USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 387 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 Single : A 746 SER OG : rot 180:sc= 0 USER MOD Single : A 752 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.5!) USER MOD Single : A 753 ASN : amide:sc=-8.54e-05 X(o=-8.5e-05,f=-0.21) USER MOD Single : A 756 LYS NZ :NH3+ 162:sc= -0.0278 (180deg=-0.229) USER MOD Single : A 757 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 50:sc= -1.28 USER MOD Single : A 772 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.3) USER MOD Single : A 777 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot 180:sc= 0 USER MOD Single : A 784 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 792 SER OG : rot 180:sc= 0 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= -0.0268 USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.641 -3.790 1.850 1.00 0.00 N ATOM 60 CA GLY A 744 -19.344 -3.735 1.202 1.00 0.00 C ATOM 61 C GLY A 744 -18.327 -4.645 1.862 1.00 0.00 C ATOM 62 O GLY A 744 -18.532 -5.106 2.986 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.452 -4.016 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -18.975 -2.709 1.220 1.00 0.00 H new ATOM 66 N CYS A 745 -17.228 -4.906 1.163 1.00 0.00 N ATOM 67 CA CYS A 745 -16.175 -5.769 1.687 1.00 0.00 C ATOM 68 C CYS A 745 -15.943 -5.504 3.172 1.00 0.00 C ATOM 69 O CYS A 745 -16.192 -4.403 3.663 1.00 0.00 O ATOM 70 CB CYS A 745 -14.875 -5.551 0.910 1.00 0.00 C ATOM 71 SG CYS A 745 -14.688 -6.633 -0.543 1.00 0.00 S ATOM 0 H CYS A 745 -17.043 -4.533 0.232 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.494 -6.804 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.829 -4.512 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.031 -5.713 1.581 1.00 0.00 H new ATOM 76 N SER A 746 -15.466 -6.522 3.881 1.00 0.00 N ATOM 77 CA SER A 746 -15.204 -6.401 5.311 1.00 0.00 C ATOM 78 C SER A 746 -13.875 -5.694 5.561 1.00 0.00 C ATOM 79 O SER A 746 -12.894 -5.924 4.854 1.00 0.00 O ATOM 80 CB SER A 746 -15.191 -7.783 5.967 1.00 0.00 C ATOM 81 OG SER A 746 -16.504 -8.304 6.084 1.00 0.00 O ATOM 0 H SER A 746 -15.253 -7.439 3.489 1.00 0.00 H new ATOM 0 HA SER A 746 -16.002 -5.805 5.753 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.578 -8.464 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.733 -7.716 6.954 1.00 0.00 H new ATOM 0 HG SER A 746 -16.469 -9.188 6.505 1.00 0.00 H new ATOM 87 N ASP A 747 -13.852 -4.834 6.573 1.00 0.00 N ATOM 88 CA ASP A 747 -12.644 -4.093 6.919 1.00 0.00 C ATOM 89 C ASP A 747 -11.422 -5.005 6.896 1.00 0.00 C ATOM 90 O ASP A 747 -11.489 -6.162 7.314 1.00 0.00 O ATOM 91 CB ASP A 747 -12.792 -3.453 8.301 1.00 0.00 C ATOM 92 CG ASP A 747 -12.930 -4.482 9.404 1.00 0.00 C ATOM 93 OD1 ASP A 747 -13.898 -5.271 9.362 1.00 0.00 O ATOM 94 OD2 ASP A 747 -12.072 -4.500 10.312 1.00 0.00 O ATOM 0 H ASP A 747 -14.656 -4.633 7.168 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.503 -3.308 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.925 -2.824 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.666 -2.802 8.305 1.00 0.00 H new ATOM 99 N LEU A 748 -10.306 -4.478 6.403 1.00 0.00 N ATOM 100 CA LEU A 748 -9.068 -5.245 6.324 1.00 0.00 C ATOM 101 C LEU A 748 -8.208 -5.021 7.564 1.00 0.00 C ATOM 102 O LEU A 748 -8.218 -3.950 8.171 1.00 0.00 O ATOM 103 CB LEU A 748 -8.284 -4.857 5.069 1.00 0.00 C ATOM 104 CG LEU A 748 -8.934 -5.219 3.733 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.307 -4.421 2.601 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.811 -6.712 3.467 1.00 0.00 C ATOM 0 H LEU A 748 -10.233 -3.523 6.052 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.328 -6.302 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -8.116 -3.780 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.305 -5.334 5.115 1.00 0.00 H new ATOM 0 HG LEU A 748 -9.993 -4.966 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.782 -4.692 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.448 -3.356 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.241 -4.642 2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.279 -6.951 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.758 -6.990 3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.308 -7.266 4.264 1.00 0.00 H new ATOM 118 N PRO A 749 -7.444 -6.054 7.949 1.00 0.00 N ATOM 119 CA PRO A 749 -6.562 -5.994 9.118 1.00 0.00 C ATOM 120 C PRO A 749 -5.370 -5.068 8.898 1.00 0.00 C ATOM 121 O PRO A 749 -5.283 -4.387 7.877 1.00 0.00 O ATOM 122 CB PRO A 749 -6.092 -7.441 9.283 1.00 0.00 C ATOM 123 CG PRO A 749 -6.204 -8.033 7.921 1.00 0.00 C ATOM 124 CD PRO A 749 -7.383 -7.361 7.273 1.00 0.00 C ATOM 0 HA PRO A 749 -7.073 -5.595 9.994 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.067 -7.485 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.711 -7.979 10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.294 -7.864 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.351 -9.112 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.242 -7.251 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.300 -7.932 7.418 1.00 0.00 H new ATOM 132 N GLU A 750 -4.455 -5.049 9.862 1.00 0.00 N ATOM 133 CA GLU A 750 -3.269 -4.206 9.772 1.00 0.00 C ATOM 134 C GLU A 750 -2.086 -4.990 9.210 1.00 0.00 C ATOM 135 O GLU A 750 -1.919 -6.175 9.500 1.00 0.00 O ATOM 136 CB GLU A 750 -2.912 -3.640 11.148 1.00 0.00 C ATOM 137 CG GLU A 750 -2.553 -4.706 12.170 1.00 0.00 C ATOM 138 CD GLU A 750 -2.411 -4.146 13.572 1.00 0.00 C ATOM 139 OE1 GLU A 750 -3.123 -3.172 13.895 1.00 0.00 O ATOM 140 OE2 GLU A 750 -1.589 -4.680 14.344 1.00 0.00 O ATOM 0 H GLU A 750 -4.512 -5.607 10.714 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.492 -3.381 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.073 -2.953 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -3.755 -3.059 11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -3.321 -5.479 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -1.618 -5.184 11.877 1.00 0.00 H new ATOM 147 N ILE A 751 -1.269 -4.319 8.404 1.00 0.00 N ATOM 148 CA ILE A 751 -0.103 -4.952 7.801 1.00 0.00 C ATOM 149 C ILE A 751 1.172 -4.584 8.554 1.00 0.00 C ATOM 150 O ILE A 751 1.314 -3.463 9.041 1.00 0.00 O ATOM 151 CB ILE A 751 0.054 -4.551 6.323 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.404 -5.029 5.783 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.082 -3.045 6.165 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.397 -5.304 4.295 1.00 0.00 C ATOM 0 H ILE A 751 -1.393 -3.338 8.154 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.261 -6.029 7.862 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.737 -5.030 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 751 2.161 -4.276 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.696 -5.937 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 751 0.031 -2.778 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.065 -2.730 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.690 -2.546 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.386 -5.639 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.664 -6.079 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 751 1.136 -4.392 3.758 1.00 0.00 H new ATOM 166 N GLN A 752 2.096 -5.536 8.643 1.00 0.00 N ATOM 167 CA GLN A 752 3.359 -5.311 9.335 1.00 0.00 C ATOM 168 C GLN A 752 4.321 -4.509 8.465 1.00 0.00 C ATOM 169 O GLN A 752 4.516 -4.818 7.290 1.00 0.00 O ATOM 170 CB GLN A 752 3.996 -6.646 9.723 1.00 0.00 C ATOM 171 CG GLN A 752 3.257 -7.373 10.835 1.00 0.00 C ATOM 172 CD GLN A 752 2.168 -8.288 10.311 1.00 0.00 C ATOM 173 OE1 GLN A 752 2.161 -8.655 9.136 1.00 0.00 O ATOM 174 NE2 GLN A 752 1.238 -8.661 11.183 1.00 0.00 N ATOM 0 H GLN A 752 1.993 -6.469 8.245 1.00 0.00 H new ATOM 0 HA GLN A 752 3.152 -4.738 10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 752 4.036 -7.289 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 752 5.025 -6.470 10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.969 -7.958 11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 752 2.817 -6.641 