USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 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+ 140:sc= 0.647 (180deg=-0.168) USER MOD Single : A 2 SER OG : rot 180:sc= -0.017 USER MOD Single : A 4 THR OG1 : rot 60:sc= 0.865 USER MOD Single : A 11 SER OG : rot 56:sc= 1.25 USER MOD Single : A 15 ASN : amide:sc=-0.000469 X(o=-0.00047,f=-0.26) USER MOD Single : A 19 TYR OH : rot 13:sc= 0.0806 USER MOD Single : A 21 THR OG1 : rot 134:sc= 1.04 USER MOD Single : A 24 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.4) USER MOD Single : A 37 THR OG1 : rot 86:sc= 0.118 USER MOD Single : A 48 THR OG1 : rot 97:sc= 0.452 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 152:sc= 0.65 (180deg=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0.782 (180deg=0.573) USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.000186) USER MOD Single : A 61 MET CE :methyl -172:sc= -0.0094 (180deg=-0.146) USER MOD Single : A 72 LYS NZ :NH3+ -117:sc= 0.0306! (180deg=-0.222!) USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 2.5 (180deg=1.44) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 175:sc= -0.767 (180deg=-0.843) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.34) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc= 0.911 (180deg=0.00303) USER MOD Single : A 109 LYS NZ :NH3+ 161:sc= 1.64 (180deg=1.19) USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= 0.478 (180deg=-0.57!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.880 -4.967 7.158 1.00 12.11 N ATOM 2 CA GLY A 1 11.865 -3.580 6.637 1.00 11.24 C ATOM 3 C GLY A 1 13.055 -2.800 7.166 1.00 9.94 C ATOM 4 O GLY A 1 13.551 -3.156 8.228 1.00 10.29 O ATOM 0 H1 GLY A 1 10.911 -5.258 7.399 1.00 12.11 H new ATOM 0 H2 GLY A 1 12.263 -5.606 6.433 1.00 12.11 H new ATOM 0 H3 GLY A 1 12.477 -5.012 8.009 1.00 12.11 H new ATOM 0 HA2 GLY A 1 11.888 -3.594 5.547 1.00 11.24 H new ATOM 0 HA3 GLY A 1 10.939 -3.085 6.930 1.00 11.24 H new ATOM 10 N SER A 2 13.533 -1.770 6.455 1.00 8.78 N ATOM 11 CA SER A 2 14.895 -1.224 6.692 1.00 7.89 C ATOM 12 C SER A 2 15.096 0.293 6.457 1.00 6.13 C ATOM 13 O SER A 2 16.106 0.834 6.900 1.00 6.01 O ATOM 14 CB SER A 2 15.903 -1.974 5.796 1.00 9.05 C ATOM 15 OG SER A 2 15.752 -3.385 5.841 1.00 10.58 O ATOM 0 H SER A 2 13.011 -1.296 5.717 1.00 8.78 H new ATOM 0 HA SER A 2 15.055 -1.375 7.760 1.00 7.89 H new ATOM 0 HB2 SER A 2 15.786 -1.636 4.767 1.00 9.05 H new ATOM 0 HB3 SER A 2 16.916 -1.714 6.104 1.00 9.05 H new ATOM 0 HG SER A 2 16.415 -3.804 5.254 1.00 10.58 H new ATOM 21 N PHE A 3 14.174 0.969 5.762 1.00 5.35 N ATOM 22 CA PHE A 3 14.182 2.400 5.357 1.00 4.31 C ATOM 23 C PHE A 3 12.833 2.742 4.675 1.00 3.48 C ATOM 24 O PHE A 3 12.753 3.329 3.597 1.00 4.11 O ATOM 25 CB PHE A 3 15.420 2.752 4.493 1.00 5.63 C ATOM 26 CG PHE A 3 15.698 1.864 3.285 1.00 7.24 C ATOM 27 CD1 PHE A 3 15.139 2.164 2.027 1.00 8.14 C ATOM 28 CD2 PHE A 3 16.548 0.748 3.411 1.00 8.44 C ATOM 29 CE1 PHE A 3 15.389 1.331 0.919 1.00 10.05 C ATOM 30 CE2 PHE A 3 16.803 -0.082 2.304 1.00 10.25 C ATOM 31 CZ PHE A 3 16.216 0.203 1.059 1.00 11.02 C ATOM 0 H PHE A 3 13.329 0.500 5.436 1.00 5.35 H new ATOM 0 HA PHE A 3 14.276 3.028 6.243 1.00 4.31 H new ATOM 0 HB2 PHE A 3 15.306 3.777 4.140 1.00 5.63 H new ATOM 0 HB3 PHE A 3 16.299 2.732 5.137 1.00 5.63 H new ATOM 0 HD1 PHE A 3 14.515 3.038 1.912 1.00 8.14 H new ATOM 0 HD2 PHE A 3 17.007 0.528 4.364 1.00 8.44 H new ATOM 0 HE1 PHE A 3 14.945 1.559 -0.039 1.00 10.05 H new ATOM 0 HE2 PHE A 3 17.451 -0.940 2.411 1.00 10.25 H new ATOM 0 HZ PHE A 3 16.400 -0.442 0.213 1.00 11.02 H new ATOM 41 N THR A 4 11.777 2.138 5.227 1.00 2.77 N ATOM 42 CA THR A 4 10.676 1.484 4.502 1.00 2.66 C ATOM 43 C THR A 4 9.561 1.124 5.489 1.00 1.88 C ATOM 44 O THR A 4 9.026 0.014 5.463 1.00 2.63 O ATOM 45 CB THR A 4 11.138 0.236 3.713 1.00 3.76 C ATOM 46 OG1 THR A 4 11.478 -0.770 4.645 1.00 4.36 O ATOM 47 CG2 THR A 4 12.310 0.401 2.742 1.00 4.71 C ATOM 0 H THR A 4 11.658 2.088 6.239 1.00 2.77 H new ATOM 0 HA THR A 4 10.299 2.189 3.761 1.00 2.66 H new ATOM 0 HB THR A 4 10.291 -0.006 3.072 1.00 3.76 H new ATOM 0 HG1 THR A 4 10.693 -0.991 5.189 1.00 4.36 H new ATOM 0 HG21 THR A 4 12.522 -0.554 2.262 1.00 4.71 H new ATOM 0 HG22 THR A 4 12.052 1.140 1.983 1.00 4.71 H new ATOM 0 HG23 THR A 4 13.191 0.735 3.289 1.00 4.71 H new ATOM 55 N GLU A 5 9.302 2.004 6.451 1.00 1.20 N ATOM 56 CA GLU A 5 8.462 1.728 7.617 1.00 1.38 C ATOM 57 C GLU A 5 6.970 1.773 7.260 1.00 1.33 C ATOM 58 O GLU A 5 6.284 2.793 7.336 1.00 1.62 O ATOM 59 CB GLU A 5 8.859 2.580 8.839 1.00 2.36 C ATOM 60 CG GLU A 5 8.850 4.116 8.719 1.00 3.53 C ATOM 61 CD GLU A 5 10.001 4.729 7.914 1.00 3.85 C ATOM 62 OE1 GLU A 5 10.857 3.985 7.381 1.00 4.10 O ATOM 63 OE2 GLU A 5 9.991 5.968 7.791 1.00 4.76 O ATOM 0 H GLU A 5 9.678 2.952 6.444 1.00 1.20 H new ATOM 0 HA GLU A 5 8.649 0.702 7.932 1.00 1.38 H new ATOM 0 HB2 GLU A 5 8.191 2.311 9.657 1.00 2.36 H new ATOM 0 HB3 GLU A 5 9.864 2.280 9.136 1.00 2.36 H new ATOM 0 HG2 GLU A 5 7.909 4.420 8.261 1.00 3.53 H new ATOM 0 HG3 GLU A 5 8.868 4.540 9.723 1.00 3.53 H new ATOM 70 N GLY A 6 6.481 0.616 6.815 1.00 1.26 N ATOM 71 CA GLY A 6 5.070 0.308 6.622 1.00 1.27 C ATOM 72 C GLY A 6 4.795 -1.148 6.982 1.00 1.00 C ATOM 73 O GLY A 6 5.720 -1.880 7.332 1.00 1.09 O ATOM 0 H GLY A 6 7.088 -0.166 6.569 1.00 1.26 H new ATOM 0 HA2 GLY A 6 4.459 0.965 7.241 1.00 1.27 H new ATOM 0 HA3 GLY A 6 4.788 0.493 5.586 1.00 1.27 H new ATOM 77 N TRP A 7 3.545 -1.588 6.857 1.00 0.92 N ATOM 78 CA TRP A 7 3.097 -2.928 7.248 1.00 0.80 C ATOM 79 C TRP A 7 2.062 -3.498 6.268 1.00 0.74 C ATOM 80 O TRP A 7 1.383 -2.756 5.550 1.00 0.75 O ATOM 81 CB TRP A 7 2.519 -2.881 8.676 1.00 1.03 C ATOM 82 CG TRP A 7 1.201 -2.176 8.845 1.00 1.30 C ATOM 83 CD1 TRP A 7 0.014 -2.781 9.091 1.00 1.42 C ATOM 84 CD2 TRP A 7 0.909 -0.740 8.824 1.00 1.83 C ATOM 85 NE1 TRP A 7 -0.986 -1.832 9.182 1.00 1.91 N ATOM 86 CE2 TRP A 7 -0.491 -0.559 9.037 1.00 2.16 C ATOM 87 CE3 TRP A 7 1.682 0.433 8.676 1.00 2.26 C ATOM 88 CZ2 TRP A 7 -1.090 0.709 9.089 1.00 2.77 C ATOM 89 CZ3 TRP A 7 1.094 1.712 8.709 1.00 2.89 C ATOM 90 CH2 TRP A 7 -0.291 1.850 8.918 1.00 3.11 C ATOM 0 H TRP A 7 2.796 -1.012 6.473 1.00 0.92 H new ATOM 0 HA TRP A 7 3.960 -3.593 7.223 1.00 0.80 H new ATOM 0 HB2 TRP A 7 2.406 -3.905 9.032 1.00 1.03 H new ATOM 0 HB3 TRP A 7 3.250 -2.397 9.324 1.00 1.03 H new ATOM 0 HD1 TRP A 7 -0.129 -3.846 9.200 1.00 1.42 H new ATOM 0 HE1 TRP A 7 -1.970 -2.050 9.338 1.00 1.91 H new ATOM 0 HE3 TRP A 7 2.749 0.347 8.534 1.00 2.26 H new ATOM 0 HZ2 TRP A 7 -2.152 0.806 9.258 1.00 2.77 H new ATOM 0 HZ3 TRP A 7 1.708 2.590 8.573 1.00 2.89 H new ATOM 0 HH2 TRP A 7 -0.738 2.833 8.947 1.00 3.11 H new ATOM 101 N VAL A 8 1.889 -4.821 6.281 1.00 0.86 N ATOM 102 CA VAL A 8 0.726 -5.480 5.655 1.00 0.97 C ATOM 103 C VAL A 8 -0.346 -5.652 6.739 1.00 1.07 C ATOM 104 O VAL A 8 -0.021 -5.994 7.876 1.00 1.22 O ATOM 105 CB VAL A 8 1.104 -6.809 4.961 1.00 1.07 C ATOM 106 CG1 VAL A 8 -0.120 -7.423 4.257 1.00 1.21 C ATOM 107 CG2 VAL A 8 2.220 -6.607 3.917 1.00 1.10 C ATOM 0 H VAL A 8 2.543 -5.468 6.721 1.00 0.86 H new ATOM 0 HA VAL A 8 0.332 -4.860 4.850 1.00 0.97 H new ATOM 0 HB VAL A 8 1.462 -7.482 5.740 1.00 1.07 H new ATOM 0 HG11 VAL A 8 0.168 -8.357 3.775 1.00 1.21 H new ATOM 0 HG12 VAL A 8 -0.902 -7.619 4.991 1.00 1.21 H new ATOM 0 HG13 VAL A 8 -0.494 -6.728 3.506 1.00 1.21 H new ATOM 0 HG21 VAL A 8 2.459 -7.563 3.450 1.00 1.10 H new ATOM 0 HG22 VAL A 8 1.882 -5.905 3.155 1.00 1.10 H new ATOM 0 HG23 VAL A 8 3.109 -6.210 4.407 1.00 1.10 H new ATOM 117 N ARG A 9 -1.610 -5.357 6.397 1.00 1.20 N ATOM 118 CA ARG A 9 -2.673 -4.967 7.337 1.00 1.39 C ATOM 119 C ARG A 9 -2.884 -5.906 8.539 1.00 1.33 C ATOM 120 O ARG A 9 -2.957 -5.411 9.659 1.00 2.61 O ATOM 121 CB ARG A 9 -3.986 -4.836 6.535 1.00 1.73 C ATOM 122 CG ARG A 9 -5.173 -4.232 7.299 1.00 1.79 C ATOM 123 CD ARG A 9 -5.084 -2.706 7.302 1.00 2.83 C ATOM 124 NE ARG A 9 -5.875 -2.116 8.378 1.00 2.99 N ATOM 125 CZ ARG A 9 -7.177 -1.948 8.493 1.00 3.56 C ATOM 126 NH1 ARG A 9 -8.017 -2.219 7.515 1.00 4.27 N ATOM 127 NH2 ARG A 9 -7.633 -1.507 9.639 1.00 4.02 N ATOM 0 H ARG A 9 -1.930 -5.384 5.429 1.00 1.20 H new ATOM 0 HA ARG A 9 -2.357 -4.026 7.787 1.00 1.39 H new ATOM 0 HB2 ARG A 9 -3.793 -4.222 5.655 1.00 1.73 H new ATOM 0 HB3 ARG A 9 -4.273 -5.825 6.178 1.00 1.73 H new ATOM 0 HG2 ARG A 9 -6.109 -4.547 6.838 1.00 1.79 H new ATOM 0 HG3 ARG A 9 -5.182 -4.604 8.323 1.00 1.79 H new ATOM 0 HD2 ARG A 9 -4.042 -2.403 7.409 1.00 2.83 H new ATOM 0 HD3 ARG A 9 -5.431 -2.320 6.343 1.00 2.83 H new ATOM 0 HE ARG A 9 -5.330 -1.778 9.171 1.00 2.99 H new ATOM 0 HH11 ARG A 9 -7.666 -2.574 6.625 1.00 4.27 H new ATOM 0 HH12 ARG A 9 -9.018 -2.074 7.648 1.00 4.27 H new ATOM 0 HH21 ARG A 9 -6.987 -1.307 10.402 1.00 4.02 H new ATOM 0 HH22 ARG A 9 -8.635 -1.364 9.768 1.00 4.02 H new ATOM 141 N PHE A 10 -3.111 -7.198 8.241 1.00 0.97 N ATOM 142 CA PHE A 10 -3.822 -8.240 8.993 1.00 0.91 C ATOM 143 C PHE A 10 -5.157 -8.519 8.292 1.00 0.93 C ATOM 144 O PHE A 10 -5.953 -7.601 8.085 1.00 1.12 O ATOM 145 CB PHE A 10 -4.062 -7.900 10.468 1.00 1.27 C ATOM 146 CG PHE A 10 -4.742 -9.010 11.224 1.00 1.44 C ATOM 147 CD1 PHE A 10 -3.977 -10.103 11.646 1.00 1.98 C ATOM 148 CD2 PHE A 10 -6.124 -8.975 11.470 1.00 2.34 C ATOM 149 CE1 PHE A 10 -4.588 -11.171 12.329 1.00 2.11 C ATOM 150 CE2 PHE A 10 -6.739 -10.035 12.157 1.00 2.56 C ATOM 151 CZ PHE A 10 -5.970 -11.134 12.589 1.00 1.91 C ATOM 0 H PHE A 10 -2.757 -7.578 7.363 1.00 0.97 H new ATOM 0 HA PHE A 10 -3.182 -9.123 9.001 1.00 0.91 H new ATOM 0 HB2 PHE A 10 -3.107 -7.676 10.944 1.00 1.27 H new ATOM 0 HB3 PHE A 10 -4.670 -6.998 10.533 1.00 1.27 H new ATOM 0 HD1 PHE A 10 -2.916 -10.127 11.447 1.00 1.98 H new ATOM 0 HD2 PHE A 10 -6.713 -8.135 11.132 1.00 2.34 H new ATOM 0 HE1 PHE A 10 -3.998 -12.016 12.652 1.00 2.11 H new ATOM 0 HE2 PHE A 10 -7.801 -10.008 12.354 1.00 2.56 H new ATOM 0 HZ PHE A 10 -6.442 -11.948 13.120 1.00 1.91 H new ATOM 161 N SER A 11 -5.394 -9.774 7.912 1.00 0.90 N ATOM 162 CA SER A 11 -6.566 -10.289 7.169 1.00 1.02 C ATOM 163 C SER A 11 -6.353 -11.782 6.856 1.00 1.01 C ATOM 164 O SER A 11 -5.283 -12.119 6.344 1.00 1.14 O ATOM 165 CB SER A 11 -6.796 -9.549 5.833 1.00 1.29 C ATOM 166 OG SER A 11 -7.384 -8.268 5.997 1.00 2.58 O ATOM 0 H SER A 11 -4.730 -10.518 8.126 1.00 0.90 H new ATOM 0 HA SER A 11 -7.439 -10.130 7.802 1.00 1.02 H new ATOM 0 HB2 SER A 11 -5.842 -9.440 5.317 1.00 1.29 H new ATOM 0 HB3 SER A 11 -7.437 -10.157 5.194 1.00 1.29 H new ATOM 0 HG SER A 11 -6.829 -7.728 6.597 1.00 2.58 H new ATOM 172 N PRO A 12 -7.325 -12.681 7.118 1.00 1.04 N ATOM 173 CA PRO A 12 -7.178 -14.107 6.833 1.00 1.10 C ATOM 174 C PRO A 12 -7.391 -14.437 5.346 1.00 0.94 C ATOM 175 O PRO A 12 -6.766 -15.355 4.823 1.00 1.08 O ATOM 176 CB PRO A 12 -8.240 -14.784 7.703 1.00 1.29 C ATOM 177 CG PRO A 12 -9.355 -13.744 7.793 1.00 1.25 C ATOM 178 CD PRO A 12 -8.596 -12.417 7.783 1.00 1.16 C ATOM 0 HA PRO A 12 -6.168 -14.452 7.053 1.00 1.10 H new ATOM 0 HB2 PRO A 12 -8.594 -15.712 7.253 1.00 1.29 H new ATOM 0 HB3 PRO A 12 -7.848 -15.037 8.688 1.00 1.29 H new ATOM 0 HG2 PRO A 12 -10.045 -13.820 6.953 1.00 1.25 H new ATOM 0 HG3 PRO A 12 -9.945 -13.864 8.702 1.00 1.25 H new ATOM 0 HD2 PRO A 12 -9.160 -11.650 7.253 1.00 1.16 H new ATOM 0 HD3 PRO A 12 -8.436 -12.052 8.798 1.00 1.16 H new ATOM 186 N GLY A 13 -8.272 -13.686 4.677 1.00 0.78 N ATOM 187 CA GLY A 13 -8.693 -13.892 3.292 1.00 0.73 C ATOM 188 C GLY A 13 -10.140 -13.433 3.065 1.00 0.77 C ATOM 189 O GLY A 13 -10.799 -13.021 4.023 1.00 0.89 O ATOM 0 H GLY A 13 -8.730 -12.883 5.108 1.00 0.78 H new ATOM 0 HA2 GLY A 13 -8.028 -13.344 2.624 1.00 0.73 H new ATOM 0 HA3 GLY A 13 -8.602 -14.948 3.037 1.00 0.73 H new ATOM 193 N PRO A 14 -10.655 -13.483 1.818 1.00 0.79 N ATOM 194 CA PRO A 14 -9.949 -13.880 0.598 1.00 0.82 C ATOM 195 C PRO A 14 -8.967 -12.804 0.108 1.00 0.84 C ATOM 196 O PRO A 14 -8.157 -13.078 -0.776 1.00 0.98 O ATOM 197 CB PRO A 14 -11.062 -14.111 -0.431 1.00 0.95 C ATOM 198 CG PRO A 14 -12.131 -13.099 -0.021 1.00 0.99 C ATOM 199 CD PRO A 14 -12.025 -13.096 1.503 1.00 0.91 C ATOM 0 HA PRO A 14 -9.335 -14.765 0.767 1.00 0.82 H new ATOM 0 HB2 PRO A 14 -10.712 -13.937 -1.449 1.00 0.95 H new ATOM 0 HB3 PRO A 14 -11.439 -15.133 -0.394 1.00 0.95 H new ATOM 0 HG2 PRO A 14 -11.937 -12.113 -0.442 1.00 0.99 H new ATOM 0 HG3 PRO A 14 -13.123 -13.400 -0.357 1.00 0.99 H new ATOM 0 HD2 PRO A 14 -12.253 -12.110 1.907 1.00 0.91 H new ATOM 0 HD3 PRO A 14 -12.737 -13.793 1.944 1.00 0.91 H new ATOM 207 N ASN A 15 -9.012 -11.597 0.683 1.00 0.82 N ATOM 208 CA ASN A 15 -8.144 -10.474 0.360 1.00 0.83 C ATOM 209 C ASN A 15 -7.778 -9.646 1.598 1.00 0.73 C ATOM 210 O ASN A 15 -8.414 -9.720 2.648 1.00 0.92 O ATOM 211 CB ASN A 15 -8.792 -9.612 -0.732 1.00 1.18 C ATOM 212 CG ASN A 15 -9.995 -8.824 -0.259 1.00 1.41 C ATOM 213 OD1 ASN A 15 -11.116 -9.304 -0.284 1.00 2.39 O ATOM 214 ND2 ASN A 15 -9.787 -7.596 0.178 1.00 1.97 N ATOM 0 H ASN A 15 -9.685 -11.373 1.416 1.00 0.82 H new ATOM 0 HA ASN A 15 -7.204 -10.872 -0.023 1.00 0.83 H new ATOM 0 HB2 ASN A 15 -8.047 -8.919 -1.124 1.00 1.18 H new ATOM 0 HB3 ASN A 15 -9.094 -10.256 -1.558 1.00 1.18 H new ATOM 0 HD21 ASN A 15 -10.571 -7.031 0.503 1.00 1.97 H new ATOM 0 HD22 ASN A 15 -8.842 -7.213 0.191 1.00 1.97 H new ATOM 221 N ALA A 16 -6.729 -8.842 1.447 1.00 0.62 N ATOM 222 CA ALA A 16 -6.123 -8.000 2.487 1.00 0.54 C ATOM 223 C ALA A 16 -5.980 -6.538 2.022 1.00 0.52 C ATOM 224 O ALA A 16 -6.363 -6.196 0.901 1.00 0.52 O ATOM 225 CB ALA A 16 -4.769 -8.610 2.886 1.00 0.50 C ATOM 0 H ALA A 16 -6.250 -8.752 0.551 1.00 0.62 H new ATOM 0 HA ALA A 16 -6.775 -7.976 3.360 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -4.306 -7.995 3.658 1.00 0.50 H new ATOM 0 HB2 ALA A 16 -4.923 -9.619 3.269 1.00 0.50 H new ATOM 0 HB3 ALA A 16 -4.116 -8.649 2.014 1.00 0.50 H new ATOM 231 N ALA A 17 -5.395 -5.683 2.869 1.00 0.60 N ATOM 232 CA ALA A 17 -4.819 -4.394 2.480 1.00 0.54 C ATOM 233 C ALA A 17 -3.314 -4.344 2.838 1.00 0.63 C ATOM 234 O ALA A 17 -2.855 -5.145 3.654 1.00 0.92 O ATOM 235 CB ALA A 17 -5.573 -3.268 3.205 1.00 0.49 C ATOM 0 H ALA A 17 -5.308 -5.874 3.867 1.00 0.60 H new ATOM 0 HA ALA A 17 -4.917 -4.266 1.402 1.00 0.54 H new ATOM 0 HB1 ALA A 17 -5.150 -2.305 2.920 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -6.627 -3.298 2.927 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -5.478 -3.402 4.283 1.00 0.49 H new ATOM 241 N ALA A 18 -2.568 -3.364 2.328 1.00 0.58 N ATOM 242 CA ALA A 18 -1.207 -3.037 2.763 1.00 0.61 C ATOM 243 C ALA A 18 -0.960 -1.518 2.747 1.00 0.66 C ATOM 244 O ALA A 18 -1.478 -0.800 1.893 1.00 0.72 O ATOM 245 CB ALA A 18 -0.191 -3.798 1.899 1.00 0.61 C ATOM 0 H ALA A 18 -2.902 -2.757 1.579 1.00 0.58 H new ATOM 0 HA ALA A 18 -1.080 -3.356 3.798 1.00 0.61 H new ATOM 0 HB1 ALA A 18 0.820 -3.553 2.225 1.00 0.61 H new ATOM 0 HB2 ALA A 18 -0.356 -4.870 2.003 1.00 0.61 H new ATOM 0 HB3 ALA A 18 -0.315 -3.512 0.855 1.00 0.61 H new ATOM 251 N TYR A 19 -0.144 -1.051 3.689 1.00 0.71 N ATOM 252 CA TYR A 19 0.186 0.349 3.973 1.00 0.78 C ATOM 253 C TYR A 19 1.716 0.514 4.001 1.00 0.82 C ATOM 254 O TYR A 19 2.328 0.450 5.067 1.00 1.16 O ATOM 255 CB TYR A 19 -0.411 0.709 5.347 1.00 0.86 C ATOM 256 CG TYR A 19 -1.897 0.995 5.388 1.00 1.22 C ATOM 257 CD1 TYR A 19 -2.368 2.180 4.807 1.00 2.87 C ATOM 258 CD2 TYR A 19 -2.785 0.175 6.112 1.00 1.59 C ATOM 259 CE1 TYR A 19 -3.700 2.587 4.979 1.00 3.39 C ATOM 260 CE2 TYR A 19 -4.133 0.561 6.266 1.00 1.76 C ATOM 261 CZ TYR A 19 -4.596 1.767 5.693 1.00 2.29 C ATOM 262 OH TYR A 19 -5.892 2.142 5.845 1.00 2.85 O ATOM 0 H TYR A 19 0.341 -1.686 4.322 1.00 0.71 H new ATOM 0 HA TYR A 19 -0.223 1.007 3.206 1.00 0.78 H new ATOM 0 HB2 TYR A 19 -0.203 -0.111 6.034 1.00 0.86 H new ATOM 0 HB3 TYR A 19 0.115 1.585 5.728 1.00 0.86 H new ATOM 0 HD1 TYR A 19 -1.697 2.788 4.219 1.00 2.87 H new ATOM 0 HD2 TYR A 19 -2.434 -0.748 6.549 1.00 1.59 H new ATOM 0 HE1 TYR A 19 -4.037 3.526 4.565 1.00 3.39 H new ATOM 0 HE2 TYR A 19 -4.813 -0.067 6.823 1.00 1.76 H new ATOM 0 HH TYR A 19 -6.091 2.885 5.237 1.00 2.85 H new ATOM 272 N LEU A 20 2.357 0.642 2.833 1.00 1.02 N ATOM 273 CA LEU A 20 3.825 0.607 2.716 1.00 1.02 C ATOM 274 C LEU A 20 4.497 1.995 2.636 1.00 0.87 C ATOM 275 O LEU A 20 3.865 2.992 2.274 1.00 0.76 O ATOM 276 CB LEU A 20 4.206 -0.366 1.591 1.00 1.14 C ATOM 277 CG LEU A 20 3.814 0.090 0.169 1.00 1.16 C ATOM 278 CD1 LEU A 20 4.985 0.776 -0.538 1.00 1.71 C ATOM 279 CD2 LEU A 20 3.362 -1.133 -0.636 1.00 1.50 C ATOM 0 H LEU A 20 1.877 0.773 1.943 1.00 1.02 H new ATOM 0 HA LEU A 20 4.239 0.225 3.649 1.00 1.02 H new ATOM 0 HB2 LEU A 20 5.284 -0.526 1.620 1.00 1.14 H new ATOM 0 HB3 LEU A 20 3.735 -1.329 1.790 1.00 1.14 H new ATOM 0 HG LEU A 20 3.002 0.813 0.243 1.00 1.16 H new ATOM 0 HD11 LEU A 20 4.676 1.085 -1.537 1.00 1.71 H new ATOM 0 HD12 LEU A 20 5.293 1.651 0.034 1.00 1.71 H new ATOM 0 HD13 LEU A 20 5.821 0.081 -0.615 1.00 1.71 H new ATOM 0 HD21 LEU A 20 3.082 -0.823 -1.643 1.00 1.50 H new ATOM 0 HD22 LEU A 20 4.178 -1.854 -0.692 1.00 1.50 H new ATOM 0 HD23 LEU A 20 2.504 -1.594 -0.147 1.00 1.50 H new ATOM 291 N THR A 21 5.797 2.015 2.957 1.00 0.97 N ATOM 292 CA THR A 21 6.689 3.184 2.911 1.00 0.92 C ATOM 293 C THR A 21 7.968 2.813 2.171 1.00 1.24 C ATOM 294 O THR A 21 8.392 1.659 2.223 1.00 1.60 O ATOM 295 CB THR A 21 6.994 3.683 4.326 1.00 1.19 C ATOM 296 OG1 THR A 21 5.775 4.054 4.925 1.00 1.79 O ATOM 297 CG2 THR A 21 7.954 4.876 4.413 1.00 1.43 C ATOM 0 H THR A 21 6.281 1.174 3.272 1.00 0.97 H new ATOM 0 HA THR A 21 6.196 3.996 2.376 1.00 0.92 H new ATOM 0 HB THR A 21 7.498 2.861 4.834 1.00 1.19 H new ATOM 0 HG1 THR A 21 5.728 3.680 5.830 1.00 1.79 H new ATOM 0 HG21 THR A 21 8.102 5.149 5.458 1.00 1.43 H new ATOM 0 HG22 THR A 21 8.912 4.605 3.970 1.00 1.43 H new ATOM 0 HG23 THR A 21 7.531 5.723 3.873 1.00 1.43 H new ATOM 305 N LEU A 22 8.571 3.811 1.531 1.00 1.60 N ATOM 306 CA LEU A 22 9.873 3.832 0.864 1.00 2.34 C ATOM 307 C LEU A 22 10.422 5.268 0.944 1.00 1.90 C ATOM 308 O LEU A 22 9.704 6.200 1.319 1.00 1.69 O ATOM 309 CB LEU A 22 9.711 3.412 -0.623 1.00 3.19 C ATOM 310 CG LEU A 22 10.478 2.166 -1.087 1.00 4.33 C ATOM 311 CD1 LEU A 22 11.999 2.293 -0.917 1.00 4.93 C ATOM 312 CD2 LEU A 22 9.947 0.906 -0.404 1.00 5.09 C ATOM 0 H LEU A 22 8.114 4.720 1.458 1.00 1.60 H new ATOM 0 HA LEU A 22 10.558 3.135 1.347 1.00 2.34 H new ATOM 0 HB2 LEU A 22 8.651 3.247 -0.814 1.00 3.19 H new ATOM 0 HB3 LEU A 22 10.020 4.251 -1.247 1.00 3.19 H new ATOM 0 HG LEU A 22 10.299 2.079 -2.159 1.00 4.33 H new ATOM 0 HD11 LEU A 22 12.481 1.379 -1.263 1.00 4.93 H new ATOM 0 HD12 LEU A 22 12.361 3.139 -1.502 1.00 4.93 H new ATOM 0 HD13 LEU A 22 12.236 2.452 0.135 1.00 4.93 H new ATOM 0 HD21 LEU A 22 10.509 0.039 -0.752 1.00 5.09 H new ATOM 0 HD22 LEU A 22 10.060 1.002 0.676 1.00 5.09 H new ATOM 0 HD23 LEU A 22 8.893 0.777 -0.648 1.00 5.09 H new ATOM 324 N GLU A 23 11.650 5.467 0.467 1.00 1.83 N ATOM 325 CA GLU A 23 12.182 6.794 0.159 1.00 1.39 C ATOM 326 C GLU A 23 12.445 6.931 -1.337 1.00 1.18 C ATOM 327 O GLU A 23 12.847 5.968 -1.991 1.00 1.52 O ATOM 328 CB GLU A 23 13.495 7.049 0.918 1.00 1.79 C ATOM 329 CG GLU A 23 13.330 7.150 2.441 1.00 2.83 C ATOM 330 CD GLU A 23 12.591 8.418 2.880 1.00 3.76 C ATOM 331 OE1 GLU A 23 12.073 9.157 2.017 1.00 4.68 O ATOM 332 OE2 GLU A 23 12.524 8.640 4.108 1.00 4.56 O ATOM 0 H GLU A 23 12.307 4.709 0.282 1.00 1.83 H new ATOM 0 HA GLU A 23 11.437 7.527 0.470 1.00 1.39 H new ATOM 0 HB2 GLU A 23 14.195 6.245 0.692 1.00 1.79 H new ATOM 0 HB3 GLU A 23 13.941 7.973 0.550 1.00 1.79 H new ATOM 0 HG2 GLU A 23 12.787 6.276 2.801 1.00 2.83 H new ATOM 0 HG3 GLU A 23 14.314 7.129 2.910 1.00 2.83 H new ATOM 339 N ASN A 24 12.272 8.147 -1.862 1.00 0.87 N ATOM 340 CA ASN A 24 12.798 8.549 -3.168 1.00 0.81 C ATOM 341 C ASN A 24 14.087 9.377 -2.982 1.00 0.97 C ATOM 342 O ASN A 24 14.017 10.607 -2.895 1.00 1.06 O ATOM 343 CB ASN A 24 11.766 9.359 -3.968 1.00 0.74 C ATOM 344 CG ASN A 24 12.324 9.737 -5.337 1.00 0.77 C ATOM 345 OD1 ASN A 24 13.287 9.158 -5.823 1.00 1.36 O ATOM 346 ND2 ASN A 24 11.753 10.729 -5.986 1.00 0.98 N ATOM 0 H ASN A 24 11.757 8.888 -1.386 1.00 0.87 H new ATOM 0 HA ASN A 24 13.022 7.644 -3.732 1.00 0.81 H new ATOM 0 HB2 ASN A 24 10.853 8.776 -4.090 1.00 0.74 H new ATOM 0 HB3 ASN A 24 11.497 10.260 -3.417 1.00 0.74 H new ATOM 0 HD21 ASN A 24 12.113 11.017 -6.896 1.00 0.98 H new ATOM 0 HD22 ASN A 24 10.951 11.210 -5.579 1.00 0.98 H new ATOM 353 N PRO A 25 15.278 8.754 -2.964 1.00 1.24 N ATOM 354 CA PRO A 25 16.546 9.474 -2.852 1.00 1.51 C ATOM 355 C PRO A 25 16.969 10.198 -4.141 1.00 1.47 C ATOM 356 O PRO A 25 17.985 10.893 -4.114 1.00 1.62 O ATOM 357 CB PRO A 25 17.566 8.396 -2.460 1.00 1.85 C ATOM 358 CG PRO A 25 17.011 7.145 -3.142 1.00 1.79 C ATOM 359 CD PRO A 25 15.510 7.317 -2.965 1.00 1.46 C ATOM 0 HA PRO A 25 16.465 10.278 -2.120 1.00 1.51 H new ATOM 0 HB2 PRO A 25 18.568 8.639 -2.813 1.00 1.85 H new ATOM 0 HB3 PRO A 25 17.630 8.273 -1.379 1.00 1.85 H new ATOM 0 HG2 PRO A 25 17.293 7.096 -4.194 1.00 1.79 H new ATOM 0 HG3 PRO A 25 17.374 6.231 -2.672 1.00 1.79 H new ATOM 0 HD2 PRO A 25 14.962 6.832 -3.773 1.00 1.46 H new ATOM 0 HD3 PRO A 25 15.171 6.865 -2.033 1.00 1.46 H new ATOM 367 N GLY A 26 16.245 10.046 -5.260 1.00 1.32 N ATOM 368 CA GLY A 26 16.628 10.588 -6.557 1.00 1.26 C ATOM 369 C GLY A 26 16.282 12.061 -6.734 1.00 1.30 C ATOM 370 O GLY A 26 15.726 12.724 -5.862 1.00 1.64 O ATOM 0 H GLY A 26 15.364 9.533 -5.281 1.00 1.32 H new ATOM 0 HA2 GLY A 26 17.702 10.458 -6.692 1.00 1.26 H new ATOM 0 HA3 GLY A 26 16.136 10.012 -7.341 1.00 1.26 H new ATOM 374 N ASP A 27 16.657 12.561 -7.900 1.00 1.26 N ATOM 375 CA ASP A 27 16.645 13.962 -8.309 1.00 1.63 C ATOM 376 C ASP A 27 15.564 14.248 -9.369 1.00 1.53 C ATOM 377 O ASP A 27 15.344 15.386 -9.779 1.00 1.77 O ATOM 378 CB ASP A 27 18.055 14.224 -8.836 1.00 1.97 C ATOM 379 CG ASP A 27 19.059 14.185 -7.683 1.00 2.43 C ATOM 380 OD1 ASP A 27 19.549 13.080 -7.356 1.00 2.51 O ATOM 381 OD2 ASP A 27 19.212 15.201 -6.975 1.00 3.49 O ATOM 0 H ASP A 27 17.004 11.955 -8.643 1.00 1.26 H new ATOM 0 HA ASP A 27 16.393 14.625 -7.481 1.00 1.63 H new ATOM 0 HB2 ASP A 27 18.318 13.476 -9.584 1.00 1.97 H new ATOM 0 HB3 ASP A 27 18.093 15.195 -9.330 1.00 1.97 H new ATOM 386 N LEU A 28 14.846 13.192 -9.756 1.00 1.22 N ATOM 387 CA LEU A 28 13.677 13.180 -10.631 1.00 1.09 C ATOM 388 C LEU A 28 12.430 12.677 -9.868 1.00 1.08 C ATOM 389 O LEU A 28 12.577 12.023 -8.828 1.00 1.18 O ATOM 390 CB LEU A 28 14.051 12.374 -11.891 1.00 1.07 C ATOM 391 CG LEU A 28 14.388 10.879 -11.700 1.00 1.91 C ATOM 392 CD1 LEU A 28 13.138 9.986 -11.663 1.00 2.91 C ATOM 393 CD2 LEU A 28 15.282 10.401 -12.855 1.00 2.52 C ATOM 0 H LEU A 28 15.087 12.252 -9.441 1.00 1.22 H new ATOM 0 HA LEU A 28 13.395 14.181 -10.959 1.00 1.09 H new ATOM 0 HB2 LEU A 28 13.223 12.446 -12.596 1.00 1.07 H new ATOM 0 HB3 LEU A 28 14.910 12.857 -12.358 1.00 1.07 H new ATOM 0 HG LEU A 28 14.896 10.793 -10.739 1.00 1.91 H new ATOM 0 HD11 LEU A 28 13.437 8.947 -11.527 1.00 2.91 H new ATOM 0 HD12 LEU A 28 12.498 10.291 -10.835 1.00 2.91 H new ATOM 0 HD13 LEU A 28 12.591 10.086 -12.601 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.519 9.346 -12.719 1.00 2.52 H new ATOM 0 HD22 LEU A 28 14.758 10.536 -13.801 1.00 2.52 H new ATOM 0 HD23 LEU A 28 16.204 10.982 -12.865 1.00 2.52 H new ATOM 405 N PRO A 29 11.205 12.974 -10.345 1.00 1.03 N ATOM 406 CA PRO A 29 9.981 12.594 -9.653 1.00 1.02 C ATOM 407 C PRO A 29 9.659 11.115 -9.880 1.00 0.94 C ATOM 408 O PRO A 29 9.810 10.587 -10.984 1.00 1.01 O ATOM 409 CB PRO A 29 8.896 13.525 -10.200 1.00 1.04 C ATOM 410 CG PRO A 29 9.367 13.811 -11.625 1.00 1.01 C ATOM 411 CD PRO A 29 10.894 13.745 -11.540 1.00 1.03 C ATOM 0 HA PRO A 29 10.068 12.701 -8.572 1.00 1.02 H new ATOM 0 HB2 PRO A 29 7.915 13.051 -10.188 1.00 1.04 H new ATOM 0 HB3 PRO A 29 8.815 14.439 -9.611 1.00 1.04 H new ATOM 0 HG2 PRO A 29 8.976 13.076 -12.328 1.00 1.01 H new ATOM 0 HG3 PRO A 29 9.030 14.790 -11.966 1.00 1.01 H new ATOM 0 HD2 PRO A 29 11.312 13.271 -12.428 1.00 1.03 H new ATOM 0 HD3 PRO A 29 11.323 14.745 -11.480 1.00 1.03 H new ATOM 419 N LEU A 30 9.197 10.462 -8.809 1.00 0.88 N ATOM 420 CA LEU A 30 8.747 9.072 -8.783 1.00 0.82 C ATOM 421 C LEU A 30 7.223 8.992 -8.732 1.00 0.73 C ATOM 422 O LEU A 30 6.521 9.904 -8.304 1.00 0.81 O ATOM 423 CB LEU A 30 9.359 8.335 -7.575 1.00 0.98 C ATOM 424 CG LEU A 30 10.690 7.611 -7.837 1.00 0.91 C ATOM 425 CD1 LEU A 30 10.509 6.227 -8.460 1.00 2.02 C ATOM 426 CD2 LEU A 30 11.699 8.400 -8.680 1.00 2.61 C ATOM 0 H LEU A 30 9.124 10.911 -7.896 1.00 0.88 H new ATOM 0 HA LEU A 30 9.084 8.589 -9.700 1.00 0.82 H new ATOM 0 HB2 LEU A 30 9.511 9.057 -6.772 1.00 0.98 H new ATOM 0 HB3 LEU A 30 8.635 7.605 -7.214 1.00 0.98 H new ATOM 0 HG LEU A 30 11.105 7.509 -6.834 1.00 0.91 H new ATOM 0 HD11 LEU A 30 11.485 5.769 -8.620 1.00 2.02 H new ATOM 0 HD12 LEU A 30 9.920 5.601 -7.790 1.00 2.02 H new ATOM 0 HD13 LEU A 30 9.993 6.323 -9.415 1.00 2.02 H new ATOM 0 HD21 LEU A 30 12.605 7.808 -8.811 1.00 2.61 H new ATOM 0 HD22 LEU A 30 11.265 8.620 -9.655 1.00 2.61 H new ATOM 0 HD23 LEU A 30 11.945 9.333 -8.174 1.00 2.61 H new ATOM 438 N ARG A 31 6.735 7.824 -9.137 1.00 0.76 N ATOM 439 CA ARG A 31 5.307 7.589 -9.402 1.00 0.65 C ATOM 440 C ARG A 31 4.956 6.116 -9.253 1.00 0.63 C ATOM 441 O ARG A 31 5.411 5.301 -10.055 1.00 0.69 O ATOM 442 CB ARG A 31 4.951 8.085 -10.814 1.00 0.62 C ATOM 443 CG ARG A 31 3.428 8.137 -11.030 1.00 0.61 C ATOM 444 CD ARG A 31 3.034 8.776 -12.367 1.00 0.59 C ATOM 445 NE ARG A 31 3.331 10.216 -12.377 1.00 0.98 N ATOM 446 CZ ARG A 31 3.205 11.072 -13.379 1.00 1.06 C ATOM 447 NH1 ARG A 31 2.809 10.697 -14.580 1.00 1.73 N ATOM 448 NH2 ARG A 31 3.491 12.334 -13.175 1.00 1.73 N ATOM 0 H ARG A 31 7.319 7.002 -9.294 1.00 0.76 H new ATOM 0 HA ARG A 31 4.724 8.146 -8.669 1.00 0.65 H new ATOM 0 HB2 ARG A 31 5.375 9.077 -10.969 1.00 0.62 H new ATOM 0 HB3 ARG A 31 5.402 7.426 -11.556 1.00 0.62 H new ATOM 0 HG2 ARG A 31 3.025 7.125 -10.985 1.00 0.61 H new ATOM 0 HG3 ARG A 31 2.970 8.699 -10.216 1.00 0.61 H new ATOM 0 HD2 ARG A 31 3.571 8.286 -13.179 1.00 0.59 H new ATOM 0 HD3 ARG A 31 1.970 8.620 -12.548 1.00 0.59 H new ATOM 0 HE ARG A 31 3.678 10.605 -11.500 1.00 0.98 H new ATOM 0 HH11 ARG A 31 2.588 9.718 -14.761 1.00 1.73 H new ATOM 0 HH12 ARG A 31 2.724 11.386 -15.327 1.00 1.73 H new ATOM 0 HH21 ARG A 31 3.805 12.644 -12.255 1.00 1.73 H new ATOM 0 HH22 ARG A 31 3.400 13.007 -13.936 1.00 1.73 H new ATOM 462 N LEU A 32 4.188 5.772 -8.224 1.00 0.59 N ATOM 463 CA LEU A 32 3.882 4.405 -7.804 1.00 0.57 C ATOM 464 C LEU A 32 2.543 3.982 -8.408 1.00 0.48 C ATOM 465 O LEU A 32 1.502 4.475 -7.987 1.00 0.50 O ATOM 466 CB