET A 61 -12.143 4.349 0.439 1.00 0.54 C ATOM 927 C MET A 61 -12.448 4.262 -1.061 1.00 0.59 C ATOM 928 O MET A 61 -13.607 4.069 -1.440 1.00 0.71 O ATOM 929 CB MET A 61 -11.881 2.979 1.087 1.00 0.57 C ATOM 930 CG MET A 61 -10.906 2.052 0.345 1.00 0.58 C ATOM 931 SD MET A 61 -10.807 0.319 0.926 1.00 0.55 S ATOM 932 CE MET A 61 -11.238 0.471 2.682 1.00 1.16 C ATOM 0 H MET A 61 -14.176 4.738 0.636 1.00 0.63 H new ATOM 0 HA MET A 61 -11.236 4.944 0.549 1.00 0.54 H new ATOM 0 HB2 MET A 61 -11.497 3.144 2.094 1.00 0.57 H new ATOM 0 HB3 MET A 61 -12.835 2.461 1.190 1.00 0.57 H new ATOM 0 HG2 MET A 61 -11.184 2.041 -0.709 1.00 0.58 H new ATOM 0 HG3 MET A 61 -9.909 2.488 0.407 1.00 0.58 H new ATOM 0 HE1 MET A 61 -11.094 -0.490 3.177 1.00 1.16 H new ATOM 0 HE2 MET A 61 -10.599 1.220 3.150 1.00 1.16 H new ATOM 0 HE3 MET A 61 -12.281 0.774 2.776 1.00 1.16 H new ATOM 942 N ARG A 62 -11.436 4.426 -1.914 1.00 0.55 N ATOM 943 CA ARG A 62 -11.543 4.425 -3.385 1.00 0.62 C ATOM 944 C ARG A 62 -10.278 3.790 -3.993 1.00 0.45 C ATOM 945 O ARG A 62 -9.211 3.940 -3.402 1.00 0.45 O ATOM 946 CB ARG A 62 -11.682 5.879 -3.898 1.00 1.00 C ATOM 947 CG ARG A 62 -13.124 6.414 -4.015 1.00 1.15 C ATOM 948 CD ARG A 62 -13.538 6.735 -5.459 1.00 1.68 C ATOM 949 NE ARG A 62 -14.001 5.535 -6.185 1.00 3.95 N ATOM 950 CZ ARG A 62 -14.387 5.480 -7.457 1.00 5.35 C ATOM 951 NH1 ARG A 62 -14.324 6.540 -8.243 1.00 4.76 N ATOM 952 NH2 ARG A 62 -14.866 4.359 -7.965 1.00 7.58 N ATOM 0 H ARG A 62 -10.479 4.569 -1.593 1.00 0.55 H new ATOM 0 HA ARG A 62 -12.420 3.849 -3.681 1.00 0.62 H new ATOM 0 HB2 ARG A 62 -11.124 6.535 -3.230 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -11.209 5.945 -4.878 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -13.812 5.676 -3.603 1.00 1.15 H new ATOM 0 HG3 ARG A 62 -13.220 7.314 -3.408 1.00 1.15 H new ATOM 0 HD2 ARG A 62 -14.332 7.482 -5.450 1.00 1.68 H new ATOM 0 HD3 ARG A 62 -12.693 7.175 -5.989 1.00 1.68 H new ATOM 0 HE ARG A 62 -14.027 4.662 -5.659 1.00 3.95 H new ATOM 0 HH11 ARG A 62 -13.973 7.426 -7.878 1.00 4.76 H new ATOM 0 HH12 ARG A 62 -14.626 6.473 -9.215 1.00 4.76 H new ATOM 0 HH21 ARG A 62 -14.942 3.526 -7.381 1.00 7.58 H new ATOM 0 HH22 ARG A 62 -15.160 4.326 -8.941 1.00 7.58 H new ATOM 966 N PRO A 63 -10.350 3.089 -5.142 1.00 0.44 N ATOM 967 CA PRO A 63 -9.166 2.695 -5.895 1.00 0.45 C ATOM 968 C PRO A 63 -8.637 3.880 -6.710 1.00 0.46 C ATOM 969 O PRO A 63 -9.420 4.738 -7.116 1.00 0.53 O ATOM 970 CB PRO A 63 -9.618 1.540 -6.780 1.00 0.58 C ATOM 971 CG PRO A 63 -11.069 1.914 -7.097 1.00 0.57 C ATOM 972 CD PRO A 63 -11.548 2.606 -5.815 1.00 0.50 C ATOM 0 HA PRO A 63 -8.342 2.387 -5.252 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.013 1.460 -7.683 1.00 0.58 H new ATOM 0 HB3 PRO A 63 -9.549 0.582 -6.264 1.00 0.58 H new ATOM 0 HG2 PRO A 63 -11.133 2.577 -7.959 1.00 0.57 H new ATOM 0 HG3 PRO A 63 -11.670 1.034 -7.327 1.00 0.57 H new ATOM 0 HD2 PRO A 63 -12.223 3.430 -6.046 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -12.098 1.912 -5.180 1.00 0.50 H new ATOM 980 N VAL A 64 -7.321 3.921 -6.942 1.00 0.47 N ATOM 981 CA VAL A 64 -6.610 5.054 -7.573 1.00 0.46 C ATOM 982 C VAL A 64 -5.538 4.556 -8.568 1.00 0.47 C ATOM 983 O VAL A 64 -5.101 3.410 -8.443 1.00 0.49 O ATOM 984 CB VAL A 64 -5.997 6.002 -6.509 1.00 0.44 C ATOM 985 CG1 VAL A 64 -7.078 6.632 -5.625 1.00 0.59 C ATOM 986 CG2 VAL A 64 -4.943 5.328 -5.623 1.00 0.60 C ATOM 0 H VAL A 64 -6.699 3.152 -6.693 1.00 0.47 H new ATOM 0 HA VAL A 64 -7.343 5.629 -8.138 1.00 0.46 H new ATOM 0 HB VAL A 64 -5.493 6.781 -7.081 1.00 0.44 H new ATOM 0 HG11 VAL A 64 -6.611 7.290 -4.892 1.00 0.59 H new ATOM 0 HG12 VAL A 64 -7.764 7.209 -6.245 1.00 0.59 H new ATOM 0 HG13 VAL A 64 -7.629 5.846 -5.108 1.00 0.59 H new ATOM 0 HG21 VAL A 64 -4.558 6.050 -4.903 1.00 0.60 H new ATOM 0 HG22 VAL A 64 -5.396 4.491 -5.091 1.00 0.60 H new ATOM 0 HG23 VAL A 64 -4.125 4.963 -6.244 1.00 0.60 H new ATOM 996 N PRO A 65 -5.125 5.362 -9.575 1.00 0.50 N ATOM 997 CA PRO A 65 -4.351 4.878 -10.723 1.00 0.52 C ATOM 998 C PRO A 65 -2.841 4.815 -10.466 1.00 0.49 C ATOM 999 O PRO A 65 -2.160 4.053 -11.146 1.00 0.48 O ATOM 1000 CB PRO A 65 -4.684 5.854 -11.853 1.00 0.56 C ATOM 1001 CG PRO A 65 -4.881 7.179 -11.121 1.00 0.55 C ATOM 1002 CD PRO A 65 -5.510 6.752 -9.796 1.00 0.51 C ATOM 0 HA PRO A 65 -4.617 3.848 -10.958 1.00 0.52 H new ATOM 0 HB2 PRO A 65 -3.878 5.914 -12.584 1.00 0.56 H new ATOM 0 HB3 PRO A 65 -5.582 5.554 -12.393 1.00 0.56 H new ATOM 0 HG2 PRO A 65 -3.936 7.700 -10.969 1.00 0.55 H new ATOM 0 HG3 PRO A 65 -5.531 7.854 -11.677 1.00 0.55 H new ATOM 0 HD2 PRO A 65 -5.160 7.384 -8.980 1.00 0.51 H new ATOM 0 HD3 PRO A 65 -6.595 6.851 -9.833 1.00 0.51 H new ATOM 1010 N PHE A 66 -2.333 5.598 -9.507 1.00 0.47 N ATOM 1011 CA PHE A 66 -0.925 5.677 -9.102 1.00 0.44 C ATOM 1012 C PHE A 66 -0.728 6.673 -7.952 1.00 0.43 C ATOM 1013 O PHE A 66 -1.545 7.570 -7.746 1.00 0.46 O ATOM 1014 CB PHE A 66 -0.008 6.069 -10.275 1.00 0.46 C ATOM 1015 CG PHE A 66 -0.304 7.437 -10.848 1.00 0.49 C ATOM 1016 CD1 PHE A 66 0.270 8.573 -10.252 1.00 1.64 C ATOM 1017 CD2 PHE A 66 -1.209 7.585 -11.914 1.00 1.71 C ATOM 1018 CE1 PHE A 66 -0.081 9.857 -10.687 1.00 1.61 C ATOM 1019 CE2 PHE A 66 -1.536 8.872 -12.379 1.00 1.77 C ATOM 1020 CZ PHE A 66 -0.978 10.010 -11.761 1.00 0.56 C ATOM 0 H PHE A 66 -2.925 6.227 -8.964 1.00 0.47 H new ATOM 0 HA PHE A 66 -0.648 4.679 -8.763 1.00 0.44 H new ATOM 0 HB2 PHE A 66 1.029 6.042 -9.939 1.00 0.46 H new ATOM 0 HB3 PHE A 66 -0.106 5.325 -11.065 1.00 0.46 H new ATOM 0 HD1 PHE A 66 0.987 8.455 -9.453 1.00 1.64 H new ATOM 0 HD2 PHE A 66 -1.651 6.714 -12.374 1.00 1.71 H new ATOM 0 HE1 PHE A 66 0.335 10.727 -10.200 1.00 1.61 H new ATOM 0 HE2 PHE A 66 -2.215 8.988 -13.210 1.00 1.77 H new ATOM 0 HZ PHE A 66 -1.239 10.998 -12.111 1.00 0.56 H new ATOM 1030 N LEU A 67 0.418 6.568 -7.275 1.00 0.43 N ATOM 1031 CA LEU A 67 0.969 7.612 -6.404 1.00 0.44 C ATOM 1032 C LEU A 67 2.187 8.263 -7.063 1.00 0.46 C ATOM 1033 O LEU A 67 2.909 7.607 -7.810 1.00 0.48 O ATOM 1034 CB LEU A 67 1.399 7.025 -5.045 1.00 0.45 C ATOM 1035 CG LEU A 67 0.347 6.215 -4.267 1.00 0.44 C ATOM 1036 CD1 LEU A 67 0.811 6.021 -2.821 1.00 0.51 C ATOM 1037 CD2 LEU A 67 -1.046 6.850 -4.233 1.00 0.46 C ATOM 0 H LEU A 67 1.004 5.734 -7.318 1.00 0.43 H new ATOM 0 HA LEU A 67 0.189 8.356 -6.245 1.00 0.44 H new ATOM 0 HB2 LEU A 67 2.264 6.383 -5.212 1.00 0.45 H new ATOM 0 HB3 LEU A 67 1.730 7.847 -4.411 1.00 0.45 H new ATOM 0 HG LEU A 67 0.258 5.270 -4.802 1.00 0.44 H new ATOM 0 HD11 LEU A 67 0.064 5.447 -2.273 1.00 0.51 H new ATOM 0 HD12 LEU A 67 1.759 5.484 -2.812 1.00 0.51 H new ATOM 0 HD13 LEU A 67 0.941 6.994 -2.347 1.00 0.51 H new ATOM 0 HD21 LEU A 67 -1.723 6.212 -3.664 1.00 0.46 H new ATOM 0 HD22 LEU A 67 -0.988 7.830 -3.760 1.00 0.46 H new ATOM 0 HD23 LEU A 67 -1.421 6.960 -5.251 1.00 0.46 H new ATOM 1049 N GLU A 68 2.428 9.535 -6.761 1.00 0.49 N ATOM 1050 CA GLU A 68 3.615 10.278 -7.191 1.00 0.56 C ATOM 1051 C GLU A 68 4.494 10.518 -5.962 1.00 0.63 C ATOM 1052 O GLU A 68 3.967 10.823 -4.894 1.00 0.70 O ATOM 1053 CB GLU A 68 3.193 11.632 -7.786 1.00 0.65 C ATOM 1054 CG GLU A 68 4.360 12.467 -8.350 1.00 0.72 C ATOM 1055 CD GLU A 68 4.745 12.064 -9.778 1.00 0.80 C ATOM 1056 OE1 GLU A 68 4.609 10.877 -10.142 1.00 2.10 O ATOM 1057 OE2 GLU A 68 5.102 12.949 -10.584 1.00 1.88 O ATOM 0 H GLU A 68 1.789 10.095 -6.196 1.00 0.49 H new ATOM 0 HA GLU A 68 4.159 9.713 -7.948 1.00 0.56 H new ATOM 0 HB2 GLU A 68 2.469 11.456 -8.582 1.00 0.65 H new ATOM 0 HB3 GLU A 68 2.685 12.212 -7.015 1.00 0.65 H new ATOM 0 HG2 GLU A 68 4.085 13.522 -8.337 1.00 0.72 H new ATOM 0 HG3 GLU A 68 5.228 12.356 -7.700 1.00 0.72 H new ATOM 1064 N VAL A 69 5.817 10.453 -6.122 1.00 0.68 N ATOM 1065 CA VAL A 69 6.763 10.954 -5.119 1.00 0.73 C ATOM 1066 C VAL A 69 7.885 11.778 -5.777 1.00 0.72 C ATOM 1067 O VAL A 69 8.595 11.249 -6.637 1.00 0.75 O ATOM 1068 CB VAL A 69 7.346 9.810 -4.249 1.00 0.77 C ATOM 1069 CG1 VAL A 69 8.227 10.360 -3.113 1.00 0.84 C ATOM 1070 CG2 VAL A 69 6.262 8.917 -3.621 1.00 0.85 C ATOM 0 H VAL A 69 6.263 10.053 -6.947 1.00 0.68 H new ATOM 0 HA VAL A 69 6.206 11.613 -4.453 1.00 0.73 H new ATOM 0 HB VAL A 69 7.941 9.207 -4.935 1.00 0.77 H new ATOM 0 HG11 VAL A 69 8.619 9.532 -2.523 1.00 0.84 H new ATOM 0 HG12 VAL A 69 9.055 10.928 -3.537 1.00 0.84 H new ATOM 0 HG13 VAL A 69 7.631 11.011 -2.473 1.00 0.84 H new ATOM 0 HG21 VAL A 69 6.734 8.136 -3.025 1.00 0.85 H new ATOM 0 HG22 VAL A 69 5.618 9.521 -2.983 1.00 0.85 H new ATOM 0 HG23 VAL A 69 5.665 8.460 -4.410 1.00 0.85 H new ATOM 1080 N PRO A 70 8.076 13.057 -5.385 1.00 0.78 N ATOM 1081 CA PRO A 70 9.100 13.932 -5.954 1.00 0.83 C ATOM 1082 C PRO A 70 10.510 13.473 -5.548 1.00 0.81 C ATOM 1083 O PRO A 70 10.643 12.725 -4.578 1.00 0.82 O ATOM 1084 CB PRO A 70 8.778 15.333 -5.419 1.00 0.94 C ATOM 1085 CG PRO A 70 8.127 15.048 -4.069 1.00 0.93 C ATOM 1086 CD PRO A 70 7.346 13.767 -4.340 1.00 0.85 C ATOM 0 HA PRO A 70 9.093 13.914 -7.044 1.00 0.83 H new ATOM 0 HB2 PRO A 70 9.677 15.940 -5.313 1.00 0.94 H new ATOM 0 HB3 PRO A 70 8.105 15.874 -6.085 1.00 0.94 H new ATOM 0 HG2 PRO A 70 8.869 14.912 -3.282 1.00 0.93 H new ATOM 0 HG3 PRO A 70 7.474 15.862 -3.754 1.00 0.93 H new ATOM 0 HD2 PRO A 70 7.269 13.160 -3.438 1.00 0.85 H new ATOM 0 HD3 PRO A 70 6.329 13.992 -4.660 1.00 0.85 H new ATOM 1094 N PRO A 71 11.567 13.908 -6.261 1.00 0.84 N ATOM 1095 CA PRO A 71 12.946 13.514 -5.978 1.00 0.84 C ATOM 1096 C PRO A 71 13.380 13.890 -4.564 1.00 0.89 C ATOM 1097 O PRO A 71 13.032 14.962 -4.071 1.00 0.98 O ATOM 1098 CB PRO A 71 13.795 14.185 -7.054 1.00 0.90 C ATOM 1099 CG PRO A 71 12.940 15.335 -7.575 1.00 0.94 C ATOM 1100 CD PRO A 71 11.523 14.803 -7.408 1.00 0.91 C ATOM 0 HA PRO A 71 13.062 12.431 -6.010 1.00 0.84 H new ATOM 0 HB2 PRO A 71 14.737 14.549 -6.643 1.00 0.90 H new ATOM 0 HB3 PRO A 71 14.044 13.486 -7.852 1.00 0.90 H new ATOM 0 HG2 PRO A 71 13.099 16.249 -7.003 1.00 0.94 H new ATOM 0 HG3 PRO A 71 13.165 15.567 -8.616 1.00 0.94 H new ATOM 0 HD2 PRO A 71 10.817 15.617 -7.242 1.00 0.91 H new ATOM 0 HD3 PRO A 71 11.196 14.275 -8.304 1.00 0.91 H new ATOM 1108 N LYS A 72 14.106 12.980 -3.899 1.00 0.89 N ATOM 1109 CA LYS A 72 14.614 13.111 -2.517 1.00 1.00 C ATOM 1110 C LYS A 72 13.510 13.120 -1.438 1.00 1.09 C ATOM 1111 O LYS A 72 13.813 13.067 -0.246 1.00 1.25 O ATOM 1112 CB LYS A 72 15.563 14.320 -2.388 1.00 1.12 C ATOM 1113 CG LYS A 72 16.579 14.468 -3.535 1.00 1.36 C ATOM 1114 CD LYS A 72 17.508 13.257 -3.732 1.00 1.09 C ATOM 1115 CE LYS A 72 18.270 13.438 -5.048 1.00 1.60 C ATOM 1116 NZ LYS A 72 19.223 12.341 -5.327 1.00 1.68 N ATOM 0 H LYS A 72 14.369 12.091 -4.325 1.00 0.89 H new ATOM 0 HA LYS A 72 15.187 12.205 -2.320 1.00 1.00 H new ATOM 0 HB2 LYS A 72 14.965 15.229 -2.332 1.00 1.12 H new ATOM 0 HB3 LYS A 72 16.108 14.238 -1.447 1.00 1.12 H new ATOM 0 HG2 LYS A 72 16.035 14.646 -4.463 1.00 1.36 H new ATOM 0 HG3 LYS A 72 17.190 15.351 -3.349 1.00 1.36 H new ATOM 0 HD2 LYS A 72 18.206 13.175 -2.899 1.00 1.09 H new ATOM 0 HD3 LYS A 72 16.928 12.334 -3.754 1.00 1.09 H new ATOM 0 HE2 LYS A 72 17.555 13.506 -5.868 1.00 1.60 H new ATOM 0 HE3 LYS A 72 18.813 14.383 -5.019 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 19.169 12.081 -6.333 1.00 1.68 H new ATOM 0 HZ2 LYS A 72 20.189 12.655 -5.102 1.00 1.68 H new ATOM 0 HZ3 LYS A 72 18.982 11.515 -4.743 1.00 1.68 H new ATOM 1130 N GLY A 73 12.233 13.170 -1.834 1.00 1.09 N ATOM 1131 CA GLY A 73 11.079 13.244 -0.930 1.00 1.21 C ATOM 1132 C GLY A 73 10.702 11.889 -0.329 1.00 1.14 C ATOM 1133 O GLY A 73 10.753 10.865 -1.010 1.00 1.18 O ATOM 0 H GLY A 73 11.966 13.160 -2.818 1.00 1.09 H new ATOM 0 HA2 GLY A 73 11.300 13.944 -0.124 1.00 1.21 H new ATOM 0 HA3 GLY A 73 10.224 13.645 -1.474 1.00 1.21 H new ATOM 1137 N ARG A 74 10.280 11.890 0.943 1.00 1.33 N ATOM 1138 CA ARG A 74 9.650 10.761 1.628 1.00 1.38 C ATOM 1139 C ARG A 74 8.137 10.994 1.681 1.00 1.63 C ATOM 1140 O ARG A 74 7.699 12.076 2.054 1.00 2.05 O ATOM 1141 CB ARG A 74 10.294 10.575 3.018 1.00 1.90 C ATOM 1142 CG ARG A 74 9.453 9.777 4.031 1.00 1.49 C ATOM 1143 CD ARG A 74 10.194 8.659 4.748 1.00 1.59 C ATOM 1144 NE ARG A 74 9.626 8.358 6.073 1.00 2.19 N ATOM 1145 CZ ARG A 74 9.830 7.241 6.768 1.00 3.00 C ATOM 1146 NH1 ARG A 74 10.602 6.269 6.346 1.00 3.79 N ATOM 1147 NH2 ARG A 74 9.250 7.057 7.932 1.00 3.90 N ATOM 0 H ARG A 74 10.373 12.710 1.543 1.00 1.33 H new ATOM 0 HA ARG A 74 9.812 9.829 1.086 1.00 1.38 H new ATOM 0 HB2 ARG A 74 11.253 10.073 2.892 1.00 1.90 H new ATOM 0 HB3 ARG A 74 10.502 11.559 3.438 1.00 1.90 H new ATOM 0 HG2 ARG A 74 9.060 10.468 4.777 1.00 1.49 H new ATOM 0 HG3 ARG A 74 8.596 9.348 3.511 1.00 1.49 H new ATOM 0 HD2 ARG A 74 10.168 7.759 4.133 1.00 1.59 H new ATOM 0 HD3 ARG A 74 11.242 8.938 4.861 1.00 1.59 H new ATOM 0 HE ARG A 74 9.025 9.066 6.494 1.00 2.19 H new ATOM 0 HH11 ARG A 74 11.078 6.350 5.448 1.00 3.79 H new ATOM 0 HH12 ARG A 74 10.726 5.432 6.916 1.00 3.79 H new ATOM 0 HH21 ARG A 74 8.634 7.775 8.314 1.00 3.90 H new ATOM 0 HH22 ARG A 74 9.415 6.196 8.454 1.00 3.90 H new ATOM 1161 N VAL A 75 7.367 9.966 1.332 1.00 1.62 N ATOM 1162 CA VAL A 75 5.893 9.944 1.282 1.00 2.10 C ATOM 1163 C VAL A 75 5.416 8.528 1.612 1.00 1.69 C ATOM 1164 O VAL A 75 6.057 7.558 1.215 1.00 1.70 O ATOM 1165 CB VAL A 75 5.364 10.366 -0.114 1.00 2.78 C ATOM 1166 CG1 VAL A 75 3.836 10.218 -0.237 1.00 3.33 C ATOM 1167 CG2 VAL A 75 5.724 11.821 -0.466 1.00 3.27 C ATOM 0 H VAL A 75 7.771 9.070 1.059 1.00 1.62 H new ATOM 0 HA VAL A 75 5.506 10.658 2.009 1.00 2.10 H new ATOM 0 HB VAL A 75 5.855 9.687 -0.810 1.00 2.78 H new ATOM 0 HG11 VAL A 75 3.520 10.527 -1.233 1.00 3.33 H new ATOM 0 