USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 THR OG1 : rot 180:sc= 0.0638 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -108:sc= 0.0623 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.549 K(o=-0.55,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.9!) USER MOD Single : A 38 ASN : amide:sc= -2.55 K(o=-2.6,f=-6.4!) USER MOD Single : A 39 MET CE :methyl -172:sc= -2.14 (180deg=-2.48) USER MOD Single : A 43 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.078) USER MOD Single : A 45 SER OG : rot 180:sc= -0.526 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 0:sc= -2.45! USER MOD Single : A 55 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.5) USER MOD Single : A 63 SER OG : rot -160:sc= 0.841 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= -0.412 (180deg=-1.77!) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.16 USER MOD Single : A 75 ASN : amide:sc= 0.293 X(o=0.29,f=0.29) USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= -0.709 (180deg=-1.66) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.876 (180deg=-1.86!) USER MOD Single : A 82 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.017) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.71 K(o=-0.71,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.803 -3.216 -4.261 1.00 0.00 N ATOM 28 CA THR A 3 6.899 -2.983 -5.193 1.00 0.00 C ATOM 29 C THR A 3 8.239 -2.948 -4.468 1.00 0.00 C ATOM 30 O THR A 3 8.345 -2.491 -3.330 1.00 0.00 O ATOM 31 CB THR A 3 6.710 -1.663 -5.964 1.00 0.00 C ATOM 32 OG1 THR A 3 7.919 -1.319 -6.649 1.00 0.00 O ATOM 33 CG2 THR A 3 6.317 -0.537 -5.019 1.00 0.00 C ATOM 0 HA THR A 3 6.894 -3.812 -5.901 1.00 0.00 H new ATOM 0 HB THR A 3 5.909 -1.802 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.790 -0.480 -7.138 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.189 0.385 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.381 -0.790 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.099 -0.399 -4.273 1.00 0.00 H new ATOM 41 N PRO A 4 9.290 -3.441 -5.141 1.00 0.00 N ATOM 42 CA PRO A 4 10.644 -3.476 -4.580 1.00 0.00 C ATOM 43 C PRO A 4 11.254 -2.084 -4.452 1.00 0.00 C ATOM 44 O PRO A 4 11.784 -1.723 -3.401 1.00 0.00 O ATOM 45 CB PRO A 4 11.427 -4.311 -5.595 1.00 0.00 C ATOM 46 CG PRO A 4 10.686 -4.143 -6.877 1.00 0.00 C ATOM 47 CD PRO A 4 9.237 -4.002 -6.502 1.00 0.00 C ATOM 0 HA PRO A 4 10.656 -3.886 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.456 -3.963 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.470 -5.359 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.036 -3.264 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.838 -5.002 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.707 -3.342 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.722 -4.962 -6.521 1.00 0.00 H new ATOM 55 N ARG A 5 11.175 -1.307 -5.527 1.00 0.00 N ATOM 56 CA ARG A 5 11.720 0.045 -5.534 1.00 0.00 C ATOM 57 C ARG A 5 10.966 0.930 -6.523 1.00 0.00 C ATOM 58 O ARG A 5 10.390 0.442 -7.495 1.00 0.00 O ATOM 59 CB ARG A 5 13.208 0.016 -5.891 1.00 0.00 C ATOM 60 CG ARG A 5 14.123 -0.057 -4.680 1.00 0.00 C ATOM 61 CD ARG A 5 14.797 -1.416 -4.573 1.00 0.00 C ATOM 62 NE ARG A 5 16.154 -1.314 -4.044 1.00 0.00 N ATOM 63 CZ ARG A 5 16.430 -0.982 -2.787 1.00 0.00 C ATOM 64 NH1 ARG A 5 15.448 -0.722 -1.936 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.691 -0.909 -2.381 1.00 0.00 N ATOM 0 H ARG A 5 10.739 -1.591 -6.404 1.00 0.00 H new ATOM 0 HA ARG A 5 11.601 0.463 -4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.402 -0.842 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.452 0.908 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.882 0.722 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.547 0.137 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.204 -2.065 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.826 -1.885 -5.557 1.00 0.00 H new ATOM 0 HE ARG A 5 16.933 -1.508 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.477 -0.776 -2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.663 -0.467 -0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 5 18.449 -1.108 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.902 -0.654 -1.416 1.00 0.00 H new ATOM 79 N PHE A 6 10.975 2.234 -6.267 1.00 0.00 N ATOM 80 CA PHE A 6 10.291 3.187 -7.133 1.00 0.00 C ATOM 81 C PHE A 6 10.698 4.619 -6.795 1.00 0.00 C ATOM 82 O PHE A 6 10.678 5.023 -5.633 1.00 0.00 O ATOM 83 CB PHE A 6 8.775 3.032 -7.001 1.00 0.00 C ATOM 84 CG PHE A 6 8.240 3.480 -5.671 1.00 0.00 C ATOM 85 CD1 PHE A 6 8.181 2.601 -4.602 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.795 4.780 -5.491 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.690 3.011 -3.376 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.303 5.195 -4.268 1.00 0.00 C ATOM 89 CZ PHE A 6 7.249 4.309 -3.210 1.00 0.00 C ATOM 0 H PHE A 6 11.448 2.655 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 6 10.583 2.978 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.289 3.605 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.510 1.986 -7.157 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.522 1.584 -4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.833 5.477 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.651 2.317 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.961 6.211 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.862 4.631 -2.254 1.00 0.00 H new ATOM 99 N SER A 7 11.068 5.380 -7.820 1.00 0.00 N ATOM 100 CA SER A 7 11.484 6.765 -7.633 1.00 0.00 C ATOM 101 C SER A 7 10.670 7.702 -8.519 1.00 0.00 C ATOM 102 O SER A 7 10.346 7.370 -9.660 1.00 0.00 O ATOM 103 CB SER A 7 12.974 6.918 -7.943 1.00 0.00 C ATOM 104 OG SER A 7 13.707 7.252 -6.776 1.00 0.00 O ATOM 0 H SER A 7 11.088 5.061 -8.789 1.00 0.00 H new ATOM 0 HA SER A 7 11.307 7.034 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.358 5.989 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.114 7.692 -8.698 1.00 0.00 H new ATOM 0 HG SER A 7 14.657 7.342 -7.001 1.00 0.00 H new ATOM 110 N ILE A 8 10.342 8.874 -7.986 1.00 0.00 N ATOM 111 CA ILE A 8 9.566 9.860 -8.728 1.00 0.00 C ATOM 112 C ILE A 8 10.409 11.087 -9.059 1.00 0.00 C ATOM 113 O ILE A 8 11.250 11.509 -8.265 1.00 0.00 O ATOM 114 CB ILE A 8 8.320 10.305 -7.940 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.600 9.090 -7.352 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.382 11.100 -8.837 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.306 9.435 -6.650 1.00 0.00 C ATOM 0 H ILE A 8 10.601 9.164 -7.043 1.00 0.00 H new ATOM 0 HA ILE A 8 9.248 9.380 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 8 8.638 10.947 -7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.392 8.379 -8.152 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.264 8.590 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.506 11.408 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.899 11.983 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.068 10.479 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.851 8.525 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.510 10.122 -5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.623 9.907 -7.357 1.00 0.00 H new ATOM 129 N THR A 9 10.177 11.657 -10.238 1.00 0.00 N ATOM 130 CA THR A 9 10.914 12.836 -10.675 1.00 0.00 C ATOM 131 C THR A 9 9.966 13.956 -11.087 1.00 0.00 C ATOM 132 O THR A 9 8.819 13.705 -11.455 1.00 0.00 O ATOM 133 CB THR A 9 11.849 12.509 -11.855 1.00 0.00 C ATOM 134 OG1 THR A 9 12.468 11.234 -11.651 1.00 0.00 O ATOM 135 CG2 THR A 9 12.919 13.579 -12.011 1.00 0.00 C ATOM 0 H THR A 9 9.484 11.321 -10.907 1.00 0.00 H new ATOM 0 HA THR A 9 11.514 13.166 -9.827 1.00 0.00 H new ATOM 0 HB THR A 9 11.251 12.480 -12.766 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.059 11.033 -12.406 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.567 13.326 -12.850 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.445 14.543 -12.196 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.513 13.636 -11.099 1.00 0.00 H new ATOM 143 N GLN A 10 10.453 15.191 -11.024 1.00 0.00 N ATOM 144 CA GLN A 10 9.647 16.349 -11.392 1.00 0.00 C ATOM 145 C GLN A 10 10.198 17.020 -12.646 1.00 0.00 C ATOM 146 O GLN A 10 11.411 17.068 -12.854 1.00 0.00 O ATOM 147 CB GLN A 10 9.604 17.353 -10.239 1.00 0.00 C ATOM 148 CG GLN A 10 9.596 16.702 -8.865 1.00 0.00 C ATOM 149 CD GLN A 10 10.965 16.694 -8.215 1.00 0.00 C ATOM 150 OE1 GLN A 10 11.975 16.970 -8.864 1.00 0.00 O ATOM 151 NE2 GLN A 10 11.007 16.378 -6.926 1.00 0.00 N ATOM 0 H GLN A 10 11.401 15.415 -10.722 1.00 0.00 H new ATOM 0 HA GLN A 10 8.635 16.004 -11.602 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.466 18.016 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.715 17.975 -10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.895 17.232 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.235 15.678 -8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.146 16.156 -6.427 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.901 16.357 -6.435 1.00 0.00 H new ATOM 160 N ASP A 11 9.300 17.536 -13.478 1.00 0.00 N ATOM 161 CA ASP A 11 9.697 18.205 -14.711 1.00 0.00 C ATOM 162 C ASP A 11 9.044 19.580 -14.818 1.00 0.00 C ATOM 163 O ASP A 11 8.255 19.970 -13.958 1.00 0.00 O ATOM 164 CB ASP A 11 9.319 17.352 -15.923 1.00 0.00 C ATOM 165 CG ASP A 11 9.595 15.878 -15.702 1.00 0.00 C ATOM 166 OD1 ASP A 11 8.824 15.235 -14.959 1.00 0.00 O ATOM 167 OD2 ASP A 11 10.581 15.366 -16.272 1.00 0.00 O ATOM 0 H ASP A 11 8.293 17.504 -13.321 1.00 0.00 H new ATOM 0 HA ASP A 11 10.779 18.337 -14.692 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.261 17.491 -16.146 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.876 17.696 -16.794 1.00 0.00 H new ATOM 172 N GLU A 12 9.381 20.308 -15.877 1.00 0.00 N ATOM 173 CA GLU A 12 8.828 21.640 -16.094 1.00 0.00 C ATOM 174 C GLU A 12 7.591 21.578 -16.985 1.00 0.00 C ATOM 175 O GLU A 12 7.267 22.539 -17.682 1.00 0.00 O ATOM 176 CB GLU A 12 9.879 22.556 -16.725 1.00 0.00 C ATOM 177 CG GLU A 12 10.096 22.302 -18.208 1.00 0.00 C ATOM 178 CD GLU A 12 11.489 22.687 -18.668 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.173 23.427 -17.931 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.894 22.248 -19.764 1.00 0.00 O ATOM 0 H GLU A 12 10.033 19.999 -16.598 1.00 0.00 H new ATOM 0 HA GLU A 12 8.536 22.046 -15.125 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.577 23.594 -16.583 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.825 22.425 -16.200 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.926 21.247 -18.421 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.360 22.865 -18.781 1.00 0.00 H new ATOM 187 N GLU A 13 6.905 20.440 -16.956 1.00 0.00 N ATOM 188 CA GLU A 13 5.704 20.252 -17.762 1.00 0.00 C ATOM 189 C GLU A 13 4.786 19.207 -17.134 1.00 0.00 C ATOM 190 O GLU A 13 3.565 19.364 -17.123 1.00 0.00 O ATOM 191 CB GLU A 13 6.079 19.829 -19.184 1.00 0.00 C ATOM 192 CG GLU A 13 7.375 19.040 -19.263 1.00 0.00 C ATOM 193 CD GLU A 13 7.645 18.500 -20.654 1.00 0.00 C ATOM 194 OE1 GLU A 13 6.856 18.804 -21.573 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.647 17.774 -20.823 1.00 0.00 O ATOM 0 H GLU A 13 7.160 19.635 -16.384 1.00 0.00 H new ATOM 0 HA GLU A 13 5.171 21.202 -17.802 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.271 19.227 -19.600 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.167 20.719 -19.807 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.204 19.679 -18.958 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.335 18.211 -18.557 1.00 0.00 H new ATOM 202 N PHE A 14 5.382 18.140 -16.613 1.00 0.00 N ATOM 203 CA PHE A 14 4.619 17.068 -15.985 1.00 0.00 C ATOM 204 C PHE A 14 5.487 16.285 -15.004 1.00 0.00 C ATOM 205 O PHE A 14 6.646 16.631 -14.770 1.00 0.00 O ATOM 206 CB PHE A 14 4.054 16.124 -17.049 1.00 0.00 C ATOM 207 CG PHE A 14 5.112 15.394 -17.825 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.872 16.055 -18.777 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.347 14.047 -17.603 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.847 15.386 -19.493 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.321 13.372 -18.316 1.00 0.00 C ATOM 212 CZ PHE A 14 7.070 14.042 -19.263 1.00 0.00 C ATOM 0 H PHE A 14 6.392 17.995 -16.613 1.00 0.00 H new ATOM 0 HA PHE A 14 3.794 17.518 -15.434 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.401 15.396 -16.568 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.437 16.697 -17.741 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.700 17.105 -18.962 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.763 13.518 -16.865 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.434 15.913 -20.231 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.496 12.322 -18.132 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.829 13.516 -19.823 1.00 0.00 H new ATOM 222 N ILE A 15 4.918 15.229 -14.433 1.00 0.00 N ATOM 223 CA ILE A 15 5.640 14.396 -13.478 1.00 0.00 C ATOM 224 C ILE A 15 6.101 13.093 -14.123 1.00 0.00 C ATOM 225 O ILE A 15 5.383 12.498 -14.927 1.00 0.00 O ATOM 226 CB ILE A 15 4.772 14.068 -12.249 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.784 15.238 -11.262 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.265 12.796 -11.577 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.132 15.467 -10.613 1.00 0.00 C ATOM 0 H ILE A 15 3.960 14.930 -14.615 1.00 0.00 H new ATOM 0 HA ILE A 15 6.511 14.967 -13.156 1.00 0.00 H new ATOM 0 HB ILE A 15 3.746 13.907 -12.580 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.482 16.146 -11.784 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.042 15.055 -10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.642 12.577 -10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.209 11.967 -12.282 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.298 12.931 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.067 16.311 -9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.427 14.574 -10.063 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.874 15.682 -11.382 1.00 0.00 H new ATOM 241 N PHE A 16 7.302 12.654 -13.763 1.00 0.00 N ATOM 242 CA PHE A 16 7.860 11.421 -14.306 1.00 0.00 C ATOM 243 C PHE A 16 8.163 10.425 -13.191 1.00 0.00 C ATOM 244 O PHE A 16 9.205 10.504 -12.539 1.00 0.00 O ATOM 245 CB PHE A 16 9.133 11.718 -15.100 1.00 0.00 C ATOM 246 CG PHE A 16 9.990 10.507 -15.335 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.429 9.323 -15.786 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.355 10.552 -15.104 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.214 8.206 -16.004 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.145 9.439 -15.320 1.00 0.00 C ATOM 251 CZ PHE A 16 11.574 8.264 -15.769 1.00 0.00 C ATOM 0 H PHE A 16 7.908 13.134 -13.097 1.00 0.00 H new ATOM 0 HA PHE A 16 7.120 10.979 -14.973 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.859 12.151 -16.062 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.717 12.469 -14.567 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.366 9.272 -15.969 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.807 11.467 -14.751 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.765 7.290 -16.357 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.208 9.488 -15.138 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.190 7.392 -15.936 1.00 0.00 H new ATOM 261 N LEU A 17 7.246 9.488 -12.977 1.00 0.00 N ATOM 262 CA LEU A 17 7.414 8.475 -11.941 1.00 0.00 C ATOM 263 C LEU A 17 7.969 7.182 -12.528 1.00 0.00 C ATOM 264 O LEU A 17 7.395 6.612 -13.456 1.00 0.00 O ATOM 265 CB LEU A 17 6.078 8.201 -11.246 1.00 0.00 C ATOM 266 CG LEU A 17 5.861 6.772 -10.750 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.914 6.398 -9.719 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.463 6.616 -10.168 1.00 0.00 C ATOM 0 H LEU A 17 6.378 9.409 -13.507 1.00 0.00 H new ATOM 0 HA LEU A 17 8.127 8.855 -11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.988 8.877 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.273 8.450 -11.938 1.00 0.00 H new ATOM 0 HG LEU A 17 5.958 6.095 -11.599 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.743 5.377 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.905 6.469 -10.168 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.851 7.079 -8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.326 5.592 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.338 7.304 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.722 6.840 -10.936 1.00 0.00 H new ATOM 280 N LYS A 18 9.088 6.721 -11.979 1.00 0.00 N ATOM 281 CA LYS A 18 9.721 5.493 -12.445 1.00 0.00 C ATOM 282 C LYS A 18 9.568 4.378 -11.416 1.00 0.00 C ATOM 283 O LYS A 18 9.722 4.605 -10.215 1.00 0.00 O ATOM 284 CB LYS A 18 11.204 5.736 -12.734 1.00 0.00 C ATOM 285 CG LYS A 18 12.113 5.409 -11.562 1.00 0.00 C ATOM 286 CD LYS A 18 13.556 5.787 -11.853 1.00 0.00 C ATOM 287 CE LYS A 18 13.706 7.285 -12.069 1.00 0.00 C ATOM 288 NZ LYS A 18 15.048 7.774 -11.647 1.00 0.00 N ATOM 0 H LYS A 18 9.576 7.180 -11.210 1.00 0.00 H new ATOM 0 HA LYS A 18 9.225 5.185 -13.365 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.502 5.134 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.345 6.780 -13.012 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.769 5.940 -10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.053 4.344 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.190 5.472 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.902 5.254 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.549 7.518 -13.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.934 7.812 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.111 8.799 -11.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.188 7.575 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.784 7.290 -12.200 1.00 0.00 H new ATOM 302 N ILE A 19 9.268 3.175 -11.893 1.00 0.00 N ATOM 303 CA ILE A 19 9.098 2.025 -11.013 1.00 0.00 C ATOM 304 C ILE A 19 10.074 0.910 -11.372 1.00 0.00 C ATOM 305 O ILE A 19 10.169 0.502 -12.530 1.00 0.00 O ATOM 306 CB ILE A 19 7.661 1.475 -11.077 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.650 2.601 -10.854 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.470 0.372 -10.047 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.994 3.087 -12.128 1.00 0.00 C ATOM 0 H ILE A 19 9.138 2.971 -12.884 1.00 0.00 H new ATOM 0 HA ILE A 19 9.301 2.370 -9.999 1.00 0.00 H new ATOM 0 HB ILE A 19 7.493 1.053 -12.068 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.878 2.254 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.153 3.439 -10.371 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.450 -0.007 -10.104 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.170 -0.439 -10.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.654 0.770 -9.049 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.290 3.885 -11.893 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.757 3.465 -12.809 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.462 2.262 -12.601 1.00 0.00 H new ATOM 321 N PHE A 20 10.796 0.419 -10.370 1.00 0.00 N ATOM 322 CA PHE A 20 11.765 -0.651 -10.579 1.00 0.00 C ATOM 323 C PHE A 20 11.109 -2.019 -10.415 1.00 0.00 C ATOM 324 O PHE A 20 10.432 -2.278 -9.419 1.00 0.00 O ATOM 325 CB PHE A 20 12.931 -0.511 -9.598 1.00 0.00 C ATOM 326 CG PHE A 20 13.696 0.772 -9.755 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.675 0.896 -10.728 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.435 1.855 -8.931 1.00 0.00 C ATOM 329 CE1 PHE A 20 15.380 2.075 -10.874 1.00 0.00 C ATOM 330 CE2 PHE A 20 14.138 3.037 -9.073 1.00 0.00 C ATOM 331 CZ PHE A 20 15.111 3.148 -10.047 1.00 0.00 C ATOM 0 H PHE A 20 10.729 0.745 -9.406 1.00 0.00 H new ATOM 0 HA PHE A 20 12.144 -0.569 -11.598 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.548 -0.574 -8.579 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.613 -1.350 -9.734 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.889 0.062 -11.379 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.674 1.775 -8.169 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.142 2.158 -11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.926 3.873 -8.423 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.660 4.071 -10.162 1.00 0.00 H new ATOM 341 N ILE A 21 11.314 -2.889 -11.397 1.00 0.00 N ATOM 342 CA ILE A 21 10.744 -4.230 -11.362 1.00 0.00 C ATOM 343 C ILE A 21 11.619 -5.220 -12.121 1.00 0.00 C ATOM 344 O ILE A 21 12.276 -4.861 -13.099 1.00 0.00 O ATOM 345 CB ILE A 21 9.324 -4.253 -11.959 1.00 0.00 C ATOM 346 CG1 ILE A 21 9.349 -3.763 -13.408 1.00 0.00 C ATOM 347 CG2 ILE A 21 8.383 -3.400 -11.122 1.00 0.00 C ATOM 348 CD1 ILE A 21 8.273 -4.380 -14.274 1.00 0.00 C ATOM 0 H ILE A 21 11.871 -2.689 -12.228 1.00 0.00 H new ATOM 0 HA ILE A 21 10.694 -4.524 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 21 8.958 -5.280 -11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.235 -2.679 -13.418 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.324 -3.985 -13.841 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.384 -3.427 -11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.346 -3.790 -10.105 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.743 -2.371 -11.104 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.351 -3.986 -15.287 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.399 -5.463 -14.294 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.292 -4.136 -13.865 1.00 0.00 H new ATOM 492 N LEU A 31 -3.167 -3.220 -17.056 1.00 0.00 N ATOM 493 CA LEU A 31 -2.384 -1.992 -16.975 1.00 0.00 C ATOM 494 C LEU A 31 -3.261 -0.769 -17.222 1.00 0.00 C ATOM 495 O LEU A 31 -3.843 -0.618 -18.295 1.00 0.00 O ATOM 496 CB LEU A 31 -1.239 -2.025 -17.989 1.00 0.00 C ATOM 497 CG LEU A 31 -0.445 -3.330 -18.062 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.882 -3.108 -18.771 1.00 0.00 C ATOM 499 CD2 LEU A 31 -0.218 -3.895 -16.667 1.00 0.00 C ATOM 0 HA LEU A 31 -1.969 -1.922 -15.970 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.649 -1.817 -18.977 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.548 -1.215 -17.754 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.024 -4.054 -18.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.433 -4.047 -18.814 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.698 -2.749 -19.784 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.467 -2.368 -18.225 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.348 -4.824 -16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.340 -3.174 -16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.180 -4.092 -16.193 1.00 0.00 H new ATOM 511 N GLU A 32 -3.350 0.102 -16.221 1.00 0.00 N ATOM 512 CA GLU A 32 -4.155 1.312 -16.331 1.00 0.00 C ATOM 513 C GLU A 32 -3.963 2.207 -15.110 1.00 0.00 C ATOM 514 O GLU A 32 -4.755 2.168 -14.168 1.00 0.00 O ATOM 515 CB GLU A 32 -5.635 0.954 -16.486 1.00 0.00 C ATOM 516 CG GLU A 32 -6.148 1.092 -17.910 1.00 0.00 C ATOM 517 CD GLU A 32 -7.617 1.463 -17.967 1.00 0.00 C ATOM 518 OE1 GLU A 32 -7.935 2.658 -17.796 1.00 0.00 O ATOM 519 OE2 GLU A 32 -8.449 0.557 -18.184 1.00 0.00 O ATOM 0 H GLU A 32 -2.874 -0.008 -15.325 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.825 1.857 -17.215 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.789 -0.072 -16.151 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.226 1.595 -15.