LEU A 32 3.879 4.412 -6.266 1.00 0.62 C ATOM 467 CG LEU A 32 3.613 3.060 -5.579 1.00 0.78 C ATOM 468 CD1 LEU A 32 4.603 1.974 -6.018 1.00 1.75 C ATOM 469 CD2 LEU A 32 3.723 3.254 -4.062 1.00 2.53 C ATOM 0 H LEU A 32 3.740 6.471 -7.631 1.00 0.59 H new ATOM 0 HA LEU A 32 4.616 3.678 -8.153 1.00 0.57 H new ATOM 0 HB2 LEU A 32 4.844 4.786 -5.924 1.00 0.62 H new ATOM 0 HB3 LEU A 32 3.124 5.122 -5.928 1.00 0.62 H new ATOM 0 HG LEU A 32 2.616 2.728 -5.867 1.00 0.78 H new ATOM 0 HD11 LEU A 32 4.371 1.041 -5.504 1.00 1.75 H new ATOM 0 HD12 LEU A 32 4.525 1.824 -7.095 1.00 1.75 H new ATOM 0 HD13 LEU A 32 5.618 2.284 -5.767 1.00 1.75 H new ATOM 0 HD21 LEU A 32 3.537 2.305 -3.559 1.00 2.53 H new ATOM 0 HD22 LEU A 32 4.723 3.607 -3.812 1.00 2.53 H new ATOM 0 HD23 LEU A 32 2.987 3.988 -3.735 1.00 2.53 H new ATOM 481 N VAL A 33 2.577 3.097 -9.402 1.00 0.43 N ATOM 482 CA VAL A 33 1.411 2.760 -10.243 1.00 0.38 C ATOM 483 C VAL A 33 0.803 1.393 -9.883 1.00 0.36 C ATOM 484 O VAL A 33 -0.349 1.121 -10.214 1.00 0.45 O ATOM 485 CB VAL A 33 1.765 2.814 -11.756 1.00 0.48 C ATOM 486 CG1 VAL A 33 2.415 4.153 -12.166 1.00 0.64 C ATOM 487 CG2 VAL A 33 2.721 1.697 -12.226 1.00 0.48 C ATOM 0 H VAL A 33 3.421 2.583 -9.656 1.00 0.43 H new ATOM 0 HA VAL A 33 0.656 3.519 -10.037 1.00 0.38 H new ATOM 0 HB VAL A 33 0.795 2.684 -12.237 1.00 0.48 H new ATOM 0 HG11 VAL A 33 2.641 4.136 -13.232 1.00 0.64 H new ATOM 0 HG12 VAL A 33 1.727 4.971 -11.954 1.00 0.64 H new ATOM 0 HG13 VAL A 33 3.336 4.298 -11.602 1.00 0.64 H new ATOM 0 HG21 VAL A 33 2.915 1.809 -13.293 1.00 0.48 H new ATOM 0 HG22 VAL A 33 3.660 1.767 -11.677 1.00 0.48 H new ATOM 0 HG23 VAL A 33 2.264 0.725 -12.041 1.00 0.48 H new ATOM 497 N GLY A 34 1.588 0.514 -9.242 1.00 0.38 N ATOM 498 CA GLY A 34 1.191 -0.840 -8.857 1.00 0.40 C ATOM 499 C GLY A 34 2.064 -1.441 -7.757 1.00 0.39 C ATOM 500 O GLY A 34 3.000 -0.817 -7.253 1.00 0.48 O ATOM 0 H GLY A 34 2.546 0.737 -8.971 1.00 0.38 H new ATOM 0 HA2 GLY A 34 0.155 -0.824 -8.520 1.00 0.40 H new ATOM 0 HA3 GLY A 34 1.231 -1.485 -9.735 1.00 0.40 H new ATOM 504 N ALA A 35 1.770 -2.699 -7.436 1.00 0.41 N ATOM 505 CA ALA A 35 2.564 -3.561 -6.562 1.00 0.41 C ATOM 506 C ALA A 35 2.514 -5.033 -7.019 1.00 0.45 C ATOM 507 O ALA A 35 1.854 -5.366 -8.006 1.00 0.50 O ATOM 508 CB ALA A 35 2.082 -3.377 -5.115 1.00 0.42 C ATOM 0 H ALA A 35 0.936 -3.166 -7.793 1.00 0.41 H new ATOM 0 HA ALA A 35 3.613 -3.272 -6.618 1.00 0.41 H new ATOM 0 HB1 ALA A 35 2.667 -4.015 -4.453 1.00 0.42 H new ATOM 0 HB2 ALA A 35 2.208 -2.335 -4.819 1.00 0.42 H new ATOM 0 HB3 ALA A 35 1.029 -3.650 -5.045 1.00 0.42 H new ATOM 514 N ARG A 36 3.183 -5.925 -6.281 1.00 0.51 N ATOM 515 CA ARG A 36 3.056 -7.388 -6.371 1.00 0.51 C ATOM 516 C ARG A 36 3.544 -7.992 -5.051 1.00 0.49 C ATOM 517 O ARG A 36 4.367 -7.388 -4.379 1.00 0.60 O ATOM 518 CB ARG A 36 3.797 -7.917 -7.626 1.00 0.59 C ATOM 519 CG ARG A 36 4.410 -9.319 -7.473 1.00 1.94 C ATOM 520 CD ARG A 36 5.141 -9.818 -8.728 1.00 2.19 C ATOM 521 NE ARG A 36 4.226 -10.149 -9.843 1.00 2.23 N ATOM 522 CZ ARG A 36 3.358 -11.158 -9.890 1.00 3.04 C ATOM 523 NH1 ARG A 36 3.198 -11.990 -8.880 1.00 3.86 N ATOM 524 NH2 ARG A 36 2.629 -11.344 -10.970 1.00 3.99 N ATOM 0 H ARG A 36 3.858 -5.637 -5.573 1.00 0.51 H new ATOM 0 HA ARG A 36 2.018 -7.692 -6.505 1.00 0.51 H new ATOM 0 HB2 ARG A 36 3.099 -7.931 -8.463 1.00 0.59 H new ATOM 0 HB3 ARG A 36 4.590 -7.216 -7.884 1.00 0.59 H new ATOM 0 HG2 ARG A 36 5.109 -9.310 -6.637 1.00 1.94 H new ATOM 0 HG3 ARG A 36 3.619 -10.025 -7.220 1.00 1.94 H new ATOM 0 HD2 ARG A 36 5.845 -9.054 -9.059 1.00 2.19 H new ATOM 0 HD3 ARG A 36 5.726 -10.701 -8.473 1.00 2.19 H new ATOM 0 HE ARG A 36 4.264 -9.541 -10.661 1.00 2.23 H new ATOM 0 HH11 ARG A 36 3.748 -11.871 -8.029 1.00 3.86 H new ATOM 0 HH12 ARG A 36 2.524 -12.753 -8.949 1.00 3.86 H new ATOM 0 HH21 ARG A 36 2.730 -10.716 -11.768 1.00 3.99 H new ATOM 0 HH22 ARG A 36 1.963 -12.116 -11.009 1.00 3.99 H new ATOM 538 N THR A 37 3.089 -9.187 -4.677 1.00 0.59 N ATOM 539 CA THR A 37 3.508 -9.918 -3.466 1.00 0.55 C ATOM 540 C THR A 37 3.222 -11.408 -3.667 1.00 0.59 C ATOM 541 O THR A 37 2.326 -11.720 -4.457 1.00 0.61 O ATOM 542 CB THR A 37 2.810 -9.337 -2.225 1.00 0.63 C ATOM 543 OG1 THR A 37 3.109 -10.082 -1.074 1.00 0.73 O ATOM 544 CG2 THR A 37 1.283 -9.320 -2.319 1.00 0.77 C ATOM 0 H THR A 37 2.394 -9.697 -5.223 1.00 0.59 H new ATOM 0 HA THR A 37 4.579 -9.802 -3.298 1.00 0.55 H new ATOM 0 HB THR A 37 3.187 -8.316 -2.170 1.00 0.63 H new ATOM 0 HG1 THR A 37 3.949 -9.760 -0.685 1.00 0.73 H new ATOM 0 HG21 THR A 37 0.867 -8.896 -1.405 1.00 0.77 H new ATOM 0 HG22 THR A 37 0.978 -8.714 -3.172 1.00 0.77 H new ATOM 0 HG23 THR A 37 0.915 -10.338 -2.447 1.00 0.77 H new ATOM 552 N PRO A 38 3.945 -12.333 -3.005 1.00 0.64 N ATOM 553 CA PRO A 38 3.688 -13.762 -3.142 1.00 0.71 C ATOM 554 C PRO A 38 2.500 -14.250 -2.312 1.00 0.77 C ATOM 555 O PRO A 38 2.039 -15.362 -2.526 1.00 0.87 O ATOM 556 CB PRO A 38 4.992 -14.435 -2.728 1.00 0.73 C ATOM 557 CG PRO A 38 5.613 -13.475 -1.720 1.00 0.72 C ATOM 558 CD PRO A 38 5.151 -12.107 -2.217 1.00 0.67 C ATOM 0 HA PRO A 38 3.401 -14.009 -4.164 1.00 0.71 H new ATOM 0 HB2 PRO A 38 4.810 -15.414 -2.284 1.00 0.73 H new ATOM 0 HB3 PRO A 38 5.648 -14.590 -3.585 1.00 0.73 H new ATOM 0 HG2 PRO A 38 5.266 -13.674 -0.706 1.00 0.72 H new ATOM 0 HG3 PRO A 38 6.700 -13.553 -1.706 1.00 0.72 H new ATOM 0 HD2 PRO A 38 4.947 -11.440 -1.380 1.00 0.67 H new ATOM 0 HD3 PRO A 38 5.925 -11.633 -2.821 1.00 0.67 H new ATOM 566 N VAL A 39 1.989 -13.433 -1.387 1.00 0.78 N ATOM 567 CA VAL A 39 0.830 -13.765 -0.541 1.00 0.80 C ATOM 568 C VAL A 39 -0.495 -13.175 -1.032 1.00 0.69 C ATOM 569 O VAL A 39 -1.441 -13.058 -0.262 1.00 0.71 O ATOM 570 CB VAL A 39 1.101 -13.393 0.930 1.00 0.85 C ATOM 571 CG1 VAL A 39 2.349 -14.108 1.466 1.00 0.98 C ATOM 572 CG2 VAL A 39 1.247 -11.874 1.096 1.00 0.80 C ATOM 0 H VAL A 39 2.372 -12.507 -1.199 1.00 0.78 H new ATOM 0 HA VAL A 39 0.706 -14.845 -0.616 1.00 0.80 H new ATOM 0 HB VAL A 39 0.242 -13.724 1.513 1.00 0.85 H new ATOM 0 HG11 VAL A 39 2.513 -13.824 2.506 1.00 0.98 H new ATOM 0 HG12 VAL A 39 2.206 -15.187 1.402 1.00 0.98 H new ATOM 0 HG13 VAL A 39 3.216 -13.821 0.871 1.00 0.98 H new ATOM 0 HG21 VAL A 39 1.438 -11.639 2.143 1.00 0.80 H new ATOM 0 HG22 VAL A 39 2.079 -11.520 0.487 1.00 0.80 H new ATOM 0 HG23 VAL A 39 0.328 -11.383 0.775 1.00 0.80 H new ATOM 582 N ALA A 40 -0.584 -12.866 -2.323 1.00 0.65 N ATOM 583 CA ALA A 40 -1.809 -12.542 -3.055 1.00 0.59 C ATOM 584 C ALA A 40 -1.627 -12.999 -4.509 1.00 0.81 C ATOM 585 O ALA A 40 -0.522 -13.296 -4.952 1.00 1.18 O ATOM 586 CB ALA A 40 -2.056 -11.033 -2.959 1.00 0.53 C ATOM 0 H ALA A 40 0.242 -12.833 -2.921 1.00 0.65 H new ATOM 0 HA ALA A 40 -2.677 -13.051 -2.635 1.00 0.59 H new ATOM 0 HB1 ALA A 40 -2.967 -10.778 -3.501 1.00 0.53 H new ATOM 0 HB2 ALA A 40 -2.165 -10.748 -1.913 1.00 0.53 H new ATOM 0 HB3 ALA A 40 -1.213 -10.498 -3.395 1.00 0.53 H new ATOM 592 N GLU A 41 -2.720 -13.064 -5.250 1.00 0.76 N ATOM 593 CA GLU A 41 -2.747 -13.445 -6.662 1.00 0.98 C ATOM 594 C GLU A 41 -2.857 -12.234 -7.598 1.00 1.03 C ATOM 595 O GLU A 41 -2.259 -12.212 -8.674 1.00 1.32 O ATOM 596 CB GLU A 41 -3.955 -14.361 -6.837 1.00 1.11 C ATOM 597 CG GLU A 41 -3.886 -15.201 -8.104 1.00 1.39 C ATOM 598 CD GLU A 41 -5.088 -16.125 -8.085 1.00 1.83 C ATOM 599 OE1 GLU A 41 -5.030 -17.122 -7.337 1.00 2.81 O ATOM 600 OE2 GLU A 41 -6.101 -15.738 -8.707 1.00 2.82 O ATOM 0 H GLU A 41 -3.645 -12.847 -4.879 1.00 0.76 H new ATOM 0 HA GLU A 41 -1.814 -13.941 -6.928 1.00 0.98 H new ATOM 0 HB2 GLU A 41 -4.031 -15.022 -5.973 1.00 1.11 H new ATOM 0 HB3 GLU A 41 -4.862 -13.757 -6.857 1.00 1.11 H new ATOM 0 HG2 GLU A 41 -3.901 -14.566 -8.990 1.00 1.39 H new ATOM 0 HG3 GLU A 41 -2.959 -15.774 -8.138 1.00 1.39 H new ATOM 607 N ARG A 42 -3.606 -11.211 -7.172 1.00 0.91 N ATOM 608 CA ARG A 42 -3.703 -9.907 -7.810 1.00 1.05 C ATOM 609 C ARG A 42 -3.545 -8.840 -6.718 1.00 0.92 C ATOM 610 O ARG A 42 -3.429 -9.139 -5.530 1.00 1.34 O ATOM 611 CB ARG A 42 -5.023 -9.737 -8.611 1.00 1.25 C ATOM 612 CG ARG A 42 -5.590 -10.990 -9.313 1.00 1.84 C ATOM 613 CD ARG A 42 -6.535 -11.793 -8.399 1.00 3.03 C ATOM 614 NE ARG A 42 -6.912 -13.090 -8.989 1.00 4.32 N ATOM 615 CZ ARG A 42 -7.901 -13.360 -9.827 1.00 4.78 C ATOM 616 NH1 ARG A 42 -8.702 -12.428 -10.297 1.00 4.34 N ATOM 617 NH2 ARG A 42 -8.071 -14.613 -10.191 1.00 6.26 N ATOM 0 H ARG A 42 -4.185 -11.279 -6.335 1.00 0.91 H new ATOM 0 HA ARG A 42 -2.910 -9.800 -8.550 1.00 1.05 H new ATOM 0 HB2 ARG A 42 -5.785 -9.358 -7.930 1.00 1.25 H new ATOM 0 HB3 ARG A 42 -4.862 -8.970 -9.368 1.00 1.25 H new ATOM 0 HG2 ARG A 42 -6.127 -10.689 -10.212 1.00 1.84 H new ATOM 0 HG3 ARG A 42 -4.767 -11.629 -9.632 1.00 1.84 H new ATOM 0 HD2 ARG A 42 -6.051 -11.961 -7.437 1.00 3.03 H new ATOM 0 HD3 ARG A 42 -7.435 -11.208 -8.206 1.00 3.03 H new ATOM 0 HE ARG A 42 -6.334 -13.885 -8.715 1.00 4.32 H new ATOM 0 HH11 ARG A 42 -8.572 -11.456 -10.017 1.00 4.34 H new ATOM 0 HH12 ARG A 42 -9.452 -12.678 -10.941 1.00 4.34 H new ATOM 0 HH21 ARG A 42 -7.451 -15.338 -9.829 1.00 6.26 H new ATOM 0 HH22 ARG A 42 -8.822 -14.859 -10.835 1.00 6.26 H new ATOM 631 N VAL A 43 -3.558 -7.582 -7.114 1.00 0.61 N ATOM 632 CA VAL A 43 -3.481 -6.414 -6.235 1.00 0.59 C ATOM 633 C VAL A 43 -4.120 -5.226 -6.959 1.00 0.76 C ATOM 634 O VAL A 43 -4.102 -5.182 -8.190 1.00 1.08 O ATOM 635 CB VAL A 43 -2.027 -6.131 -5.801 1.00 0.57 C ATOM 636 CG1 VAL A 43 -1.119 -5.660 -6.943 1.00 0.71 C ATOM 637 CG2 VAL A 43 -1.922 -5.127 -4.644 1.00 0.74 C ATOM 0 H VAL A 43 -3.625 -7.327 -8.099 1.00 0.61 H new ATOM 0 HA VAL A 43 -4.031 -6.602 -5.313 1.00 0.59 H new ATOM 0 HB VAL A 43 -1.675 -7.105 -5.460 1.00 0.57 H new ATOM 0 HG11 VAL A 43 -0.114 -5.482 -6.559 1.00 0.71 H new ATOM 0 HG12 VAL A 43 -1.081 -6.426 -7.717 1.00 0.71 H new ATOM 0 HG13 VAL A 43 -1.515 -4.737 -7.365 1.00 0.71 H new ATOM 0 HG21 VAL A 43 -0.873 -4.974 -4.389 1.00 0.74 H new ATOM 0 HG22 VAL A 43 -2.365 -4.178 -4.945 1.00 0.74 H new ATOM 0 HG23 VAL A 43 -2.453 -5.516 -3.775 1.00 0.74 H new ATOM 647 N GLU A 44 -4.685 -4.298 -6.194 1.00 0.63 N ATOM 648 CA GLU A 44 -5.267 -3.024 -6.630 1.00 0.57 C ATOM 649 C GLU A 44 -4.718 -1.893 -5.749 1.00 0.52 C ATOM 650 O GLU A 44 -4.317 -2.136 -4.610 1.00 0.66 O ATOM 651 CB GLU A 44 -6.793 -3.052 -6.458 1.00 0.66 C ATOM 652 CG GLU A 44 -7.506 -4.059 -7.367 1.00 1.26 C ATOM 653 CD GLU A 44 -8.951 -4.300 -6.925 1.00 1.86 C ATOM 654 OE1 GLU A 44 -9.573 -3.334 -6.421 1.00 2.45 O ATOM 655 OE2 GLU A 44 -9.399 -5.457 -7.063 1.00 2.81 O ATOM 0 H GLU A 44 -4.756 -4.420 -5.184 1.00 0.63 H new ATOM 0 HA GLU A 44 -5.012 -2.864 -7.678 1.00 0.57 H new ATOM 0 HB2 GLU A 44 -7.027 -3.287 -5.420 1.00 0.66 H new ATOM 0 HB3 GLU A 44 -7.189 -2.056 -6.656 1.00 0.66 H new ATOM 0 HG2 GLU A 44 -7.496 -3.692 -8.393 1.00 1.26 H new ATOM 0 HG3 GLU A 44 -6.962 -5.003 -7.361 1.00 1.26 H new ATOM 662 N LEU A 45 -4.734 -0.655 -6.245 1.00 0.54 N ATOM 663 CA LEU A 45 -4.281 0.542 -5.524 1.00 0.53 C ATOM 664 C LEU A 45 -5.474 1.447 -5.180 1.00 0.49 C ATOM 665 O LEU A 45 -6.152 1.955 -6.073 1.00 0.51 O ATOM 666 CB LEU A 45 -3.229 1.251 -6.404 1.00 0.71 C ATOM 667 CG LEU A 45 -2.720 2.602 -5.868 1.00 0.49 C ATOM 668 CD1 LEU A 45 -2.062 2.515 -4.484 1.00 0.67 C ATOM 669 CD2 LEU A 45 -1.722 3.187 -6.872 1.00 0.84 C ATOM 0 H LEU A 45 -5.071 -0.448 -7.185 1.00 0.54 H new ATOM 0 HA LEU A 45 -3.822 0.276 -4.572 1.00 0.53 H new ATOM 0 HB2 LEU A 45 -2.376 0.584 -6.528 1.00 0.71 H new ATOM 0 HB3 LEU A 45 -3.656 1.410 -7.394 1.00 0.71 H new ATOM 0 HG LEU A 45 -3.593 3.244 -5.749 1.00 0.49 H new ATOM 0 HD11 LEU A 45 -1.730 3.506 -4.176 1.00 0.67 H new ATOM 0 HD12 LEU A 45 -2.783 2.133 -3.762 1.00 0.67 H new ATOM 0 HD13 LEU A 45 -1.205 1.843 -4.530 1.00 0.67 H new ATOM 0 HD21 LEU A 45 -1.354 4.145 -6.503 1.00 0.84 H new ATOM 0 HD22 LEU A 45 -0.885 2.500 -6.995 1.00 0.84 H new ATOM 0 HD23 LEU A 45 -2.216 3.333 -7.833 1.00 0.84 H new ATOM 681 N HIS A 46 -5.732 1.653 -3.886 1.00 0.51 N ATOM 682 CA HIS A 46 -6.871 2.411 -3.357 1.00 0.54 C ATOM 683 C HIS A 46 -6.450 3.611 -2.488 1.00 0.53 C ATOM 684 O HIS A 46 -5.416 3.613 -1.816 1.00 0.57 O ATOM 685 CB HIS A 46 -7.767 1.491 -2.504 1.00 0.63 C ATOM 686 CG HIS A 46 -8.439 0.312 -3.166 1.00 0.64 C ATOM 687 ND1 HIS A 46 -9.119 -0.681 -2.478 1.00 0.71 N ATOM 688 CD2 HIS A 46 -8.472 -0.018 -4.490 1.00 0.63 C ATOM 689 CE1 HIS A 46 -9.525 -1.587 -3.374 1.00 0.75 C ATOM 690 NE2 HIS A 46 -9.158 -1.213 -4.607 1.00 0.71 N ATOM 0 H HIS A 46 -5.131 1.283 -3.149 1.00 0.51 H new ATOM 0 HA HIS A 46 -7.408 2.794 -4.225 1.00 0.54 H new ATOM 0 HB2 HIS A 46 -7.160 1.107 -1.684 1.00 0.63 H new ATOM 0 HB3 HIS A 46 -8.547 2.109 -2.061 1.00 0.63 H new ATOM 0 HD2 HIS A 46 -8.040 0.551 -5.300 1.00 0.63 H new ATOM 0 HE1 HIS A 46 -10.070 -2.489 -3.138 1.00 0.75 H new ATOM 0 HE2 HIS A 46 -9.349 -1.717 -5.473 1.00 0.71 H new ATOM 698 N GLU A 47 -7.349 4.588 -2.431 1.00 0.54 N ATOM 699 CA GLU A 47 -7.440 5.552 -1.334 1.00 0.55 C ATOM 700 C GLU A 47 -8.479 5.088 -0.303 1.00 0.69 C ATOM 701 O GLU A 47 -9.451 4.412 -0.659 1.00 0.89 O ATOM 702 CB GLU A 47 -7.758 6.955 -1.884 1.00 0.53 C ATOM 703 CG GLU A 47 -9.252 7.236 -2.093 1.00 0.67 C ATOM 704 CD GLU A 47 -9.535 8.611 -2.693 1.00 0.89 C ATOM 705 OE1 GLU A 47 -8.776 9.081 -3.566 1.00 1.95 O ATOM 706 OE2 GLU A 47 -10.618 9.163 -2.397 1.00 1.79 O ATOM 0 H GLU