HG12 VAL A 75 3.557 9.177 -0.074 1.00 3.33 H new ATOM 0 HG13 VAL A 75 3.348 10.845 0.509 1.00 3.33 H new ATOM 0 HG21 VAL A 75 5.330 12.065 -1.453 1.00 3.27 H new ATOM 0 HG22 VAL A 75 5.289 12.493 0.274 1.00 3.27 H new ATOM 0 HG23 VAL A 75 6.808 11.937 -0.469 1.00 3.27 H new ATOM 1177 N GLU A 76 4.320 8.397 2.358 1.00 1.57 N ATOM 1178 CA GLU A 76 3.871 7.131 2.953 1.00 1.22 C ATOM 1179 C GLU A 76 2.438 6.748 2.556 1.00 1.02 C ATOM 1180 O GLU A 76 1.500 7.559 2.622 1.00 1.21 O ATOM 1181 CB GLU A 76 4.006 7.117 4.496 1.00 1.38 C ATOM 1182 CG GLU A 76 4.648 8.339 5.172 1.00 1.97 C ATOM 1183 CD GLU A 76 3.627 9.472 5.195 1.00 2.64 C ATOM 1184 OE1 GLU A 76 3.558 10.245 4.216 1.00 3.51 O ATOM 1185 OE2 GLU A 76 2.735 9.448 6.068 1.00 3.39 O ATOM 0 H GLU A 76 3.704 9.181 2.572 1.00 1.57 H new ATOM 0 HA GLU A 76 4.544 6.380 2.539 1.00 1.22 H new ATOM 0 HB2 GLU A 76 3.009 6.986 4.918 1.00 1.38 H new ATOM 0 HB3 GLU A 76 4.587 6.238 4.773 1.00 1.38 H new ATOM 0 HG2 GLU A 76 4.960 8.090 6.186 1.00 1.97 H new ATOM 0 HG3 GLU A 76 5.542 8.646 4.629 1.00 1.97 H new ATOM 1192 N LEU A 77 2.275 5.456 2.261 1.00 0.75 N ATOM 1193 CA LEU A 77 1.013 4.723 2.274 1.00 0.65 C ATOM 1194 C LEU A 77 0.543 4.541 3.729 1.00 1.02 C ATOM 1195 O LEU A 77 0.658 3.481 4.346 1.00 2.10 O ATOM 1196 CB LEU A 77 1.157 3.393 1.503 1.00 0.63 C ATOM 1197 CG LEU A 77 1.317 3.578 -0.024 1.00 0.69 C ATOM 1198 CD1 LEU A 77 2.771 3.402 -0.490 1.00 0.74 C ATOM 1199 CD2 LEU A 77 0.430 2.578 -0.779 1.00 0.88 C ATOM 0 H LEU A 77 3.062 4.865 1.993 1.00 0.75 H new ATOM 0 HA LEU A 77 0.239 5.289 1.756 1.00 0.65 H new ATOM 0 HB2 LEU A 77 2.021 2.851 1.888 1.00 0.63 H new ATOM 0 HB3 LEU A 77 0.281 2.774 1.696 1.00 0.63 H new ATOM 0 HG LEU A 77 1.011 4.600 -0.246 1.00 0.69 H new ATOM 0 HD11 LEU A 77 2.827 3.542 -1.570 1.00 0.74 H new ATOM 0 HD12 LEU A 77 3.403 4.139 0.005 1.00 0.74 H new ATOM 0 HD13 LEU A 77 3.116 2.400 -0.236 1.00 0.74 H new ATOM 0 HD21 LEU A 77 0.553 2.720 -1.853 1.00 0.88 H new ATOM 0 HD22 LEU A 77 0.719 1.561 -0.512 1.00 0.88 H new ATOM 0 HD23 LEU A 77 -0.613 2.741 -0.509 1.00 0.88 H new ATOM 1211 N LYS A 78 0.062 5.650 4.285 1.00 0.87 N ATOM 1212 CA LYS A 78 -0.491 5.797 5.629 1.00 0.97 C ATOM 1213 C LYS A 78 -1.843 5.054 5.785 1.00 0.85 C ATOM 1214 O LYS A 78 -2.691 5.169 4.901 1.00 0.90 O ATOM 1215 CB LYS A 78 -0.580 7.311 5.934 1.00 1.25 C ATOM 1216 CG LYS A 78 -1.386 8.124 4.891 1.00 1.22 C ATOM 1217 CD LYS A 78 -1.367 9.646 5.102 1.00 1.84 C ATOM 1218 CE LYS A 78 0.033 10.275 5.155 1.00 1.76 C ATOM 1219 NZ LYS A 78 0.855 10.045 3.937 1.00 2.40 N ATOM 0 H LYS A 78 0.047 6.532 3.772 1.00 0.87 H new ATOM 0 HA LYS A 78 0.160 5.325 6.365 1.00 0.97 H new ATOM 0 HB2 LYS A 78 -1.036 7.446 6.915 1.00 1.25 H new ATOM 0 HB3 LYS A 78 0.429 7.718 5.994 1.00 1.25 H new ATOM 0 HG2 LYS A 78 -0.993 7.905 3.898 1.00 1.22 H new ATOM 0 HG3 LYS A 78 -2.421 7.783 4.907 1.00 1.22 H new ATOM 0 HD2 LYS A 78 -1.930 10.117 4.296 1.00 1.84 H new ATOM 0 HD3 LYS A 78 -1.888 9.876 6.032 1.00 1.84 H new ATOM 0 HE2 LYS A 78 -0.070 11.349 5.312 1.00 1.76 H new ATOM 0 HE3 LYS A 78 0.565 9.876 6.019 1.00 1.76 H new ATOM 0 HZ1 LYS A 78 1.770 10.529 4.039 1.00 2.40 H new ATOM 0 HZ2 LYS A 78 1.015 9.025 3.814 1.00 2.40 H new ATOM 0 HZ3 LYS A 78 0.356 10.420 3.105 1.00 2.40 H new ATOM 1233 N PRO A 79 -2.105 4.364 6.916 1.00 1.08 N ATOM 1234 CA PRO A 79 -3.300 3.528 7.074 1.00 1.31 C ATOM 1235 C PRO A 79 -4.617 4.304 7.022 1.00 1.28 C ATOM 1236 O PRO A 79 -5.584 3.805 6.451 1.00 2.26 O ATOM 1237 CB PRO A 79 -3.116 2.790 8.405 1.00 1.74 C ATOM 1238 CG PRO A 79 -2.193 3.717 9.194 1.00 1.71 C ATOM 1239 CD PRO A 79 -1.275 4.276 8.108 1.00 1.43 C ATOM 0 HA PRO A 79 -3.385 2.839 6.234 1.00 1.31 H new ATOM 0 HB2 PRO A 79 -4.067 2.638 8.916 1.00 1.74 H new ATOM 0 HB3 PRO A 79 -2.671 1.806 8.261 1.00 1.74 H new ATOM 0 HG2 PRO A 79 -2.748 4.506 9.701 1.00 1.71 H new ATOM 0 HG3 PRO A 79 -1.634 3.178 9.959 1.00 1.71 H new ATOM 0 HD2 PRO A 79 -0.883 5.254 8.388 1.00 1.43 H new ATOM 0 HD3 PRO A 79 -0.417 3.624 7.943 1.00 1.43 H new ATOM 1247 N GLY A 80 -4.645 5.543 7.532 1.00 0.81 N ATOM 1248 CA GLY A 80 -5.807 6.438 7.418 1.00 0.96 C ATOM 1249 C GLY A 80 -5.952 7.108 6.045 1.00 1.05 C ATOM 1250 O GLY A 80 -6.793 7.987 5.893 1.00 1.85 O ATOM 0 H GLY A 80 -3.860 5.955 8.037 1.00 0.81 H new ATOM 0 HA2 GLY A 80 -6.712 5.869 7.630 1.00 0.96 H new ATOM 0 HA3 GLY A 80 -5.732 7.212 8.182 1.00 0.96 H new ATOM 1254 N GLY A 81 -5.128 6.729 5.063 1.00 0.66 N ATOM 1255 CA GLY A 81 -5.119 7.243 3.692 1.00 0.68 C ATOM 1256 C GLY A 81 -4.717 6.173 2.687 1.00 0.75 C ATOM 1257 O GLY A 81 -5.377 5.142 2.567 1.00 1.56 O ATOM 0 H GLY A 81 -4.412 6.018 5.212 1.00 0.66 H new ATOM 0 HA2 GLY A 81 -6.109 7.624 3.441 1.00 0.68 H new ATOM 0 HA3 GLY A 81 -4.428 8.083 3.624 1.00 0.68 H new ATOM 1261 N TYR A 82 -3.642 6.407 1.930 1.00 0.66 N ATOM 1262 CA TYR A 82 -3.287 5.533 0.809 1.00 0.62 C ATOM 1263 C TYR A 82 -2.710 4.198 1.274 1.00 0.67 C ATOM 1264 O TYR A 82 -1.925 4.124 2.209 1.00 0.80 O ATOM 1265 CB TYR A 82 -2.311 6.227 -0.139 1.00 0.65 C ATOM 1266 CG TYR A 82 -2.938 7.415 -0.833 1.00 0.59 C ATOM 1267 CD1 TYR A 82 -3.605 7.215 -2.050 1.00 1.96 C ATOM 1268 CD2 TYR A 82 -2.949 8.687 -0.227 1.00 1.97 C ATOM 1269 CE1 TYR A 82 -4.303 8.273 -2.656 1.00 2.04 C ATOM 1270 CE2 TYR A 82 -3.688 9.736 -0.810 1.00 1.92 C ATOM 1271 CZ TYR A 82 -4.410 9.520 -2.004 1.00 0.72 C ATOM 1272 OH TYR A 82 -5.262 10.477 -2.467 1.00 1.03 O ATOM 0 H TYR A 82 -3.005 7.191 2.072 1.00 0.66 H new ATOM 0 HA TYR A 82 -4.212 5.322 0.273 1.00 0.62 H new ATOM 0 HB2 TYR A 82 -1.435 6.556 0.420 1.00 0.65 H new ATOM 0 HB3 TYR A 82 -1.963 5.514 -0.886 1.00 0.65 H new ATOM 0 HD1 TYR A 82 -3.582 6.244 -2.523 1.00 1.96 H new ATOM 0 HD2 TYR A 82 -2.392 8.858 0.683 1.00 1.97 H new ATOM 0 HE1 TYR A 82 -4.759 8.131 -3.625 1.00 2.04 H new ATOM 0 HE2 TYR A 82 -3.702 10.709 -0.342 1.00 1.92 H new ATOM 0 HH TYR A 82 -6.029 10.049 -2.903 1.00 1.03 H new ATOM 1282 N HIS A 83 -3.131 3.132 0.614 1.00 0.60 N ATOM 1283 CA HIS A 83 -2.823 1.755 0.995 1.00 0.60 C ATOM 1284 C HIS A 83 -3.012 0.797 -0.192 1.00 0.55 C ATOM 1285 O HIS A 83 -3.874 1.028 -1.042 1.00 0.56 O ATOM 1286 CB HIS A 83 -3.672 1.366 2.213 1.00 0.71 C ATOM 1287 CG HIS A 83 -5.148 1.318 1.948 1.00 0.68 C ATOM 1288 ND1 HIS A 83 -6.033 2.377 1.989 1.00 0.66 N ATOM 1289 CD2 HIS A 83 -5.844 0.218 1.536 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -7.231 1.924 1.590 1.00 0.62 C ATOM 1291 NE2 HIS A 83 -7.166 0.605 1.337 1.00 0.64 N ATOM 0 H HIS A 83 -3.711 3.197 -0.223 1.00 0.60 H new ATOM 0 HA HIS A 83 -1.773 1.678 1.278 1.00 0.60 H new ATOM 0 HB2 HIS A 83 -3.347 0.389 2.570 1.00 0.71 H new ATOM 0 HB3 HIS A 83 -3.482 2.078 3.016 1.00 0.71 H new ATOM 0 HD1 HIS A 83 -5.815 3.332 2.272 1.00 0.66 H new ATOM 0 HD2 HIS A 83 -5.441 -0.774 1.391 