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.565 1.852 -18.430 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.993 0.153 -18.441 1.00 0.00 H new ATOM 526 N ILE A 33 -2.905 3.011 -15.134 1.00 0.00 N ATOM 527 CA ILE A 33 -2.609 3.916 -14.030 1.00 0.00 C ATOM 528 C ILE A 33 -3.540 5.123 -14.043 1.00 0.00 C ATOM 529 O ILE A 33 -3.732 5.761 -15.079 1.00 0.00 O ATOM 530 CB ILE A 33 -1.150 4.407 -14.081 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.186 3.223 -13.974 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.890 5.411 -12.968 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.255 3.590 -14.252 1.00 0.00 C ATOM 0 H ILE A 33 -2.239 3.054 -15.905 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.763 3.352 -13.110 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.982 4.902 -15.037 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.257 2.796 -12.974 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.497 2.448 -14.674 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.145 5.749 -13.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.556 6.265 -13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.072 4.939 -12.002 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.881 2.703 -14.158 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.340 3.989 -15.263 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.583 4.343 -13.536 1.00 0.00 H new ATOM 545 N ILE A 34 -4.116 5.432 -12.886 1.00 0.00 N ATOM 546 CA ILE A 34 -5.025 6.565 -12.764 1.00 0.00 C ATOM 547 C ILE A 34 -4.580 7.510 -11.653 1.00 0.00 C ATOM 548 O ILE A 34 -3.881 7.105 -10.723 1.00 0.00 O ATOM 549 CB ILE A 34 -6.466 6.101 -12.481 1.00 0.00 C ATOM 550 CG1 ILE A 34 -6.574 5.530 -11.066 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.902 5.068 -13.510 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.258 6.461 -10.089 1.00 0.00 C ATOM 0 H ILE A 34 -3.969 4.914 -12.020 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.002 7.093 -13.717 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.130 6.962 -12.556 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.123 4.589 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.574 5.301 -10.698 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.922 4.750 -13.296 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.860 5.507 -14.507 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.236 4.206 -13.465 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.299 5.991 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.698 7.394 -10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.271 6.670 -10.434 1.00 0.00 H new ATOM 564 N ILE A 35 -4.990 8.769 -11.756 1.00 0.00 N ATOM 565 CA ILE A 35 -4.635 9.771 -10.758 1.00 0.00 C ATOM 566 C ILE A 35 -5.877 10.314 -10.059 1.00 0.00 C ATOM 567 O ILE A 35 -6.837 10.725 -10.711 1.00 0.00 O ATOM 568 CB ILE A 35 -3.860 10.944 -11.388 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.628 10.427 -12.134 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.457 11.947 -10.319 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.751 10.516 -13.639 1.00 0.00 C ATOM 0 H ILE A 35 -5.568 9.120 -12.520 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.996 9.276 -10.027 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.510 11.448 -12.104 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.755 10.996 -11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.452 9.389 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.910 12.770 -10.780 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.350 12.334 -9.828 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.821 11.457 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.842 10.132 -14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.604 9.924 -13.970 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.896 11.556 -13.931 1.00 0.00 H new ATOM 583 N GLN A 36 -5.849 10.314 -8.731 1.00 0.00 N ATOM 584 CA GLN A 36 -6.973 10.808 -7.944 1.00 0.00 C ATOM 585 C GLN A 36 -7.073 12.328 -8.032 1.00 0.00 C ATOM 586 O GLN A 36 -6.410 12.955 -8.857 1.00 0.00 O ATOM 587 CB GLN A 36 -6.828 10.379 -6.483 1.00 0.00 C ATOM 588 CG GLN A 36 -8.000 9.556 -5.971 1.00 0.00 C ATOM 589 CD GLN A 36 -9.341 10.139 -6.372 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.788 11.140 -5.811 1.00 0.00 O ATOM 591 NE2 GLN A 36 -9.990 9.514 -7.347 1.00 0.00 N ATOM 0 H GLN A 36 -5.061 9.978 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.887 10.377 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.912 9.799 -6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.720 11.268 -5.861 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.921 8.539 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.946 9.491 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.581 8.688 -7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.897 9.860 -7.660 1.00 0.00 H new ATOM 600 N GLU A 37 -7.906 12.912 -7.176 1.00 0.00 N ATOM 601 CA GLU A 37 -8.093 14.358 -7.159 1.00 0.00 C ATOM 602 C GLU A 37 -6.751 15.079 -7.066 1.00 0.00 C ATOM 603 O GLU A 37 -6.566 16.146 -7.649 1.00 0.00 O ATOM 604 CB GLU A 37 -8.986 14.765 -5.985 1.00 0.00 C ATOM 605 CG GLU A 37 -8.608 14.099 -4.673 1.00 0.00 C ATOM 606 CD GLU A 37 -8.844 14.996 -3.474 1.00 0.00 C ATOM 607 OE1 GLU A 37 -9.481 16.057 -3.642 1.00 0.00 O ATOM 608 OE2 GLU A 37 -8.391 14.637 -2.367 1.00 0.00 O ATOM 0 H GLU A 37 -8.461 12.406 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.577 14.647 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.938 15.847 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.020 14.518 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.186 13.182 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.557 13.811 -4.705 1.00 0.00 H new ATOM 615 N ASN A 38 -5.818 14.487 -6.327 1.00 0.00 N ATOM 616 CA ASN A 38 -4.493 15.072 -6.156 1.00 0.00 C ATOM 617 C ASN A 38 -3.417 13.991 -6.154 1.00 0.00 C ATOM 618 O ASN A 38 -2.411 14.101 -6.855 1.00 0.00 O ATOM 619 CB ASN A 38 -4.431 15.872 -4.853 1.00 0.00 C ATOM 620 CG ASN A 38 -4.813 15.040 -3.645 1.00 0.00 C ATOM 621 OD1 ASN A 38 -5.994 14.863 -3.347 1.00 0.00 O ATOM 622 ND2 ASN A 38 -3.811 14.524 -2.942 1.00 0.00 N ATOM 0 H ASN A 38 -5.955 13.603 -5.837 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.308 15.742 -6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.422 16.263 -4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.098 16.731 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.006 13.955 -2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.847 14.697 -3.226 1.00 0.00 H new ATOM 629 N MET A 39 -3.636 12.947 -5.362 1.00 0.00 N ATOM 630 CA MET A 39 -2.686 11.845 -5.270 1.00 0.00 C ATOM 631 C MET A 39 -2.736 10.978 -6.524 1.00 0.00 C ATOM 632 O MET A 39 -3.619 11.140 -7.367 1.00 0.00 O ATOM 633 CB MET A 39 -2.979 10.992 -4.034 1.00 0.00 C ATOM 634 CG MET A 39 -3.714 9.699 -4.349 1.00 0.00 C ATOM 635 SD MET A 39 -4.521 8.989 -2.901 1.00 0.00 S ATOM 636 CE MET A 39 -3.138 8.866 -1.769 1.00 0.00 C ATOM 0 H MET A 39 -4.463 12.841 -4.775 1.00 0.00 H new ATOM 0 HA MET A 39 -1.685 12.268 -5.182 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.039 10.754 -3.536 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.573 11.576 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.461 9.889 -5.120 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.009 8.975 -4.759 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.444 8.315 -0.880 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.315 8.342 -2.255 1.00 0.00 H new ATOM 0 HE3 MET A 39 -2.812 9.866 -1.482 1.00 0.00 H new ATOM 646 N ILE A 40 -1.784 10.059 -6.641 1.00 0.00 N ATOM 647 CA ILE A 40 -1.721 9.167 -7.792 1.00 0.00 C ATOM 648 C ILE A 40 -1.922 7.714 -7.374 1.00 0.00 C ATOM 649 O ILE A 40 -1.371 7.265 -6.368 1.00 0.00 O ATOM 650 CB ILE A 40 -0.376 9.294 -8.531 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.273 10.658 -9.217 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.220 8.172 -9.546 1.00 0.00 C ATOM 653 CD1 ILE A 40 1.026 10.862 -9.965 1.00 0.00 C ATOM 0 H ILE A 40 -1.046 9.912 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.526 9.464 -8.465 1.00 0.00 H new ATOM 0 HB ILE A 40 0.430 9.212 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.105 10.769 -9.913 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.378 11.442 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.736 8.276 -10.060 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.254 7.211 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.030 8.224 -10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.029 11.850 -10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.862 10.783 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.124 10.100 -10.739 1.00 0.00 H new ATOM 665 N ILE A 41 -2.714 6.984 -8.152 1.00 0.00 N ATOM 666 CA ILE A 41 -2.985 5.581 -7.864 1.00 0.00 C ATOM 667 C ILE A 41 -2.307 4.670 -8.881 1.00 0.00 C ATOM 668 O ILE A 41 -2.574 4.752 -10.080 1.00 0.00 O ATOM 669 CB ILE A 41 -4.498 5.290 -7.859 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.200 6.143 -6.800 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.751 3.811 -7.609 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.645 5.954 -5.406 1.00 0.00 C ATOM 0 H ILE A 41 -3.179 7.341 -8.987 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.581 5.378 -6.872 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.907 5.549 -8.836 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.115 7.194 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.263 5.900 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.824 3.621 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.279 3.223 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.332 3.528 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.190 6.589 -4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.755 4.911 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.589 6.225 -5.395 1.00 0.00 H new ATOM 684 N PHE A 42 -1.428 3.800 -8.394 1.00 0.00 N ATOM 685 CA PHE A 42 -0.711 2.871 -9.260 1.00 0.00 C ATOM 686 C PHE A 42 -1.396 1.508 -9.280 1.00 0.00 C ATOM 687 O PHE A 42 -1.313 0.744 -8.318 1.00 0.00 O ATOM 688 CB PHE A 42 0.738 2.720 -8.792 1.00 0.00 C ATOM 689 CG PHE A 42 1.520 1.710 -9.582 1.00 0.00 C ATOM 690 CD1 PHE A 42 2.016 2.025 -10.837 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.760 0.445 -9.070 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.735 1.097 -11.566 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.479 -0.487 -9.794 1.00 0.00 C ATOM 694 CZ PHE A 42 2.968 -0.160 -11.043 1.00 0.00 C ATOM 0 H PHE A 42 -1.195 3.719 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.718 3.276 -10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.236 3.687 -8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.744 2.431 -7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.839 3.007 -11.250 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.380 0.184 -8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.114 1.354 -12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.658 -1.470 -9.383 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.532 -0.886 -11.610 1.00 0.00 H new ATOM 704 N HIS A 43 -2.074 1.209 -10.384 1.00 0.00 N ATOM 705 CA HIS A 43 -2.774 -0.062 -10.531 1.00 0.00 C ATOM 706 C HIS A 43 -2.006 -1.001 -11.457 1.00 0.00 C ATOM 707 O HIS A 43 -2.224 -2.214 -11.448 1.00 0.00 O ATOM 708 CB HIS A 43 -4.185 0.168 -11.073 1.00 0.00 C ATOM 709 CG HIS A 43 -5.229 -0.669 -10.401 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.582 -0.450 -10.552 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.112 -1.732 -9.571 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.252 -1.341 -9.843 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.383 -2.131 -9.238 1.00 0.00 N ATOM 0 H HIS A 43 -2.153 1.830 -11.190 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.843 -0.527 -9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.443 1.220 -10.955 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.194 -0.044 -12.142 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.190 -2.183 -9.233 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.327 -1.412 -9.770 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.618 -2.910 -8.624 1.00 0.00 H new ATOM 721 N LEU A 44 -1.109 -0.433 -12.255 1.00 0.00 N ATOM 722 CA LEU A 44 -0.309 -1.219 -13.189 1.00 0.00 C ATOM 723 C LEU A 44 0.427 -2.342 -12.464 1.00 0.00 C ATOM 724 O LEU A 44 0.723 -2.236 -11.274 1.00 0.00 O ATOM 725 CB LEU A 44 0.694 -0.321 -13.913 1.00 0.00 C ATOM 726 CG LEU A 44 0.951 -0.651 -15.384 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.215 0.619 -16.178 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.118 -1.618 -15.518 1.00 0.00 C ATOM 0 H LEU A 44 -0.917 0.569 -12.274 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.983 -1.664 -13.921 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.342 0.709 -13.849 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.644 -0.367 -13.380 1.00 0.00 H new ATOM 0 HG LEU A 44 0.060 -1.130 -15.790 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.396 0.364 -17.222 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.349 1.277 -16.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.090 1.127 -15.772 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.286 -1.841 -16.572 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.015 -1.166 -15.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.890 -2.540 -14.984 1.00 0.00 H new ATOM 740 N SER A 45 0.720 -3.416 -13.190 1.00 0.00 N ATOM 741 CA SER A 45 1.420 -4.559 -12.616 1.00 0.00 C ATOM 742 C SER A 45 0.583 -5.215 -11.522 1.00 0.00 C ATOM 743 O SER A 45 -0.409 -4.662 -11.048 1.00 0.00 O ATOM 744 CB SER A 45 2.772 -4.123 -12.048 1.00 0.00 C ATOM 745 OG SER A 45 3.841 -4.702 -12.775 1.00 0.00 O ATOM 0 H SER A 45 0.483 -3.519 -14.177 1.00 0.00 H new ATOM 0 HA SER A 45 1.585 -5.288 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.851 -3.036 -12.082 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.841 -4.415 -11.000 1.00 0.00 H new ATOM 0 HG SER A 45 4.694 -4.407 -12.393 1.00 0.00 H new ATOM 751 N PRO A 46 0.992 -6.425 -11.111 1.00 0.00 N ATOM 752 CA PRO A 46 0.295 -7.183 -10.068 1.00 0.00 C ATOM 753 C PRO A 46 0.453 -6.553 -8.689 1.00 0.00 C ATOM 754 O PRO A 46 -0.147 -7.008 -7.715 1.00 0.00 O ATOM 755 CB PRO A 46 0.976 -8.553 -10.111 1.00 0.00 C ATOM 756 CG PRO A 46 2.332 -8.285 -10.666 1.00 0.00 C ATOM 757 CD PRO A 46 2.166 -7.144 -11.632 1.00 0.00 C ATOM 0 HA PRO A 46 -0.781 -7.220 -10.241 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.036 -8.997 -9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.422 -9.251 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.034 -8.026 -9.873 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.729 -9.167 -11.168 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.050 -6.506 -11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.001 -7.499 -12.649 1.00 0.00 H new ATOM 765 N TYR A 47 1.263 -5.503 -8.613 1.00 0.00 N ATOM 766 CA TYR A 47 1.501 -4.811 -7.352 1.00 0.00 C ATOM 767 C TYR A 47 0.828 -3.442 -7.346 1.00 0.00 C ATOM 768 O TYR A 47 1.002 -2.648 -8.271 1.00 0.00 O ATOM 769 CB TYR A 47 3.003 -4.654 -7.107 1.00 0.00 C ATOM 770 CG TYR A 47 3.805 -5.888 -7.454 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.417 -7.143 -6.999 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.950 -5.800 -8.236 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.147 -8.273 -7.313 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.685 -6.925 -8.556 1.00 0.00 C ATOM 775 CZ TYR A 47 5.280 -8.159 -8.092 1.00 0.00 C ATOM 776 OH TYR A 47 6.010 -9.282 -8.407 1.00 0.00 O ATOM 0 H TYR A 47 1.766 -5.112 -9.410 1.00 0.00 H new ATOM 0 HA TYR A 47 1.070 -5.411 -6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.373 -3.814 -7.694 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.168 -4.407 -6.058 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.530 -7.236 -6.390 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.271 -4.835 -8.600 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.832 -9.241 -6.951 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.572 -6.839 -9.166 1.00 0.00 H new ATOM 0 HH TYR A 47 6.776 -9.029 -8.963 1.00 0.00 H new ATOM 786 N TYR A 48 0.060 -3.172 -6.296 1.00 0.00 N ATOM 787 CA TYR A 48 -0.642 -1.900 -6.169 1.00 0.00 C ATOM 788 C TYR A 48 0.170 -0.911 -5.338 1.00 0.00 C ATOM 789 O TYR A 48 0.671 -1.248 -4.264 1.00 0.00 O ATOM 790 CB TYR A 48 -2.015 -2.113 -5.531 1.00 0.00 C ATOM 791 CG TYR A 48 -2.797 -0.833 -5.336 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.681 -0.097 -4.164 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.651 -0.361 -6.326 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.394 1.072 -3.982 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.367 0.808 -6.153 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.236 1.521 -4.979 1.00 0.00 C ATOM 797 OH TYR A 48 -4.947 2.685 -4.802 1.00 0.00 O ATOM 0 H TYR A 48 -0.092 -3.817 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.774 -1.485 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.595 -2.792 -6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.886 -2.601 -4.565 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.022 -0.444 -3.382 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.757 -0.917 -7.246 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.293 1.632 -3.064 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.026 1.162 -6.932 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.741 3.064 -3.922 1.00 0.00 H new ATOM 807 N LEU A 49 0.296 0.311 -5.842 1.00 0.00 N ATOM 808 CA LEU A 49 1.046 1.352 -5.147 1.00 0.00 C ATOM 809 C LEU A 49 0.223 2.631 -5.030 1.00 0.00 C ATOM 810 O LEU A 49 -0.526 2.984 -5.941 1.00 0.00 O ATOM 811 CB LEU A 49 2.356 1.641 -5.883 1.00 0.00 C ATOM 812 CG LEU A 49 3.601 1.778 -5.006 1.00 0.00 C ATOM 813 CD1 LEU A 49 4.813 2.136 -5.852 1.00 0.00 C ATOM 814 CD2 LEU A 49 3.378 2.823 -3.922 1.00 0.00 C ATOM 0 H LEU A 49 -0.111 0.606 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 49 1.271 0.994 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.529 0.841 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.234 2.562 -6.453 1.00 0.00 H new ATOM 0 HG LEU A 49 3.790 0.819 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.690 2.229 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.985 1.353 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.634 3.083 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.274 2.907 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.163 3.787 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.536 2.525 -3.297 1.00 0.00 H new ATOM 826 N ARG A 50 0.368 3.321 -3.904 1.00 0.00 N ATOM 827 CA ARG A 50 -0.361 4.561 -3.668 1.00 0.00 C ATOM 828 C ARG A 50 0.595 5.695 -3.314 1.00 0.00 C ATOM 829 O ARG A 50 1.281 5.647 -2.291 1.00 0.00 O ATOM 830 CB ARG A 50 -1.383 4.371 -2.545 1.00 0.00 C ATOM 831 CG ARG A 50 -2.129 5.644 -2.179 1.00 0.00 C ATOM 832 CD ARG A 50 -3.594 5.364 -1.882 1.00 0.00 C ATOM 833 NE ARG A 50 -3.758 4.392 -0.804 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.925 3.849 -0.476 1.00 0.00 C ATOM 835 NH1 ARG A 50 -6.024 4.180 -1.140 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.994 2.971 0.517 1.00 0.00 N ATOM 0 H ARG A 50 0.984 3.042 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.885 4.825 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.104 3.611 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.872 3.992 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.661 6.104 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.053 6.360 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.093 6.294 -1.610 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.082 4.992 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.931 4.115 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.975 4.853 -1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.919 3.761 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.150 2.713 1.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.891 2.555 0.768 1.00 0.00 H new ATOM 850 N LEU A 51 0.637 6.715 -4.164 1.00 0.00 N ATOM 851 CA LEU A 51 1.510 7.862 -3.942 1.00 0.00 C ATOM 852 C LEU A 51 0.700 9.096 -3.557 1.00 0.00 C ATOM 853 O LEU A 51 -0.320 9.399 -4.176 1.00 0.00 O ATOM 854 CB LEU A 51 2.335 8.151 -5.197 1.00 0.00 C ATOM 855 CG LEU A 51 3.189 6.995 -5.719 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.637 7.266 -7.147 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.391 6.768 -4.815 1.00 0.00 C ATOM 0 H LEU A 51 0.076 6.771 -5.014 1.00 0.00 H new ATOM 0 HA LEU A 51 2.184 7.621 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.656 8.462 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.991 8.996 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 51 2.582 6.090 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.244 6.433 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.762 7.377 -7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.227 8.182 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.987 5.942 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.000 7.672 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.049 6.528 -3.808 1.00 0.00 H new ATOM 869 N ARG A 52 1.163 9.805 -2.532 1.00 0.00 N ATOM 870 CA ARG A 52 0.482 11.007 -2.066 1.00 0.00 C ATOM 871 C ARG A 52 1.437 12.197 -2.037 1.00 0.00 C ATOM 872 O ARG A 52 2.310 12.285 -1.173 1.00 0.00 O ATOM 873 CB ARG A 52 -0.105 10.778 -0.672 1.00 0.00 C ATOM 874 CG ARG A 52 -0.957 11.933 -0.172 1.00 0.00 C ATOM 875 CD ARG A 52 -2.226 11.439 0.504 1.00 0.00 C ATOM 876 NE ARG A 52 -2.614 12.286 1.628 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.508 11.930 2.543 1.00 0.00 C ATOM 878 NH1 ARG A 52 -4.103 10.748 2.468 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.808 12.756 3.537 1.00 0.00 N ATOM 0 H ARG A 52 2.006 9.568 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.327 11.229 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.710 9.871 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.709 