A 47 -8.049 4.737 -3.158 1.00 0.54 H new ATOM 0 HA GLU A 47 -6.478 5.611 -0.824 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -7.354 7.700 -1.198 1.00 0.53 H new ATOM 0 HB3 GLU A 47 -7.241 7.084 -2.835 1.00 0.53 H new ATOM 0 HG2 GLU A 47 -9.670 6.470 -2.747 1.00 0.67 H new ATOM 0 HG3 GLU A 47 -9.767 7.153 -1.136 1.00 0.67 H new ATOM 713 N THR A 48 -8.316 5.527 0.947 1.00 0.82 N ATOM 714 CA THR A 48 -9.410 5.667 1.917 1.00 0.79 C ATOM 715 C THR A 48 -9.734 7.158 1.999 1.00 0.91 C ATOM 716 O THR A 48 -8.813 7.972 1.935 1.00 0.99 O ATOM 717 CB THR A 48 -8.952 5.195 3.293 1.00 0.70 C ATOM 718 OG1 THR A 48 -8.514 3.859 3.267 1.00 0.80 O ATOM 719 CG2 THR A 48 -10.018 5.274 4.388 1.00 0.78 C ATOM 0 H THR A 48 -7.407 5.800 1.322 1.00 0.82 H new ATOM 0 HA THR A 48 -10.273 5.076 1.611 1.00 0.79 H new ATOM 0 HB THR A 48 -8.146 5.888 3.534 1.00 0.70 H new ATOM 0 HG1 THR A 48 -7.539 3.836 3.175 1.00 0.80 H new ATOM 0 HG21 THR A 48 -9.600 4.918 5.329 1.00 0.78 H new ATOM 0 HG22 THR A 48 -10.345 6.307 4.504 1.00 0.78 H new ATOM 0 HG23 THR A 48 -10.870 4.653 4.112 1.00 0.78 H new ATOM 727 N PHE A 49 -11.001 7.519 2.204 1.00 0.94 N ATOM 728 CA PHE A 49 -11.438 8.903 2.399 1.00 0.94 C ATOM 729 C PHE A 49 -12.425 9.059 3.570 1.00 0.84 C ATOM 730 O PHE A 49 -12.874 8.095 4.186 1.00 0.80 O ATOM 731 CB PHE A 49 -12.004 9.465 1.077 1.00 1.01 C ATOM 732 CG PHE A 49 -13.277 8.821 0.546 1.00 1.01 C ATOM 733 CD1 PHE A 49 -14.525 9.210 1.072 1.00 1.91 C ATOM 734 CD2 PHE A 49 -13.238 7.889 -0.514 1.00 2.07 C ATOM 735 CE1 PHE A 49 -15.718 8.665 0.570 1.00 2.02 C ATOM 736 CE2 PHE A 49 -14.432 7.357 -1.031 1.00 2.03 C ATOM 737 CZ PHE A 49 -15.674 7.746 -0.492 1.00 1.13 C ATOM 0 H PHE A 49 -11.767 6.846 2.240 1.00 0.94 H new ATOM 0 HA PHE A 49 -10.566 9.493 2.680 1.00 0.94 H new ATOM 0 HB2 PHE A 49 -12.194 10.530 1.214 1.00 1.01 H new ATOM 0 HB3 PHE A 49 -11.233 9.375 0.312 1.00 1.01 H new ATOM 0 HD1 PHE A 49 -14.565 9.936 1.871 1.00 1.91 H new ATOM 0 HD2 PHE A 49 -12.288 7.584 -0.929 1.00 2.07 H new ATOM 0 HE1 PHE A 49 -16.667 8.951 0.999 1.00 2.02 H new ATOM 0 HE2 PHE A 49 -14.397 6.647 -1.844 1.00 2.03 H new ATOM 0 HZ PHE A 49 -16.590 7.339 -0.894 1.00 1.13 H new ATOM 747 N MET A 50 -12.813 10.308 3.846 1.00 0.91 N ATOM 748 CA MET A 50 -13.884 10.685 4.764 1.00 0.93 C ATOM 749 C MET A 50 -14.939 11.516 4.020 1.00 0.77 C ATOM 750 O MET A 50 -14.599 12.357 3.190 1.00 0.65 O ATOM 751 CB MET A 50 -13.272 11.456 5.943 1.00 1.08 C ATOM 752 CG MET A 50 -14.380 11.947 6.869 1.00 2.08 C ATOM 753 SD MET A 50 -13.843 12.534 8.493 1.00 2.51 S ATOM 754 CE MET A 50 -13.502 14.265 8.089 1.00 3.23 C ATOM 0 H MET A 50 -12.367 11.117 3.415 1.00 0.91 H new ATOM 0 HA MET A 50 -14.386 9.799 5.154 1.00 0.93 H new ATOM 0 HB2 MET A 50 -12.584 10.813 6.492 1.00 1.08 H new ATOM 0 HB3 MET A 50 -12.692 12.302 5.574 1.00 1.08 H new ATOM 0 HG2 MET A 50 -14.914 12.755 6.369 1.00 2.08 H new ATOM 0 HG3 MET A 50 -15.093 11.136 7.014 1.00 2.08 H new ATOM 0 HE1 MET A 50 -13.157 14.786 8.982 1.00 3.23 H new ATOM 0 HE2 MET A 50 -12.732 14.314 7.320 1.00 3.23 H new ATOM 0 HE3 MET A 50 -14.412 14.739 7.722 1.00 3.23 H new ATOM 764 N ARG A 51 -16.219 11.289 4.329 1.00 0.84 N ATOM 765 CA ARG A 51 -17.358 12.068 3.820 1.00 0.71 C ATOM 766 C ARG A 51 -18.334 12.409 4.951 1.00 0.73 C ATOM 767 O ARG A 51 -18.527 11.619 5.874 1.00 0.86 O ATOM 768 CB ARG A 51 -18.063 11.304 2.679 1.00 0.86 C ATOM 769 CG ARG A 51 -17.699 11.863 1.284 1.00 1.72 C ATOM 770 CD ARG A 51 -18.905 12.512 0.594 1.00 2.51 C ATOM 771 NE ARG A 51 -18.479 13.369 -0.529 1.00 3.86 N ATOM 772 CZ ARG A 51 -19.272 13.956 -1.422 1.00 4.84 C ATOM 773 NH1 ARG A 51 -20.571 13.750 -1.444 1.00 4.75 N ATOM 774 NH2 ARG A 51 -18.759 14.773 -2.316 1.00 6.25 N ATOM 0 H ARG A 51 -16.502 10.538 4.958 1.00 0.84 H new ATOM 0 HA ARG A 51 -16.984 13.008 3.416 1.00 0.71 H new ATOM 0 HB2 ARG A 51 -17.790 10.250 2.728 1.00 0.86 H new ATOM 0 HB3 ARG A 51 -19.142 11.360 2.820 1.00 0.86 H new ATOM 0 HG2 ARG A 51 -16.900 12.598 1.385 1.00 1.72 H new ATOM 0 HG3 ARG A 51 -17.314 11.057 0.659 1.00 1.72 H new ATOM 0 HD2 ARG A 51 -19.579 11.737 0.228 1.00 2.51 H new ATOM 0 HD3 ARG A 51 -19.465 13.106 1.317 1.00 2.51 H new ATOM 0 HE ARG A 51 -17.477 13.527 -0.631 1.00 3.86 H new ATOM 0 HH11 ARG A 51 -21.000 13.124 -0.762 1.00 4.75 H new ATOM 0 HH12 ARG A 51 -21.150 14.216 -2.143 1.00 4.75 H new ATOM 0 HH21 ARG A 51 -17.755 14.955 -2.324 1.00 6.25 H new ATOM 0 HH22 ARG A 51 -19.365 15.224 -3.002 1.00 6.25 H new ATOM 788 N GLU A 52 -18.964 13.579 4.880 1.00 0.80 N ATOM 789 CA GLU A 52 -20.021 14.024 5.760 1.00 0.97 C ATOM 790 C GLU A 52 -21.320 14.134 4.949 1.00 1.34 C ATOM 791 O GLU A 52 -21.283 14.530 3.784 1.00 1.68 O ATOM 792 CB GLU A 52 -19.577 15.386 6.293 1.00 1.62 C ATOM 793 CG GLU A 52 -20.499 15.935 7.372 1.00 1.77 C ATOM 794 CD GLU A 52 -19.871 15.847 8.761 1.00 2.08 C ATOM 795 OE1 GLU A 52 -18.767 16.388 8.988 1.00 2.85 O ATOM 796 OE2 GLU A 52 -20.448 15.166 9.638 1.00 2.51 O ATOM 0 H GLU A 52 -18.733 14.272 4.168 1.00 0.80 H new ATOM 0 HA GLU A 52 -20.205 13.337 6.586 1.00 0.97 H new ATOM 0 HB2 GLU A 52 -18.568 15.300 6.695 1.00 1.62 H new ATOM 0 HB3 GLU A 52 -19.532 16.096 5.467 1.00 1.62 H new ATOM 0 HG2 GLU A 52 -20.740 16.974 7.148 1.00 1.77 H new ATOM 0 HG3 GLU A 52 -21.438 15.381 7.363 1.00 1.77 H new ATOM 803 N VAL A 53 -22.451 13.797 5.567 1.00 1.51 N ATOM 804 CA VAL A 53 -23.811 14.024 5.057 1.00 2.12 C ATOM 805 C VAL A 53 -24.774 14.005 6.247 1.00 1.97 C ATOM 806 O VAL A 53 -24.555 13.229 7.172 1.00 2.04 O ATOM 807 CB VAL A 53 -24.194 12.996 3.960 1.00 2.58 C ATOM 808 CG1 VAL A 53 -24.103 11.532 4.427 1.00 2.24 C ATOM 809 CG2 VAL A 53 -25.590 13.283 3.385 1.00 4.35 C ATOM 0 H VAL A 53 -22.449 13.338 6.478 1.00 1.51 H new ATOM 0 HA VAL A 53 -23.869 14.996 4.568 1.00 2.12 H new ATOM 0 HB VAL A 53 -23.450 13.122 3.174 1.00 2.58 H new ATOM 0 HG11 VAL A 53 -24.385 10.871 3.608 1.00 2.24 H new ATOM 0 HG12 VAL A 53 -23.081 11.312 4.736 1.00 2.24 H new ATOM 0 HG13 VAL A 53 -24.778 11.376 5.268 1.00 2.24 H new ATOM 0 HG21 VAL A 53 -25.827 12.544 2.619 1.00 4.35 H new ATOM 0 HG22 VAL A 53 -26.330 13.229 4.183 1.00 4.35 H new ATOM 0 HG23 VAL A 53 -25.604 14.280 2.944 1.00 4.35 H new ATOM 819 N GLU A 54 -25.770 14.900 6.271 1.00 2.23 N ATOM 820 CA GLU A 54 -26.766 15.020 7.363 1.00 2.26 C ATOM 821 C GLU A 54 -26.123 15.441 8.712 1.00 2.09 C ATOM 822 O GLU A 54 -26.688 15.234 9.781 1.00 2.15 O ATOM 823 CB GLU A 54 -27.598 13.716 7.435 1.00 2.16 C ATOM 824 CG GLU A 54 -28.992 13.826 8.089 1.00 3.39 C ATOM 825 CD GLU A 54 -29.050 13.295 9.524 1.00 4.28 C ATOM 826 OE1 GLU A 54 -28.474 12.220 9.796 1.00 4.18 O ATOM 827 OE2 GLU A 54 -29.603 13.984 10.411 1.00 5.56 O ATOM 0 H GLU A 54 -25.916 15.577 5.522 1.00 2.23 H new ATOM 0 HA GLU A 54 -27.453 15.836 7.139 1.00 2.26 H new ATOM 0 HB2 GLU A 54 -27.725 13.336 6.421 1.00 2.16 H new ATOM 0 HB3 GLU A 54 -27.021 12.972 7.984 1.00 2.16 H new ATOM 0 HG2 GLU A 54 -29.302 14.871 8.086 1.00 3.39 H new ATOM 0 HG3 GLU A 54 -29.712 13.279 7.480 1.00 3.39 H new ATOM 834 N GLY A 55 -24.906 16.006 8.687 1.00 2.02 N ATOM 835 CA GLY A 55 -24.109 16.283 9.895 1.00 2.03 C ATOM 836 C GLY A 55 -23.494 15.021 10.511 1.00 1.65 C ATOM 837 O GLY A 55 -23.173 15.002 11.698 1.00 1.90 O ATOM 0 H GLY A 55 -24.443 16.286 7.822 1.00 2.02 H new ATOM 0 HA2 GLY A 55 -23.312 16.984 9.645 1.00 2.03 H new ATOM 0 HA3 GLY A 55 -24.741 16.771 10.637 1.00 2.03 H new ATOM 841 N LYS A 56 -23.363 13.952 9.717 1.00 1.24 N ATOM 842 CA LYS A 56 -22.818 12.657 10.100 1.00 1.04 C ATOM 843 C LYS A 56 -21.607 12.358 9.203 1.00 0.86 C ATOM 844 O LYS A 56 -21.723 12.281 7.974 1.00 0.88 O ATOM 845 CB LYS A 56 -23.882 11.545 9.958 1.00 1.08 C ATOM 846 CG LYS A 56 -25.294 11.867 10.481 1.00 1.33 C ATOM 847 CD LYS A 56 -25.399 12.122 11.993 1.00 2.13 C ATOM 848 CE LYS A 56 -26.871 12.345 12.383 1.00 2.78 C ATOM 849 NZ LYS A 56 -27.382 13.663 11.940 1.00 4.01 N ATOM 0 H LYS A 56 -23.652 13.975 8.739 1.00 1.24 H new ATOM 0 HA LYS A 56 -22.512 12.685 11.146 1.00 1.04 H new ATOM 0 HB2 LYS A 56 -23.962 11.283 8.903 1.00 1.08 H new ATOM 0 HB3 LYS A 56 -23.520 10.659 10.480 1.00 1.08 H new ATOM 0 HG2 LYS A 56 -25.665 12.747 9.955 1.00 1.33 H new ATOM 0 HG3 LYS A 56 -25.955 11.040 10.223 1.00 1.33 H new ATOM 0 HD2 LYS A 56 -24.992 11.274 12.543 1.00 2.13 H new ATOM 0 HD3 LYS A 56 -24.805 12.994 12.266 1.00 2.13 H new ATOM 0 HE2 LYS A 56 -27.483 11.556 11.946 1.00 2.78 H new ATOM 0 HE3 LYS A 56 -26.973 12.264 13.465 1.00 2.78 H new ATOM 0 HZ1 LYS A 56 -28.408 13.602 11.782 1.00 4.01 H new ATOM 0 HZ2 LYS A 56 -27.186 14.375 12.672 1.00 4.01 H new ATOM 0 HZ3 LYS A 56 -26.911 13.938 11.055 1.00 4.01 H new ATOM 863 N LYS A 57 -20.436 12.191 9.815 1.00 1.00 N ATOM 864 CA LYS A 57 -19.171 11.882 9.148 1.00 1.00 C ATOM 865 C LYS A 57 -18.873 10.376 9.167 1.00 1.02 C ATOM 866 O LYS A 57 -18.783 9.768 10.228 1.00 1.19 O ATOM 867 CB LYS A 57 -18.042 12.751 9.732 1.00 1.19 C ATOM 868 CG LYS A 57 -17.773 12.592 11.239 1.00 2.19 C ATOM 869 CD LYS A 57 -16.915 13.749 11.786 1.00 2.68 C ATOM 870 CE LYS A 57 -17.724 14.872 12.465 1.00 2.77 C ATOM 871 NZ LYS A 57 -18.602 15.636 11.543 1.00 2.84 N ATOM 0 H LYS A 57 -20.338 12.270 10.827 1.00 1.00 H new ATOM 0 HA LYS A 57 -19.249 12.138 8.091 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.122 12.524 9.194 1.00 1.19 H new ATOM 0 HB3 LYS A 57 -18.277 13.797 9.534 1.00 1.19 H new ATOM 0 HG2 LYS A 57 -18.720 12.555 11.777 1.00 2.19 H new ATOM 0 HG3 LYS A 57 -17.266 11.644 11.421 1.00 2.19 H new ATOM 0 HD2 LYS A 57 -16.200 13.348 12.504 1.00 2.68 H new ATOM 0 HD3 LYS A 57 -16.338 14.177 10.966 1.00 2.68 H new ATOM 0 HE2 LYS A 57 -18.337 14.436 13.254 1.00 2.77 H new ATOM 0 HE3 LYS A 57 -17.031 15.564 12.945 1.00 2.77 H new ATOM 0 HZ1 LYS A 57 -18.978 16.472 12.035 1.00 2.84 H new ATOM 0 HZ2 LYS A 57 -18.053 15.940 10.714 1.00 2.84 H new ATOM 0 HZ3 LYS A 57 -19.390 15.032 11.234 1.00 2.84 H new ATOM 885 N VAL A 58 -18.718 9.799 7.979 1.00 1.02 N ATOM 886 CA VAL A 58 -18.547 8.360 7.723 1.00 1.12 C ATOM 887 C VAL A 58 -17.447 8.187 6.674 1.00 1.16 C ATOM 888 O VAL A 58 -17.319 9.009 5.763 1.00 1.45 O ATOM 889 CB VAL A 58 -19.872 7.717 7.234 1.00 1.21 C ATOM 890 CG1 VAL A 58 -19.739 6.194 7.071 1.00 2.26 C ATOM 891 CG2 VAL A 58 -21.043 7.995 8.201 1.00 2.19 C ATOM 0 H VAL A 58 -18.707 10.346 7.118 1.00 1.02 H new ATOM 0 HA VAL A 58 -18.266 7.856 8.648 1.00 1.12 H new ATOM 0 HB VAL A 58 -20.082 8.175 6.268 1.00 1.21 H new ATOM 0 HG11 VAL A 58 -20.687 5.781 6.727 1.00 2.26 H new ATOM 0 HG12 VAL A 58 -18.961 5.973 6.341 1.00 2.26 H new ATOM 0 HG13 VAL A 58 -19.475 5.747 8.029 1.00 2.26 H new ATOM 0 HG21 VAL A 58 -21.950 7.526 7.819 1.00 2.19 H new ATOM 0 HG22 VAL A 58 -20.809 7.585 9.183 1.00 2.19 H new ATOM 0 HG23 VAL A 58 -21.198 9.071 8.285 1.00 2.19 H new ATOM 901 N MET A 59 -16.605 7.168 6.826 1.00 0.96 N ATOM 902 CA MET A 59 -15.462 6.937 5.937 1.00 0.87 C ATOM 903 C MET A 59 -15.818 6.097 4.708 1.00 0.85 C ATOM 904 O MET A 59 -16.903 5.530 4.607 1.00 0.94 O ATOM 905 CB MET A 59 -14.271 6.363 6.712 1.00 0.86 C ATOM 906 CG MET A 59 -13.775 7.360 7.770 1.00 0.94 C ATOM 907 SD MET A 59 -14.661 7.314 9.352 1.00 2.53 S ATOM 908 CE MET A 59 -15.123 9.057 9.510 1.00 3.56 C ATOM 0 H MET A 59 -16.693 6.476 7.570 1.00 0.96 H new ATOM 0 HA MET A 59 -15.164 7.909 5.545 1.00 0.87 H new ATOM 0 HB2 MET A 59 -14.561 5.429 7.194 1.00 0.86 H new ATOM 0 HB3 MET A 59 -13.462 6.127 6.021 1.00 0.86 H new ATOM 0 HG2 MET A 59 -12.718 7.169 7.958 1.00 0.94 H new ATOM 0 HG3 MET A 59 -13.849 8.367 7.360 1.00 0.94 H new ATOM 0 HE1 MET A 59 -15.694 9.200 10.427 1.00 3.56 H new ATOM 0 HE2 MET A 59 -14.223 9.670 9.543 1.00 3.56 H new ATOM 0 HE3 MET A 59 -15.731 9.351 8.654 1.00 3.56 H new ATOM 918 N GLY A 60 -14.899 6.077 3.747 1.00 0.77 N ATOM 919 CA GLY A 60 -15.068 5.476 2.433 1.00 0.75 C ATOM 920 C GLY A 60 -13.742 5.070 1.810 1.00 0.72 C ATOM 921 O GLY A 60 -12.688 5.194 2.426 1.00 0.80 O ATOM 0 H GLY A 60 -13.978 6.498 3.871 1.00 0.77 H new ATOM 0 HA2 GLY A 60 -15.711 4.600 2.517 1.00 0.75 H new ATOM 0 HA3 GLY A 60 -15.575 6.182 1.775 1.00 0.75 H new ATOM 925 N MET A 61 -13.793 4.549 0.588 1.00 0.75 N ATOM 926 CA MET A 61 -12.656 3.984 -0.125 1.00 0.72 C ATOM 927 C MET A 61 -12.946 3.976 -1.626 1.00 0.70 C ATOM 928 O MET A 61 -14.103 3.816 -2.016 1.00 0.82 O ATOM 929 CB MET A 61 -12.459 2.568 0.426 1.00 0.97 C ATOM 930 CG MET A 61 -11.354 1.772 -0.258 1.00 0.89 C ATOM 931 SD MET A 61 -11.327 -0.015 0.084 1.00 0.93 S ATOM 932 CE MET A 61 -11.923 -0.110 1.794 1.00 1.43 C ATOM 0 H MET A 61 -14.658 4.508 0.049 1.00 0.75 H new ATOM 0 HA MET A 61 -11.747 4.568 0.018 1.00 0.72 H new ATOM 0 HB2 MET A 61 -12.236 2.634 1.491 1.00 0.97 H new ATOM 0 HB3 MET A 61 -13.397 2.021 0.330 1.00 0.97 H new ATOM 0 HG2 MET A 61 -11.445 1.914 -1.335 1.00 0.89 H new ATOM 0 HG3 MET A 61 -10.393 2.193 0.039 1.00 0.89 H new ATOM 0 HE1 MET A 61 -11.816 -1.131 2.160 1.00 1.43 H new ATOM 0 HE2 MET A 61 -11.339 0.564 2.421 1.00 1.43 H new ATOM 0 HE3 MET A 61 -12.973 0.180 1.830 1.00 1.43 H new ATOM 942 N ARG A 62 -11.919 4.098 -2.472 1.00 0.63 N ATOM 943 CA ARG A 62 -12.041 3.981 -3.935 1.00 0.64 C ATOM 944 C ARG A 62 -10.681 3.696 -4.599 1.00 0.60 C ATOM 945 O ARG A 62 -9.652 4.075 -4.031 1.00 0.63 O ATOM 946 CB ARG A 62 -12.754 5.224 -4.525 1.00 0.84 C ATOM 947 CG ARG A 62 -11.974 6.531 -4.352 1.00 1.42 C ATOM 948 CD ARG A 62 -12.700 7.724 -4.977 1.00 1.66 C ATOM 949 NE ARG A 62 -11.885 8.932 -4.807 1.00 2.76 N ATOM 950 CZ ARG A 62 -11.306 9.671 -5.741 1.00 3.70 C ATOM 951 NH1 ARG A 62 -11.725 9.682 -6.989 1.00 3.86 N ATOM 952 NH2 ARG A 62 -10.277 10.408 -5.410 1.00 4.68 N ATOM 0 H ARG A 62 -10.966 4.283 -2.160 1.00 0.63 H new ATOM 0 HA ARG A 62 -12.668 3.118 -4.160 1.00 0.64 H new ATOM 0 HB2 ARG A 62 -12.933 5.057 -5.587 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -13.730 5.330 -4.051 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -11.816 6.720 -3.290 1.00 1.42 H new ATOM 0 HG3 ARG A 62 -10.989 6.428 -4.808 1.00 1.42 H new ATOM 0 HD2 ARG A 62 -12.881 7.540 -6.036 1.00 1.66 H new ATOM 0 HD3 ARG A 62 -13.674 7.859 -4.506 1.00 1.66 H new ATOM 0 HE ARG A 62 -11.746 9.243 -3.845 1.00 2.76 H new ATOM 0 HH11 ARG A 62 -12.522 9.108 -7.265 1.00 3.86 H new ATOM 0 HH12 ARG A 62 -11.253 10.265 -7.680 1.00 3.86 H new ATOM 0 HH21 ARG A 62 -9.936 10.406 -4.449 1.00 4.68 H new ATOM 0 HH22 ARG A 62 -9.816 10.985 -6.113 1.00 4.68 H new ATOM 966 N PRO A 63 -10.635 3.018 -5.766 1.00 0.59 N ATOM 967 CA PRO A 63 -9.385 2.767 -6.467 1.00 0.56 C ATOM 968 C PRO A 63 -8.845 4.044 -7.108 1.00 0.55 C ATOM 969 O PRO A 63 -9.622 4.923 -7.475 1.00 0.65 O ATOM 970 CB PRO A 63 -9.695 1.680 -7.494 1.00 0.57 C ATOM 971 CG PRO A 63 -11.164 1.938 -7.826 1.00 0.61 C ATOM 972 CD PRO A 63 -11.742 2.400 -6.485 1.00 0.62 C ATOM 0 HA PRO A 63 -8.598 2.437 -5.789 1.00 0.56 H new ATOM 0 HB2 PRO A 63 -9.060 1.764 -8.376 1.00 0.57 H new ATOM 0 HB3 PRO A 63 -9.542 0.681 -7.085 1.00 0.57 H new ATOM 0 HG2 PRO A 63 -11.276 2.699 -8.598 1.00 0.61 H new ATOM 0 HG3 PRO A 63 -11.660 1.039 -8.191 1.00 0.61 H new ATOM 0 HD2 PRO A 63 -12.556 3.110 -6.634 1.00 0.62 H new ATOM 0 HD3 PRO A 63 -12.151 1.559 -5.925 1.00 0.62 H new ATOM 980 N VAL A 64 -7.518 4.127 -7.243 1.00 0.46 N ATOM 981 CA VAL A 64 -6.793 5.262 -7.844 1.00 0.44 C ATOM 982 C VAL A 64 -5.700 4.738 -8.800 1.00 0.41 C ATOM 983 O VAL A 64 -5.223 3.619 -8.598 1.00 0.38 O ATOM 984 CB VAL A 64 -6.208 6.217 -6.768 1.00 0.45 C ATOM 985 CG1 VAL A 64 -7.320 6.832 -5.902 1.00 0.56 C ATOM 986 CG2 VAL A 64 -5.151 5.563 -5.863 1.00 0.59 C ATOM 0 H VAL A 64 -6.894 3.384 -6.928 1.00 0.46 H new ATOM 0 HA VAL A 64 -7.504 5.854 -8.420 1.00 0.44 H new ATOM 0 HB VAL A 64 -5.703 7.002 -7.331 1.00 0.45 H new ATOM 0 HG11 VAL A 64 -6.878 7.495 -5.159 1.00 0.56 H new ATOM 0 HG12 VAL A 64 -8.002 7.400 -6.535 1.00 0.56 H new ATOM 0 HG13 VAL A 64 -7.870 6.037 -5.398 1.00 0.56 H new ATOM 0 HG21 VAL A 64 -4.791 6.293 -5.138 1.00 0.59 H new ATOM 0 HG22 VAL A 64 -5.595 4.718 -5.337 1.00 0.59 H new ATOM 0 HG23 VAL A 64 -4.317 5.214 -6.472 1.00 0.59 H new ATOM 996 N PRO A 65 -5.329 5.487 -9.862 1.00 0.46 N ATOM 997 CA PRO A 65 -4.524 4.970 -10.970 1.00 0.47 C ATOM 998 C PRO A 65 -3.030 4.907 -10.651 1.00 0.41 C ATOM 999 O PRO A 65 -2.318 4.132 -11.281 1.00 0.40 O ATOM 1000 CB PRO A 65 -4.812 5.916 -12.138 1.00 0.56 C ATOM 1001 CG PRO A 65 -5.051 7.257 -11.449 1.00 0.58 C ATOM 1002 CD PRO A 65 -5.745 6.855 -10.147 1.00 0.54 C ATOM 0 HA PRO A 65 -4.789 3.937 -11.195 1.00 0.47 H new ATOM 0 HB2 PRO A 65 -3.974 5.964 -12.833 1.00 0.56 H new ATOM 0 HB3 PRO A 65 -5.683 5.596 -12.710 1.00 0.56 H new ATOM 0 HG2 PRO A 65 -4.117 7.787 -11.262 1.00 0.58 H new ATOM 0 HG3 PRO A 65 -5.675 7.915 -12.053 1.00 0.58 H new ATOM 0 HD2 PRO A 65 -5.462 7.524 -9.334 1.00 0.54 H new ATOM 0 HD3 PRO A 65 -6.828 6.918 -10.249 1.00 0.54 H new ATOM 1010 N PHE A 66 -2.575 5.707 -9.679 1.00 0.39 N ATOM 1011 CA PHE A 66 -1.199 5.806 -9.193 1.00 0.34 C ATOM 1012 C PHE A 66 -1.106 6.808 -8.033 1.00 0.39 C ATOM 1013 O PHE A 66 -1.999 7.638 -7.845 1.00 0.48 O ATOM 1014 CB PHE A 66 -0.225 6.194 -10.320 1.00 0.34 C ATOM 1015 CG PHE A 66 -0.503 7.544 -10.936 1.00 0.40 C ATOM 1016 CD1 PHE A 66 0.034 8.695 -10.339 1.00 1.78 C ATOM 1017 CD2 PHE A 66 -1.347 7.663 -12.053 1.00 2.08 C ATOM 1018 CE1 PHE A 66 -0.287 9.967 -10.822 1.00 1.74 C ATOM 1019 CE2 PHE A 66 -1.649 8.939 -12.565 1.00 2.15 C ATOM 1020 CZ PHE A 66 -1.123 10.093 -11.946 1.00 0.57 C ATOM 0 H PHE A 66 -3.200 6.341 -9.181 1.00 0.39 H new ATOM 0 HA PHE A 66 -0.908 4.821 -8.829 1.00 0.34 H new ATOM 0 HB2 PHE A 66 0.791 6.189 -9.926 1.00 0.34 H new ATOM 0 HB3 PHE A 66 -0.268 5.434 -11.101 1.00 0.34 H new ATOM 0 HD1 PHE A 66 0.703 8.597 -9.497 1.00 1.78 H new ATOM 0 HD2 PHE A 66 -1.762 6.780 -12.516 1.00 2.08 H new ATOM 0 HE1 PHE A 66 0.105 10.848 -10.335 1.00 1.74 H new ATOM 0 HE2 PHE A 66 -2.284 9.035 -13.433 1.00 2.15 H new ATOM 0 HZ PHE A 66 -1.362 11.072 -12.335 1.00 0.57 H new ATOM 1030 N LEU A 67 0.026 6.783 -7.327 1.00 0.41 N ATOM 1031 CA LEU A 67 0.483 7.867 -6.454 1.00 0.52 C ATOM 1032 C LEU A 67 1.696 8.560 -7.070 1.00 0.56 C ATOM 1033 O LEU A 67 2.439 7.944 -7.833 1.00 0.52 O ATOM 1034 CB LEU A 67 0.866 7.317 -5.067 1.00 0.60 C ATOM 1035 CG LEU A 67 -0.169 6.423 -4.363 1.00 0.59 C ATOM 1036 CD1 LEU A 67 0.341 6.130 -2.949 1.00 0.70 C ATOM 1037 CD2 LEU A 67 -1.562 7.051 -4.271 1.00 0.64 C ATOM 0 H LEU A 67 0.666 5.989 -7.347 1.00 0.41 H new ATOM 0 HA LEU A 67 -0.331 8.583 -6.344 1.00 0.52 H new ATOM 0 HB2 LEU A 67 1.790 6.749 -5.171 1.00 0.60 H new ATOM 0 HB3 LEU A 67 1.083 8.163 -4.415 1.00 0.60 H new ATOM 0 HG LEU A 67 -0.278 5.517 -4.959 1.00 0.59 H new ATOM 0 HD11 LEU A 67 -0.376 5.496 -2.427 1.00 0.70 H new ATOM 0 HD12 LEU A 67 1.302 5.618 -3.007 1.00 0.70 H new ATOM 0 HD13 LEU A 67 0.461 7.066 -2.404 1.00 0.70 H new ATOM 0 HD21 LEU A 67 -2.238 6.364 -3.763 1.00 0.64 H new ATOM 0 HD22 LEU A 67 -1.504 7.984 -3.710 1.00 0.64 H new ATOM 0 HD23 LEU A 67 -1.937 7.253 -5.274 1.00 0.64 H new ATOM 1049 N GLU A 68 1.902 9.825 -6.714 1.00 0.68 N ATOM 1050 CA GLU A 68 3.028 10.656 -7.150 1.00 0.80 C ATOM 1051 C GLU A 68 3.916 10.977 -5.945 1.00 0.84 C ATOM 1052 O GLU A 68 3.389 11.204 -4.855 1.00 0.88 O ATOM 1053 CB GLU A 68 2.478 11.968 -7.737 1.00 0.96 C ATOM 1054 CG GLU A 68 3.549 12.894 -8.333 1.00 1.09 C ATOM 1055 CD GLU A 68 3.911 12.484 -9.762 1.00 0.93 C ATOM 1056 OE1 GLU A 68 4.198 11.291 -10.002 1.00 1.88 O ATOM 1057 OE2 GLU A 68 3.839 13.339 -10.669 1.00 2.06 O ATOM 0 H GLU A 68 1.266 10.322 -6.090 1.00 0.68 H new ATOM 0 HA GLU A 68 3.612 10.126 -7.903 1.00 0.80 H new ATOM 0 HB2 GLU A 68 1.750 11.728 -8.512 1.00 0.96 H new ATOM 0 HB3 GLU A 68 1.944 12.507 -6.954 1.00 0.96 H new ATOM 0 HG2 GLU A 68 3.186 13.922 -8.329 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.442 12.869 -7.709 1.00 1.09 H new ATOM 1064 N VAL A 69 5.240 11.056 -6.136 1.00 0.88 N ATOM 1065 CA VAL A 69 6.171 11.568 -5.116 1.00 0.95 C ATOM 1066 C VAL A 69 7.338 12.367 -5.729 1.00 0.94 C ATOM 1067 O VAL A 69 7.989 11.870 -6.647 1.00 0.92 O ATOM 1068 CB VAL A 69 6.743 10.423 -4.231 1.00 0.99 C ATOM 1069 CG1 VAL A 69 7.522 10.987 -3.025 1.00 1.12 C ATOM 1070 CG2 VAL A 69 5.675 9.463 -3.681 1.00 1.01 C ATOM 0 H VAL A 69 5.697 10.767 -7.001 1.00 0.88 H new ATOM 0 HA VAL A 69 5.583 12.243 -4.494 1.00 0.95 H new ATOM 0 HB VAL A 69 7.396 9.863 -4.900 1.00 0.99 H new ATOM 0 HG11 VAL A 69 7.910 10.164 -2.425 1.00 1.12 H new ATOM 0 HG12 VAL A 69 8.351 11.598 -3.381 1.00 1.12 H new ATOM 0 HG13 VAL A 69 6.856 11.598 -2.415 1.00 1.12 H new ATOM 0 HG21 VAL A 69 6.154 8.694 -3.075 1.00 1.01 H new ATOM 0 HG22 VAL A 69 4.967 10.020 -3.067 1.00 1.01 H new ATOM 0 HG23 VAL A 69 5.146 8.994 -4.510 1.00 1.01 H new ATOM 1080 N PRO A 70 7.648 13.584 -5.236 1.00 0.98 N ATOM 1081 CA PRO A 70 8.734 14.415 -5.767 1.00 1.00 C ATOM 1082 C PRO A 70 10.129 13.814 -5.496 1.00 0.96 C ATOM 1083 O PRO A 70 10.248 12.886 -4.691 1.00 0.94 O ATOM 1084 CB PRO A 70 8.556 15.782 -5.091 1.00 1.02 C ATOM 1085 CG PRO A 70 7.878 15.446 -3.767 1.00 1.02 C ATOM 1086 CD PRO A 70 6.966 14.286 -4.155 1.00 1.03 C ATOM 0 HA PRO A 70 8.681 14.488 -6.853 1.00 1.00 H new ATOM 0 HB2 PRO A 70 9.513 16.279 -4.936 1.00 1.02 H new ATOM 0 HB3 PRO A 70 7.944 16.451 -5.696 1.00 1.02 H new ATOM 0 HG2 PRO A 70 8.599 15.158 -3.002 1.00 1.02 H new ATOM 0 HG3 PRO A 70 7.315 16.292 -3.372 1.00 1.02 H new ATOM 0 HD2 PRO A 70 6.794 13.624 -3.307 1.00 1.03 H new ATOM 0 HD3 PRO A 70 5.990 14.648 -4.479 1.00 1.03 H new ATOM 1094 N PRO A 71 11.193 14.352 -6.133 1.00 1.03 N ATOM 1095 CA PRO A 71 12.579 14.032 -5.794 1.00 1.06 C ATOM 1096 C PRO A 71 12.895 14.374 -4.342 1.00 1.14 C ATOM 1097 O PRO A 71 12.395 15.366 -3.813 1.00 1.26 O ATOM 1098 CB PRO A 71 13.447 14.819 -6.768 1.00 1.19 C ATOM 1099 CG PRO A 71 12.556 15.950 -7.261 1.00 1.26 C ATOM 1100 CD PRO A 71 11.155 15.351 -7.192 1.00 1.13 C ATOM 0 HA PRO A 71 12.769 12.963 -5.884 1.00 1.06 H new ATOM 0 HB2 PRO A 71 14.341 15.205 -6.278 1.00 1.19 H new ATOM 0 HB3 PRO A 71 13.782 14.192 -7.594 1.00 1.19 H new ATOM 0 HG2 PRO A 71 12.646 16.836 -6.632 1.00 1.26 H new ATOM 0 HG3 PRO A 71 12.814 16.252 -8.276 1.00 1.26 H new ATOM 0 HD2 PRO A 71 10.413 16.120 -6.976 1.00 1.13 H new ATOM 0 HD3 PRO A 71 10.877 14.899 -8.144 1.00 1.13 H new ATOM 1108 N LYS A 72 13.690 13.517 -3.688 1.00 1.14 N ATOM 1109 CA LYS A 72 14.046 13.598 -2.254 1.00 1.30 C ATOM 1110 C LYS A 72 12.839 13.388 -1.320 1.00 1.36 C ATOM 1111 O LYS A 72 12.922 13.611 -0.115 1.00 1.69 O ATOM 1112 CB LYS A 72 14.794 14.907 -1.943 1.00 1.58 C ATOM 1113 CG LYS A 72 15.860 15.279 -2.981 1.00 1.89 C ATOM 1114 CD LYS A 72 16.966 14.227 -3.150 1.00 1.62 C ATOM 1115 CE LYS A 72 17.812 14.584 -4.376 1.00 1.95 C ATOM 1116 NZ LYS A 72 18.810 13.538 -4.691 1.00 1.80 N ATOM 0 H LYS A 72 14.121 12.718 -4.154 1.00 1.14 H new ATOM 0 HA LYS A 72 14.723 12.768 -2.052 1.00 1.30 H new ATOM 0 HB2 LYS A 72 14.070 15.719 -1.874 1.00 1.58 H new ATOM 0 HB3 LYS A 72 15.269 14.819 -0.966 1.00 1.58 H new ATOM 0 HG2 LYS A 72 15.374 15.437 -3.944 1.00 1.89 H new ATOM 0 HG3 LYS A 72 16.316 16.227 -2.694 1.00 1.89 H new ATOM 0 HD2 LYS A 72 17.592 14.192 -2.258 1.00 1.62 H new ATOM 0 HD3 LYS A 72 16.528 13.236 -3.271 1.00 1.62 H new ATOM 0 HE2 LYS A 72 17.158 14.731 -5.236 1.00 1.95 H new ATOM 0 HE3 LYS A 72 18.323 15.530 -4.199 1.00 1.95 H new ATOM 0 HZ1 LYS A 72 19.768 13.932 -4.594 1.00 1.80 H new ATOM 0 HZ2 LYS A 72 18.696 12.740 -4.034 1.00 1.80 H new ATOM 0 HZ3 LYS A 72 18.669 13.206 -5.667 1.00 1.80 H new ATOM 1130 N GLY A 73 11.704 13.002 -1.905 1.00 1.24 N ATOM 1131 CA GLY A 73 10.394 12.866 -1.268 1.00 1.47 C ATOM 1132 C GLY A 73 10.160 11.515 -0.587 1.00 1.24 C ATOM 1133 O GLY A 73 10.636 10.470 -1.030 1.00 1.12 O ATOM 0 H GLY A 73 11.673 12.762 -2.896 1.00 1.24 H new ATOM 0 HA2 GLY A 73 10.280 13.657 -0.527 1.00 1.47 H new ATOM 0 HA3 GLY A 73 9.620 13.019 -2.020 1.00 1.47 H new ATOM 1137 N ARG A 74 9.333 11.561 0.457 1.00 1.35 N ATOM 1138 CA ARG A 74 8.931 10.436 1.303 1.00 1.19 C ATOM 1139 C ARG A 74 7.850 9.594 0.624 1.00 1.36 C ATOM 1140 O ARG A 74 6.732 10.071 0.429 1.00 2.24 O ATOM 1141 CB ARG A 74 8.364 11.025 2.604 1.00 2.46 C ATOM 1142 CG ARG A 74 9.420 11.438 3.637 1.00 2.21 C ATOM 1143 CD ARG A 74 10.002 10.222 4.334 1.00 1.98 C ATOM 1144 NE ARG A 74 9.056 9.564 5.247 1.00 2.20 N ATOM 1145 CZ ARG A 74 9.336 8.476 5.942 1.00 2.57 C ATOM 1146 NH1 ARG A 74 10.498 7.863 5.881 1.00 3.02 N ATOM 1147 NH2 ARG A 74 8.421 7.988 6.742 1.00 3.71 N ATOM 0 H ARG A 74 8.900 12.436 0.753 1.00 1.35 H new ATOM 0 HA ARG A 74 9.790 9.792 1.491 1.00 1.19 H new ATOM 0 HB2 ARG A 74 7.757 11.896 2.358 1.00 2.46 H new ATOM 0 HB3 ARG A 74 7.699 10.291 3.059 1.00 2.46 H new ATOM 0 HG2 ARG A 74 10.217 11.996 3.145 1.00 2.21 H new ATOM 0 HG3 ARG A 74 8.972 12.105 4.374 1.00 2.21 H new ATOM 0 HD2 ARG A 74 10.329 9.504 3.582 1.00 1.98 H new ATOM 0 HD3 ARG A 74 10.887 10.523 4.895 1.00 1.98 H new ATOM 0 HE ARG A 74 8.127 9.972 5.350 1.00 2.20 H new ATOM 0 HH11 ARG A 74 11.235 8.225 5.276 1.00 3.02 H new ATOM 0 HH12 ARG A 74 10.663 7.025 6.439 1.00 3.02 H new ATOM 0 HH21 ARG A 74 7.513 8.447 6.819 1.00 3.71 H new ATOM 0 HH22 ARG A 74 8.616 7.149 7.288 1.00 3.71 H new ATOM 1161 N VAL A 75 8.145 8.337 0.307 1.00 1.64 N ATOM 1162 CA VAL A 75 7.241 7.444 -0.460 1.00 2.78 C ATOM 1163 C VAL A 75 6.432 6.592 0.523 1.00 2.03 C ATOM 1164 O VAL A 75 6.408 5.367 0.468 1.00 1.93 O ATOM 1165 CB VAL A 75 8.001 6.585 -1.505 1.00 4.25 C ATOM 1166 CG1 VAL A 75 7.083 5.815 -2.478 1.00 5.45 C ATOM 1167 CG2 VAL A 75 8.961 7.416 -2.373 1.00 5.05 C ATOM 0 H VAL A 75 9.024 7.892 0.572 1.00 1.64 H new ATOM 0 HA VAL A 75 6.554 8.056 -1.044 1.00 2.78 H new ATOM 0 HB VAL A 75 8.549 5.876 -0.884 1.00 4.25 H new ATOM 0 HG11 VAL A 75 7.692 5.240 -3.175 1.00 5.45 H new ATOM 0 HG12 VAL A 75 6.441 5.138 -1.914 1.00 5.45 H new ATOM 0 HG13 VAL A 75 6.466 6.522 -3.033 1.00 5.45 H new ATOM 0 HG21 VAL A 75 9.465 6.763 -3.086 1.00 5.05 H new ATOM 0 HG22 VAL A 75 8.397 8.176 -2.913 1.00 5.05 H new ATOM 0 HG23 VAL A 75 9.702 7.898 -1.736 1.00 5.05 H new ATOM 1177 N GLU A 76 5.748 7.274 1.438 1.00 1.79 N ATOM 1178 CA GLU A 76 4.854 6.701 2.446 1.00 1.19 C ATOM 1179 C GLU A 76 3.412 6.890 1.988 1.00 1.31 C ATOM 1180 O GLU A 76 2.977 8.021 1.748 1.00 1.77 O ATOM 1181 CB GLU A 76 5.054 7.318 3.847 1.00 1.57 C ATOM 1182 CG GLU A 76 5.693 8.712 3.841 1.00 2.38 C ATOM 1183 CD GLU A 76 5.377 9.543 5.080 1.00 2.33 C ATOM 1184 OE1 GLU A 76 4.274 10.141 5.080 1.00 2.99 O ATOM 1185 OE2 GLU A 76 6.257 9.621 5.966 1.00 2.83 O ATOM 0 H GLU A 76 5.803 8.291 1.501 1.00 1.79 H new ATOM 0 HA GLU A 76 5.092 5.641 2.540 1.00 1.19 H new ATOM 0 HB2 GLU A 76 