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -8.119 2.531 1.487 1.00 0.62 H new ATOM 1299 N PHE A 84 -2.258 -0.304 -0.237 1.00 0.54 N ATOM 1300 CA PHE A 84 -2.483 -1.360 -1.226 1.00 0.55 C ATOM 1301 C PHE A 84 -3.511 -2.358 -0.683 1.00 0.53 C ATOM 1302 O PHE A 84 -3.318 -2.898 0.403 1.00 0.62 O ATOM 1303 CB PHE A 84 -1.171 -2.096 -1.519 1.00 0.62 C ATOM 1304 CG PHE A 84 -0.221 -1.335 -2.413 1.00 0.61 C ATOM 1305 CD1 PHE A 84 -0.503 -1.207 -3.785 1.00 1.47 C ATOM 1306 CD2 PHE A 84 0.945 -0.764 -1.877 1.00 1.95 C ATOM 1307 CE1 PHE A 84 0.387 -0.515 -4.621 1.00 1.51 C ATOM 1308 CE2 PHE A 84 1.833 -0.064 -2.710 1.00 1.95 C ATOM 1309 CZ PHE A 84 1.552 0.061 -4.080 1.00 0.72 C ATOM 0 H PHE A 84 -1.484 -0.487 0.402 1.00 0.54 H new ATOM 0 HA PHE A 84 -2.855 -0.910 -2.146 1.00 0.55 H new ATOM 0 HB2 PHE A 84 -0.670 -2.312 -0.575 1.00 0.62 H new ATOM 0 HB3 PHE A 84 -1.401 -3.054 -1.984 1.00 0.62 H new ATOM 0 HD1 PHE A 84 -1.403 -1.641 -4.195 1.00 1.47 H new ATOM 0 HD2 PHE A 84 1.159 -0.863 -0.823 1.00 1.95 H new ATOM 0 HE1 PHE A 84 0.179 -0.425 -5.677 1.00 1.51 H new ATOM 0 HE2 PHE A 84 2.729 0.377 -2.298 1.00 1.95 H new ATOM 0 HZ PHE A 84 2.232 0.601 -4.721 1.00 0.72 H new ATOM 1319 N MET A 85 -4.562 -2.658 -1.442 1.00 0.49 N ATOM 1320 CA MET A 85 -5.506 -3.756 -1.204 1.00 0.47 C ATOM 1321 C MET A 85 -4.959 -5.049 -1.820 1.00 0.49 C ATOM 1322 O MET A 85 -4.877 -5.173 -3.043 1.00 0.45 O ATOM 1323 CB MET A 85 -6.878 -3.405 -1.784 1.00 0.50 C ATOM 1324 CG MET A 85 -7.997 -3.981 -0.905 1.00 0.61 C ATOM 1325 SD MET A 85 -8.297 -3.038 0.626 1.00 0.82 S ATOM 1326 CE MET A 85 -9.360 -4.216 1.508 1.00 0.64 C ATOM 0 H MET A 85 -4.792 -2.121 -2.278 1.00 0.49 H new ATOM 0 HA MET A 85 -5.624 -3.909 -0.131 1.00 0.47 H new ATOM 0 HB2 MET A 85 -6.983 -2.322 -1.854 1.00 0.50 H new ATOM 0 HB3 MET A 85 -6.963 -3.800 -2.796 1.00 0.50 H new ATOM 0 HG2 MET A 85 -8.919 -4.015 -1.485 1.00 0.61 H new ATOM 0 HG3 MET A 85 -7.747 -5.009 -0.643 1.00 0.61 H new ATOM 0 HE1 MET A 85 -9.642 -3.799 2.475 1.00 0.64 H new ATOM 0 HE2 MET A 85 -10.258 -4.407 0.920 1.00 0.64 H new ATOM 0 HE3 MET A 85 -8.820 -5.151 1.660 1.00 0.64 H new ATOM 1336 N LEU A 86 -4.569 -6.008 -0.984 1.00 0.68 N ATOM 1337 CA LEU A 86 -3.988 -7.288 -1.392 1.00 0.72 C ATOM 1338 C LEU A 86 -5.122 -8.303 -1.574 1.00 0.68 C ATOM 1339 O LEU A 86 -5.821 -8.604 -0.613 1.00 0.66 O ATOM 1340 CB LEU A 86 -3.004 -7.756 -0.304 1.00 0.73 C ATOM 1341 CG LEU A 86 -1.598 -7.121 -0.309 1.00 0.84 C ATOM 1342 CD1 LEU A 86 -1.601 -5.609 -0.057 1.00 1.11 C ATOM 1343 CD2 LEU A 86 -0.751 -7.796 0.778 1.00 1.48 C ATOM 0 H LEU A 86 -4.650 -5.914 0.028 1.00 0.68 H new ATOM 0 HA LEU A 86 -3.447 -7.188 -2.333 1.00 0.72 H new ATOM 0 HB2 LEU A 86 -3.458 -7.565 0.668 1.00 0.73 H new ATOM 0 HB3 LEU A 86 -2.888 -8.836 -0.395 1.00 0.73 H new ATOM 0 HG LEU A 86 -1.187 -7.275 -1.307 1.00 0.84 H new ATOM 0 HD11 LEU A 86 -0.577 -5.235 -0.075 1.00 1.11 H new ATOM 0 HD12 LEU A 86 -2.183 -5.112 -0.833 1.00 1.11 H new ATOM 0 HD13 LEU A 86 -2.045 -5.403 0.917 1.00 1.11 H new ATOM 0 HD21 LEU A 86 0.247 -7.357 0.787 1.00 1.48 H new ATOM 0 HD22 LEU A 86 -1.221 -7.648 1.750 1.00 1.48 H new ATOM 0 HD23 LEU A 86 -0.676 -8.863 0.570 1.00 1.48 H new ATOM 1355 N LEU A 87 -5.337 -8.811 -2.788 1.00 0.75 N ATOM 1356 CA LEU A 87 -6.557 -9.528 -3.164 1.00 0.74 C ATOM 1357 C LEU A 87 -6.264 -10.907 -3.784 1.00 0.68 C ATOM 1358 O LEU A 87 -5.276 -11.108 -4.490 1.00 0.72 O ATOM 1359 CB LEU A 87 -7.358 -8.569 -4.071 1.00 1.12 C ATOM 1360 CG LEU A 87 -8.855 -8.907 -4.234 1.00 0.99 C ATOM 1361 CD1 LEU A 87 -9.686 -7.615 -4.272 1.00 1.53 C ATOM 1362 CD2 LEU A 87 -9.154 -9.728 -5.487 1.00 2.78 C ATOM 0 H LEU A 87 -4.661 -8.735 -3.548 1.00 0.75 H new ATOM 0 HA LEU A 87 -7.158 -9.784 -2.291 1.00 0.74 H new ATOM 0 HB2 LEU A 87 -7.273 -7.560 -3.669 1.00 1.12 H new ATOM 0 HB3 LEU A 87 -6.896 -8.559 -5.058 1.00 1.12 H new ATOM 0 HG LEU A 87 -9.127 -9.516 -3.372 1.00 0.99 H new ATOM 0 HD11 LEU A 87 -10.741 -7.864 -4.387 1.00 1.53 H new ATOM 0 HD12 LEU A 87 -9.543 -7.063 -3.343 1.00 1.53 H new ATOM 0 HD13 LEU A 87 -9.364 -7.000 -5.113 1.00 1.53 H new ATOM 0 HD21 LEU A 87 -10.223 -9.932 -5.542 1.00 2.78 H new ATOM 0 HD22 LEU A 87 -8.845 -9.169 -6.370 1.00 2.78 H new ATOM 0 HD23 LEU A 87 -8.607 -10.670 -5.444 1.00 2.78 H new ATOM 1374 N GLY A 88 -7.116 -11.890 -3.483 1.00 0.71 N ATOM 1375 CA GLY A 88 -6.986 -13.265 -3.993 1.00 0.84 C ATOM 1376 C GLY A 88 -5.863 -14.044 -3.297 1.00 0.92 C ATOM 1377 O GLY A 88 -5.094 -14.742 -3.955 1.00 1.72 O ATOM 0 H GLY A 88 -7.923 -11.757 -2.874 1.00 0.71 H new ATOM 0 HA2 GLY A 88 -7.930 -13.792 -3.854 1.00 0.84 H new ATOM 0 HA3 GLY A 88 -6.793 -13.235 -5.065 1.00 0.84 H new ATOM 1381 N LEU A 89 -5.719 -13.834 -1.985 1.00 0.56 N ATOM 1382 CA LEU A 89 -4.627 -14.296 -1.129 1.00 0.55 C ATOM 1383 C LEU A 89 -4.170 -15.751 -1.274 1.00 0.58 C ATOM 1384 O LEU A 89 -4.921 -16.658 -1.624 1.00 0.71 O ATOM 1385 CB LEU A 89 -4.934 -14.095 0.356 1.00 0.60 C ATOM 1386 CG LEU A 89 -5.593 -12.791 0.827 1.00 0.62 C ATOM 1387 CD1 LEU A 89 -5.716 -12.914 2.346 1.00 0.76 C ATOM 1388 CD2 LEU A 89 -4.787 -11.547 0.443 1.00 0.55 C ATOM 0 H LEU A 89 -6.411 -13.300 -1.459 1.00 0.56 H new ATOM 0 HA LEU A 89 -3.815 -13.667 -1.493 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -5.578 -14.917 0.670 1.00 0.60 H new ATOM 0 HB3 LEU A 89 -3.995 -14.200 0.900 1.00 0.60 H new ATOM 0 HG LEU A 89 -6.562 -12.661 0.345 1.00 0.62 H new ATOM 0 HD11 LEU A 89 -6.180 -12.013 2.748 1.00 0.76 H new ATOM 0 HD12 LEU A 89 -6.331 -13.780 2.592 1.00 0.76 H new ATOM 0 HD13 LEU A 89 -4.725 -13.037 2.783 1.00 0.76 H new ATOM 0 HD21 LEU A 89 -5.301 -10.655 0.802 1.00 0.55 H new ATOM 0 HD22 LEU A 89 -3.797 -11.601 0.895 1.00 0.55 H new ATOM 0 HD23 LEU A 89 -4.689 -11.497 -0.641 1.00 0.55 H new ATOM 1400 N LYS A 90 -2.898 -15.952 -0.917 1.00 0.58 N ATOM 1401 CA LYS A 90 -2.176 -17.235 -1.027 1.00 0.61 C ATOM 1402 C LYS A 90 -1.674 -17.782 0.322 1.00 0.68 C ATOM 1403 O LYS A 90 -1.452 -18.984 0.510 1.00 0.77 O ATOM 1404 CB LYS A 90 -0.998 -17.073 -1.987 1.00 0.65 C ATOM 1405 CG LYS A 90 -1.269 -16.292 -3.295 1.00 0.70 C ATOM 1406 CD LYS A 90 -2.420 -16.931 -4.070 1.00 1.21 C ATOM 1407 CE LYS A 90 -2.751 -16.308 -5.431 1.00 1.35 C ATOM 1408 NZ LYS A 90 -4.141 -16.647 -5.841 1.00 2.24 N ATOM 0 H LYS A 90 -2.319 -15.206 -0.531 1.00 0.58 H new ATOM 0 HA LYS A 90 -2.891 -17.965 -1.407 1.00 0.61 H new ATOM 0 HB2 LYS A 90 -0.190 -16.572 -1.453 1.00 0.65 H new ATOM 0 HB3 LYS A 90 -0.637 -18.066 -2.253 1.00 0.65 H new ATOM 0 HG2 LYS A 90 -1.510 -15.255 -3.063 1.00 0.70 H new ATOM 0 HG3 LYS A 90 -0.370 -16.280 -3.911 1.00 0.70 H new ATOM 0 HD2 LYS A 90 -2.186 -17.984 -4.224 1.00 1.21 H new ATOM 0 HD3 LYS A 90 -3.315 -16.891 -3.449 1.00 1.21 H new ATOM 0 HE2 LYS A 90 -2.636 -15.225 -5.379 1.00 1.35 H new ATOM 0 HE3 LYS A 90 -2.047 -16.667 -6.182 1.00 1.35 H new ATOM 0 HZ1 LYS A 90 -4.312 -16.303 -6.807 1.00 2.24 H new ATOM 0 HZ2 LYS A 90 -4.269 -17.679 -5.813 1.00 2.24 H new ATOM 0 HZ3 LYS A 90 -4.815 -16.197 -5.189 1.00 2.24 H new ATOM 1422 N ARG A 91 -1.483 -16.868 1.268 1.00 0.73 N ATOM 1423 CA ARG A 91 -1.470 -17.082 2.708 1.00 0.90 C ATOM 1424 C ARG A 91 -2.484 -16.115 3.341 1.00 1.02 C ATOM 1425 O ARG A 91 -2.631 -15.014 2.806 1.00 1.05 O ATOM 1426 CB ARG A 91 -0.079 -16.749 3.259 1.00 1.00 C ATOM 1427 CG ARG A 91 1.030 -17.716 2.814 1.00 1.23 C ATOM 1428 CD ARG A 91 0.820 -19.132 3.361 1.00 2.40 C ATOM 1429 NE ARG A 91 1.878 -20.045 2.894 1.00 3.49 N ATOM 1430 CZ ARG A 91 1.861 -20.786 1.790 1.00 4.85 C ATOM 1431 NH1 ARG A 91 0.843 -20.784 0.949 1.00 5.47 N ATOM 1432 NH2 ARG A 91 2.892 -21.556 1.510 1.00 6.11 N ATOM 0 H ARG A 91 -1.322 -15.889 1.030 1.00 0.73 H new ATOM 0 HA ARG A 91 -1.719 -18.118 2.935 1.00 0.90 H new ATOM 0 HB2 ARG A 91 0.190 -15.740 2.947 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -0.125 -16.745 4.348 1.00 1.00 H new ATOM 0 HG2 ARG A 91 1.064 -17.751 1.725 1.00 1.23 H new ATOM 0 HG3 ARG A 91 1.995 -17.338 3.151 1.00 1.23 H new ATOM 0 HD2 ARG A 91 0.813 -19.107 4.451 1.00 2.40 H new ATOM 0 HD3 ARG A 91 -0.153 -19.507 3.044 1.00 2.40 H new ATOM 0 HE ARG A 91 2.711 -20.116 3.479 1.00 3.49 H new ATOM 0 HH11 ARG A 91 0.029 -20.198 1.135 1.00 5.47 H new ATOM 0 HH12 ARG A 91 0.871 -21.368 0.113 1.00 5.47 H new ATOM 0 HH21 ARG A 91 3.695 -21.581 2.138 1.00 6.11 H new ATOM 0 HH22 ARG A 91 2.887 -22.128 0.665 1.00 6.11 H new ATOM 1446 N PRO A 92 -3.147 -16.485 4.453 1.00 1.26 N ATOM 1447 CA PRO A 92 -3.882 -15.529 5.264 1.00 1.55 C ATOM 1448 C PRO A 92 -2.877 -14.570 5.904 1.00 1.82 C ATOM 1449 O PRO A 92 -1.781 -14.977 6.287 1.00 2.08 O ATOM 1450 CB PRO A 92 -4.621 -16.368 6.310 1.00 1.76 C ATOM 1451 CG PRO A 92 -3.708 -17.579 6.500 1.00 1.78 C ATOM 1452 CD PRO A 92 -3.109 -17.787 5.108 1.00 1.41 C ATOM 0 HA PRO A 92 -4.591 -14.926 4.697 1.00 1.55 H new ATOM 0 HB2 PRO A 92 -4.759 -15.819 7.241 1.00 1.76 H new ATOM 0 HB3 PRO A 92 -5.612 -16.662 5.963 1.00 1.76 H new ATOM 0 HG2 PRO A 92 -2.936 -17.388 7.246 1.00 1.78 H new ATOM 0 HG3 PRO A 92 -4.265 -18.455 6.834 1.00 1.78 H new ATOM 0 HD2 PRO A 92 -2.087 -18.160 5.175 1.00 1.41 H new ATOM 0 HD3 PRO A 92 -3.681 -18.524 4.544 1.00 1.41 H new ATOM 1460 N LEU A 93 -3.267 -13.305 6.047 1.00 1.97 N ATOM 1461 CA LEU A 93 -2.522 -12.305 6.800 1.00 2.25 C ATOM 1462 C LEU A 93 -2.850 -12.493 8.288 1.00 2.03 C ATOM 1463 O LEU A 93 -3.634 -11.741 8.870 1.00 2.44 O ATOM 1464 CB LEU A 93 -2.844 -10.887 6.271 1.00 2.74 C ATOM 1465 CG LEU A 93 -2.300 -10.495 4.880 1.00 2.24 C ATOM 1466 CD1 LEU A 93 -0.772 -10.545 4.792 1.00 2.22 C ATOM 1467 CD2 LEU A 93 -2.899 -11.286 3.715 1.00 2.06 C ATOM 0 H LEU A 93 -4.126 -12.942 5.634 1.00 1.97 H new ATOM 0 HA LEU A 93 -1.447 -12.429 6.673 1.00 2.25 H new ATOM 0 HB2 LEU A 93 -3.928 -10.776 6.250 1.00 2.74 H new ATOM 0 HB3 LEU A 93 -2.464 -10.166 6.994 1.00 2.74 H new ATOM 0 HG LEU A 93 -2.627 -9.461 4.774 1.00 2.24 H new ATOM 0 HD11 LEU A 93 -0.456 -10.259 3.789 1.00 2.22 H new ATOM 0 HD12 LEU A 93 -0.343 -9.855 5.519 1.00 2.22 H new ATOM 0 HD13 LEU A 93 -0.428 -11.557 5.006 1.00 2.22 H new ATOM 0 HD21 LEU A 93 -2.459 -10.944 2.778 1.00 2.06 H new ATOM 0 HD22 LEU A 93 -2.688 -12.347 3.849 1.00 2.06 H new ATOM 0 HD23 LEU A 93 -3.978 -11.132 3.687 1.00 2.06 H new ATOM 1479 N LYS A 94 -2.264 -13.531 8.891 1.00 1.88 N ATOM 1480 CA LYS A 94 -2.284 -13.774 10.336 1.00 1.80 C ATOM 1481 C LYS A 94 -1.110 -13.083 11.043 1.00 1.51 C ATOM 1482 O LYS A 94 -0.131 -12.699 10.417 1.00 1.81 O ATOM 1483 CB LYS A 94 -2.329 -15.288 10.618 1.00 2.44 C ATOM 1484 CG LYS A 94 -1.077 -16.067 10.167 1.00 1.98 C ATOM 1485 CD LYS A 94 -1.196 -17.537 10.596 1.00 2.40 C ATOM 1486 CE LYS A 94 -0.084 -18.429 10.024 1.00 2.87 C ATOM 1487 NZ LYS A 94 1.250 -18.158 10.609 1.00 3.30 N ATOM 0 H LYS A 94 -1.749 -14.244 8.374 1.00 1.88 H new ATOM 0 HA LYS A 94 -3.190 -13.331 10.750 1.00 1.80 H new ATOM 0 HB2 LYS A 94 -2.468 -15.440 11.688 1.00 2.44 H new ATOM 0 HB3 LYS A 94 -3.202 -15.710 10.120 1.00 2.44 H new ATOM 0 HG2 LYS A 94 -0.968 -16.002 9.084 1.00 1.98 H new ATOM 0 HG3 LYS A 94 -0.183 -15.622 10.605 1.00 1.98 H new ATOM 0 HD2 LYS A 94 -1.174 -17.594 11.684 1.00 2.40 H new ATOM 0 HD3 LYS A 94 -2.163 -17.924 10.276 1.00 2.40 H new ATOM 0 HE2 LYS A 94 -0.342 -19.474 10.197 1.00 2.87 H new ATOM 0 HE3 LYS A 94 -0.034 -18.287 8.944 1.00 2.87 H new ATOM 0 HZ1 LYS A 94 1.975 -18.681 10.077 1.00 3.30 H new ATOM 0 HZ2 LYS A 94 1.451 -17.139 10.558 1.00 3.30 H new ATOM 0 HZ3 LYS A 94 1.262 -18.464 11.603 1.00 3.30 H new ATOM 1501 N ALA A 95 -1.177 -12.967 12.370 1.00 1.54 N ATOM 1502 CA ALA A 95 -0.106 -12.395 13.168 1.00 1.66 C ATOM 1503 C ALA A 95 1.179 -13.223 13.054 1.00 1.86 C ATOM 1504 O ALA A 95 1.159 -14.445 13.230 1.00 2.10 O ATOM 1505 CB ALA A 95 -0.579 -12.312 14.623 1.00 2.05 C ATOM 0 H ALA A 95 -1.982 -13.270 12.918 1.00 1.54 H new ATOM 0 HA ALA A 95 0.129 -11.397 12.798 1.00 1.66 H new ATOM 0 HB1 ALA A 95 0.212 -11.885 15.239 1.00 2.05 H new ATOM 0 HB2 ALA A 95 -1.466 -11.681 14.682 1.00 2.05 H new ATOM 0 HB3 ALA A 95 -0.820 -13.312 14.985 1.00 2.05 H new ATOM 1511 N GLY A 96 2.279 -12.517 12.814 1.00 1.81 N ATOM 1512 CA GLY A 96 3.644 -13.044 12.878 1.00 1.90 C ATOM 1513 C GLY A 96 4.258 -13.459 11.543 1.00 1.75 C ATOM 1514 O GLY A 96 5.401 -13.904 11.565 1.00 1.80 O ATOM 0 H GLY A 96 2.247 -11.529 12.561 1.00 1.81 H new ATOM 0 HA2 GLY A 96 4.285 -12.288 13.332 1.00 1.90 H new ATOM 0 HA3 GLY A 96 3.649 -13.907 13.543 1.00 1.90 H new ATOM 1518 N GLU A 97 3.560 -13.302 10.412 1.00 1.73 N ATOM 1519 CA GLU A 97 4.174 -13.475 9.094 1.00 1.69 C ATOM 1520 C GLU A 97 5.034 -12.242 8.736 1.00 1.42 C ATOM 1521 O GLU A 97 4.907 -11.170 9.335 1.00 1.36 O ATOM 1522 CB GLU A 97 3.144 -13.734 7.968 1.00 1.68 C ATOM 1523 CG GLU A 97 1.899 -14.579 8.263 1.00 2.10 C ATOM 1524 CD GLU A 97 2.184 -16.030 8.628 1.00 1.45 C ATOM 1525 OE1 GLU A 97 2.819 -16.266 9.675 1.00 1.98 O ATOM 1526 OE2 GLU A 97 1.618 -16.944 7.989 1.00 2.39 O ATOM 0 H GLU A 97 2.571 -13.056 10.385 1.00 1.73 H new ATOM 0 HA GLU A 97 4.801 -14.364 9.164 1.00 1.69 H new ATOM 0 HB2 GLU A 97 2.802 -12.763 7.608 1.00 1.68 H new ATOM 0 HB3 GLU A 97 3.674 -14.211 7.144 1.00 1.68 H new ATOM 0 HG2 GLU A 97 1.347 -14.115 9.081 1.00 2.10 H new ATOM 0 HG3 GLU A 97 1.249 -14.560 7.389 1.00 2.10 H new ATOM 1533 N GLU A 98 5.834 -12.406 7.688 1.00 1.32 N ATOM 1534 CA GLU A 98 6.672 -11.451 6.983 1.00 1.12 C ATOM 1535 C GLU A 98 6.300 -11.633 5.514 1.00 1.03 C ATOM 1536 O GLU A 98 6.153 -12.763 5.038 1.00 1.28 O ATOM 1537 CB GLU A 98 8.166 -11.777 7.191 1.00 1.51 C ATOM 1538 CG GLU A 98 8.850 -10.848 8.196 1.00 1.58 C ATOM 1539 CD GLU A 98 9.357 -9.577 7.506 1.00 2.47 C ATOM 1540 OE1 