11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 752 1.283 -8.333 12.148 1.00 0.00 H new ATOM 0 HE22 GLN A 752 0.479 -9.276 10.888 1.00 0.00 H new ATOM 183 N ASN A 753 4.920 -3.477 9.050 1.00 0.00 N ATOM 184 CA ASN A 753 5.861 -2.629 8.328 1.00 0.00 C ATOM 185 C ASN A 753 5.221 -2.058 7.066 1.00 0.00 C ATOM 186 O ASN A 753 5.859 -1.975 6.017 1.00 0.00 O ATOM 187 CB ASN A 753 7.117 -3.422 7.962 1.00 0.00 C ATOM 188 CG ASN A 753 8.033 -3.636 9.152 1.00 0.00 C ATOM 189 OD1 ASN A 753 8.328 -2.702 9.898 1.00 0.00 O ATOM 190 ND2 ASN A 753 8.489 -4.870 9.334 1.00 0.00 N ATOM 0 H ASN A 753 4.770 -3.208 10.022 1.00 0.00 H new ATOM 0 HA ASN A 753 6.139 -1.801 8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.826 -4.389 7.552 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.661 -2.895 7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 753 9.110 -5.074 10.117 1.00 0.00 H new ATOM 0 HD22 ASN A 753 8.218 -5.614 8.691 1.00 0.00 H new ATOM 197 N GLY A 754 3.956 -1.664 7.176 1.00 0.00 N ATOM 198 CA GLY A 754 3.251 -1.106 6.038 1.00 0.00 C ATOM 199 C GLY A 754 1.872 -0.593 6.404 1.00 0.00 C ATOM 200 O GLY A 754 1.435 -0.731 7.547 1.00 0.00 O ATOM 0 H GLY A 754 3.407 -1.722 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 754 3.838 -0.291 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.158 -1.867 5.263 1.00 0.00 H new ATOM 204 N TRP A 755 1.187 0.002 5.434 1.00 0.00 N ATOM 205 CA TRP A 755 -0.149 0.539 5.662 1.00 0.00 C ATOM 206 C TRP A 755 -0.923 0.648 4.352 1.00 0.00 C ATOM 207 O TRP A 755 -0.336 0.634 3.270 1.00 0.00 O ATOM 208 CB TRP A 755 -0.063 1.911 6.332 1.00 0.00 C ATOM 209 CG TRP A 755 0.892 2.845 5.653 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.616 3.688 4.614 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.278 3.029 5.963 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.746 4.385 4.260 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.779 3.999 5.073 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.144 2.470 6.907 1.00 0.00 C ATOM 215 CZ2 TRP A 755 4.106 4.419 5.100 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.461 2.888 6.932 1.00 0.00 C ATOM 217 CH2 TRP A 755 4.931 3.855 6.035 1.00 0.00 C ATOM 0 H TRP A 755 1.535 0.125 4.483 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.681 -0.147 6.321 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -1.055 2.363 6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 755 0.243 1.782 7.370 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.349 3.791 4.140 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.806 5.077 3.513 1.00 0.00 H new ATOM 0 HE3 TRP A 755 2.790 1.725 7.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 4.471 5.163 4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.139 2.461 7.656 1.00 0.00 H new ATOM 0 HH2 TRP A 755 5.965 4.162 6.082 1.00 0.00 H new ATOM 228 N LYS A 756 -2.243 0.756 4.456 1.00 0.00 N ATOM 229 CA LYS A 756 -3.097 0.869 3.280 1.00 0.00 C ATOM 230 C LYS A 756 -3.673 2.276 3.159 1.00 0.00 C ATOM 231 O LYS A 756 -3.736 3.019 4.139 1.00 0.00 O ATOM 232 CB LYS A 756 -4.233 -0.155 3.350 1.00 0.00 C ATOM 233 CG LYS A 756 -5.126 0.010 4.567 1.00 0.00 C ATOM 234 CD LYS A 756 -6.049 -1.184 4.746 1.00 0.00 C ATOM 235 CE LYS A 756 -7.232 -0.844 5.640 1.00 0.00 C ATOM 236 NZ LYS A 756 -8.191 0.075 4.966 1.00 0.00 N ATOM 0 H LYS A 756 -2.745 0.768 5.344 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.488 0.668 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.841 -0.072 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.807 -1.158 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.510 0.132 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.720 0.918 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.410 -1.515 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.491 -2.015 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.747 -1.761 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -6.872 -0.382 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -9.106 0.044 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -7.817 