10.607 0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.380 12.534 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.218 12.582 -1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.037 11.410 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.076 10.418 0.855 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.174 13.202 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.874 10.109 1.706 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.789 10.477 3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.352 13.666 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.495 12.481 4.239 1.00 0.00 H new ATOM 893 N PHE A 53 1.266 13.109 -2.989 1.00 0.00 N ATOM 894 CA PHE A 53 2.114 14.293 -3.074 1.00 0.00 C ATOM 895 C PHE A 53 1.458 15.482 -2.378 1.00 0.00 C ATOM 896 O PHE A 53 0.241 15.540 -2.208 1.00 0.00 O ATOM 897 CB PHE A 53 2.400 14.637 -4.537 1.00 0.00 C ATOM 898 CG PHE A 53 2.843 13.458 -5.355 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.524 12.405 -4.764 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.580 13.402 -6.714 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.933 11.318 -5.514 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.986 12.318 -7.468 1.00 0.00 C ATOM 903 CZ PHE A 53 3.665 11.275 -6.868 1.00 0.00 C ATOM 0 H PHE A 53 0.549 13.051 -3.712 1.00 0.00 H new ATOM 0 HA PHE A 53 3.055 14.073 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.501 15.062 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.171 15.407 -4.577 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.737 12.434 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.052 14.215 -7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.462 10.503 -5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.773 12.286 -8.526 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.985 10.428 -7.457 1.00 0.00 H new ATOM 913 N PRO A 54 2.285 16.455 -1.966 1.00 0.00 N ATOM 914 CA PRO A 54 1.809 17.661 -1.282 1.00 0.00 C ATOM 915 C PRO A 54 1.028 18.584 -2.211 1.00 0.00 C ATOM 916 O PRO A 54 0.446 19.576 -1.771 1.00 0.00 O ATOM 917 CB PRO A 54 3.101 18.338 -0.817 1.00 0.00 C ATOM 918 CG PRO A 54 4.144 17.854 -1.764 1.00 0.00 C ATOM 919 CD PRO A 54 3.748 16.452 -2.136 1.00 0.00 C ATOM 0 HA PRO A 54 1.120 17.425 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.012 19.424 -0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.343 18.066 0.211 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.196 18.492 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.130 17.871 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.033 16.212 -3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.226 15.715 -1.491 1.00 0.00 H new ATOM 927 N HIS A 55 1.019 18.251 -3.498 1.00 0.00 N ATOM 928 CA HIS A 55 0.308 19.051 -4.489 1.00 0.00 C ATOM 929 C HIS A 55 -0.877 18.278 -5.062 1.00 0.00 C ATOM 930 O HIS A 55 -1.218 17.200 -4.577 1.00 0.00 O ATOM 931 CB HIS A 55 1.255 19.464 -5.616 1.00 0.00 C ATOM 932 CG HIS A 55 2.404 20.306 -5.155 1.00 0.00 C ATOM 933 ND1 HIS A 55 2.363 21.684 -5.126 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.630 19.958 -4.700 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.515 22.148 -4.676 1.00 0.00 C ATOM 936 NE2 HIS A 55 4.302 21.120 -4.409 1.00 0.00 N ATOM 0 H HIS A 55 1.496 17.433 -3.879 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.069 19.946 -3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.643 18.568 -6.100 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.691 20.014 -6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.010 18.953 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.770 23.190 -4.548 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.253 21.180 -4.046 1.00 0.00 H new ATOM 944 N GLU A 56 -1.499 18.838 -6.094 1.00 0.00 N ATOM 945 CA GLU A 56 -2.647 18.202 -6.730 1.00 0.00 C ATOM 946 C GLU A 56 -2.418 18.044 -8.231 1.00 0.00 C ATOM 947 O GLU A 56 -2.180 19.022 -8.940 1.00 0.00 O ATOM 948 CB GLU A 56 -3.915 19.019 -6.479 1.00 0.00 C ATOM 949 CG GLU A 56 -3.706 20.519 -6.597 1.00 0.00 C ATOM 950 CD GLU A 56 -3.210 21.142 -5.307 1.00 0.00 C ATOM 951 OE1 GLU A 56 -3.747 20.795 -4.234 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.283 21.977 -5.370 1.00 0.00 O ATOM 0 H GLU A 56 -1.228 19.730 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.770 17.211 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.682 18.711 -7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.293 18.791 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.989 20.721 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.645 20.991 -6.887 1.00 0.00 H new ATOM 959 N LEU A 57 -2.493 16.806 -8.707 1.00 0.00 N ATOM 960 CA LEU A 57 -2.294 16.519 -10.124 1.00 0.00 C ATOM 961 C LEU A 57 -3.628 16.270 -10.821 1.00 0.00 C ATOM 962 O LEU A 57 -4.685 16.305 -10.191 1.00 0.00 O ATOM 963 CB LEU A 57 -1.382 15.303 -10.294 1.00 0.00 C ATOM 964 CG LEU A 57 -0.093 15.310 -9.471 1.00 0.00 C ATOM 965 CD1 LEU A 57 0.266 13.900 -9.029 1.00 0.00 C ATOM 966 CD2 LEU A 57 1.046 15.927 -10.269 1.00 0.00 C ATOM 0 H LEU A 57 -2.690 15.986 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.821 17.387 -10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.950 14.409 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.116 15.218 -11.348 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.257 15.917 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.186 13.925 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.541 13.494 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.410 13.269 -9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.955 15.924 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.210 15.347 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.790 16.953 -10.534 1.00 0.00 H new ATOM 978 N ILE A 58 -3.570 16.016 -12.124 1.00 0.00 N ATOM 979 CA ILE A 58 -4.773 15.758 -12.906 1.00 0.00 C ATOM 980 C ILE A 58 -4.546 14.629 -13.906 1.00 0.00 C ATOM 981 O ILE A 58 -3.467 14.505 -14.484 1.00 0.00 O ATOM 982 CB ILE A 58 -5.232 17.016 -13.665 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.470 16.706 -14.508 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.107 17.547 -14.541 1.00 0.00 C ATOM 985 CD1 ILE A 58 -7.050 17.921 -15.200 1.00 0.00 C ATOM 0 H ILE A 58 -2.703 15.983 -12.660 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.551 15.466 -12.201 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.494 17.785 -12.938 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.211 15.960 -15.259 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.234 16.263 -13.868 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.447 18.437 -15.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.250 17.802 -13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.817 16.784 -15.263 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.925 17.627 -15.779 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.341 18.660 -14.454 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.302 18.352 -15.866 1.00 0.00 H new ATOM 997 N ASP A 59 -5.572 13.809 -14.106 1.00 0.00 N ATOM 998 CA ASP A 59 -5.487 12.691 -15.039 1.00 0.00 C ATOM 999 C ASP A 59 -6.218 13.011 -16.339 1.00 0.00 C ATOM 1000 O ASP A 59 -7.446 12.960 -16.401 1.00 0.00 O ATOM 1001 CB ASP A 59 -6.073 11.427 -14.408 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.578 10.443 -15.445 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.825 10.144 -16.395 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.727 9.973 -15.307 1.00 0.00 O ATOM 0 H ASP A 59 -6.472 13.897 -13.635 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.435 12.520 -15.267 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.312 10.945 -13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.892 11.702 -13.743 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.454 13.343 -17.374 1.00 0.00 N ATOM 1010 CA ASP A 60 -6.029 13.672 -18.673 1.00 0.00 C ATOM 1011 C ASP A 60 -5.702 12.593 -19.701 1.00 0.00 C ATOM 1012 O ASP A 60 -5.238 11.509 -19.350 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.511 15.028 -19.156 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.616 15.908 -19.704 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.520 16.281 -18.927 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -6.577 16.226 -20.911 1.00 0.00 O ATOM 0 H ASP A 60 -4.436 13.391 -17.339 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.112 13.725 -18.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.018 15.541 -18.330 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.758 14.872 -19.929 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.948 12.899 -20.971 1.00 0.00 N ATOM 1022 CA GLU A 61 -5.681 11.954 -22.049 1.00 0.00 C ATOM 1023 C GLU A 61 -4.182 11.710 -22.201 1.00 0.00 C ATOM 1024 O GLU A 61 -3.757 10.641 -22.639 1.00 0.00 O ATOM 1025 CB GLU A 61 -6.260 12.472 -23.367 1.00 0.00 C ATOM 1026 CG GLU A 61 -5.635 13.776 -23.836 1.00 0.00 C ATOM 1027 CD GLU A 61 -4.467 13.557 -24.778 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -4.682 12.988 -25.868 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -3.338 13.956 -24.424 1.00 0.00 O ATOM 0 H GLU A 61 -6.331 13.793 -21.278 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.162 11.009 -21.796 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.121 11.714 -24.138 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.334 12.615 -23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.393 14.378 -24.337 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.297 14.345 -22.970 1.00 0.00 H new ATOM 1036 N ARG A 62 -3.386 12.710 -21.835 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.935 12.606 -21.931 1.00 0.00 C ATOM 1038 C ARG A 62 -1.402 11.546 -20.972 1.00 0.00 C ATOM 1039 O ARG A 62 -0.384 10.907 -21.241 1.00 0.00 O ATOM 1040 CB ARG A 62 -1.285 13.957 -21.628 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.824 14.625 -20.373 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.497 15.950 -20.693 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.527 17.029 -20.866 1.00 0.00 N ATOM 1044 CZ ARG A 62 -1.138 17.484 -22.051 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -1.634 16.958 -23.163 1.00 0.00 N ATOM 1046 NH2 ARG A 62 -0.252 18.469 -22.127 1.00 0.00 N ATOM 0 H ARG A 62 -3.722 13.601 -21.469 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.683 12.310 -22.949 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.209 13.817 -21.521 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.437 14.623 -22.478 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.538 13.962 -19.884 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.009 14.790 -19.669 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.089 15.846 -21.602 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.188 16.209 -19.891 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.127 17.456 -20.031 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.316 16.202 -23.109 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.333 17.310 -24.072 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.131 18.877 -21.274 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.046 18.818 -23.038 1.00 0.00 H new ATOM 1060 N SER A 63 -2.095 11.364 -19.853 1.00 0.00 N ATOM 1061 CA SER A 63 -1.689 10.385 -18.852 1.00 0.00 C ATOM 1062 C SER A 63 -1.450 9.021 -19.493 1.00 0.00 C ATOM 1063 O SER A 63 -2.276 8.529 -20.263 1.00 0.00 O ATOM 1064 CB SER A 63 -2.754 10.268 -17.760 1.00 0.00 C ATOM 1065 OG SER A 63 -3.718 9.284 -18.091 1.00 0.00 O ATOM 0 H SER A 63 -2.941 11.882 -19.617 1.00 0.00 H new ATOM 0 HA SER A 63 -0.756 10.726 -18.404 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.281 10.013 -16.812 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.245 11.231 -17.622 1.00 0.00 H new ATOM 0 HG SER A 63 -4.536 9.440 -17.574 1.00 0.00 H new ATOM 1071 N THR A 64 -0.312 8.413 -19.169 1.00 0.00 N ATOM 1072 CA THR A 64 0.038 7.107 -19.713 1.00 0.00 C ATOM 1073 C THR A 64 1.376 6.624 -19.165 1.00 0.00 C ATOM 1074 O THR A 64 2.127 7.395 -18.567 1.00 0.00 O ATOM 1075 CB THR A 64 0.108 7.139 -21.251 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.464 5.846 -21.752 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.122 8.169 -21.725 1.00 0.00 C ATOM 0 H THR A 64 0.382 8.805 -18.533 1.00 0.00 H new ATOM 0 HA THR A 64 -0.748 6.417 -19.407 1.00 0.00 H new ATOM 0 HB THR A 64 -0.875 7.418 -21.632 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.505 5.874 -22.731 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.154 8.173 -22.