GLU A 98 8.503 -8.781 7.061 1.00 3.90 O ATOM 1541 OE2 GLU A 98 10.593 -9.434 7.401 1.00 2.79 O ATOM 0 H GLU A 98 5.918 -13.329 7.262 1.00 1.32 H new ATOM 0 HA GLU A 98 6.520 -10.431 7.337 1.00 1.12 H new ATOM 0 HB2 GLU A 98 8.262 -12.807 7.534 1.00 1.51 H new ATOM 0 HB3 GLU A 98 8.683 -11.710 6.234 1.00 1.51 H new ATOM 0 HG2 GLU A 98 8.149 -10.582 8.988 1.00 1.58 H new ATOM 0 HG3 GLU A 98 9.683 -11.367 8.669 1.00 1.58 H new ATOM 1548 N VAL A 99 6.072 -10.522 4.829 1.00 0.79 N ATOM 1549 CA VAL A 99 5.510 -10.473 3.467 1.00 0.83 C ATOM 1550 C VAL A 99 6.252 -9.463 2.601 1.00 0.66 C ATOM 1551 O VAL A 99 6.428 -8.308 2.966 1.00 0.71 O ATOM 1552 CB VAL A 99 4.018 -10.087 3.476 1.00 0.95 C ATOM 1553 CG1 VAL A 99 3.422 -10.000 2.061 1.00 1.30 C ATOM 1554 CG2 VAL A 99 3.163 -11.062 4.305 1.00 1.14 C ATOM 0 H VAL A 99 6.275 -9.597 5.208 1.00 0.79 H new ATOM 0 HA VAL A 99 5.624 -11.476 3.055 1.00 0.83 H new ATOM 0 HB VAL A 99 3.988 -9.100 3.938 1.00 0.95 H new ATOM 0 HG11 VAL A 99 2.369 -9.725 2.126 1.00 1.30 H new ATOM 0 HG12 VAL A 99 3.959 -9.246 1.486 1.00 1.30 H new ATOM 0 HG13 VAL A 99 3.514 -10.967 1.567 1.00 1.30 H new ATOM 0 HG21 VAL A 99 2.121 -10.745 4.279 1.00 1.14 H new ATOM 0 HG22 VAL A 99 3.248 -12.065 3.888 1.00 1.14 H new ATOM 0 HG23 VAL A 99 3.515 -11.067 5.337 1.00 1.14 H new ATOM 1564 N GLU A 100 6.594 -9.918 1.406 1.00 0.66 N ATOM 1565 CA GLU A 100 7.193 -9.089 0.359 1.00 0.63 C ATOM 1566 C GLU A 100 6.148 -8.246 -0.375 1.00 0.62 C ATOM 1567 O GLU A 100 5.072 -8.742 -0.732 1.00 0.77 O ATOM 1568 CB GLU A 100 7.896 -9.928 -0.712 1.00 1.13 C ATOM 1569 CG GLU A 100 9.233 -10.552 -0.318 1.00 1.23 C ATOM 1570 CD GLU A 100 9.995 -10.861 -1.604 1.00 1.43 C ATOM 1571 OE1 GLU A 100 9.425 -11.521 -2.501 1.00 2.01 O ATOM 1572 OE2 GLU A 100 11.091 -10.294 -1.799 1.00 2.39 O ATOM 0 H GLU A 100 6.463 -10.890 1.127 1.00 0.66 H new ATOM 0 HA GLU A 100 7.907 -8.453 0.882 1.00 0.63 H new ATOM 0 HB2 GLU A 100 7.222 -10.729 -1.015 1.00 1.13 H new ATOM 0 HB3 GLU A 100 8.058 -9.299 -1.587 1.00 1.13 H new ATOM 0 HG2 GLU A 100 9.804 -9.869 0.311 1.00 1.23 H new ATOM 0 HG3 GLU A 100 9.075 -11.462 0.261 1.00 1.23 H new ATOM 1579 N LEU A 101 6.549 -7.019 -0.720 1.00 0.57 N ATOM 1580 CA LEU A 101 6.007 -6.279 -1.858 1.00 0.50 C ATOM 1581 C LEU A 101 7.141 -5.902 -2.826 1.00 0.44 C ATOM 1582 O LEU A 101 8.297 -5.743 -2.435 1.00 0.63 O ATOM 1583 CB LEU A 101 5.228 -5.023 -1.405 1.00 0.63 C ATOM 1584 CG LEU A 101 3.698 -5.153 -1.517 1.00 0.88 C ATOM 1585 CD1 LEU A 101 3.065 -5.906 -0.335 1.00 1.27 C ATOM 1586 CD2 LEU A 101 3.054 -3.764 -1.594 1.00 1.95 C ATOM 0 H LEU A 101 7.268 -6.507 -0.209 1.00 0.57 H new ATOM 0 HA LEU A 101 5.299 -6.925 -2.376 1.00 0.50 H new ATOM 0 HB2 LEU A 101 5.488 -4.802 -0.370 1.00 0.63 H new ATOM 0 HB3 LEU A 101 5.554 -4.172 -2.003 1.00 0.63 H new ATOM 0 HG LEU A 101 3.512 -5.728 -2.424 1.00 0.88 H new ATOM 0 HD11 LEU A 101 1.986 -5.963 -0.476 1.00 1.27 H new ATOM 0 HD12 LEU A 101 3.477 -6.914 -0.283 1.00 1.27 H new ATOM 0 HD13 LEU A 101 3.283 -5.376 0.592 1.00 1.27 H new ATOM 0 HD21 LEU A 101 1.972 -3.869 -1.673 1.00 1.95 H new ATOM 0 HD22 LEU A 101 3.299 -3.199 -0.695 1.00 1.95 H new ATOM 0 HD23 LEU A 101 3.432 -3.236 -2.469 1.00 1.95 H new ATOM 1598 N ASP A 102 6.765 -5.714 -4.088 1.00 0.56 N ATOM 1599 CA ASP A 102 7.585 -5.212 -5.188 1.00 0.60 C ATOM 1600 C ASP A 102 6.876 -4.011 -5.825 1.00 0.63 C ATOM 1601 O ASP A 102 5.801 -4.169 -6.405 1.00 1.05 O ATOM 1602 CB ASP A 102 7.754 -6.334 -6.220 1.00 0.95 C ATOM 1603 CG ASP A 102 8.776 -7.383 -5.801 1.00 1.46 C ATOM 1604 OD1 ASP A 102 9.871 -7.002 -5.341 1.00 2.61 O ATOM 1605 OD2 ASP A 102 8.488 -8.593 -5.948 1.00 1.77 O ATOM 0 H ASP A 102 5.813 -5.923 -4.390 1.00 0.56 H new ATOM 0 HA ASP A 102 8.565 -4.899 -4.828 1.00 0.60 H new ATOM 0 HB2 ASP A 102 6.791 -6.818 -6.382 1.00 0.95 H new ATOM 0 HB3 ASP A 102 8.057 -5.900 -7.173 1.00 0.95 H new ATOM 1610 N LEU A 103 7.444 -2.810 -5.692 1.00 0.54 N ATOM 1611 CA LEU A 103 6.811 -1.539 -6.078 1.00 0.50 C ATOM 1612 C LEU A 103 7.028 -1.241 -7.568 1.00 0.50 C ATOM 1613 O LEU A 103 8.157 -1.012 -7.996 1.00 0.70 O ATOM 1614 CB LEU A 103 7.359 -0.387 -5.210 1.00 0.54 C ATOM 1615 CG LEU A 103 6.777 -0.293 -3.785 1.00 0.63 C ATOM 1616 CD1 LEU A 103 7.156 -1.484 -2.896 1.00 0.82 C ATOM 1617 CD2 LEU A 103 7.267 1.002 -3.121 1.00 0.91 C ATOM 0 H LEU A 103 8.379 -2.688 -5.304 1.00 0.54 H new ATOM 0 HA LEU A 103 5.738 -1.628 -5.909 1.00 0.50 H new ATOM 0 HB2 LEU A 103 8.441 -0.495 -5.135 1.00 0.54 H new ATOM 0 HB3 LEU A 103 7.168 0.555 -5.724 1.00 0.54 H new ATOM 0 HG LEU A 103 5.692 -0.300 -3.886 1.00 0.63 H new ATOM 0 HD11 LEU A 103 6.715 -1.355 -1.908 1.00 0.82 H new ATOM 0 HD12 LEU A 103 6.782 -2.405 -3.343 1.00 0.82 H new ATOM 0 HD13 LEU A 103 8.241 -1.539 -2.805 1.00 0.82 H new ATOM 0 HD21 LEU A 103 6.857 1.072 -2.113 1.00 0.91 H new ATOM 0 HD22 LEU A 103 8.356 0.996 -3.070 1.00 0.91 H new ATOM 0 HD23 LEU A 103 6.936 1.859 -3.707 1.00 0.91 H new ATOM 1629 N LEU A 104 5.942 -1.185 -8.347 1.00 0.41 N ATOM 1630 CA LEU A 104 5.964 -0.951 -9.796 1.00 0.42 C ATOM 1631 C LEU A 104 5.990 0.555 -10.082 1.00 0.48 C ATOM 1632 O LEU A 104 4.987 1.260 -9.920 1.00 0.47 O ATOM 1633 CB LEU A 104 4.749 -1.645 -10.454 1.00 0.40 C ATOM 1634 CG LEU A 104 4.660 -3.170 -10.229 1.00 0.43 C ATOM 1635 CD1 LEU A 104 3.330 -3.699 -10.782 1.00 0.61 C ATOM 1636 CD2 LEU A 104 5.818 -3.922 -10.900 1.00 0.60 C ATOM 0 H LEU A 104 4.999 -1.304 -7.978 1.00 0.41 H new ATOM 0 HA LEU A 104 6.867 -1.382 -10.228 1.00 0.42 H new ATOM 0 HB2 LEU A 104 3.838 -1.184 -10.073 1.00 0.40 H new ATOM 0 HB3 LEU A 104 4.779 -1.453 -11.527 1.00 0.40 H new ATOM 0 HG LEU A 104 4.722 -3.344 -9.155 1.00 0.43 H new ATOM 0 HD11 LEU A 104 3.271 -4.775 -10.621 1.00 0.61 H new ATOM 0 HD12 LEU A 104 2.502 -3.210 -10.269 1.00 0.61 H new ATOM 0 HD13 LEU A 104 3.270 -3.488 -11.850 1.00 0.61 H new ATOM 0 HD21 LEU A 104 5.713 -4.991 -10.715 1.00 0.60 H new ATOM 0 HD22 LEU A 104 5.799 -3.736 -11.974 1.00 0.60 H new ATOM 0 HD23 LEU A 104 6.765 -3.573 -10.488 1.00 0.60 H new ATOM 1648 N PHE A 105 7.144 1.060 -10.515 1.00 0.62 N ATOM 1649 CA PHE A 105 7.410 2.474 -10.746 1.00 0.72 C ATOM 1650 C PHE A 105 7.384 2.821 -12.243 1.00 0.76 C ATOM 1651 O PHE A 105 8.314 2.498 -12.983 1.00 1.19 O ATOM 1652 CB PHE A 105 8.778 2.816 -10.147 1.00 0.81 C ATOM 1653 CG PHE A 105 8.763 2.925 -8.641 1.00 0.72 C ATOM 1654 CD1 PHE A 105 8.032 3.958 -8.023 1.00 1.74 C ATOM 1655 CD2 PHE A 105 9.491 2.013 -7.858 1.00 2.04 C ATOM 1656 CE1 PHE A 105 8.047 4.094 -6.626 1.00 1.89 C ATOM 1657 CE2 PHE A 105 9.489 2.145 -6.459 1.00 1.91 C ATOM 1658 CZ PHE A 105 8.771 3.180 -5.846 1.00 0.74 C ATOM 0 H PHE A 105 7.950 0.470 -10.722 1.00 0.62 H new ATOM 0 HA PHE A 105 6.627 3.062 -10.267 1.00 0.72 H new ATOM 0 HB2 PHE A 105 9.497 2.051 -10.441 1.00 0.81 H new ATOM 