4.087 7.377 4.346 1.00 1.57 H new ATOM 0 HB3 GLU A 76 5.678 6.649 4.440 1.00 1.57 H new ATOM 0 HG2 GLU A 76 6.774 8.605 3.754 1.00 2.38 H new ATOM 0 HG3 GLU A 76 5.354 9.252 2.957 1.00 2.38 H new ATOM 1192 N LEU A 77 2.679 5.775 1.897 1.00 1.07 N ATOM 1193 CA LEU A 77 1.289 5.733 1.445 1.00 1.42 C ATOM 1194 C LEU A 77 0.368 6.608 2.303 1.00 2.37 C ATOM 1195 O LEU A 77 -0.273 7.490 1.744 1.00 4.31 O ATOM 1196 CB LEU A 77 0.808 4.266 1.402 1.00 1.08 C ATOM 1197 CG LEU A 77 0.749 3.673 -0.017 1.00 0.63 C ATOM 1198 CD1 LEU A 77 2.092 3.672 -0.763 1.00 0.66 C ATOM 1199 CD2 LEU A 77 0.219 2.240 0.059 1.00 1.07 C ATOM 0 H LEU A 77 3.047 4.856 2.142 1.00 1.07 H new ATOM 0 HA LEU A 77 1.243 6.152 0.440 1.00 1.42 H new ATOM 0 HB2 LEU A 77 1.474 3.657 2.013 1.00 1.08 H new ATOM 0 HB3 LEU A 77 -0.183 4.205 1.853 1.00 1.08 H new ATOM 0 HG LEU A 77 0.084 4.321 -0.588 1.00 0.63 H new ATOM 0 HD11 LEU A 77 1.958 3.237 -1.753 1.00 0.66 H new ATOM 0 HD12 LEU A 77 2.454 4.695 -0.862 1.00 0.66 H new ATOM 0 HD13 LEU A 77 2.819 3.083 -0.203 1.00 0.66 H new ATOM 0 HD21 LEU A 77 0.175 1.815 -0.944 1.00 1.07 H new ATOM 0 HD22 LEU A 77 0.884 1.639 0.679 1.00 1.07 H new ATOM 0 HD23 LEU A 77 -0.780 2.244 0.495 1.00 1.07 H new ATOM 1211 N LYS A 78 0.342 6.369 3.625 1.00 1.39 N ATOM 1212 CA LYS A 78 -0.398 7.029 4.734 1.00 1.80 C ATOM 1213 C LYS A 78 -0.928 5.994 5.742 1.00 1.56 C ATOM 1214 O LYS A 78 -1.464 4.980 5.315 1.00 1.39 O ATOM 1215 CB LYS A 78 -1.584 7.929 4.293 1.00 2.19 C ATOM 1216 CG LYS A 78 -1.380 9.454 4.282 1.00 2.08 C ATOM 1217 CD LYS A 78 -0.216 10.080 3.478 1.00 2.56 C ATOM 1218 CE LYS A 78 1.180 9.750 4.038 1.00 2.13 C ATOM 1219 NZ LYS A 78 2.293 10.285 3.226 1.00 3.16 N ATOM 0 H LYS A 78 0.912 5.610 3.998 1.00 1.39 H new ATOM 0 HA LYS A 78 0.346 7.682 5.190 1.00 1.80 H new ATOM 0 HB2 LYS A 78 -1.875 7.626 3.287 1.00 2.19 H new ATOM 0 HB3 LYS A 78 -2.427 7.711 4.948 1.00 2.19 H new ATOM 0 HG2 LYS A 78 -2.304 9.900 3.913 1.00 2.08 H new ATOM 0 HG3 LYS A 78 -1.264 9.772 5.318 1.00 2.08 H new ATOM 0 HD2 LYS A 78 -0.273 9.734 2.446 1.00 2.56 H new ATOM 0 HD3 LYS A 78 -0.342 11.163 3.459 1.00 2.56 H new ATOM 0 HE2 LYS A 78 1.258 10.147 5.050 1.00 2.13 H new ATOM 0 HE3 LYS A 78 1.285 8.668 4.112 1.00 2.13 H new ATOM 0 HZ1 LYS A 78 3.081 10.553 3.850 1.00 3.16 H new ATOM 0 HZ2 LYS A 78 2.614 9.558 2.555 1.00 3.16 H new ATOM 0 HZ3 LYS A 78 1.968 11.122 2.700 1.00 3.16 H new ATOM 1233 N PRO A 79 -0.894 6.271 7.060 1.00 2.31 N ATOM 1234 CA PRO A 79 -1.748 5.566 7.999 1.00 2.56 C ATOM 1235 C PRO A 79 -3.196 5.967 7.706 1.00 2.14 C ATOM 1236 O PRO A 79 -3.492 7.145 7.509 1.00 3.80 O ATOM 1237 CB PRO A 79 -1.271 5.987 9.392 1.00 3.46 C ATOM 1238 CG PRO A 79 -0.710 7.393 9.164 1.00 3.68 C ATOM 1239 CD PRO A 79 -0.167 7.335 7.734 1.00 3.24 C ATOM 0 HA PRO A 79 -1.699 4.480 7.923 1.00 2.56 H new ATOM 0 HB2 PRO A 79 -2.089 5.993 10.112 1.00 3.46 H new ATOM 0 HB3 PRO A 79 -0.510 5.309 9.779 1.00 3.46 H new ATOM 0 HG2 PRO A 79 -1.482 8.155 9.269 1.00 3.68 H new ATOM 0 HG3 PRO A 79 0.075 7.633 9.882 1.00 3.68 H new ATOM 0 HD2 PRO A 79 -0.313 8.288 7.225 1.00 3.24 H new ATOM 0 HD3 PRO A 79 0.904 7.134 7.734 1.00 3.24 H new ATOM 1247 N GLY A 80 -4.081 4.973 7.611 1.00 0.97 N ATOM 1248 CA GLY A 80 -5.517 5.164 7.375 1.00 1.37 C ATOM 1249 C GLY A 80 -5.896 5.452 5.919 1.00 1.75 C ATOM 1250 O GLY A 80 -6.919 4.944 5.471 1.00 3.34 O ATOM 0 H GLY A 80 -3.816 3.992 7.697 1.00 0.97 H new ATOM 0 HA2 GLY A 80 -6.047 4.270 7.704 1.00 1.37 H new ATOM 0 HA3 GLY A 80 -5.867 5.988 7.997 1.00 1.37 H new ATOM 1254 N GLY A 81 -5.095 6.230 5.177 1.00 0.75 N ATOM 1255 CA GLY A 81 -5.412 6.691 3.812 1.00 0.81 C ATOM 1256 C GLY A 81 -5.107 5.658 2.729 1.00 0.97 C ATOM 1257 O GLY A 81 -5.792 4.645 2.599 1.00 1.82 O ATOM 0 H GLY A 81 -4.191 6.564 5.512 1.00 0.75 H new ATOM 0 HA2 GLY A 81 -6.469 6.954 3.763 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -4.847 7.600 3.604 1.00 0.81 H new ATOM 1261 N TYR A 82 -4.091 5.926 1.906 1.00 0.61 N ATOM 1262 CA TYR A 82 -3.848 5.126 0.704 1.00 0.63 C ATOM 1263 C TYR A 82 -3.315 3.747 1.065 1.00 0.66 C ATOM 1264 O TYR A 82 -2.523 3.587 1.983 1.00 0.72 O ATOM 1265 CB TYR A 82 -2.857 5.815 -0.235 1.00 0.70 C ATOM 1266 CG TYR A 82 -3.396 7.078 -0.860 1.00 0.69 C ATOM 1267 CD1 TYR A 82 -4.199 6.982 -2.007 1.00 1.97 C ATOM 1268 CD2 TYR A 82 -3.117 8.336 -0.296 1.00 1.52 C ATOM 1269 CE1 TYR A 82 -4.713 8.143 -2.603 1.00 1.96 C ATOM 1270 CE2 TYR A 82 -3.647 9.503 -0.878 1.00 1.55 C ATOM 1271 CZ TYR A 82 -4.447 9.408 -2.041 1.00 0.74 C ATOM 1272 OH TYR A 82 -4.963 10.531 -2.610 1.00 0.79 O ATOM 0 H TYR A 82 -3.427 6.687 2.049 1.00 0.61 H new ATOM 0 HA TYR A 82 -4.805 5.022 0.193 1.00 0.63 H new ATOM 0 HB2 TYR A 82 -1.949 6.053 0.319 1.00 0.70 H new ATOM 0 HB3 TYR A 82 -2.575 5.120 -1.026 1.00 0.70 H new ATOM 0 HD1 TYR A 82 -4.421 6.014 -2.431 1.00 1.97 H new ATOM 0 HD2 TYR A 82 -2.496 8.407 0.584 1.00 1.52 H new ATOM 0 HE1 TYR A 82 -5.315 8.067 -3.496 1.00 1.96 H new ATOM 0 HE2 TYR A 82 -3.444 10.468 -0.438 1.00 1.55 H new ATOM 0 HH TYR A 82 -4.683 11.317 -2.096 1.00 0.79 H new ATOM 1282 N HIS A 83 -3.771 2.745 0.331 1.00 0.65 N ATOM 1283 CA HIS A 83 -3.476 1.346 0.620 1.00 0.69 C ATOM 1284 C HIS A 83 -3.656 0.481 -0.624 1.00 0.67 C ATOM 1285 O HIS A 83 -4.595 0.667 -1.400 1.00 0.76 O ATOM 1286 CB HIS A 83 -4.307 0.840 1.809 1.00 0.73 C ATOM 1287 CG HIS A 83 -5.782 0.796 1.547 1.00 0.73 C ATOM 1288 ND1 HIS A 83 -6.652 1.860 1.634 1.00 0.73 N ATOM 1289 CD2 HIS A 83 -6.468 -0.261 1.017 1.00 0.73 C ATOM 1290 CE1 HIS A 83 -7.825 1.465 1.120 1.00 0.74 C ATOM 1291 NE2 HIS A 83 -7.773 0.163 0.775 1.00 0.75 N ATOM 0 H HIS A 83 -4.362 2.878 -0.490 1.00 0.65 H new ATOM 0 HA HIS A 83 -2.428 1.270 0.911 1.00 0.69 H new ATOM 0 HB2 HIS A 83 -3.966 -0.160 2.078 1.00 0.73 H new ATOM 0 HB3 HIS A 83 -4.120 1.483 2.669 1.00 0.73 H new ATOM 0 HD1 HIS A 83 -6.442 2.781 2.019 1.00 0.73 H new ATOM 0 HD2 HIS A 83 -6.071 -1.246 0.821 1.00 0.73 H new ATOM 0 HE1 HIS A 83 -8.690 2.100 0.999 1.00 0.74 H new ATOM 1299 N PHE A 84 -2.793 -0.518 -0.780 1.00 0.57 N ATOM 1300 CA PHE A 84 -3.011 -1.564 -1.770 1.00 0.54 C ATOM 1301 C PHE A 84 -4.034 -2.564 -1.224 1.00 0.58 C ATOM 1302 O PHE A 84 -3.900 -2.993 -0.086 1.00 0.67 O ATOM 1303 CB PHE A 84 -1.681 -2.247 -2.098 1.00 0.52 C ATOM 1304 CG PHE A 84 -0.752 -1.392 -2.929 1.00 0.52 C ATOM 1305 CD1 PHE A 84 -0.889 -1.378 -4.327 1.00 1.86 C ATOM 1306 CD2 PHE A 84 0.237 -0.601 -2.317 1.00 1.50 C ATOM 1307 CE1 PHE A 84 -0.019 -0.608 -5.111 1.00 1.87 C ATOM 1308 CE2 PHE A 84 1.102 0.183 -3.105 1.00 1.52 C ATOM 1309 CZ PHE A 84 0.988 0.165 -4.503 1.00 0.61 C ATOM 0 H PHE A 84 -1.938 -0.624 -0.234 1.00 0.57 H new ATOM 0 HA PHE A 84 -3.404 -1.136 -2.692 1.00 0.54 H new ATOM 0 HB2 PHE A 84 -1.180 -2.515 -1.168 1.00 0.52 H new ATOM 0 HB3 PHE A 84 -1.881 -3.176 -2.631 1.00 0.52 H new ATOM 0 HD1 PHE A 84 -1.666 -1.962 -4.798 1.00 1.86 H new ATOM 0 HD2 PHE A 84 0.333 -0.595 -1.241 1.00 1.50 H new ATOM 0 HE1 PHE A 84 -0.122 -0.608 -6.186 1.00 1.87 H new ATOM 0 HE2 PHE A 84 1.853 0.798 -2.633 1.00 1.52 H new ATOM 0 HZ PHE A 84 1.670 0.742 -5.110 1.00 0.61 H new ATOM 1319 N MET A 85 -5.028 -2.959 -2.017 1.00 0.57 N ATOM 1320 CA MET A 85 -5.951 -4.073 -1.747 1.00 0.57 C ATOM 1321 C MET A 85 -5.376 -5.337 -2.400 1.00 0.56 C ATOM 1322 O MET A 85 -5.140 -5.331 -3.603 1.00 0.60 O ATOM 1323 CB MET A 85 -7.343 -3.727 -2.289 1.00 0.62 C ATOM 1324 CG MET A 85 -8.488 -4.400 -1.513 1.00 0.79 C ATOM 1325 SD MET A 85 -9.304 -3.382 -0.228 1.00 1.06 S ATOM 1326 CE MET A 85 -8.632 -4.124 1.275 1.00 0.73 C ATOM 0 H MET A 85 -5.225 -2.496 -2.904 1.00 0.57 H new ATOM 0 HA MET A 85 -6.056 -4.250 -0.677 1.00 0.57 H new ATOM 0 HB2 MET A 85 -7.479 -2.646 -2.256 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.401 -4.024 -3.336 1.00 0.62 H new ATOM 0 HG2 MET A 85 -9.245 -4.719 -2.229 1.00 0.79 H new ATOM 0 HG3 MET A 85 -8.097 -5.301 -1.039 1.00 0.79 H new ATOM 0 HE1 MET A 85 -8.966 -3.555 2.143 1.00 0.73 H new ATOM 0 HE2 MET A 85 -8.981 -5.153 1.360 1.00 0.73 H new ATOM 0 HE3 MET A 85 -7.543 -4.112 1.231 1.00 0.73 H new ATOM 1336 N LEU A 86 -5.080 -6.378 -1.620 1.00 0.54 N ATOM 1337 CA LEU A 86 -4.311 -7.564 -2.033 1.00 0.52 C ATOM 1338 C LEU A 86 -5.253 -8.753 -2.257 1.00 0.71 C ATOM 1339 O LEU A 86 -5.749 -9.312 -1.282 1.00 0.93 O ATOM 1340 CB LEU A 86 -3.303 -7.905 -0.917 1.00 0.47 C ATOM 1341 CG LEU A 86 -1.964 -7.150 -0.928 1.00 0.53 C ATOM 1342 CD1 LEU A 86 -2.110 -5.639 -0.718 1.00 1.08 C ATOM 1343 CD2 LEU A 86 -1.090 -7.707 0.209 1.00 1.15 C ATOM 0 H LEU A 86 -5.378 -6.425 -0.646 1.00 0.54 H new ATOM 0 HA LEU A 86 -3.786 -7.356 -2.966 1.00 0.52 H new ATOM 0 HB2 LEU A 86 -3.786 -7.722 0.043 1.00 0.47 H new ATOM 0 HB3 LEU A 86 -3.090 -8.973 -0.968 1.00 0.47 H new ATOM 0 HG LEU A 86 -1.520 -7.298 -1.912 1.00 0.53 H new ATOM 0 HD11 LEU A 86 -1.125 -5.172 -0.738 1.00 1.08 H new ATOM 0 HD12 LEU A 86 -2.727 -5.219 -1.513 1.00 1.08 H new ATOM 0 HD13 LEU A 86 -2.582 -5.450 0.246 1.00 1.08 H new ATOM 0 HD21 LEU A 86 -0.133 -7.186 0.221 1.00 1.15 H new ATOM 0 HD22 LEU A 86 -1.596 -7.559 1.163 1.00 1.15 H new ATOM 0 HD23 LEU A 86 -0.921 -8.772 0.050 1.00 1.15 H new ATOM 1355 N LEU A 87 -5.519 -9.133 -3.508 1.00 0.76 N ATOM 1356 CA LEU A 87 -6.609 -10.047 -3.870 1.00 0.86 C ATOM 1357 C LEU A 87 -6.114 -11.497 -4.005 1.00 0.73 C ATOM 1358 O LEU A 87 -5.140 -11.761 -4.707 1.00 0.81 O ATOM 1359 CB LEU A 87 -7.252 -9.580 -5.197 1.00 1.23 C ATOM 1360 CG LEU A 87 -8.204 -8.360 -5.181 1.00 1.49 C ATOM 1361 CD1 LEU A 87 -9.469 -8.637 -4.359 1.00 1.81 C ATOM 1362 CD2 LEU A 87 -7.543 -7.071 -4.678 1.00 2.45 C ATOM 0 H LEU A 87 -4.977 -8.811 -4.310 1.00 0.76 H new ATOM 0 HA LEU A 87 -7.350 -10.026 -3.071 1.00 0.86 H new ATOM 0 HB2 LEU A 87 -6.444 -9.358 -5.894 1.00 1.23 H new ATOM 0 HB3 LEU A 87 -7.805 -10.424 -5.609 1.00 1.23 H new ATOM 0 HG LEU A 87 -8.475 -8.203 -6.225 1.00 1.49 H new ATOM 0 HD11 LEU A 87 -10.112 -7.757 -4.372 1.00 1.81 H new ATOM 0 HD12 LEU A 87 -10.004 -9.483 -4.789 1.00 1.81 H new ATOM 0 HD13 LEU A 87 -9.191 -8.868 -3.331 1.00 1.81 H new ATOM 0 HD21 LEU A 87 -8.270 -6.259 -4.695 1.00 2.45 H new ATOM 0 HD22 LEU A 87 -7.187 -7.219 -3.658 1.00 2.45 H new ATOM 0 HD23 LEU A 87 -6.702 -6.818 -5.323 1.00 2.45 H new ATOM 1374 N GLY A 88 -6.827 -12.458 -3.407 1.00 0.69 N ATOM 1375 CA GLY A 88 -6.610 -13.898 -3.623 1.00 0.74 C ATOM 1376 C GLY A 88 -5.422 -14.466 -2.842 1.00 0.88 C ATOM 1377 O GLY A 88 -4.575 -15.135 -3.434 1.00 1.71 O ATOM 0 H GLY A 88 -7.581 -12.258 -2.750 1.00 0.69 H new ATOM 0 HA2 GLY A 88 -7.512 -14.439 -3.338 1.00 0.74 H new ATOM 0 HA3 GLY A 88 -6.453 -14.077 -4.687 1.00 0.74 H new ATOM 1381 N LEU A 89 -5.344 -14.139 -1.549 1.00 0.51 N ATOM 1382 CA LEU A 89 -4.245 -14.461 -0.636 1.00 0.54 C ATOM 1383 C LEU A 89 -3.775 -15.911 -0.628 1.00 0.75 C ATOM 1384 O LEU A 89 -4.516 -16.845 -0.921 1.00 0.96 O ATOM 1385 CB LEU A 89 -4.517 -14.067 0.823 1.00 0.57 C ATOM 1386 CG LEU A 89 -5.130 -12.689 1.097 1.00 0.53 C ATOM 1387 CD1 LEU A 89 -5.272 -12.558 2.612 1.00 0.66 C ATOM 1388 CD2 LEU A 89 -4.271 -11.549 0.534 1.00 0.49 C ATOM 0 H LEU A 89 -6.086 -13.614 -1.087 1.00 0.51 H new ATOM 0 HA LEU A 89 -3.449 -13.851 -1.063 1.00 0.54 H new ATOM 0 HB2 LEU A 89 -5.180 -14.818 1.253 1.00 0.57 H new ATOM 0 HB3 LEU A 89 -3.574 -14.126 1.366 1.00 0.57 H new ATOM 0 HG LEU A 89 -6.097 -12.611 0.599 1.00 0.53 H new ATOM 0 HD11 LEU A 89 -5.706 -11.588 2.854 1.00 0.66 H new ATOM 0 HD12 LEU A 89 -5.921 -13.350 2.986 1.00 0.66 H new ATOM 0 HD13 LEU A 89 -4.290 -12.643 3.078 1.00 0.66 H new ATOM 0 HD21 LEU A 89 -4.746 -10.593 0.753 1.00 0.49 H new ATOM 0 HD22 LEU A 89 -3.283 -11.577 0.994 1.00 0.49 H new ATOM 0 HD23 LEU A 89 -4.173 -11.666 -0.545 1.00 0.49 H new ATOM 1400 N LYS A 90 -2.512 -16.053 -0.232 1.00 0.78 N ATOM 1401 CA LYS A 90 -1.783 -17.327 -0.191 1.00 0.96 C ATOM 1402 C LYS A 90 -1.306 -17.709 1.219 1.00 1.13 C ATOM 1403 O LYS A 90 -1.225 -18.884 1.568 1.00 1.36 O ATOM 1404 CB LYS A 90 -0.609 -17.260 -1.171 1.00 0.88 C ATOM 1405 CG LYS A 90 -0.906 -16.645 -2.564 1.00 0.86 C ATOM 1406 CD LYS A 90 -1.992 -17.456 -3.253 1.00 1.34 C ATOM 1407 CE LYS A 90 -2.364 -17.010 -4.668 1.00 1.46 C ATOM 1408 NZ LYS A 90 -3.726 -17.493 -5.002 1.00 2.27 N ATOM 0 H LYS A 90 -1.947 -15.263 0.079 1.00 0.78 H new ATOM 0 HA LYS A 90 -2.474 -18.116 -0.488 1.00 0.96 H new ATOM 0 HB2 LYS A 90 0.191 -16.683 -0.707 1.00 0.88 H new ATOM 0 HB3 LYS A 90 -0.229 -18.271 -1.318 1.00 0.88 H new ATOM 0 HG2 LYS A 90 -1.225 -15.608 -2.456 1.00 0.86 H new ATOM 0 HG3 LYS A 90 -0.001 -16.639 -3.171 1.00 0.86 H new ATOM 0 HD2 LYS A 90 -1.670 -18.497 -3.294 1.00 1.34 H new ATOM 0 HD3 LYS A 90 -2.889 -17.424 -2.635 1.00 1.34 H new ATOM 0 HE2 LYS A 90 -2.325 -15.923 -4.739 1.00 1.46 H new ATOM 0 HE3 LYS A 90 -1.643 -17.402 -5.385 1.00 1.46 H new ATOM 0 HZ1 LYS A 90 -3.898 -17.370 -6.020 1.00 2.27 H new ATOM 0 HZ2 LYS A 90 -3.807 -18.500 -4.757 1.00 2.27 H new ATOM 0 HZ3 LYS A 90 -4.429 -16.948 -4.463 1.00 2.27 H new ATOM 1422 N ARG A 91 -1.020 -16.697 2.039 1.00 1.11 N ATOM 1423 CA ARG A 91 -0.945 -16.756 3.502 1.00 1.33 C ATOM 1424 C ARG A 91 -2.185 -16.048 4.075 1.00 1.15 C ATOM 1425 O ARG A 91 -2.568 -15.026 3.506 1.00 0.98 O ATOM 1426 CB ARG A 91 0.300 -15.993 4.008 1.00 1.64 C ATOM 1427 CG ARG A 91 1.646 -16.672 3.716 1.00 1.66 C ATOM 1428 CD ARG A 91 1.948 -17.863 4.629 1.00 2.21 C