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.832 9.157 -21.366 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.108 7.916 -21.334 1.00 0.00 H new ATOM 1085 N ALA A 65 1.668 5.344 -19.372 1.00 0.00 N ATOM 1086 CA ALA A 65 2.917 4.760 -18.901 1.00 0.00 C ATOM 1087 C ALA A 65 3.534 3.854 -19.961 1.00 0.00 C ATOM 1088 O ALA A 65 2.822 3.157 -20.684 1.00 0.00 O ATOM 1089 CB ALA A 65 2.684 3.985 -17.612 1.00 0.00 C ATOM 0 H ALA A 65 1.056 4.692 -19.863 1.00 0.00 H new ATOM 0 HA ALA A 65 3.617 5.572 -18.703 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.625 3.554 -17.271 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.296 4.658 -16.848 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.964 3.187 -17.792 1.00 0.00 H new ATOM 1095 N GLN A 66 4.860 3.869 -20.047 1.00 0.00 N ATOM 1096 CA GLN A 66 5.571 3.049 -21.021 1.00 0.00 C ATOM 1097 C GLN A 66 6.557 2.114 -20.328 1.00 0.00 C ATOM 1098 O GLN A 66 7.320 2.534 -19.458 1.00 0.00 O ATOM 1099 CB GLN A 66 6.310 3.937 -22.024 1.00 0.00 C ATOM 1100 CG GLN A 66 5.402 4.907 -22.763 1.00 0.00 C ATOM 1101 CD GLN A 66 6.141 6.131 -23.264 1.00 0.00 C ATOM 1102 OE1 GLN A 66 6.821 6.084 -24.290 1.00 0.00 O ATOM 1103 NE2 GLN A 66 6.012 7.238 -22.542 1.00 0.00 N ATOM 0 H GLN A 66 5.463 4.439 -19.455 1.00 0.00 H new ATOM 0 HA GLN A 66 4.838 2.444 -21.554 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.080 4.502 -21.498 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.819 3.304 -22.751 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.940 4.395 -23.607 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.595 5.220 -22.100 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.439 7.233 -21.698 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.486 8.094 -22.831 1.00 0.00 H new ATOM 1112 N TYR A 67 6.537 0.845 -20.720 1.00 0.00 N ATOM 1113 CA TYR A 67 7.427 -0.150 -20.135 1.00 0.00 C ATOM 1114 C TYR A 67 8.768 -0.175 -20.861 1.00 0.00 C ATOM 1115 O TYR A 67 8.823 -0.298 -22.085 1.00 0.00 O ATOM 1116 CB TYR A 67 6.781 -1.536 -20.187 1.00 0.00 C ATOM 1117 CG TYR A 67 7.758 -2.668 -19.962 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.701 -2.606 -18.944 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.738 -3.799 -20.769 1.00 0.00 C ATOM 1120 CE1 TYR A 67 9.596 -3.637 -18.736 1.00 0.00 C ATOM 1121 CE2 TYR A 67 8.628 -4.836 -20.567 1.00 0.00 C ATOM 1122 CZ TYR A 67 9.555 -4.750 -19.549 1.00 0.00 C ATOM 1123 OH TYR A 67 10.444 -5.781 -19.345 1.00 0.00 O ATOM 0 H TYR A 67 5.914 0.481 -21.441 1.00 0.00 H new ATOM 0 HA TYR A 67 7.602 0.124 -19.095 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.995 -1.590 -19.433 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.302 -1.668 -21.157 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.735 -1.737 -18.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.014 -3.868 -21.568 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.324 -3.572 -17.941 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.598 -5.709 -21.202 1.00 0.00 H new ATOM 0 HH TYR A 67 10.280 -6.489 -20.003 1.00 0.00 H new ATOM 1133 N ASP A 68 9.849 -0.058 -20.097 1.00 0.00 N ATOM 1134 CA ASP A 68 11.192 -0.068 -20.666 1.00 0.00 C ATOM 1135 C ASP A 68 11.897 -1.388 -20.370 1.00 0.00 C ATOM 1136 O ASP A 68 12.023 -1.790 -19.213 1.00 0.00 O ATOM 1137 CB ASP A 68 12.012 1.098 -20.112 1.00 0.00 C ATOM 1138 CG ASP A 68 11.982 2.311 -21.021 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.139 2.340 -21.942 1.00 0.00 O ATOM 1140 OD2 ASP A 68 12.801 3.230 -20.812 1.00 0.00 O ATOM 0 H ASP A 68 9.821 0.045 -19.083 1.00 0.00 H new ATOM 0 HA ASP A 68 11.103 0.042 -21.747 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.628 1.374 -19.130 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.045 0.778 -19.972 1.00 0.00 H new ATOM 1145 N SER A 69 12.354 -2.058 -21.423 1.00 0.00 N ATOM 1146 CA SER A 69 13.042 -3.336 -21.277 1.00 0.00 C ATOM 1147 C SER A 69 14.536 -3.125 -21.051 1.00 0.00 C ATOM 1148 O SER A 69 15.182 -3.889 -20.334 1.00 0.00 O ATOM 1149 CB SER A 69 12.819 -4.204 -22.516 1.00 0.00 C ATOM 1150 OG SER A 69 13.748 -3.883 -23.537 1.00 0.00 O ATOM 0 H SER A 69 12.260 -1.737 -22.387 1.00 0.00 H new ATOM 0 HA SER A 69 12.629 -3.846 -20.407 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.916 -5.256 -22.249 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.804 -4.062 -22.886 1.00 0.00 H new ATOM 0 HG SER A 69 13.586 -4.453 -24.318 1.00 0.00 H new ATOM 1156 N LYS A 70 15.080 -2.082 -21.669 1.00 0.00 N ATOM 1157 CA LYS A 70 16.497 -1.768 -21.537 1.00 0.00 C ATOM 1158 C LYS A 70 16.906 -1.705 -20.069 1.00 0.00 C ATOM 1159 O LYS A 70 18.046 -2.011 -19.718 1.00 0.00 O ATOM 1160 CB LYS A 70 16.812 -0.436 -22.222 1.00 0.00 C ATOM 1161 CG LYS A 70 15.974 0.723 -21.710 1.00 0.00 C ATOM 1162 CD LYS A 70 16.694 1.489 -20.613 1.00 0.00 C ATOM 1163 CE LYS A 70 15.722 2.300 -19.769 1.00 0.00 C ATOM 1164 NZ LYS A 70 16.426 3.114 -18.740 1.00 0.00 N ATOM 0 H LYS A 70 14.560 -1.440 -22.267 1.00 0.00 H new ATOM 0 HA LYS A 70 17.065 -2.562 -22.021 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.867 -0.203 -22.077 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.653 -0.542 -23.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.742 1.398 -22.534 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.025 0.347 -21.329 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.236 0.790 -19.975 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.434 2.154 -21.058 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.140 2.957 -20.416 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.017 1.628 -19.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.943 3.011 -17.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.409 2.786 -18.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.419 4.114 -19.024 1.00 0.00 H new ATOM 1178 N ASP A 71 15.969 -1.309 -19.215 1.00 0.00 N ATOM 1179 CA ASP A 71 16.231 -1.209 -17.784 1.00 0.00 C ATOM 1180 C ASP A 71 15.158 -1.940 -16.983 1.00 0.00 C ATOM 1181 O ASP A 71 15.153 -1.899 -15.753 1.00 0.00 O ATOM 1182 CB ASP A 71 16.293 0.258 -17.356 1.00 0.00 C ATOM 1183 CG ASP A 71 16.715 0.422 -15.909 1.00 0.00 C ATOM 1184 OD1 ASP A 71 17.859 0.048 -15.578 1.00 0.00 O ATOM 1185 OD2 ASP A 71 15.900 0.926 -15.108 1.00 0.00 O ATOM 0 H ASP A 71 15.021 -1.052 -19.489 1.00 0.00 H new ATOM 0 HA ASP A 71 17.194 -1.679 -17.582 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.994 0.791 -17.998 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.315 0.717 -17.500 1.00 0.00 H new ATOM 1190 N GLU A 72 14.250 -2.606 -17.689 1.00 0.00 N ATOM 1191 CA GLU A 72 13.171 -3.344 -17.042 1.00 0.00 C ATOM 1192 C GLU A 72 12.429 -2.460 -16.044 1.00 0.00 C ATOM 1193 O GLU A 72 11.911 -2.943 -15.037 1.00 0.00 O ATOM 1194 CB GLU A 72 13.724 -4.581 -16.331 1.00 0.00 C ATOM 1195 CG GLU A 72 14.478 -5.526 -17.252 1.00 0.00 C ATOM 1196 CD GLU A 72 15.498 -6.371 -16.513 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.498 -6.344 -15.264 1.00 0.00 O ATOM 1198 OE2 GLU A 72 16.296 -7.058 -17.184 1.00 0.00 O ATOM 0 H GLU A 72 14.240 -2.650 -18.708 1.00 0.00 H new ATOM 0 HA GLU A 72 12.469 -3.660 -17.813 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.389 -4.262 -15.529 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.900 -5.121 -15.866 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.767 -6.180 -17.756 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.983 -4.947 -18.026 1.00 0.00 H new ATOM 1205 N CYS A 73 12.382 -1.164 -16.332 1.00 0.00 N ATOM 1206 CA CYS A 73 11.705 -0.211 -15.460 1.00 0.00 C ATOM 1207 C CYS A 73 10.453 0.345 -16.131 1.00 0.00 C ATOM 1208 O CYS A 73 10.343 0.346 -17.358 1.00 0.00 O ATOM 1209 CB CYS A 73 12.650 0.932 -15.087 1.00 0.00 C ATOM 1210 SG CYS A 73 13.033 2.049 -16.457 1.00 0.00 S ATOM 0 H CYS A 73 12.805 -0.749 -17.162 1.00 0.00 H new ATOM 0 HA CYS A 73 11.406 -0.735 -14.552 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.204 1.508 -14.276 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.580 0.511 -14.705 1.00 0.00 H new ATOM 0 HG CYS A 73 13.837 2.983 -16.043 1.00 0.00 H new ATOM 1216 N ILE A 74 9.513 0.817 -15.319 1.00 0.00 N ATOM 1217 CA ILE A 74 8.269 1.375 -15.835 1.00 0.00 C ATOM 1218 C ILE A 74 8.255 2.895 -15.709 1.00 0.00 C ATOM 1219 O ILE A 74 8.594 3.444 -14.662 1.00 0.00 O ATOM 1220 CB ILE A 74 7.045 0.799 -15.098 1.00 0.00 C ATOM 1221 CG1 ILE A 74 7.009 -0.724 -15.238 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.764 1.416 -15.637 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.671 -1.195 -16.635 1.00 0.00 C ATOM 0 H ILE A 74 9.589 0.824 -14.302 1.00 0.00 H new ATOM 0 HA ILE A 74 8.212 1.099 -16.888 1.00 0.00 H new ATOM 0 HB ILE A 74 7.127 1.046 -14.040 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.979 -1.130 -14.951 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.276 -1.128 -14.540 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.908 0.999 -15.106 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.791 2.496 -15.491 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.674 1.196 -16.701 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.663 -2.285 -16.660 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.688 -0.819 -16.918 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.418 -0.821 -17.336 1.00 0.00 H new ATOM 1235 N ASN A 75 7.859 3.568 -16.784 1.00 0.00 N ATOM 1236 CA ASN A 75 7.800 5.026 -16.794 1.00 0.00 C ATOM 1237 C ASN A 75 6.353 5.511 -16.801 1.00 0.00 C ATOM 1238 O ASN A 75 5.579 5.176 -17.698 1.00 0.00 O ATOM 1239 CB ASN A 75 8.541 5.579 -18.013 1.00 0.00 C ATOM 1240 CG ASN A 75 9.889 4.917 -18.220 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.922 5.446 -17.810 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.885 3.753 -18.859 1.00 0.00 N ATOM 0 H ASN A 75 7.574 3.128 -17.659 1.00 0.00 H new ATOM 0 HA ASN A 75 8.283 5.391 -15.888 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.928 5.435 -18.903 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.682 6.653 -17.893 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.762 3.261 -19.027 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.005 3.351 -19.181 1.00 0.00 H new ATOM 1249 N VAL A 76 5.996 6.302 -15.794 1.00 0.00 