0 HB3 PHE A 105 9.125 3.759 -10.569 1.00 0.81 H new ATOM 0 HD1 PHE A 105 7.459 4.647 -8.625 1.00 1.74 H new ATOM 0 HD2 PHE A 105 10.048 1.216 -8.328 1.00 2.04 H new ATOM 0 HE1 PHE A 105 7.503 4.899 -6.154 1.00 1.89 H new ATOM 0 HE2 PHE A 105 10.044 1.444 -5.853 1.00 1.91 H new ATOM 0 HZ PHE A 105 8.775 3.275 -4.770 1.00 0.74 H new ATOM 1668 N ALA A 106 6.334 3.524 -12.677 1.00 0.63 N ATOM 1669 CA ALA A 106 6.114 3.985 -14.054 1.00 0.64 C ATOM 1670 C ALA A 106 6.160 2.836 -15.088 1.00 1.73 C ATOM 1671 O ALA A 106 6.563 3.038 -16.234 1.00 2.51 O ATOM 1672 CB ALA A 106 7.091 5.132 -14.364 1.00 1.48 C ATOM 0 H ALA A 106 5.578 3.801 -12.050 1.00 0.63 H new ATOM 0 HA ALA A 106 5.099 4.373 -14.138 1.00 0.64 H new ATOM 0 HB1 ALA A 106 6.933 5.479 -15.385 1.00 1.48 H new ATOM 0 HB2 ALA A 106 6.918 5.955 -13.670 1.00 1.48 H new ATOM 0 HB3 ALA A 106 8.116 4.776 -14.256 1.00 1.48 H new ATOM 1678 N GLY A 107 5.825 1.610 -14.667 1.00 2.77 N ATOM 1679 CA GLY A 107 5.904 0.383 -15.467 1.00 4.02 C ATOM 1680 C GLY A 107 7.327 -0.166 -15.588 1.00 3.38 C ATOM 1681 O GLY A 107 7.584 -1.294 -15.182 1.00 4.68 O ATOM 0 H GLY A 107 5.478 1.440 -13.723 1.00 2.77 H new ATOM 0 HA2 GLY A 107 5.265 -0.377 -15.018 1.00 4.02 H new ATOM 0 HA3 GLY A 107 5.512 0.581 -16.464 1.00 4.02 H new ATOM 1685 N GLY A 108 8.253 0.627 -16.138 1.00 1.61 N ATOM 1686 CA GLY A 108 9.589 0.168 -16.562 1.00 1.39 C ATOM 1687 C GLY A 108 10.622 -0.059 -15.450 1.00 1.20 C ATOM 1688 O GLY A 108 11.749 -0.439 -15.750 1.00 1.60 O ATOM 0 H GLY A 108 8.097 1.621 -16.305 1.00 1.61 H new ATOM 0 HA2 GLY A 108 9.470 -0.765 -17.112 1.00 1.39 H new ATOM 0 HA3 GLY A 108 9.995 0.900 -17.260 1.00 1.39 H new ATOM 1692 N LYS A 109 10.280 0.188 -14.181 1.00 0.86 N ATOM 1693 CA LYS A 109 11.133 -0.055 -13.007 1.00 0.83 C ATOM 1694 C LYS A 109 10.357 -0.774 -11.889 1.00 0.68 C ATOM 1695 O LYS A 109 9.181 -0.493 -11.685 1.00 0.77 O ATOM 1696 CB LYS A 109 11.666 1.296 -12.490 1.00 0.91 C ATOM 1697 CG LYS A 109 12.825 1.835 -13.341 1.00 1.24 C ATOM 1698 CD LYS A 109 13.009 3.354 -13.223 1.00 1.46 C ATOM 1699 CE LYS A 109 11.875 4.093 -13.956 1.00 2.31 C ATOM 1700 NZ LYS A 109 12.124 5.555 -14.020 1.00 2.83 N ATOM 0 H LYS A 109 9.370 0.576 -13.932 1.00 0.86 H new ATOM 0 HA LYS A 109 11.961 -0.699 -13.303 1.00 0.83 H new ATOM 0 HB2 LYS A 109 10.855 2.024 -12.483 1.00 0.91 H new ATOM 0 HB3 LYS A 109 12.000 1.181 -11.459 1.00 0.91 H new ATOM 0 HG2 LYS A 109 13.748 1.340 -13.041 1.00 1.24 H new ATOM 0 HG3 LYS A 109 12.650 1.577 -14.386 1.00 1.24 H new ATOM 0 HD2 LYS A 109 13.021 3.644 -12.172 1.00 1.46 H new ATOM 0 HD3 LYS A 109 13.972 3.643 -13.644 1.00 1.46 H new ATOM 0 HE2 LYS A 109 11.776 3.696 -14.966 1.00 2.31 H new ATOM 0 HE3 LYS A 109 10.930 3.907 -13.446 1.00 2.31 H new ATOM 0 HZ1 LYS A 109 11.339 6.019 -14.521 1.00 2.83 H new ATOM 0 HZ2 LYS A 109 12.194 5.938 -13.056 1.00 2.83 H new ATOM 0 HZ3 LYS A 109 13.013 5.734 -14.529 1.00 2.83 H new ATOM 1714 N VAL A 110 11.044 -1.627 -11.129 1.00 0.71 N ATOM 1715 CA VAL A 110 10.514 -2.340 -9.960 1.00 0.68 C ATOM 1716 C VAL A 110 11.537 -2.346 -8.816 1.00 0.69 C ATOM 1717 O VAL A 110 12.740 -2.311 -9.082 1.00 0.77 O ATOM 1718 CB VAL A 110 10.067 -3.766 -10.355 1.00 0.77 C ATOM 1719 CG1 VAL A 110 11.236 -4.676 -10.772 1.00 1.64 C ATOM 1720 CG2 VAL A 110 9.251 -4.440 -9.244 1.00 2.24 C ATOM 0 H VAL A 110 12.022 -1.851 -11.315 1.00 0.71 H new ATOM 0 HA VAL A 110 9.632 -1.814 -9.594 1.00 0.68 H new ATOM 0 HB VAL A 110 9.429 -3.633 -11.229 1.00 0.77 H new ATOM 0 HG11 VAL A 110 10.853 -5.662 -11.037 1.00 1.64 H new ATOM 0 HG12 VAL A 110 11.746 -4.242 -11.632 1.00 1.64 H new ATOM 0 HG13 VAL A 110 11.938 -4.770 -9.943 1.00 1.64 H new ATOM 0 HG21 VAL A 110 8.957 -5.440 -9.564 1.00 2.24 H new ATOM 0 HG22 VAL A 110 9.856 -4.511 -8.340 1.00 2.24 H new ATOM 0 HG23 VAL A 110 8.359 -3.849 -9.038 1.00 2.24 H new ATOM 1730 N LEU A 111 11.066 -2.368 -7.563 1.00 0.67 N ATOM 1731 CA LEU A 111 11.901 -2.299 -6.356 1.00 0.69 C ATOM 1732 C LEU A 111 11.314 -3.152 -5.224 1.00 0.74 C ATOM 1733 O LEU A 111 10.145 -3.005 -4.877 1.00 0.93 O ATOM 1734 CB LEU A 111 12.030 -0.812 -5.966 1.00 0.75 C ATOM 1735 CG LEU A 111 12.851 -0.512 -4.690 1.00 1.11 C ATOM 1736 CD1 LEU A 111 13.584 0.831 -4.846 1.00 2.06 C ATOM 1737 CD2 LEU A 111 11.971 -0.430 -3.431 1.00 2.16 C ATOM 0 H LEU A 111 10.070 -2.436 -7.355 1.00 0.67 H new ATOM 0 HA LEU A 111 12.891 -2.711 -6.549 1.00 0.69 H new ATOM 0 HB2 LEU A 111 12.484 -0.277 -6.800 1.00 0.75 H new ATOM 0 HB3 LEU A 111 11.028 -0.404 -5.833 1.00 0.75 H new ATOM 0 HG LEU A 111 13.555 -1.335 -4.569 1.00 1.11 H new ATOM 0 HD11 LEU A 111 14.161 1.038 -3.944 1.00 2.06 H new ATOM 0 HD12 LEU A 111 14.256 0.782 -5.703 1.00 2.06 H new ATOM 0 HD13 LEU A 111 12.856 1.627 -5.001 1.00 2.06 H new ATOM 0 HD21 LEU A 111 12.596 -0.218 -2.564 1.00 2.16 H new ATOM 0 HD22 LEU A 111 11.236 0.366 -3.552 1.00 2.16 H new ATOM 0 HD23 LEU A 111 11.457 -1.380 -3.284 1.00 2.16 H new ATOM 1749 N LYS A 112 12.149 -4.000 -4.616 1.00 0.88 N ATOM 1750 CA LYS A 112 11.761 -4.935 -3.554 1.00 1.04 C ATOM 1751 C LYS A 112 11.621 -4.267 -2.169 1.00 0.89 C ATOM 1752 O LYS A 112 12.487 -3.485 -1.770 1.00 1.31 O ATOM 1753 CB LYS A 112 12.854 -6.035 -3.483 1.00 1.88 C ATOM 1754 CG LYS A 112 12.332 -7.477 -3.368 1.00 1.70 C ATOM 1755 CD LYS A 112 12.579 -8.249 -4.681 1.00 2.05 C ATOM 1756 CE LYS A 112 11.988 -9.664 -4.705 1.00 1.71 C ATOM 1757 NZ LYS A 112 10.550 -9.681 -4.367 1.00 2.22 N ATOM 0 H LYS A 112 13.139 -4.057 -4.854 1.00 0.88 H new ATOM 0 HA LYS A 112 10.779 -5.339 -3.799 1.00 1.04 H new ATOM 0 HB2 LYS A 112 13.477 -5.962 -4.374 1.00 1.88 H new ATOM 0 HB3 LYS A 112 13.497 -5.830 -2.627 1.00 1.88 H new ATOM 0 HG2 LYS A 112 12.829 -7.985 -2.542 1.00 1.70 H new ATOM 0 HG3 LYS A 112 11.266 -7.467 -3.141 1.00 1.70 H new ATOM 0 HD2 LYS A 112 12.157 -7.678 -5.509 1.00 2.05 H new ATOM 0 HD3 LYS A 112 13.653 -8.314 -4.853 1.00 2.05 H new ATOM 0 HE2 LYS A 112 12.131 -10.097 -5.695 1.00 1.71 H new ATOM 0 HE3 LYS A 112 12.531 -10.293 -4.000 1.00 1.71 H new ATOM 0 HZ1 LYS A 112 10.214 -10.664 -4.330 1.00 2.22 H new ATOM 0 HZ2 LYS A 112 10.406 -9.231 -3.441 1.00 2.22 H new ATOM 0 HZ3 LYS A 112 10.017 -9.159 -5.092 1.00 2.22 H new ATOM 1771 N VAL A 113 10.614 -4.662 -1.387 1.00 0.72 N ATOM 1772 CA VAL A 113 10.498 -4.417 0.067 1.00 0.85 C ATOM 1773 C VAL A 113 9.987 -5.673 0.792 1.00 0.76 C ATOM 1774 O VAL A 113 9.454 -6.580 0.156 1.00 0.79 O ATOM 1775 CB VAL A 113 9.566 -3.226 0.400 1.00 1.10 C ATOM 1776 CG1 VAL A 113 10.118 -1.892 -0.127 1.00 1.91 C ATOM 1777 CG2 VAL A 113 8.122 -3.419 -0.081 1.00 2.71 C ATOM 0 H VAL A 113 9.820 -5.184 -1.757 1.00 0.72 H new ATOM 0 HA VAL A 113 11.500 -4.167 0.414 1.00 0.85 H new ATOM 0 HB VAL A 113 9.541 -3.192 1.489 1.00 1.10 H new ATOM 0 HG11 VAL A 113 9.430 -1.087 0.131 1.00 1.91 H new ATOM 