ATOM 1429 NE ARG A 91 2.578 -17.471 5.911 1.00 3.23 N ATOM 1430 CZ ARG A 91 3.265 -18.257 6.730 1.00 4.30 C ATOM 1431 NH1 ARG A 91 3.433 -19.540 6.494 1.00 4.86 N ATOM 1432 NH2 ARG A 91 3.810 -17.761 7.813 1.00 5.27 N ATOM 0 H ARG A 91 -0.823 -15.762 1.682 1.00 1.11 H new ATOM 0 HA ARG A 91 -0.891 -17.799 3.815 1.00 1.33 H new ATOM 0 HB2 ARG A 91 0.306 -15.001 3.557 1.00 1.64 H new ATOM 0 HB3 ARG A 91 0.208 -15.853 5.085 1.00 1.64 H new ATOM 0 HG2 ARG A 91 1.655 -17.009 2.680 1.00 1.66 H new ATOM 0 HG3 ARG A 91 2.443 -15.936 3.819 1.00 1.66 H new ATOM 0 HD2 ARG A 91 1.021 -18.398 4.836 1.00 2.21 H new ATOM 0 HD3 ARG A 91 2.606 -18.556 4.105 1.00 2.21 H new ATOM 0 HE ARG A 91 2.473 -16.496 6.193 1.00 3.23 H new ATOM 0 HH11 ARG A 91 3.029 -19.962 5.658 1.00 4.86 H new ATOM 0 HH12 ARG A 91 3.968 -20.113 7.147 1.00 4.86 H new ATOM 0 HH21 ARG A 91 3.707 -16.769 8.028 1.00 5.27 H new ATOM 0 HH22 ARG A 91 4.338 -18.367 8.442 1.00 5.27 H new ATOM 1446 N PRO A 92 -2.758 -16.503 5.203 1.00 1.35 N ATOM 1447 CA PRO A 92 -3.514 -15.629 6.086 1.00 1.46 C ATOM 1448 C PRO A 92 -2.506 -14.715 6.792 1.00 1.61 C ATOM 1449 O PRO A 92 -1.512 -15.193 7.338 1.00 1.88 O ATOM 1450 CB PRO A 92 -4.245 -16.567 7.049 1.00 1.70 C ATOM 1451 CG PRO A 92 -3.308 -17.773 7.160 1.00 1.84 C ATOM 1452 CD PRO A 92 -2.590 -17.821 5.807 1.00 1.63 C ATOM 0 HA PRO A 92 -4.240 -14.988 5.585 1.00 1.46 H new ATOM 0 HB2 PRO A 92 -4.410 -16.097 8.019 1.00 1.70 H new ATOM 0 HB3 PRO A 92 -5.223 -16.854 6.664 1.00 1.70 H new ATOM 0 HG2 PRO A 92 -2.601 -17.653 7.981 1.00 1.84 H new ATOM 0 HG3 PRO A 92 -3.863 -18.692 7.349 1.00 1.84 H new ATOM 0 HD2 PRO A 92 -1.534 -18.057 5.936 1.00 1.63 H new ATOM 0 HD3 PRO A 92 -3.014 -18.597 5.170 1.00 1.63 H new ATOM 1460 N LEU A 93 -2.723 -13.399 6.752 1.00 1.66 N ATOM 1461 CA LEU A 93 -1.777 -12.418 7.286 1.00 1.85 C ATOM 1462 C LEU A 93 -2.024 -12.264 8.788 1.00 1.85 C ATOM 1463 O LEU A 93 -3.079 -11.776 9.196 1.00 2.26 O ATOM 1464 CB LEU A 93 -1.912 -11.076 6.529 1.00 2.15 C ATOM 1465 CG LEU A 93 -1.163 -10.969 5.179 1.00 1.62 C ATOM 1466 CD1 LEU A 93 0.346 -10.789 5.385 1.00 2.20 C ATOM 1467 CD2 LEU A 93 -1.395 -12.149 4.231 1.00 1.26 C ATOM 0 H LEU A 93 -3.562 -12.983 6.347 1.00 1.66 H new ATOM 0 HA LEU A 93 -0.752 -12.759 7.140 1.00 1.85 H new ATOM 0 HB2 LEU A 93 -2.971 -10.891 6.348 1.00 2.15 H new ATOM 0 HB3 LEU A 93 -1.556 -10.279 7.181 1.00 2.15 H new ATOM 0 HG LEU A 93 -1.589 -10.085 4.705 1.00 1.62 H new ATOM 0 HD11 LEU A 93 0.840 -10.718 4.416 1.00 2.20 H new ATOM 0 HD12 LEU A 93 0.529 -9.877 5.954 1.00 2.20 H new ATOM 0 HD13 LEU A 93 0.743 -11.644 5.932 1.00 2.20 H new ATOM 0 HD21 LEU A 93 -0.833 -11.992 3.310 1.00 1.26 H new ATOM 0 HD22 LEU A 93 -1.060 -13.070 4.708 1.00 1.26 H new ATOM 0 HD23 LEU A 93 -2.457 -12.226 3.999 1.00 1.26 H new ATOM 1479 N LYS A 94 -1.027 -12.645 9.596 1.00 1.59 N ATOM 1480 CA LYS A 94 -1.074 -12.618 11.066 1.00 1.50 C ATOM 1481 C LYS A 94 0.186 -12.020 11.719 1.00 1.21 C ATOM 1482 O LYS A 94 1.251 -11.936 11.119 1.00 1.69 O ATOM 1483 CB LYS A 94 -1.435 -14.006 11.646 1.00 1.80 C ATOM 1484 CG LYS A 94 -0.765 -15.246 11.032 1.00 1.72 C ATOM 1485 CD LYS A 94 0.760 -15.212 10.860 1.00 2.64 C ATOM 1486 CE LYS A 94 1.540 -15.232 12.181 1.00 3.75 C ATOM 1487 NZ LYS A 94 2.963 -14.881 11.961 1.00 4.70 N ATOM 0 H LYS A 94 -0.138 -12.991 9.236 1.00 1.59 H new ATOM 0 HA LYS A 94 -1.878 -11.930 11.327 1.00 1.50 H new ATOM 0 HB2 LYS A 94 -1.200 -13.993 12.710 1.00 1.80 H new ATOM 0 HB3 LYS A 94 -2.514 -14.133 11.559 1.00 1.80 H new ATOM 0 HG2 LYS A 94 -1.015 -16.106 11.653 1.00 1.72 H new ATOM 0 HG3 LYS A 94 -1.211 -15.420 10.053 1.00 1.72 H new ATOM 0 HD2 LYS A 94 1.066 -16.067 10.257 1.00 2.64 H new ATOM 0 HD3 LYS A 94 1.032 -14.315 10.303 1.00 2.64 H new ATOM 0 HE2 LYS A 94 1.092 -14.528 12.883 1.00 3.75 H new ATOM 0 HE3 LYS A 94 1.471 -16.221 12.634 1.00 3.75 H new ATOM 0 HZ1 LYS A 94 3.524 -15.174 12.786 1.00 4.70 H new ATOM 0 HZ2 LYS A 94 3.314 -15.370 11.113 1.00 4.70 H new ATOM 0 HZ3 LYS A 94 3.051 -13.853 11.830 1.00 4.70 H new ATOM 1501 N ALA A 95 0.058 -11.635 12.985 1.00 1.14 N ATOM 1502 CA ALA A 95 1.060 -10.915 13.754 1.00 1.16 C ATOM 1503 C ALA A 95 2.367 -11.713 13.834 1.00 1.04 C ATOM 1504 O ALA A 95 2.368 -12.921 14.073 1.00 1.11 O ATOM 1505 CB ALA A 95 0.492 -10.584 15.139 1.00 1.40 C ATOM 0 H ALA A 95 -0.786 -11.826 13.525 1.00 1.14 H new ATOM 0 HA ALA A 95 1.303 -9.978 13.254 1.00 1.16 H new ATOM 0 HB1 ALA A 95 1.240 -10.044 15.719 1.00 1.40 H new ATOM 0 HB2 ALA A 95 -0.398 -9.965 15.029 1.00 1.40 H new ATOM 0 HB3 ALA A 95 0.230 -11.508 15.655 1.00 1.40 H new ATOM 1511 N GLY A 96 3.465 -11.019 13.568 1.00 1.04 N ATOM 1512 CA GLY A 96 4.808 -11.605 13.529 1.00 1.11 C ATOM 1513 C GLY A 96 5.068 -12.408 12.256 1.00 1.04 C ATOM 1514 O GLY A 96 5.568 -13.526 12.341 1.00 1.36 O ATOM 0 H GLY A 96 3.453 -10.019 13.370 1.00 1.04 H new ATOM 0 HA2 GLY A 96 5.549 -10.809 13.609 1.00 1.11 H new ATOM 0 HA3 GLY A 96 4.942 -12.253 14.395 1.00 1.11 H new ATOM 1518 N GLU A 97 4.690 -11.871 11.093 1.00 1.11 N ATOM 1519 CA GLU A 97 5.419 -12.142 9.840 1.00 1.21 C ATOM 1520 C GLU A 97 6.286 -10.911 9.484 1.00 1.23 C ATOM 1521 O GLU A 97 6.059 -9.810 9.993 1.00 1.14 O ATOM 1522 CB GLU A 97 4.497 -12.420 8.629 1.00 1.44 C ATOM 1523 CG GLU A 97 3.215 -13.232 8.819 1.00 1.80 C ATOM 1524 CD GLU A 97 3.350 -14.716 8.506 1.00 1.54 C ATOM 1525 OE1 GLU A 97 3.694 -15.487 9.428 1.00 2.28 O ATOM 1526 OE2 GLU A 97 3.014 -15.142 7.382 1.00 2.40 O ATOM 0 H GLU A 97 3.889 -11.249 10.987 1.00 1.11 H new ATOM 0 HA GLU A 97 6.013 -13.038 10.023 1.00 1.21 H new ATOM 0 HB2 GLU A 97 4.211 -11.455 8.210 1.00 1.44 H new ATOM 0 HB3 GLU A 97 5.096 -12.930 7.875 1.00 1.44 H new ATOM 0 HG2 GLU A 97 2.880 -13.121 9.850 1.00 1.80 H new ATOM 0 HG3 GLU A 97 2.436 -12.810 8.184 1.00 1.80 H new ATOM 1533 N GLU A 98 7.197 -11.103 8.536 1.00 1.45 N ATOM 1534 CA GLU A 98 7.797 -10.132 7.625 1.00 1.41 C ATOM 1535 C GLU A 98 7.547 -10.764 6.249 1.00 1.39 C ATOM 1536 O GLU A 98 7.796 -11.955 6.080 1.00 1.79 O ATOM 1537 CB GLU A 98 9.315 -9.967 7.877 1.00 1.55 C ATOM 1538 CG GLU A 98 9.685 -8.721 8.698 1.00 2.79 C ATOM 1539 CD GLU A 98 10.305 -7.584 7.862 1.00 3.62 C ATOM 1540 OE1 GLU A 98 11.477 -7.674 7.442 1.00 3.85 O ATOM 1541 OE2 GLU A 98 9.668 -6.525 7.673 1.00 4.90 O ATOM 0 H GLU A 98 7.572 -12.037 8.369 1.00 1.45 H new ATOM 0 HA GLU A 98 7.377 -9.132 7.738 1.00 1.41 H new ATOM 0 HB2 GLU A 98 9.684 -10.852 8.394 1.00 1.55 H new ATOM 0 HB3 GLU A 98 9.829 -9.921 6.917 1.00 1.55 H new ATOM 0 HG2 GLU A 98 8.790 -8.347 9.195 1.00 2.79 H new ATOM 0 HG3 GLU A 98 10.388 -9.009 9.480 1.00 2.79 H new ATOM 1548 N VAL A 99 6.972 -10.003 5.319 1.00 0.97 N ATOM 1549 CA VAL A 99 6.463 -10.495 4.023 1.00 0.91 C ATOM 1550 C VAL A 99 6.851 -9.529 2.910 1.00 0.59 C ATOM 1551 O VAL A 99 6.762 -8.312 3.078 1.00 0.57 O ATOM 1552 CB VAL A 99 4.924 -10.656 4.019 1.00 1.06 C ATOM 1553 CG1 VAL A 99 4.451 -11.402 2.763 1.00 1.55 C ATOM 1554 CG2 VAL A 99 4.396 -11.420 5.246 1.00 1.44 C ATOM 0 H VAL A 99 6.840 -8.999 5.442 1.00 0.97 H new ATOM 0 HA VAL A 99 6.912 -11.475 3.859 1.00 0.91 H new ATOM 0 HB VAL A 99 4.527 -9.641 4.040 1.00 1.06 H new ATOM 0 HG11 VAL A 99 3.366 -11.501 2.786 1.00 1.55 H new ATOM 0 HG12 VAL A 99 4.746 -10.843 1.875 1.00 1.55 H new ATOM 0 HG13 VAL A 99 4.905 -12.392 2.735 1.00 1.55 H new ATOM 0 HG21 VAL A 99 3.311 -11.500 5.185 1.00 1.44 H new ATOM 0 HG22 VAL A 99 4.833 -12.418 5.269 1.00 1.44 H new ATOM 0 HG23 VAL A 99 4.670 -10.883 6.154 1.00 1.44 H new ATOM 1564 N GLU A 100 7.281 -10.078 1.772 1.00 0.72 N ATOM 1565 CA GLU A 100 7.797 -9.294 0.651 1.00 0.64 C ATOM 1566 C GLU A 100 6.725 -8.743 -0.308 1.00 0.62 C ATOM 1567 O GLU A 100 5.620 -9.278 -0.453 1.00 0.66 O ATOM 1568 CB GLU A 100 8.929 -10.023 -0.099 1.00 0.80 C ATOM 1569 CG GLU A 100 8.495 -11.278 -0.863 1.00 1.47 C ATOM 1570 CD GLU A 100 9.488 -11.609 -1.977 1.00 1.54 C ATOM 1571 OE1 GLU A 100 10.714 -11.643 -1.734 1.00 2.09 O ATOM 1572 OE2 GLU A 100 9.055 -11.768 -3.139 1.00 2.41 O ATOM 0 H GLU A 100 7.281 -11.084 1.603 1.00 0.72 H new ATOM 0 HA GLU A 100 8.225 -8.407 1.117 1.00 0.64 H new ATOM 0 HB2 GLU A 100 9.385 -9.327 -0.803 1.00 0.80 H new ATOM 0 HB3 GLU A 100 9.700 -10.301 0.619 1.00 0.80 H new ATOM 0 HG2 GLU A 100 8.420 -12.120 -0.175 1.00 1.47 H new ATOM 0 HG3 GLU A 100 7.503 -11.125 -1.288 1.00 1.47 H new ATOM 1579 N LEU A 101 7.109 -7.661 -0.993 1.00 0.80 N ATOM 1580 CA LEU A 101 6.348 -6.949 -2.012 1.00 0.73 C ATOM 1581 C LEU A 101 7.283 -6.193 -2.965 1.00 0.54 C ATOM 1582 O LEU A 101 8.270 -5.584 -2.542 1.00 0.54 O ATOM 1583 CB LEU A 101 5.297 -6.060 -1.309 1.00 0.91 C ATOM 1584 CG LEU A 101 4.590 -4.957 -2.128 1.00 1.53 C ATOM 1585 CD1 LEU A 101 3.215 -4.665 -1.501 1.00 2.02 C ATOM 1586 CD2 LEU A 101 5.408 -3.661 -2.154 1.00 3.10 C ATOM 0 H LEU A 101 8.022 -7.235 -0.836 1.00 0.80 H new ATOM 0 HA LEU A 101 5.806 -7.645 -2.652 1.00 0.73 H new ATOM 0 HB2 LEU A 101 4.526 -6.716 -0.905 1.00 0.91 H new ATOM 0 HB3 LEU A 101 5.785 -5.580 -0.460 1.00 0.91 H new ATOM 0 HG LEU A 101 4.481 -5.314 -3.152 1.00 1.53 H new ATOM 0 HD11 LEU A 101 2.711 -3.887 -2.075 1.00 2.02 H new ATOM 0 HD12 LEU A 101 2.611 -5.572 -1.511 1.00 2.02 H new ATOM 0 HD13 LEU A 101 3.348 -4.329 -0.473 1.00 2.02 H new ATOM 0 HD21 LEU A 101 4.879 -2.909 -2.739 1.00 3.10 H new ATOM 0 HD22 LEU A 101 5.546 -3.298 -1.136 1.00 3.10 H new ATOM 0 HD23 LEU A 101 6.381 -3.854 -2.606 1.00 3.10 H new ATOM 1598 N ASP A 102 6.930 -6.220 -4.251 1.00 0.56 N ATOM 1599 CA ASP A 102 7.442 -5.364 -5.320 1.00 0.49 C ATOM 1600 C ASP A 102 6.662 -4.048 -5.331 1.00 0.58 C ATOM 1601 O ASP A 102 5.430 -4.060 -5.420 1.00 0.72 O ATOM 1602 CB ASP A 102 7.206 -6.042 -6.680 1.00 0.64 C ATOM 1603 CG ASP A 102 8.043 -7.292 -6.931 1.00 0.94 C ATOM 1604 OD1 ASP A 102 9.288 -7.174 -6.939 1.00 2.07 O ATOM 1605 OD2 ASP A 102 7.424 -8.356 -7.168 1.00 2.07 O ATOM 0 H ASP A 102 6.235 -6.883 -4.595 1.00 0.56 H new ATOM 0 HA ASP A 102 8.505 -5.190 -5.152 1.00 0.49 H new ATOM 0 HB2 ASP A 102 6.152 -6.307 -6.759 1.00 0.64 H new ATOM 0 HB3 ASP A 102 7.413 -5.320 -7.470 1.00 0.64 H new ATOM 1610 N LEU A 103 7.352 -2.908 -5.303 1.00 0.68 N ATOM 1611 CA LEU A 103 6.771 -1.623 -5.698 1.00 0.65 C ATOM 1612 C LEU A 103 6.944 -1.454 -7.210 1.00 0.61 C ATOM 1613 O LEU A 103 8.072 -1.531 -7.702 1.00 0.64 O ATOM 1614 CB LEU A 103 7.456 -0.450 -4.976 1.00 0.64 C ATOM 1615 CG LEU A 103 7.162 -0.302 -3.470 1.00 0.78 C ATOM 1616 CD1 LEU A 103 8.069 -1.195 -2.607 1.00 1.22 C ATOM 1617 CD2 LEU A 103 7.401 1.165 -3.086 1.00 0.97 C ATOM 0 H LEU A 103 8.326 -2.848 -5.007 1.00 0.68 H new ATOM 0 HA LEU A 103 5.716 -1.618 -5.424 1.00 0.65 H new ATOM 0 HB2 LEU A 103 8.533 -0.553 -5.105 1.00 0.64 H new ATOM 0 HB3 LEU A 103 7.163 0.475 -5.473 1.00 0.64 H new ATOM 0 HG LEU A 103 6.132 -0.609 -3.288 1.00 0.78 H new ATOM 0 HD11 LEU A 103 7.823 -1.054 -1.555 1.00 1.22 H new ATOM 0 HD12 LEU A 103 7.916 -2.239 -2.879 1.00 1.22 H new ATOM 0 HD13 LEU A 103 9.112 -0.925 -2.775 1.00 1.22 H new ATOM 0 HD21 LEU A 103 7.200 1.300 -2.023 1.00 0.97 H new ATOM 0 HD22 LEU A 103 8.437 1.432 -3.297 1.00 0.97 H new ATOM 0 HD23 LEU A 103 6.736 1.806 -3.665 1.00 0.97 H new ATOM 1629 N LEU A 104 5.858 -1.173 -7.940 1.00 0.58 N ATOM 1630 CA LEU A 104 5.896 -0.909 -9.375 1.00 0.59 C ATOM 1631 C LEU A 104 5.756 0.597 -9.632 1.00 0.63 C ATOM 1632 O LEU A 104 4.678 1.194 -9.516 1.00 0.51 O ATOM 1633 CB LEU A 104 4.804 -1.729 -10.088 1.00 0.57 C ATOM 1634 CG LEU A 104 4.830 -3.251 -9.819 1.00 0.62 C ATOM 1635 CD1 LEU A 104 3.670 -3.921 -10.568 1.00 0.74 C ATOM 1636 CD2 LEU A 104 6.155 -3.903 -10.235 1.00 0.70 C ATOM 0 H LEU A 104 4.920 -1.123 -7.542 1.00 0.58 H new ATOM 0 HA LEU A 104 6.856 -1.221 -9.785 1.00 0.59 H new ATOM 0 HB2 LEU A 104 3.830 -1.342 -9.789 1.00 0.57 H new ATOM 0 HB3 LEU A 104 4.895 -1.566 -11.162 1.00 0.57 H new ATOM 0 HG LEU A 104 4.725 -3.393 -8.743 1.00 0.62 H new ATOM 0 HD11 LEU A 104 3.687 -4.994 -10.379 1.00 0.74 H new ATOM 0 HD12 LEU A 104 2.724 -3.506 -10.220 1.00 0.74 H new ATOM 0 HD13 LEU A 104 3.774 -3.739 -11.638 1.00 0.74 H new ATOM 0 HD21 LEU A 104 6.117 -4.972 -10.023 1.00 0.70 H new ATOM 0 HD22 LEU A 104 6.317 -3.750 -11.302 1.00 0.70 H new ATOM 0 HD23 LEU A 104 6.974 -3.451 -9.676 1.00 0.70 H new ATOM 1648 N PHE A 105 6.871 1.222 -9.997 1.00 0.85 N ATOM 1649 CA PHE A 105 6.955 2.619 -10.404 1.00 0.78 C ATOM 1650 C PHE A 105 6.909 2.760 -11.934 1.00 0.76 C ATOM 1651 O PHE A 105 7.321 1.868 -12.682 1.00 0.96 O ATOM 1652 CB PHE A 105 8.231 3.244 -9.834 1.00 0.86 C ATOM 1653 CG PHE A 105 8.288 3.310 -8.320 1.00 0.91 C ATOM 1654 CD1 PHE A 105 7.759 4.413 -7.622 1.00 2.20 C ATOM 1655 CD2 PHE A 105 8.932 2.281 -7.609 1.00 1.75 C ATOM 1656 CE1 PHE A 105 7.911 4.507 -6.228 1.00 2.28 C ATOM 1657 CE2 PHE A 105 9.077 2.372 -6.216 1.00 1.72 C ATOM 1658 CZ PHE A 105 8.574 3.486 -5.525 1.00 1.04 C ATOM 0 H PHE A 105 7.775 0.750 -10.018 1.00 0.85 H new ATOM 0 HA PHE A 105 6.091 3.150 -10.006 1.00 0.78 H new ATOM 0 HB2 PHE A 105 9.088 2.673 -10.191 1.00 0.86 H new ATOM 0 HB3 PHE A 105 8.332 4.254 -10.231 1.00 0.86 H new ATOM 0 HD1 PHE A 105 7.235 5.189 -8.160 1.00 2.20 H new ATOM 0 HD2 PHE A 105 9.315 1.420 -8.136 1.00 1.75 H new ATOM 0 HE1 PHE A 105 7.519 5.362 -5.698 1.00 2.28 H new ATOM 0 HE2 PHE A 105 9.577 1.583 -5.674 1.00 1.72 H new ATOM 0 HZ PHE A 105 8.696 3.558 -4.454 1.00 1.04 H new ATOM 1668 N ALA A 106 6.422 3.913 -12.397 1.00 0.75 N ATOM 1669 CA ALA A 106 6.166 4.198 -13.808 1.00 0.72 C ATOM 1670 C ALA A 106 7.370 3.904 -14.727 1.00 1.31 C ATOM 1671 O ALA A 106 8.493 4.385 -14.517 1.00 2.13 O ATOM 1672 CB ALA A 106 5.692 5.651 -13.934 1.00 1.17 C ATOM 0 H ALA A 106 6.189 4.694 -11.784 1.00 0.75 H new ATOM 0 HA ALA A 106 5.386 3.520 -14.155 1.00 0.72 H new ATOM 0 HB1 ALA A 106 5.496 5.880 -14.981 1.00 1.17 H new ATOM 0 HB2 ALA A 106 4.778 5.787 -13.356 1.00 1.17 H new ATOM 0 HB3 ALA A 106 6.464 6.320 -13.554 1.00 1.17 H new ATOM 1678 N GLY A 107 7.118 3.116 -15.778 1.00 1.85 N ATOM 1679 CA GLY A 107 8.085 2.806 -16.837 1.00 2.72 C ATOM 1680 C GLY A 107 9.204 1.881 -16.364 1.00 2.37 C ATOM 1681 O GLY A 107 10.356 2.308 -16.308 1.00 3.37 O ATOM 0 H GLY A 107 6.214 2.665 -15.919 1.00 1.85 H new ATOM 0 HA2 GLY A 107 7.564 2.340 -17.674 1.00 2.72 H new ATOM 0 HA3 GLY A 107 8.520 3.734 -17.209 1.00 2.72 H new ATOM 1685 N GLY A 108 8.868 0.633 -16.022 1.00 1.53 N ATOM 1686 CA GLY A 108 9.840 -0.448 -15.803 1.00 1.68 C ATOM 1687 C GLY A 108 10.651 -0.362 -14.508 1.00 1.43 C ATOM 1688 O GLY A 108 11.633 -1.087 -14.368 1.00 1.83 O ATOM 0 H GLY A 108 7.901 0.339 -15.887 1.00 1.53 H new ATOM 0 HA2 GLY A 108 9.306 -1.398 -15.813 1.00 1.68 H new ATOM 0 HA3 GLY A 108 10.534 -0.463 -16.644 1.00 1.68 H new ATOM 1692 N LYS A 109 10.293 0.508 -13.556 1.00 0.97 N ATOM 1693 CA LYS A 109 11.052 0.668 -12.313 1.00 0.97 C ATOM 1694 C LYS A 109 10.441 -0.165 -11.188 1.00 1.00 C ATOM 1695 O LYS A 109 9.431 0.217 -10.611 1.00 1.30 O ATOM 1696 CB LYS A 109 11.118 2.153 -11.959 1.00 0.96 C ATOM 1697 CG LYS A 109 12.149 2.814 -12.868 1.00 1.17 C ATOM 1698 CD LYS A 109 12.054 4.350 -12.806 1.00 1.42 C ATOM 1699 CE LYS A 109 12.323 4.999 -14.169 1.00 2.23 C ATOM 1700 NZ LYS A 109 11.247 4.685 -15.147 1.00 3.56 N ATOM 0 H LYS A 109 9.476 1.115 -13.625 1.00 0.97 H new ATOM 0 HA LYS A 109 12.068 0.299 -12.452 1.00 0.97 H new ATOM 0 HB2 LYS A 109 10.141 2.619 -12.090 1.00 0.96 H new ATOM 0 HB3 LYS A 109 11.395 2.282 -10.913 1.00 0.96 H new ATOM 0 HG2 LYS A 109 13.150 2.498 -12.574 1.00 1.17 H new ATOM 0 HG3 LYS A 109 11.998 2.480 -13.895 1.00 1.17 H new ATOM 0 HD2 LYS A 109 11.062 4.638 -12.457 1.00 1.42 H new ATOM 0 HD3 LYS A 109 12.771 4.728 -12.077 1.00 1.42 H new ATOM 0 HE2 LYS A 109 12.402 6.079 -14.049 1.00 2.23 H new ATOM 0 HE3 LYS A 109 13.280 4.650 -14.556 1.00 2.23 H new ATOM 0 HZ1 LYS A 109 11.276 5.371 -15.928 1.00 3.56 H new ATOM 0 HZ2 LYS A 109 11.389 3.726 -15.524 1.00 3.56 H new ATOM 0 HZ3 LYS A 109 10.322 4.738 -14.674 1.00 3.56 H new ATOM 1714 N VAL A 110 11.093 -1.273 -10.883 1.00 0.83 N ATOM 1715 CA VAL A 110 10.707 -2.175 -9.791 1.00 0.82 C ATOM 1716 C VAL A 110 11.664 -2.031 -8.608 1.00 0.87 C ATOM 1717 O VAL A 110 12.861 -1.824 -8.803 1.00 1.03 O ATOM 1718 CB VAL A 110 10.566 -3.642 -10.270 1.00 0.90 C ATOM 1719 CG1 VAL A 110 11.888 -4.230 -10.798 1.00 2.09 C ATOM 1720 CG2 VAL A 110 9.984 -4.557 -9.180 1.00 2.38 C ATOM 0 H VAL A 110 11.921 -1.584 -11.391 1.00 0.83 H new ATOM 0 HA VAL A 110 9.717 -1.880 -9.445 1.00 0.82 H new ATOM 0 HB VAL A 110 9.863 -3.605 -11.102 1.00 0.90 H new ATOM 0 HG11 VAL A 110 11.726 -5.259 -11.119 1.00 2.09 H new ATOM 0 HG12 VAL A 110 12.238 -3.637 -11.643 1.00 2.09 H new ATOM 0 HG13 VAL A 110 12.637 -4.210 -10.006 1.00 2.09 H new ATOM 0 HG21 VAL A 110 9.904 -5.574 -9.563 1.00 2.38 H new ATOM 0 HG22 VAL A 110 10.639 -4.548 -8.309 1.00 2.38 H new ATOM 0 HG23 VAL A 110 8.995 -4.199 -8.894 1.00 2.38 H new ATOM 1730 N LEU A 111 11.124 -2.126 -7.390 1.00 0.80 N ATOM 1731 CA LEU A 111 11.891 -2.087 -6.145 1.00 0.84 C ATOM 1732 C LEU A 111 11.229 -3.024 -5.128 1.00 0.79 C ATOM 1733 O LEU A 111 10.146 -2.736 -4.625 1.00 1.11 O ATOM 1734 CB LEU A 111 11.975 -0.618 -5.674 1.00 0.92 C ATOM 1735 CG LEU A 111 13.138 -0.309 -4.714 1.00 1.14 C ATOM 1736 CD1 LEU A 111 13.228 1.210 -4.525 1.00 2.46 C ATOM 1737 CD2 LEU A 111 12.985 -0.969 -3.339 1.00 2.20 C ATOM 0 H LEU A 111 10.121 -2.234 -7.240 1.00 0.80 H new ATOM 0 HA LEU A 111 12.913 -2.442 -6.278 1.00 0.84 H new ATOM 0 HB2 LEU A 111 12.066 0.024 -6.550 1.00 0.92 H new ATOM 0 HB3 LEU A 111 11.038 -0.355 -5.182 1.00 0.92 H new ATOM 0 HG LEU A 111 14.043 -0.717 -5.164 1.00 1.14 H new ATOM 0 HD11 LEU A 111 14.048 1.444 -3.847 1.00 2.46 H new ATOM 0 HD12 LEU A 111 13.407 1.687 -5.489 1.00 2.46 H new ATOM 0 HD13 LEU A 111 12.293 1.580 -4.105 1.00 2.46 H new ATOM 0 HD21 LEU A 111 13.839 -0.709 -2.714 1.00 2.20 H new ATOM 0 HD22 LEU A 111 12.068 -0.616 -2.866 1.00 2.20 H new ATOM 0 HD23 LEU A 111 12.938 -2.051 -3.458 1.00 2.20 H new ATOM 1749 N LYS A 112 11.863 -4.164 -4.843 1.00 0.68 N ATOM 1750 CA LYS A 112 11.295 -5.182 -3.949 1.00 0.76 C ATOM 1751 C LYS A 112 11.772 -5.007 -2.499 1.00 0.95 C ATOM 1752 O LYS A 112 12.973 -4.877 -2.249 1.00 1.25 O ATOM 1753 CB LYS A 112 11.573 -6.594 -4.503 1.00 1.02 C ATOM 1754 CG LYS A 112 10.514 -7.582 -3.979 1.00 1.47 C ATOM 1755 CD LYS A 112 10.559 -8.977 -4.607 1.00 1.69 C ATOM 1756 CE LYS A 112 11.702 -9.827 -4.049 1.00 1.60 C ATOM 1757 NZ LYS A 112 11.477 -11.259 -4.342 1.00 2.16 N ATOM 0 H LYS A 112 12.778 -4.409 -5.221 1.00 0.68 H new ATOM 0 HA LYS A 112 10.214 -5.048 -3.919 1.00 0.76 H new ATOM 0 HB2 LYS A 112 11.558 -6.576 -5.593 1.00 1.02 H new ATOM 0 HB3 LYS A 112 12.568 -6.922 -4.203 1.00 1.02 H new ATOM 0 HG2 LYS A 112 10.636 -7.682 -2.900 1.00 1.47 H new ATOM 0 HG3 LYS A 112 9.526 -7.155 -4.150 1.00 1.47 H new ATOM 0 HD2 LYS A 112 9.611 -9.484 -4.428 1.00 1.69 H new ATOM 0 HD3 LYS A 112 10.672 -8.884 -5.687 1.00 1.69 H new ATOM 0 HE2 LYS A 112 12.648 -9.505 -4.485 1.00 1.60 H new ATOM 0 HE3 LYS A 112 11.781 -9.679 -2.972 1.00 1.60 H new ATOM 0 HZ1 LYS A 112 11.993 -11.840 -3.651 1.00 2.16 H new ATOM 0 HZ2 LYS A 112 10.460 -11.470 -4.282 1.00 2.16 H new ATOM 0 HZ3 LYS A 112 11.819 -11.475 -5.300 1.00 2.16 H new ATOM 1771 N VAL A 113 10.846 -5.038 -1.536 1.00 0.90 N ATOM 1772 CA VAL A 113 11.097 -4.831 -0.093 1.00 1.07 C ATOM 1773 C VAL A 113 10.278 -5.823 0.733 1.00 0.84 C ATOM 1774 O VAL A 113 9.319 -6.407 0.247 1.00 0.71 O ATOM 1775 CB VAL A 113 10.764 -3.380 0.333 1.00 1.30 C ATOM 1776 CG1 VAL A 113 11.037 -3.037 1.810 1.00 1.98 C ATOM 1777 CG2 VAL A 113 11.572 -2.385 -0.517 1.00 2.39 C ATOM 0 H VAL A 113 9.862 -5.214 -1.740 1.00 0.90 H new ATOM 0 HA VAL A 113 12.158 -5.002 0.091 1.00 1.07 H new ATOM 0 HB VAL A 113 9.688 -3.301 0.179 1.00 1.30 H new ATOM 0 HG11 VAL A 113 10.768 -1.997 1.998 1.00 1.98 H new ATOM 0 HG12 VAL A 113 10.441 -3.687 2.451 1.00 1.98 H new ATOM 0 HG13 VAL A 113 12.095 -3.183 2.028 1.00 1.98 H new ATOM 0 HG21 VAL A 113 11.332 -1.367 -0.211 1.00 2.39 H new ATOM 0 HG22 VAL A 113 12.637 -2.565 -0.374 1.00 2.39 H new ATOM 0 HG23 VAL A 113 11.320 -2.517 -1.569 1.00 2.39 H new ATOM 1787 N VAL A 114 10.669 -5.973 1.991 1.00 0.96 N ATOM 1788 CA VAL A 114 10.025 -6.803 3.023 1.00 0.81 C ATOM 1789 C VAL A 114 9.462 -5.906 4.136 1.00 0.72 C ATOM 1790 O VAL A 114 10.183 -5.059 4.667 1.00 1.01 O ATOM 1791 CB VAL A 114 10.998 -7.844 3.624 1.00 1.08 C ATOM 1792 CG1 VAL A 114 10.212 -8.916 4.390 1.00 2.07 C ATOM 1793 CG2 VAL A 114 11.863 -8.543 2.557 1.00 1.73 C ATOM 0 H VAL A 114 11.494 -5.493 2.349 1.00 0.96 H new ATOM 0 HA VAL A 114 9.214 -7.353 2.545 1.00 0.81 H new ATOM 0 HB VAL A 114 11.663 -7.295 4.291 1.00 1.08 H new ATOM 0 HG11 VAL A 114 10.905 -9.645 4.810 1.00 2.07 H new ATOM 0 HG12 VAL A 114 9.647 -8.447 5.195 1.00 2.07 H new ATOM 0 HG13 VAL A 114 9.525 -9.419 3.710 1.00 2.07 H new ATOM 0 HG21 VAL A 114 12.525 -9.262 3.039 1.00 1.73 H new ATOM 0 HG22 VAL A 114 11.218 -9.063 1.849 1.00 1.73 H new ATOM 0 HG23 VAL A 114 12.459 -7.800 2.027 1.00 1.73 H new ATOM 1803 N LEU A 115 8.174 -6.079 4.443 1.00 0.67 N ATOM 1804 CA LEU A 115 7.399 -5.311 5.423 1.00 0.78 C ATOM 1805 C LEU A 115 6.873 -6.258 6.533 1.00 0.76 C ATOM 1806 O LEU A 115 6.491 -7.396 6.217 1.00 0.75 O ATOM 1807 CB LEU A 115 6.194 -4.630 4.732 1.00 0.93 C ATOM 1808 CG LEU A 115 6.443 -3.578 3.626 1.00 1.43 C ATOM 1809 CD1 LEU A 115 7.452 -2.502 4.049 1.00 3.12 C ATOM 1810 CD2 LEU A 115 6.846 -4.173 2.268 1.00 1.91 C ATOM 0 H LEU A 115 7.612 -6.799 3.989 1.00 0.67 H new ATOM 0 HA LEU A 115 8.045 -4.550 5.861 1.00 0.78 H new ATOM 0 HB2 LEU A 115 5.578 -5.418 4.300 1.00 0.93 H new ATOM 0 HB3 LEU A 115 5.600 -4.151 5.510 1.00 0.93 H new ATOM 0 HG LEU A 115 5.469 -3.108 3.489 1.00 1.43 H new ATOM 0 HD11 LEU A 115 7.588 -1.791 3.234 1.00 3.12 H new ATOM 0 HD12 LEU A 115 7.078 -1.979 4.929 1.00 3.12 H new ATOM 0 HD13 LEU A 115 8.407 -2.971 4.284 1.00 3.12 H new ATOM 0 HD21 LEU A 115 7.001 -3.368 1.550 1.00 1.91 H new ATOM 0 HD22 LEU A 115 7.769 -4.743 2.380 1.00 1.91 H new ATOM 0 HD23 LEU A 115 6.054 -4.831 1.910 1.00 1.91 H new ATOM 1822 N PRO A 116 6.782 -5.801 7.797 1.00 0.87 N ATOM 1823 CA PRO A 116 6.243 -6.571 8.908 1.00 0.94 C ATOM 1824 C PRO A 116 4.724 -6.742 8.836 1.00 0.82 C ATOM 1825 O PRO A 116 4.009 -5.979 8.172 1.00 0.74 O ATOM 1826 CB PRO A 116 6.645 -5.806 10.174 1.00 1.15 C ATOM 1827 CG PRO A 116 6.703 -4.359 9.690 1.00 1.16 C ATOM 1828 CD PRO A 116 7.300 -4.535 8.299 1.00 1.02 C ATOM 0 HA PRO A 116 6.641 -7.585 8.891 1.00 0.94 H new ATOM 0 HB2 PRO A 116 5.916 -5.936 10.974 1.00 1.15 H new ATOM 0 HB3 PRO A 116 7.607 -6.142 10.561 1.00 1.15 H new ATOM 0 HG2 PRO A 116 5.717 -3.896 9.659 1.00 1.16 H new ATOM 0 HG3 PRO A 116 7.328 -3.736 10.330 1.00 1.16 H new ATOM 0 HD2 PRO A 116 7.016 -3.710 7.645 1.00 1.02 H new ATOM 0 HD3 PRO A 116 8.389 -4.548 8.341 1.00 1.02 H new ATOM 1836 N VAL A 117 4.238 -7.720 9.605 1.00 0.98 N ATOM 1837 CA VAL A 117 2.813 -7.853 9.935 1.00 1.05 C ATOM 1838 C VAL A 117 2.571 -7.614 11.428 1.00 1.13 C ATOM 1839 O VAL A 117 2.919 -8.427 12.285 1.00 1.01 O ATOM 1840 CB VAL A 117 2.232 -9.207 9.492 1.00 1.05 C ATOM 1841 CG1 VAL A 117 0.710 -9.263 9.740 1.00 1.23 C ATOM 1842 CG2 VAL A 117 2.450 -9.427 7.988 1.00 1.09 C ATOM 0 H VAL A 117 4.823 -8.446 10.019 1.00 0.98 H new ATOM 0 HA VAL A 117 2.285 -7.083 9.373 1.00 1.05 H new ATOM 0 HB VAL A 117 2.743 -9.974 10.073 1.00 1.05 H new ATOM 0 HG11 VAL A 117 0.324 -10.230 9.418 1.00 1.23 H new ATOM 0 HG12 VAL A 117 0.509 -9.128 10.803 1.00 1.23 H new ATOM 0 HG13 VAL A 117 0.220 -8.471 9.174 1.00 1.23 H new ATOM 0 HG21 VAL A 117 2.031 -10.390 7.697 1.00 1.09 H new ATOM 0 HG22 VAL A 117 1.956 -8.633 7.429 1.00 1.09 H new ATOM 0 HG23 VAL A 117 3.518 -9.414 7.769 1.00 1.09 H new ATOM 1852 N GLU A 118 1.914 -6.489 11.697 1.00 1.43 N ATOM 1853 CA GLU A 118 1.128 -6.188 12.895 1.00 1.27 C ATOM 1854 C GLU A 118 -0.374 -6.336 12.571 1.00 1.21 C ATOM 1855 O GLU A 118 -0.719 -6.753 11.471 1.00 1.72 O ATOM 1856 CB GLU A 118 1.430 -4.762 13.376 1.00 1.50 C ATOM 1857 CG GLU A 118 2.842 -4.603 13.953 1.00 1.91 C ATOM 1858 CD GLU A 118 2.849 -3.429 14.924 1.00 2.73 C ATOM 1859 OE1 GLU A 118 2.178 -3.531 15.969 1.00 3.27 O ATOM 1860 OE2 GLU A 118 3.382 -2.348 14.613 1.00 3.68 O ATOM 0 H GLU A 118 1.915 -5.709 11.040 1.00 1.43 H new ATOM 0 HA GLU A 118 1.394 -6.885 13.689 1.00 1.27 H new ATOM 0 HB2 GLU A 118 1.306 -4.071 12.542 1.00 1.50 H new ATOM 0 HB3 GLU A 118 0.701 -4.480 14.135 1.00 1.50 H new ATOM 0 HG2 GLU A 118 3.145 -5.517 14.464 1.00 1.91 H new ATOM 0 HG3 GLU A 118 3.560 -4.433 13.151 1.00 1.91 H new ATOM 1867 N ALA A 119 -1.273 -6.018 13.512 1.00 1.31 N ATOM 1868 CA ALA A 119 -2.699 -5.833 13.222 1.00 1.54 C ATOM 1869 C ALA A 119 -3.111 -4.365 13.429 1.00 1.97 C ATOM 1870 O ALA A 119 -3.386 -3.953 14.557 1.00 2.33 O ATOM 1871 CB ALA A 119 -3.508 -6.818 14.076 1.00 1.69 C ATOM 0 H ALA A 119 -1.032 -5.882 14.494 1.00 1.31 H new ATOM 0 HA ALA A 119 -2.908 -6.052 12.175 1.00 1.54 H new ATOM 0 HB1 ALA A 119 -4.571 -6.691 13.870 1.00 1.69 H new ATOM 0 HB2 ALA A 119 -3.211 -7.838 13.834 1.00 1.69 H new ATOM 0 HB3 ALA A 119 -3.318 -6.626 15.132 1.00 1.69 H new ATOM 1877 N ARG A 120 -3.097 -3.573 12.348 1.00 2.30 N ATOM 1878 CA ARG A 120 -3.376 -2.117 12.320 1.00 2.84 C ATOM 1879 C ARG A 120 -4.207 -1.759 11.086 1.00 3.21 C ATOM 1880 O ARG A 120 -3.665 -1.841 9.962 1.00 4.19 O ATOM 1881 CB ARG A 120 -2.070 -1.304 12.348 1.00 3.28 C ATOM 1882 CG ARG A 120 -1.499 -0.847 13.702 1.00 3.09 C ATOM 1883 CD ARG A 120 -1.122 -1.970 14.681 1.00 3.14 C ATOM 1884 NE ARG A 120 0.163 -1.758 15.373 1.00 4.11 N ATOM 1885 CZ ARG A 120 0.628 -0.741 16.059 1.00 5.03 C ATOM 1886 NH1 ARG A 120 -0.109 0.285 16.384 1.00 5.32 N ATOM 1887 NH2 ARG A 120 1.870 -0.759 16.425 1.00 6.36 N ATOM 1888 OXT ARG A 120 -5.401 -1.428 11.225 1.00 3.31 O ATOM 0 H ARG A 120 -2.881 -3.941 11.421 1.00 2.30 H new ATOM 0 HA ARG A 120 -3.949 -1.862 13.212 1.00 2.84 H new ATOM 0 HB2 ARG A 120 -1.303 -1.899 11.852 1.00 3.28 H new ATOM 0 HB3 ARG A 120 -2.225 -0.413 11.740 1.00 3.28 H new ATOM 0 HG2 ARG A 120 -0.613 -0.240 13.515 1.00 3.09 H new ATOM 0 HG3 ARG A 120 -2.232 -0.200 14.185 1.00 3.09 H new ATOM 0 HD2 ARG A 120 -1.912 -2.069 15.426 1.00 3.14 H new ATOM 0 HD3 ARG A 120 -1.078 -2.913 14.136 1.00 3.14 H new ATOM 0 HE ARG A 120 0.808 -2.546 15.306 1.00 4.11 H new ATOM 0 HH11 ARG A 120 -1.089 0.318 16.104 1.00 5.32 H new ATOM 0 HH12 ARG A 120 0.295 1.054 16.919 1.00 5.32 H new ATOM 0 HH21 ARG A 120 2.463 -1.552 16.179 1.00 6.36 H new ATOM 0 HH22 ARG A 120 2.256 0.020 16.959 1.00 6.36 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -9.321 -1.013 -0.391 1.00 0.82 CU