N ATOM 1250 CA VAL A 76 4.643 6.835 -15.684 1.00 0.00 C ATOM 1251 C VAL A 76 4.646 8.358 -15.746 1.00 0.00 C ATOM 1252 O VAL A 76 5.398 9.019 -15.028 1.00 0.00 O ATOM 1253 CB VAL A 76 3.968 6.386 -14.375 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.483 6.717 -14.399 1.00 0.00 C ATOM 1255 CG2 VAL A 76 4.187 4.899 -14.145 1.00 0.00 C ATOM 0 H VAL A 76 6.624 6.588 -15.043 1.00 0.00 H new ATOM 0 HA VAL A 76 4.078 6.441 -16.529 1.00 0.00 H new ATOM 0 HB VAL A 76 4.424 6.929 -13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.023 6.392 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.352 7.793 -14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.009 6.203 -15.235 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.703 4.599 -13.215 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.760 4.336 -14.975 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.256 4.694 -14.080 1.00 0.00 H new ATOM 1265 N LYS A 77 3.800 8.912 -16.608 1.00 0.00 N ATOM 1266 CA LYS A 77 3.702 10.359 -16.763 1.00 0.00 C ATOM 1267 C LYS A 77 2.368 10.874 -16.232 1.00 0.00 C ATOM 1268 O LYS A 77 1.325 10.256 -16.443 1.00 0.00 O ATOM 1269 CB LYS A 77 3.862 10.746 -18.235 1.00 0.00 C ATOM 1270 CG LYS A 77 2.579 10.622 -19.039 1.00 0.00 C ATOM 1271 CD LYS A 77 1.816 11.935 -19.078 1.00 0.00 C ATOM 1272 CE LYS A 77 2.234 12.788 -20.266 1.00 0.00 C ATOM 1273 NZ LYS A 77 1.801 14.204 -20.112 1.00 0.00 N ATOM 0 H LYS A 77 3.172 8.380 -17.211 1.00 0.00 H new ATOM 0 HA LYS A 77 4.504 10.817 -16.184 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.221 11.774 -18.295 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.627 10.114 -18.687 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.815 10.307 -20.055 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.949 9.847 -18.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.746 11.734 -19.132 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.991 12.486 -18.154 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.318 12.750 -20.377 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.805 12.374 -21.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.595 14.608 -21.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.945 14.243 -19.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.560 14.752 -19.658 1.00 0.00 H new ATOM 1287 N VAL A 78 2.409 12.010 -15.544 1.00 0.00 N ATOM 1288 CA VAL A 78 1.203 12.610 -14.986 1.00 0.00 C ATOM 1289 C VAL A 78 1.205 14.123 -15.172 1.00 0.00 C ATOM 1290 O VAL A 78 2.151 14.806 -14.779 1.00 0.00 O ATOM 1291 CB VAL A 78 1.059 12.289 -13.486 1.00 0.00 C ATOM 1292 CG1 VAL A 78 -0.258 12.828 -12.949 1.00 0.00 C ATOM 1293 CG2 VAL A 78 1.166 10.789 -13.250 1.00 0.00 C ATOM 0 H VAL A 78 3.265 12.534 -15.359 1.00 0.00 H new ATOM 0 HA VAL A 78 0.358 12.182 -15.525 1.00 0.00 H new ATOM 0 HB VAL A 78 1.871 12.778 -12.948 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.342 12.592 -11.888 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.291 13.909 -13.084 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.086 12.370 -13.490 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.062 10.580 -12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.376 10.277 -13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.137 10.435 -13.596 1.00 0.00 H new ATOM 1303 N ALA A 79 0.139 14.641 -15.773 1.00 0.00 N ATOM 1304 CA ALA A 79 0.017 16.074 -16.009 1.00 0.00 C ATOM 1305 C ALA A 79 -0.361 16.811 -14.729 1.00 0.00 C ATOM 1306 O ALA A 79 -1.253 16.386 -13.995 1.00 0.00 O ATOM 1307 CB ALA A 79 -1.011 16.344 -17.098 1.00 0.00 C ATOM 0 H ALA A 79 -0.652 14.090 -16.105 1.00 0.00 H new ATOM 0 HA ALA A 79 0.987 16.446 -16.339 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.092 17.418 -17.264 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.699 15.857 -18.022 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.980 15.951 -16.790 1.00 0.00 H new ATOM 1313 N LYS A 80 0.325 17.918 -14.465 1.00 0.00 N ATOM 1314 CA LYS A 80 0.062 18.716 -13.273 1.00 0.00 C ATOM 1315 C LYS A 80 -0.944 19.823 -13.570 1.00 0.00 C ATOM 1316 O LYS A 80 -1.246 20.107 -14.731 1.00 0.00 O ATOM 1317 CB LYS A 80 1.363 19.324 -12.744 1.00 0.00 C ATOM 1318 CG LYS A 80 2.571 18.419 -12.915 1.00 0.00 C ATOM 1319 CD LYS A 80 3.777 18.950 -12.159 1.00 0.00 C ATOM 1320 CE LYS A 80 4.658 19.813 -13.050 1.00 0.00 C ATOM 1321 NZ LYS A 80 3.906 20.962 -13.627 1.00 0.00 N ATOM 0 H LYS A 80 1.068 18.283 -15.061 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.361 18.059 -12.513 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.550 20.266 -13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.241 19.558 -11.686 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.330 17.417 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.814 18.331 -13.974 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.442 19.534 -11.302 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.359 18.115 -11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.504 20.186 -12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.066 19.204 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.577 21.666 -13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.297 20.625 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.318 21.398 -12.888 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.460 20.446 -12.517 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.432 21.524 -12.665 1.00 0.00 C ATOM 1337 C LEU A 81 -1.747 22.821 -13.082 1.00 0.00 C ATOM 1338 O LEU A 81 -2.317 23.627 -13.816 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.193 21.734 -11.355 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.095 20.582 -10.910 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.866 20.961 -9.655 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.052 20.192 -12.028 1.00 0.00 C ATOM 0 H LEU A 81 -1.222 20.223 -11.551 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.137 21.240 -13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.468 21.928 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.805 22.631 -11.453 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.466 19.722 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.502 20.129 -9.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.165 21.191 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.484 21.835 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.686 19.371 -11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.674 21.048 -12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.482 19.878 -12.902 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.519 23.014 -12.611 1.00 0.00 N ATOM 1355 CA ASN A 82 0.245 24.213 -12.937 1.00 0.00 C ATOM 1356 C ASN A 82 1.634 23.850 -13.451 1.00 0.00 C ATOM 1357 O ASN A 82 2.379 23.119 -12.797 1.00 0.00 O ATOM 1358 CB ASN A 82 0.363 25.117 -11.708 1.00 0.00 C ATOM 1359 CG ASN A 82 -0.885 25.089 -10.847 1.00 0.00 C ATOM 1360 OD1 ASN A 82 -1.758 25.948 -10.973 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -0.974 24.100 -9.966 1.00 0.00 N ATOM 0 H ASN A 82 -0.032 22.356 -12.003 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.285 24.749 -13.724 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.220 24.804 -11.111 1.00 0.00 H new ATOM 0 HB3 ASN A 82 0.556 26.140 -12.030 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.790 24.030 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.226 23.410 -9.896 1.00 0.00 H new ATOM 1368 N LYS A 83 1.978 24.366 -14.626 1.00 0.00 N ATOM 1369 CA LYS A 83 3.279 24.099 -15.228 1.00 0.00 C ATOM 1370 C LYS A 83 4.402 24.695 -14.385 1.00 0.00 C ATOM 1371 O LYS A 83 4.161 25.533 -13.518 1.00 0.00 O ATOM 1372 CB LYS A 83 3.334 24.670 -16.647 1.00 0.00 C ATOM 1373 CG LYS A 83 4.388 24.018 -17.525 1.00 0.00 C ATOM 1374 CD LYS A 83 4.007 24.082 -18.994 1.00 0.00 C ATOM 1375 CE LYS A 83 4.740 23.026 -19.807 1.00 0.00 C ATOM 1376 NZ LYS A 83 4.956 23.460 -21.215 1.00 0.00 N ATOM 0 H LYS A 83 1.373 24.972 -15.181 1.00 0.00 H new ATOM 0 HA LYS A 83 3.416 23.019 -15.272 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.357 24.550 -17.116 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.531 25.741 -16.591 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.346 24.515 -17.375 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.518 22.978 -17.227 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.931 23.941 -19.098 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.238 25.072 -19.388 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.702 22.812 -19.341 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.168 22.098 -19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.458 22.713 -21.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.037 23.639 -21.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.524 24.331 -21.226 1.00 0.00 H new ATOM 1390 N ASN A 84 5.629 24.257 -14.648 1.00 0.00 N ATOM 1391 CA ASN A 84 6.789 24.749 -13.914 1.00 0.00 C ATOM 1392 C ASN A 84 6.651 24.461 -12.422 1.00 0.00 C ATOM 1393 O ASN A 84 7.301 25.099 -11.594 1.00 0.00 O ATOM 1394 CB ASN A 84 6.963 26.252 -14.141 1.00 0.00 C ATOM 1395 CG ASN A 84 7.865 26.558 -15.321 1.00 0.00 C ATOM 1396 OD1 ASN A 84 8.731 27.430 -15.245 1.00 0.00 O ATOM 1397 ND2 ASN A 84 7.666 25.839 -16.420 1.00 0.00 N ATOM 0 H ASN A 84 5.845 23.563 -15.363 1.00 0.00 H new ATOM 0 HA ASN A 84 7.671 24.228 -14.286 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.986 26.707 -14.306 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.379 26.707 -13.242 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.243 25.999 -17.246 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.936 25.126 -16.438 1.00 0.00 H new ATOM 1404 N GLU A 85 5.800 23.496 -12.087 1.00 0.00 N ATOM 1405 CA GLU A 85 5.576 23.125 -10.695 1.00 0.00 C ATOM 1406 C GLU A 85 6.602 22.093 -10.235 1.00 0.00 C ATOM 1407 O GLU A 85 7.022 21.233 -11.009 1.00 0.00 O ATOM 1408 CB GLU A 85 4.162 22.570 -10.513 1.00 0.00 C ATOM 1409 CG GLU A 85 3.868 22.107 -9.096 1.00 0.00 C ATOM 1410 CD GLU A 85 2.565 21.338 -8.992 1.00 0.00 C ATOM 1411 OE1 GLU A 85 2.071 20.863 -10.036 1.00 0.00 O ATOM 1412 OE2 GLU A 85 2.040 21.211 -7.866 1.00 0.00 O ATOM 0 H GLU A 85 5.255 22.958 -12.760 1.00 0.00 H new ATOM 0 HA GLU A 85 5.688 24.021 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.441 23.338 -10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.018 21.733 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.686 21.477 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.828 22.973 -8.436 1.00 0.00 H new ATOM 1419 N TYR A 86 7.001 22.187 -8.972 1.00 0.00 N ATOM 1420 CA TYR A 86 7.980 21.264 -8.409 1.00 0.00 C ATOM 1421 C TYR A 86 7.412 20.543 -7.191 1.00 0.00 C ATOM 1422 O TYR A 86 6.312 20.850 -6.731 1.00 0.00 O ATOM 1423 CB TYR A 86 9.256 22.014 -8.023 1.00 0.00 C ATOM 1424 CG TYR A 86 9.254 22.518 -6.597 1.00 0.00 C ATOM 1425 CD1 TYR A 86 8.569 23.676 -6.251 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.938 21.838 -5.598 1.00 0.00 C ATOM 1427 CE1 TYR A 86 8.564 24.141 -4.950 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.938 22.294 -4.294 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.250 23.447 -3.975 1.00 0.00 C ATOM 1430 OH TYR A 86 9.249 23.905 -2.678 1.00 0.00 O ATOM 0 H TYR A 86 6.662 22.893 -8.318 1.00 0.00 H new ATOM 0 HA TYR A 86 8.219 20.520 -9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.112 