0 HG12 VAL A 113 11.091 -1.697 0.325 1.00 1.91 H new ATOM 0 HG13 VAL A 113 10.225 -1.945 -1.210 1.00 1.91 H new ATOM 0 HG21 VAL A 113 7.529 -2.545 0.188 1.00 2.71 H new ATOM 0 HG22 VAL A 113 8.113 -3.545 -1.164 1.00 2.71 H new ATOM 0 HG23 VAL A 113 7.697 -4.305 0.391 1.00 2.71 H new ATOM 1787 N VAL A 114 10.108 -5.699 2.123 1.00 0.90 N ATOM 1788 CA VAL A 114 9.469 -6.689 3.006 1.00 0.93 C ATOM 1789 C VAL A 114 8.831 -5.970 4.206 1.00 0.91 C ATOM 1790 O VAL A 114 9.275 -4.877 4.575 1.00 1.01 O ATOM 1791 CB VAL A 114 10.472 -7.795 3.419 1.00 1.23 C ATOM 1792 CG1 VAL A 114 11.437 -7.349 4.529 1.00 1.45 C ATOM 1793 CG2 VAL A 114 9.754 -9.104 3.770 1.00 2.67 C ATOM 0 H VAL A 114 10.667 -5.015 2.633 1.00 0.90 H new ATOM 0 HA VAL A 114 8.670 -7.200 2.469 1.00 0.93 H new ATOM 0 HB VAL A 114 11.095 -7.987 2.545 1.00 1.23 H new ATOM 0 HG11 VAL A 114 12.114 -8.168 4.773 1.00 1.45 H new ATOM 0 HG12 VAL A 114 12.015 -6.491 4.186 1.00 1.45 H new ATOM 0 HG13 VAL A 114 10.868 -7.072 5.416 1.00 1.45 H new ATOM 0 HG21 VAL A 114 10.489 -9.857 4.055 1.00 2.67 H new ATOM 0 HG22 VAL A 114 9.070 -8.932 4.601 1.00 2.67 H new ATOM 0 HG23 VAL A 114 9.192 -9.454 2.904 1.00 2.67 H new ATOM 1803 N LEU A 115 7.761 -6.549 4.766 1.00 0.89 N ATOM 1804 CA LEU A 115 6.954 -6.001 5.852 1.00 0.95 C ATOM 1805 C LEU A 115 6.193 -7.097 6.649 1.00 1.01 C ATOM 1806 O LEU A 115 5.609 -8.000 6.031 1.00 1.09 O ATOM 1807 CB LEU A 115 6.020 -4.867 5.370 1.00 1.03 C ATOM 1808 CG LEU A 115 5.141 -5.128 4.123 1.00 1.49 C ATOM 1809 CD1 LEU A 115 3.937 -4.175 4.130 1.00 2.45 C ATOM 1810 CD2 LEU A 115 5.914 -4.884 2.817 1.00 1.79 C ATOM 0 H LEU A 115 7.422 -7.459 4.454 1.00 0.89 H new ATOM 0 HA LEU A 115 7.655 -5.551 6.555 1.00 0.95 H new ATOM 0 HB2 LEU A 115 5.358 -4.606 6.196 1.00 1.03 H new ATOM 0 HB3 LEU A 115 6.636 -3.991 5.166 1.00 1.03 H new ATOM 0 HG LEU A 115 4.826 -6.171 4.166 1.00 1.49 H new ATOM 0 HD11 LEU A 115 3.320 -4.361 3.251 1.00 2.45 H new ATOM 0 HD12 LEU A 115 3.346 -4.343 5.030 1.00 2.45 H new ATOM 0 HD13 LEU A 115 4.289 -3.144 4.114 1.00 2.45 H new ATOM 0 HD21 LEU A 115 5.261 -5.078 1.966 1.00 1.79 H new ATOM 0 HD22 LEU A 115 6.255 -3.849 2.784 1.00 1.79 H new ATOM 0 HD23 LEU A 115 6.775 -5.551 2.774 1.00 1.79 H new ATOM 1822 N PRO A 116 6.153 -7.001 7.998 1.00 1.12 N ATOM 1823 CA PRO A 116 5.496 -7.966 8.870 1.00 1.19 C ATOM 1824 C PRO A 116 3.971 -7.831 8.885 1.00 1.10 C ATOM 1825 O PRO A 116 3.401 -6.801 8.508 1.00 1.09 O ATOM 1826 CB PRO A 116 6.080 -7.731 10.268 1.00 1.42 C ATOM 1827 CG PRO A 116 6.437 -6.248 10.243 1.00 1.41 C ATOM 1828 CD PRO A 116 6.924 -6.069 8.810 1.00 1.26 C ATOM 0 HA PRO A 116 5.680 -8.978 8.508 1.00 1.19 H new ATOM 0 HB2 PRO A 116 5.357 -7.959 11.051 1.00 1.42 H new ATOM 0 HB3 PRO A 116 6.955 -8.354 10.450 1.00 1.42 H new ATOM 0 HG2 PRO A 116 5.577 -5.617 10.464 1.00 1.41 H new ATOM 0 HG3 PRO A 116 7.209 -6.001 10.971 1.00 1.41 H new ATOM 0 HD2 PRO A 116 6.774 -5.043 8.473 1.00 1.26 H new ATOM 0 HD3 PRO A 116 7.991 -6.277 8.733 1.00 1.26 H new ATOM 1836 N VAL A 117 3.317 -8.882 9.382 1.00 1.14 N ATOM 1837 CA VAL A 117 1.864 -8.909 9.587 1.00 1.12 C ATOM 1838 C VAL A 117 1.525 -8.738 11.072 1.00 1.21 C ATOM 1839 O VAL A 117 1.749 -9.620 11.906 1.00 1.52 O ATOM 1840 CB VAL A 117 1.215 -10.170 9.000 1.00 1.14 C ATOM 1841 CG1 VAL A 117 -0.314 -10.024 9.043 1.00 1.12 C ATOM 1842 CG2 VAL A 117 1.639 -10.368 7.535 1.00 1.13 C ATOM 0 H VAL A 117 3.783 -9.747 9.657 1.00 1.14 H new ATOM 0 HA VAL A 117 1.442 -8.065 9.042 1.00 1.12 H new ATOM 0 HB VAL A 117 1.538 -11.028 9.590 1.00 1.14 H new ATOM 0 HG11 VAL A 117 -0.777 -10.919 8.626 1.00 1.12 H new ATOM 0 HG12 VAL A 117 -0.638 -9.895 10.076 1.00 1.12 H new ATOM 0 HG13 VAL A 117 -0.613 -9.155 8.457 1.00 1.12 H new ATOM 0 HG21 VAL A 117 1.168 -11.267 7.138 1.00 1.13 H new ATOM 0 HG22 VAL A 117 1.327 -9.505 6.946 1.00 1.13 H new ATOM 0 HG23 VAL A 117 2.723 -10.472 7.481 1.00 1.13 H new ATOM 1852 N GLU A 118 0.968 -7.568 11.368 1.00 1.07 N ATOM 1853 CA GLU A 118 0.706 -7.015 12.691 1.00 1.05 C ATOM 1854 C GLU A 118 -0.806 -6.983 12.946 1.00 1.32 C ATOM 1855 O GLU A 118 -1.484 -5.993 12.670 1.00 2.03 O ATOM 1856 CB GLU A 118 1.313 -5.597 12.759 1.00 1.17 C ATOM 1857 CG GLU A 118 2.848 -5.579 12.740 1.00 1.74 C ATOM 1858 CD GLU A 118 3.385 -6.116 14.058 1.00 2.84 C ATOM 1859 OE1 GLU A 118 3.478 -5.336 15.027 1.00 3.21 O ATOM 1860 OE2 GLU A 118 3.567 -7.343 14.199 1.00 4.17 O ATOM 0 H GLU A 118 0.664 -6.932 10.630 1.00 1.07 H new ATOM 0 HA GLU A 118 1.163 -7.635 13.463 1.00 1.05 H new ATOM 0 HB2 GLU A 118 0.942 -5.012 11.918 1.00 1.17 H new ATOM 0 HB3 GLU A 118 0.964 -5.106 13.667 1.00 1.17 H new ATOM 0 HG2 GLU A 118 3.218 -6.184 11.912 1.00 1.74 H new ATOM 0 HG3 GLU A 118 3.207 -4.563 12.577 1.00 1.74 H new ATOM 1867 N ALA A 119 -1.355 -8.072 13.495 1.00 1.74 N ATOM 1868 CA ALA A 119 -2.781 -8.161 13.804 1.00 2.03 C ATOM 1869 C ALA A 119 -3.097 -7.407 15.109 1.00 2.82 C ATOM 1870 O ALA A 119 -3.126 -7.999 16.190 1.00 3.67 O ATOM 1871 CB ALA A 119 -3.214 -9.630 13.829 1.00 2.49 C ATOM 0 H ALA A 119 -0.825 -8.910 13.735 1.00 1.74 H new ATOM 0 HA ALA A 119 -3.364 -7.672 13.024 1.00 2.03 H new ATOM 0 HB1 ALA A 119 -4.278 -9.692 14.060 1.00 2.49 H new ATOM 0 HB2 ALA A 119 -3.027 -10.081 12.854 1.00 2.49 H new ATOM 0 HB3 ALA A 119 -2.646 -10.164 14.591 1.00 2.49 H new ATOM 1877 N ARG A 120 -3.253 -6.085 14.984 1.00 2.92 N ATOM 1878 CA ARG A 120 -3.437 -5.126 16.085 1.00 3.81 C ATOM 1879 C ARG A 120 -4.499 -4.097 15.698 1.00 4.23 C ATOM 1880 O ARG A 120 -5.652 -4.260 16.145 1.00 5.28 O ATOM 1881 CB ARG A 120 -2.082 -4.473 16.448 1.00 4.03 C ATOM 1882 CG ARG A 120 -0.951 -5.503 16.633 1.00 5.13 C ATOM 1883 CD ARG A 120 0.357 -4.886 17.140 1.00 5.61 C ATOM 1884 NE ARG A 120 1.517 -5.748 16.850 1.00 6.89 N ATOM 1885 CZ ARG A 120 1.822 -6.949 17.289 1.00 8.40 C ATOM 1886 NH1 ARG A 120 1.099 -7.575 18.172 1.00 9.18 N ATOM 1887 NH2 ARG A 120 2.864 -7.562 16.831 1.00 9.55 N ATOM 1888 OXT ARG A 120 -4.231 -3.252 14.821 1.00 3.93 O ATOM 0 H ARG A 120 -3.255 -5.630 14.071 1.00 2.92 H new ATOM 0 HA ARG A 120 -3.793 -5.642 16.977 1.00 3.81 H new ATOM 0 HB2 ARG A 120 -1.802 -3.770 15.664 1.00 4.03 H new ATOM 0 HB3 ARG A 120 -2.196 -3.897 17.366 1.00 4.03 H new ATOM 0 HG2 ARG A 120 -1.279 -6.269 17.335 1.00 5.13 H new ATOM 0 HG3 ARG A 120 -0.764 -6.001 15.682 1.00 5.13 H new ATOM 0 HD2 ARG A 120 0.503 -3.911 16.675 1.00 5.61 H new ATOM 0 HD3 ARG A 120 0.288 -4.719 18.215 1.00 5.61 H new ATOM 0 HE ARG A 120 2.195 -5.346 16.202 1.00 6.89 H new ATOM 0 HH11 ARG A 120 0.260 -7.134 18.550 1.00 9.18 H new ATOM 0 HH12 ARG A 120 1.371 -8.507 18.486 1.00 9.18 H new ATOM 0 HH21 ARG A 120 3.451 -7.114 16.128 1.00 9.55 H new ATOM 0 HH22 ARG A 120 3.099 -8.494 17.173 1.00 9.55 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -8.739 -0.686 0.441 1.00 0.61 CU