21.355 -8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.389 22.859 -8.698 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.031 24.222 -7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.480 20.937 -5.845 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.026 25.043 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.473 21.751 -3.529 1.00 0.00 H new ATOM 0 HH TYR A 86 9.778 23.300 -2.117 1.00 0.00 H new ATOM 1440 N PHE A 87 8.171 19.584 -6.672 1.00 0.00 N ATOM 1441 CA PHE A 87 7.744 18.818 -5.506 1.00 0.00 C ATOM 1442 C PHE A 87 8.892 18.652 -4.515 1.00 0.00 C ATOM 1443 O PHE A 87 10.043 18.956 -4.826 1.00 0.00 O ATOM 1444 CB PHE A 87 7.223 17.445 -5.935 1.00 0.00 C ATOM 1445 CG PHE A 87 6.011 17.513 -6.819 1.00 0.00 C ATOM 1446 CD1 PHE A 87 6.124 17.900 -8.144 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.757 17.190 -6.324 1.00 0.00 C ATOM 1448 CE1 PHE A 87 5.010 17.964 -8.960 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.640 17.251 -7.135 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.767 17.640 -8.455 1.00 0.00 C ATOM 0 H PHE A 87 9.085 19.318 -7.040 1.00 0.00 H new ATOM 0 HA PHE A 87 6.940 19.367 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.016 16.912 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.982 16.863 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.094 18.155 -8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.652 16.887 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.112 18.267 -9.992 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.669 16.995 -6.738 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.895 17.690 -9.090 1.00 0.00 H new ATOM 1460 N GLU A 88 8.569 18.168 -3.320 1.00 0.00 N ATOM 1461 CA GLU A 88 9.572 17.963 -2.282 1.00 0.00 C ATOM 1462 C GLU A 88 9.446 16.571 -1.670 1.00 0.00 C ATOM 1463 O GLU A 88 10.445 15.895 -1.425 1.00 0.00 O ATOM 1464 CB GLU A 88 9.435 19.027 -1.191 1.00 0.00 C ATOM 1465 CG GLU A 88 10.732 19.315 -0.455 1.00 0.00 C ATOM 1466 CD GLU A 88 11.058 18.264 0.588 1.00 0.00 C ATOM 1467 OE1 GLU A 88 10.207 18.020 1.470 1.00 0.00 O ATOM 1468 OE2 GLU A 88 12.162 17.684 0.523 1.00 0.00 O ATOM 0 H GLU A 88 7.621 17.911 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 88 10.556 18.050 -2.742 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.069 19.950 -1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.683 18.703 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.549 19.372 -1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.663 20.290 0.027 1.00 0.00 H new ATOM 1475 N ASP A 89 8.210 16.150 -1.425 1.00 0.00 N ATOM 1476 CA ASP A 89 7.951 14.838 -0.841 1.00 0.00 C ATOM 1477 C ASP A 89 8.440 13.727 -1.764 1.00 0.00 C ATOM 1478 O ASP A 89 8.678 12.601 -1.325 1.00 0.00 O ATOM 1479 CB ASP A 89 6.457 14.666 -0.563 1.00 0.00 C ATOM 1480 CG ASP A 89 5.928 15.697 0.415 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.707 16.584 0.823 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.734 15.617 0.773 1.00 0.00 O ATOM 0 H ASP A 89 7.372 16.697 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 89 8.498 14.772 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.905 14.741 -1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.277 13.667 -0.166 1.00 0.00 H new ATOM 1487 N LEU A 90 8.587 14.050 -3.044 1.00 0.00 N ATOM 1488 CA LEU A 90 9.047 13.078 -4.031 1.00 0.00 C ATOM 1489 C LEU A 90 10.466 12.614 -3.717 1.00 0.00 C ATOM 1490 O LEU A 90 10.931 11.604 -4.247 1.00 0.00 O ATOM 1491 CB LEU A 90 8.995 13.683 -5.434 1.00 0.00 C ATOM 1492 CG LEU A 90 7.605 14.049 -5.956 1.00 0.00 C ATOM 1493 CD1 LEU A 90 7.657 14.356 -7.445 1.00 0.00 C ATOM 1494 CD2 LEU A 90 6.617 12.927 -5.675 1.00 0.00 C ATOM 0 H LEU A 90 8.395 14.977 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 90 8.384 12.214 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.613 14.581 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.448 12.977 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 90 7.266 14.944 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.659 14.614 -7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.332 15.194 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.018 13.480 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.633 13.205 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.952 12.015 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.557 12.756 -4.600 1.00 0.00 H new ATOM 1506 N ASP A 91 11.148 13.356 -2.852 1.00 0.00 N ATOM 1507 CA ASP A 91 12.513 13.019 -2.465 1.00 0.00 C ATOM 1508 C ASP A 91 12.521 12.100 -1.247 1.00 0.00 C ATOM 1509 O ASP A 91 13.568 11.862 -0.643 1.00 0.00 O ATOM 1510 CB ASP A 91 13.309 14.290 -2.165 1.00 0.00 C ATOM 1511 CG ASP A 91 13.812 14.968 -3.424 1.00 0.00 C ATOM 1512 OD1 ASP A 91 13.979 14.272 -4.447 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.040 16.196 -3.386 1.00 0.00 O ATOM 0 H ASP A 91 10.778 14.195 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 91 12.982 12.494 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.681 14.985 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.156 14.042 -1.526 1.00 0.00 H new ATOM 1518 N LEU A 92 11.348 11.587 -0.892 1.00 0.00 N ATOM 1519 CA LEU A 92 11.220 10.694 0.255 1.00 0.00 C ATOM 1520 C LEU A 92 10.236 9.566 -0.041 1.00 0.00 C ATOM 1521 O LEU A 92 9.020 9.753 -0.038 1.00 0.00 O ATOM 1522 CB LEU A 92 10.761 11.476 1.486 1.00 0.00 C ATOM 1523 CG LEU A 92 11.258 12.919 1.589 1.00 0.00 C ATOM 1524 CD1 LEU A 92 10.375 13.722 2.531 1.00 0.00 C ATOM 1525 CD2 LEU A 92 12.706 12.952 2.054 1.00 0.00 C ATOM 0 H LEU A 92 10.473 11.774 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 92 12.198 10.256 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.671 11.487 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 92 11.085 10.937 2.376 1.00 0.00 H new ATOM 0 HG LEU A 92 11.205 13.373 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.744 14.746 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.352 13.727 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.395 13.270 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.043 13.986 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.784 12.480 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.330 12.413 1.341 1.00 0.00 H new ATOM 1537 N PRO A 93 10.774 8.365 -0.301 1.00 0.00 N ATOM 1538 CA PRO A 93 9.961 7.182 -0.601 1.00 0.00 C ATOM 1539 C PRO A 93 9.192 6.683 0.618 1.00 0.00 C ATOM 1540 O PRO A 93 8.372 5.770 0.517 1.00 0.00 O ATOM 1541 CB PRO A 93 10.996 6.144 -1.042 1.00 0.00 C ATOM 1542 CG PRO A 93 12.263 6.567 -0.383 1.00 0.00 C ATOM 1543 CD PRO A 93 12.216 8.069 -0.322 1.00 0.00 C ATOM 0 HA PRO A 93 9.199 7.390 -1.352 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.706 5.140 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.101 6.126 -2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.346 6.138 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.130 6.226 -0.949 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.717 8.451 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.707 8.522 -1.184 1.00 0.00 H new ATOM 1551 N THR A 94 9.461 7.289 1.770 1.00 0.00 N ATOM 1552 CA THR A 94 8.795 6.905 3.009 1.00 0.00 C ATOM 1553 C THR A 94 7.629 7.837 3.317 1.00 0.00 C ATOM 1554 O THR A 94 6.845 7.586 4.232 1.00 0.00 O ATOM 1555 CB THR A 94 9.773 6.914 4.199 1.00 0.00 C ATOM 1556 OG1 THR A 94 10.327 8.224 4.368 1.00 0.00 O ATOM 1557 CG2 THR A 94 10.894 5.908 3.985 1.00 0.00 C ATOM 0 H THR A 94 10.135 8.048 1.871 1.00 0.00 H new ATOM 0 HA THR A 94 8.419 5.892 2.865 1.00 0.00 H new ATOM 0 HB THR A 94 9.221 6.635 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.946 8.222 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.572 5.932 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.472 4.908 3.885 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.443 6.162 3.078 1.00 0.00 H new ATOM 1565 N LYS A 95 7.519 8.914 2.547 1.00 0.00 N ATOM 1566 CA LYS A 95 6.447 9.885 2.736 1.00 0.00 C ATOM 1567 C LYS A 95 5.283 9.599 1.793 1.00 0.00 C ATOM 1568 O LYS A 95 4.118 9.763 2.160 1.00 0.00 O ATOM 1569 CB LYS A 95 6.969 11.304 2.504 1.00 0.00 C ATOM 1570 CG LYS A 95 7.551 11.949 3.750 1.00 0.00 C ATOM 1571 CD LYS A 95 8.645 11.091 4.363 1.00 0.00 C ATOM 1572 CE LYS A 95 9.280 11.773 5.565 1.00 0.00 C ATOM 1573 NZ LYS A 95 10.099 10.825 6.372 1.00 0.00 N ATOM 0 H LYS A 95 8.160 9.137 1.785 1.00 0.00 H new ATOM 0 HA LYS A 95 6.090 9.800 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.733 11.279 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.155 11.925 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.955 12.930 3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.759 12.108 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.229 10.130 4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.410 10.885 3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.907 12.597 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.500 12.204 6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.610 10.619 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.234 9.942 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.026 11.252 6.574 1.00 0.00 H new ATOM 1587 N LEU A 96 5.604 9.171 0.577 1.00 0.00 N ATOM 1588 CA LEU A 96 4.584 8.861 -0.419 1.00 0.00 C ATOM 1589 C LEU A 96 3.790 7.622 -0.018 1.00 0.00 C ATOM 1590 O LEU A 96 2.561 7.606 -0.100 1.00 0.00 O ATOM 1591 CB LEU A 96 5.229 8.646 -1.789 1.00 0.00 C ATOM 1592 CG LEU A 96 6.277 9.678 -2.207 1.00 0.00 C ATOM 1593 CD1 LEU A 96 7.200 9.102 -3.269 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.605 10.947 -2.712 1.00 0.00 C ATOM 0 H LEU A 96 6.562 9.031 0.257 1.00 0.00 H new ATOM 0 HA LEU A 96 3.898 9.707 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.695 7.661 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.441 8.633 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 96 6.877 9.932 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.939 9.851 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.708 8.223 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.615 8.818 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.366 11.670 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.980 10.710 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.987 11.371 -1.921 1.00 0.00 H new ATOM 1606 N LEU A 97 4.499 6.587 0.417 1.00 0.00 N ATOM 1607 CA LEU A 97 3.861 5.343 0.833 1.00 0.00 C ATOM 1608 C LEU A 97 2.827 5.600 1.925 1.00 0.00 C ATOM 1609 O LEU A 97 1.872 4.840 2.080 1.00 0.00 O ATOM 1610 CB LEU A 97 4.912 4.350 1.334 1.00 0.00 C ATOM 1611 CG LEU A 97 5.939 3.883 0.302 1.00 0.00 C ATOM 1612 CD1 LEU A 97 7.001 3.016 0.961 1.00 0.00 C ATOM 1613 CD2 LEU A 97 5.255 3.127 -0.827 1.00 0.00 C ATOM 0 H LEU A 97 5.516 6.584 0.491 1.00 0.00 H new ATOM 0 HA LEU A 97 3.352 4.918 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.446 4.806 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.397 3.473 1.727 1.00 0.00 H new ATOM 0 HG LEU A 97 6.427 4.761 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.723 2.693 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.512 3.591 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.530 2.142 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.001 2.802 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.740 2.256 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.533 3.780 -1.317 1.00 0.00 H new