1.045 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -8.320 -0.222 3.978 1.00 0.00 H new ATOM 250 N THR A 757 -4.095 2.636 1.951 1.00 0.00 N ATOM 251 CA THR A 757 -4.667 3.953 1.702 1.00 0.00 C ATOM 252 C THR A 757 -5.716 3.897 0.597 1.00 0.00 C ATOM 253 O THR A 757 -5.421 3.515 -0.536 1.00 0.00 O ATOM 254 CB THR A 757 -3.580 4.972 1.311 1.00 0.00 C ATOM 255 OG1 THR A 757 -2.852 4.500 0.172 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.621 5.212 2.468 1.00 0.00 C ATOM 0 H THR A 757 -4.051 2.033 1.129 1.00 0.00 H new ATOM 0 HA THR A 757 -5.139 4.274 2.631 1.00 0.00 H new ATOM 0 HB THR A 757 -4.069 5.914 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 757 -2.164 5.155 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.862 5.935 2.168 1.00 0.00 H new ATOM 0 HG22 THR A 757 -3.173 5.600 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 757 -2.139 4.273 2.742 1.00 0.00 H new ATOM 335 N LEU A 763 -16.017 0.839 1.887 1.00 0.00 N ATOM 336 CA LEU A 763 -15.440 -0.205 1.047 1.00 0.00 C ATOM 337 C LEU A 763 -16.532 -0.997 0.336 1.00 0.00 C ATOM 338 O LEU A 763 -16.918 -2.078 0.781 1.00 0.00 O ATOM 339 CB LEU A 763 -14.577 -1.146 1.889 1.00 0.00 C ATOM 340 CG LEU A 763 -13.348 -0.519 2.550 1.00 0.00 C ATOM 341 CD1 LEU A 763 -12.741 -1.476 3.564 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.319 -0.128 1.500 1.00 0.00 C ATOM 0 HA LEU A 763 -14.815 0.274 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.203 -1.580 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.244 -1.967 1.254 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.662 0.383 3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -11.868 -1.013 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -13.478 -1.706 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -12.442 -2.396 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.452 0.316 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.009 -1.014 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.758 0.595 0.812 1.00 0.00 H new ATOM 354 N VAL A 764 -17.024 -0.454 -0.773 1.00 0.00 N ATOM 355 CA VAL A 764 -18.069 -1.112 -1.548 1.00 0.00 C ATOM 356 C VAL A 764 -17.476 -1.906 -2.707 1.00 0.00 C ATOM 357 O VAL A 764 -16.345 -1.660 -3.127 1.00 0.00 O ATOM 358 CB VAL A 764 -19.082 -0.093 -2.103 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.770 0.649 -0.967 1.00 0.00 C ATOM 360 CG2 VAL A 764 -18.394 0.881 -3.047 1.00 0.00 C ATOM 0 H VAL A 764 -16.716 0.440 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.584 -1.793 -0.871 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.843 -0.633 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -20.482 1.365 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.297 -0.064 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -19.024 1.179 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -19.124 1.594 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -17.611 1.417 -2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.953 0.332 -3.879 1.00 0.00 H new ATOM 370 N ARG A 765 -18.248 -2.858 -3.221 1.00 0.00 N ATOM 371 CA ARG A 765 -17.799 -3.689 -4.331 1.00 0.00 C ATOM 372 C ARG A 765 -17.152 -2.838 -5.420 1.00 0.00 C ATOM 373 O ARG A 765 -17.692 -1.808 -5.821 1.00 0.00 O ATOM 374 CB ARG A 765 -18.974 -4.476 -4.915 1.00 0.00 C ATOM 375 CG ARG A 765 -20.125 -3.597 -5.378 1.00 0.00 C ATOM 376 CD ARG A 765 -21.444 -4.354 -5.361 1.00 0.00 C ATOM 377 NE ARG A 765 -22.131 -4.228 -4.078 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.407 -4.549 -3.893 1.00 0.00 C ATOM 379 NH1 ARG A 765 -24.130 -5.012 -4.903 1.00 0.00 N ATOM 380 NH2 ARG A 765 -23.961 -4.407 -2.696 1.00 0.00 N ATOM 0 H ARG A 765 -19.187 -3.073 -2.886 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.055 -4.389 -3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -18.620 -5.070 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -19.341 -5.175 -4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -20.198 -2.721 -4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -19.925 -3.234 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -22.088 -3.978 -6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.260 -5.407 -5.572 1.00 0.00 H new ATOM 0 HE ARG A 765 -21.602 -3.874 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -23.707 -5.123 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -25.109 -5.258 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -23.407 -4.051 -1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -24.941 -4.654 -2.555 1.00 0.00 H new ATOM 394 N GLY A 766 -15.989 -3.276 -5.894 1.00 0.00 N ATOM 395 CA GLY A 766 -15.287 -2.543 -6.931 1.00 0.00 C ATOM 396 C GLY A 766 -14.133 -1.727 -6.384 1.00 0.00 C ATOM 397 O GLY A 766 -13.069 -1.655 -6.998 1.00 0.00 O ATOM 0 H GLY A 766 -15.521 -4.125 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.911 -3.244 -7.676 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.987 -1.881 -7.441 1.00 0.00 H new ATOM 401 N ALA A 767 -14.343 -1.109 -5.226 1.00 0.00 N ATOM 402 CA ALA A 767 -13.311 -0.295 -4.596 1.00 0.00 C ATOM 403 C ALA A 767 -11.969 -1.019 -4.588 1.00 0.00 C ATOM 404 O ALA A 767 -11.914 -2.245 -4.679 1.00 0.00 O ATOM 405 CB ALA A 767 -13.722 0.075 -3.179 1.00 0.00 C ATOM 0 H ALA A 767 -15.219 -1.157 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 767 -13.197 0.619 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.942 0.683 -2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.653 0.640 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.866 -0.833 -2.593 1.00 0.00 H new ATOM 411 N ARG A 768 -10.889 -0.252 -4.480 1.00 0.00 N ATOM 412 CA ARG A 768 -9.547 -0.821 -4.462 1.00 0.00 C ATOM 413 C ARG A 768 -8.791 -0.392 -3.208 1.00 0.00 C ATOM 414 O ARG A 768 -9.270 0.440 -2.437 1.00 0.00 O ATOM 415 CB ARG A 768 -8.771 -0.392 -5.709 1.00 0.00 C ATOM 416 CG ARG A 768 -9.369 -0.912 -7.006 1.00 0.00 C ATOM 417 CD ARG A 768 -8.344 -0.915 -8.130 1.00 0.00 C ATOM 418 NE ARG A 768 -8.812 -1.659 -9.296 1.00 0.00 N ATOM 419 CZ ARG A 768 -8.062 -1.897 -10.366 1.00 0.00 C ATOM 420 NH1 ARG A 768 -6.814 -1.452 -10.417 1.00 0.00 N ATOM 421 NH2 ARG A 768 -8.559 -2.582 -11.388 1.00 0.00 N ATOM 0 H ARG A 768 -10.917 0.765 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.641 -1.907 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -8.733 0.697 -5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -7.743 -0.744 -5.626 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -9.747 -1.923 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -10.220 -0.293 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -8.122 0.112 -8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -7.413 -1.353 -7.770 1.00 0.00 H new ATOM 0 HE ARG A 768 -9.768 -2.016 -9.288 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -6.428 -0.926 -9.633 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -6.240 -1.636 -11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -9.518 -2.927 -11.353 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -7.982 -2.764 -12.209 1.00 0.00 H new ATOM 435 N ILE A 769 -7.609 -0.966 -3.010 1.00 0.00 N ATOM 436 CA ILE A 769 -6.788 -0.643 -1.850 1.00 0.00 C ATOM 437 C ILE A 769 -5.307 -0.628 -2.212 1.00 0.00 C ATOM 438 O ILE A 769 -4.811 -1.533 -2.885 1.00 0.00 O ATOM 439 CB ILE A 769 -7.015 -1.645 -0.703 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.511 -1.883 -0.493 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.368 -1.138 0.578 1.00 0.00 C ATOM 442 CD1 ILE A 769 -9.218 -0.729 0.185 1.00 0.00 C ATOM 0 H ILE A 769 -7.199 -1.657 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.088 0.351 -1.518 1.00 0.00 H new ATOM 0 HB ILE A 769 -6.550 -2.594 -0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.980 -2.069 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -8.647 -2.784 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.537 -1.857 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.296 -1.015 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.807 -0.179 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -10.275 -0.968 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.775 -0.557 1.166 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -9.114 0.170 -0.423 1.00 0.00 H new ATOM 454 N THR A 770 -4.602 0.405 -1.760 1.00 0.00 N ATOM 455 CA THR A 770 -3.177 0.538 -2.035 1.00 0.00 C ATOM 456 C THR A 770 -2.343 0.102 -0.836 1.00 0.00 C ATOM 457 O THR A 770 -2.371 0.739 0.216 1.00 0.00 O ATOM 458 CB THR A 770 -2.809 1.987 -2.403 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.711 2.485 -3.398 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.381 2.068 -2.921 1.00 0.00 C ATOM 0 H THR A 770 -4.996 1.162 -1.201 1.00 0.00 H new ATOM 0 HA THR A 770 -2.956 -0.111 -2.883 1.00 0.00 H new ATOM 0 HB THR A 770 -2.888 2.597 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.471 3.408 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 770 -1.144 3.101 -3.174 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.694 1.717 -2.151 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.280 1.444 -3.809 1.00 0.00 H new ATOM 468 N TYR A 771 -1.601 -0.987 -1.003 1.00 0.00 N ATOM 469 CA TYR A 771 -0.759 -1.510 0.067 1.00 0.00 C ATOM 470 C TYR A 771 0.680 -1.029 -0.088 1.00 0.00 C ATOM 471 O TYR A 771 1.305 -1.234 -1.129 1.00 0.00 O ATOM 472 CB TYR A 771 -0.800 -3.039 0.077 1.00 0.00 C ATOM 473 CG TYR A 771 -1.966 -3.608 0.854 1.00 0.00 C ATOM 474 CD1 TYR A 771 -1.896 -3.765 2.233 1.00 0.00 C ATOM 475 CD2 TYR A 771 -3.135 -3.991 0.209 1.00 0.00 C ATOM 476 CE1 TYR A 771 -2.958 -4.285 2.947 1.00 0.00 C ATOM 477 CE2 TYR A 771 -4.203 -4.511 0.916 1.00 0.00 C ATOM 478 CZ TYR A 771 -4.109 -4.657 2.284 1.00 0.00 C ATOM 479 OH TYR A 771 -5.170 -5.176 2.991 1.00 0.00 O ATOM 0 H TYR A 771 -1.565 -1.525 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 771 -1.147 -1.137 1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.848 -3.400 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.129 -3.416 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -0.996 -3.476 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -3.211 -3.881 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -2.888 -4.400 4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -5.106 -4.801 0.400 1.00 0.00 H new ATOM 0 HH TYR A 771 -5.374 -4.592 3.751 1.00 0.00 H new ATOM 489 N GLN A 772 1.200 -0.390 0.955 1.00 0.00 N ATOM 490 CA GLN A 772 2.566 0.120 0.934 1.00 0.00 C ATOM 491 C GLN A 772 3.353 -0.384 2.140 1.00 0.00 C ATOM 492 O GLN A 772 2.843 -0.412 3.260 1.00 0.00 O ATOM 493 CB GLN A 772 2.561 1.650 0.916 1.00 0.00 C ATOM 494 CG GLN A 772 3.812 2.254 0.299 1.00 0.00 C ATOM 495 CD GLN A 772 3.899 2.015 -1.195 1.00 0.00 C ATOM 496 OE1 GLN A 772 2.914 1.645 -1.835 1.00 0.00 O ATOM 497 NE2 GLN A 772 5.082 2.226 -1.761 1.00 0.00 N ATOM 0 H GLN A 772 0.697 -0.213 1.824 1.00 0.00 H new ATOM 0 HA GLN A 772 3.050 -0.245 0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.689 1.996 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.456 2.017 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.827 3.326 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.692 1.830 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 772 5.872 2.532 -1.193 1.00 0.00 H new ATOM 0 HE22 GLN A 772 5.201 2.082 -2.764 1.00 0.00 H new ATOM 506 N CYS A 773 4.598 -0.781 1.902 1.00 0.00 N ATOM 507 CA CYS A 773 5.457 -1.285 2.968 1.00 0.00 C ATOM 508 C CYS A 773 6.650 -0.360 3.189 1.00 0.00 C ATOM 509 O CYS A 773 6.851 0.599 2.443 1.00 0.00 O ATOM 510 CB CYS A 773 5.946 -2.696 2.633 1.00 0.00 C ATOM 511 SG CYS A 773 4.617 -3.936 2.518 1.00 0.00 S ATOM 0 H CYS A 773 5.035 -0.764 0.981 1.00 0.00 H new ATOM 0 HA CYS A 773 4.872 -1.319 3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.484 -2.667 1.686 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.659 -3.012 3.395 1.00 0.00 H new ATOM 516 N ASP A 774 7.438 -0.655 4.217 1.00 0.00 N ATOM 517 CA ASP A 774 8.612 0.149 4.536 1.00 0.00 C ATOM 518 C ASP A 774 9.601 0.150 3.374 1.00 0.00 C ATOM 519 O ASP A 774 9.604 -0.744 2.528 1.00 0.00 O ATOM 520 CB ASP A 774 9.291 -0.381 5.800 1.00 0.00 C ATOM 521 CG ASP A 774 8.712 0.223 7.064 1.00 0.00 C ATOM 522 OD1 ASP A 774 8.170 1.345 6.990 1.00 0.00 O ATOM 523 OD2 ASP A 774 8.803 -0.426 8.127 1.00 0.00 O ATOM 0 H ASP A 774 7.285 -1.445 4.844 1.00 0.00 H new ATOM 0 HA ASP A 774 8.284 1.174 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.186 -1.465 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.358 -0.165 5.753 1.00 0.00 H new ATOM 528 N PRO A 775 10.461 1.179 3.330 1.00 0.00 N ATOM 529 CA PRO A 775 11.470 1.322 2.277 1.00 0.00 C ATOM 530 C PRO A 775 12.575 0.276 2.386 1.00 0.00 C ATOM 531 O PRO A 775 13.358 0.284 3.335 1.00 0.00 O ATOM 532 CB PRO A 775 12.036 2.724 2.516 1.00 0.00 C ATOM 533 CG PRO A 775 11.796 2.988 3.962 1.00 0.00 C ATOM 534 CD PRO A 775 10.514 2.281 4.305 1.00 0.00 C ATOM 0 HA PRO A 775 11.044 1.183 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.098 2.768 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.537 3.464 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.621 2.616 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.715 4.058 4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.521 1.911 5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.653 2.942 4.211 1.00 0.00 H new ATOM 542 N GLY A 776 12.631 -0.623 1.409 1.00 0.00 N ATOM 543 CA GLY A 776 13.644 -1.663 1.415 1.00 0.00 C ATOM 544 C GLY A 776 13.048 -3.053 1.322 1.00 0.00 C ATOM 545 O GLY A 776 13.722 -3.999 0.915 1.00 0.00 O ATOM 0 H GLY A 776 11.993 -0.650 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.326 -1.507 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.235 -1.585 2.327 1.00 0.00 H new ATOM 549 N TYR A 777 11.781 -3.179 1.702 1.00 0.00 N ATOM 550 CA TYR A 777 11.096 -4.465 1.665 1.00 0.00 C ATOM 551 C TYR A 777 10.306 -4.623 0.369 1.00 0.00 C ATOM 552 O TYR A 777 10.274 -3.719 -0.466 1.00 0.00 O ATOM 553 CB TYR A 777 10.159 -4.603 2.866 1.00 0.00 C ATOM 554 CG TYR A 777 10.881 -4.853 4.171 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.726 -3.894 4.715 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.717 -6.049 4.860 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.388 -4.119 5.907 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.374 -6.282 6.052 1.00 0.00 C ATOM 559 CZ TYR A 777 12.209 -5.314 6.572 1.00 0.00 C ATOM 560 OH TYR A 777 12.865 -5.542 7.759 1.00 0.00 O ATOM 0 H TYR A 777 11.208 -2.406 2.039 1.00 0.00 H new ATOM 0 HA TYR A 777 11.850 -5.251 1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.564 -3.695 2.958 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.464 -5.422 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.868 -2.957 4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.065 -6.809 4.456 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.042 -3.363 6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.235 -7.217 6.575 1.00 0.00 H new ATOM 0 HH TYR A 777 12.629 -6.431 8.098 1.00 0.00 H new ATOM 570 N ASP A 778 9.668 -5.778 0.210 1.00 0.00 N ATOM 571 CA ASP A 778 8.876 -6.056 -0.982 1.00 0.00 C ATOM 572 C ASP A 778 7.553 -6.720 -0.613 1.00 0.00 C ATOM 573 O ASP A 778 7.431 -7.336 0.446 1.00 0.00 O ATOM 574 CB ASP A 778 9.659 -6.951 -1.944 1.00 0.00 C ATOM 575 CG ASP A 778 8.876 -7.275 -3.201 1.00 0.00 C ATOM 576 OD1 ASP A 778 8.326 -6.338 -3.816 1.00 0.00 O ATOM 577 OD2 ASP A 778 8.814 -8.467 -3.569 1.00 0.00 O ATOM 0 H ASP A 778 9.684 -6.536 0.892 1.00 0.00 H new ATOM 0 HA ASP A 778 8.661 -5.107 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 778 10.591 -6.457 -2.218 1.00 0.00 H new ATOM 0 HB3 ASP A 778 9.926 -7.878 -1.437 1.00 0.00 H new ATOM 582 N ILE A 779 6.565 -6.588 -1.492 1.00 0.00 N ATOM 583 CA ILE A 779 5.252 -7.176 -1.258 1.00 0.00 C ATOM 584 C ILE A 779 5.102 -8.499 -2.000 1.00 0.00 C ATOM 585 O ILE A 779 5.467 -8.613 -3.170 1.00 0.00 O ATOM 586 CB ILE A 779 4.123 -6.224 -1.696 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.089 -4.989 -0.793 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.783 -6.943 -1.670 1.00 0.00 C ATOM 589 CD1 ILE A 779 3.051 -3.968 -1.205 1.00 0.00 C ATOM 0 H ILE A 779 6.649 -6.079 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 779 5.172 -7.353 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 779 4.318 -5.899 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 779 3.891 -5.303 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 779 5.072 -4.518 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 779 1.996 -6.257 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.813 -7.794 -2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.578 -7.294 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 779 3.083 -3.120 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 779 3.260 -3.625 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 779 2.061 -4.422 -1.173 1.00 0.00 H new ATOM 601 N VAL A 780 4.560 -9.499 -1.311 1.00 0.00 N ATOM 602 CA VAL A 780 4.358 -10.815 -1.905 1.00 0.00 C ATOM 603 C VAL A 780 2.874 -11.119 -2.076 1.00 0.00 C ATOM 604 O VAL A 780 2.168 -11.387 -1.104 1.00 0.00 O ATOM 605 CB VAL A 780 5.002 -11.922 -1.049 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.813 -13.282 -1.704 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.478 -11.630 -0.824 1.00 0.00 C ATOM 0 H VAL A 780 4.253 -9.422 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 780 4.837 -10.797 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 780 4.507 -11.941 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 780 5.274 -14.051 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.748 -13.491 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 780 5.281 -13.280 -2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.917 -12.422 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.990 -11.583 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.586 -10.676 -0.308 1.00 0.00 H new ATOM 617 N GLY A 781 2.405 -11.076 -3.320 1.00 0.00 N ATOM 618 CA GLY A 781 1.007 -11.349 -3.596 1.00 0.00 C ATOM 619 C GLY A 781 0.356 -10.257 -4.422 1.00 0.00 C ATOM 620 O GLY A 781 1.012 -9.613 -5.240 1.00 0.00 O ATOM 0 H GLY A 781 2.969 -10.857 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.923 -12.299 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.468 -11.458 -2.655 1.00 0.00 H new ATOM 624 N SER A 782 -0.940 -10.050 -4.209 1.00 0.00 N ATOM 625 CA SER A 782 -1.682 -9.033 -4.944 1.00 0.00 C ATOM 626 C SER A 782 -1.499 -7.659 -4.305 1.00 0.00 C ATOM 627 O SER A 782 -2.041 -7.383 -3.235 1.00 0.00 O ATOM 628 CB SER A 782 -3.169 -9.391 -4.992 1.00 0.00 C ATOM 629 OG SER A 782 -3.411 -10.439 -5.915 1.00 0.00 O ATOM 0 H SER A 782 -1.497 -10.573 -3.534 1.00 0.00 H new ATOM 0 HA SER A 782 -1.291 -8.997 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.506 -9.691 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.749 -8.512 -5.274 1.00 0.00 H new ATOM 0 HG SER A 782 -4.368 -10.651 -5.926 1.00 0.00 H new ATOM 635 N ASP A 783 -0.732 -6.802 -4.970 1.00 0.00 N ATOM 636 CA ASP A 783 -0.477 -5.457 -4.469 1.00 0.00 C ATOM 637 C ASP A 783 -1.779 -4.674 -4.327 1.00 0.00 C ATOM 638 O ASP A 783 -2.017 -4.022 -3.311 1.00 0.00 O ATOM 639 CB ASP A 783 0.480 -4.714 -5.403 1.00 0.00 C ATOM 640 CG ASP A 783 0.083 -4.845 -6.861 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.808 -4.090 -7.304 1.00 0.00 O ATOM 642 OD2 ASP A 783 0.664 -5.702 -7.559 1.00 0.00 O ATOM 0 H ASP A 783 -0.276 -7.015 -5.857 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.017 -5.544 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.505 -3.659 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.490 -5.102 -5.268 1.00 0.00 H new ATOM 647 N THR A 784 -2.620 -4.742 -5.355 1.00 0.00 N ATOM 648 CA THR A 784 -3.896 -4.039 -5.347 1.00 0.00 C ATOM 649 C THR A 784 -5.046 -4.991 -5.040 1.00 0.00 C ATOM 650 O THR A 784 -5.256 -5.977 -5.747 1.00 0.00 O ATOM 651 CB THR A 784 -4.164 -3.346 -6.696 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.037 -2.545 -7.068 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.409 -2.474 -6.618 1.00 0.00 C ATOM 0 H THR A 784 -2.439 -5.278 -6.204 1.00 0.00 H new ATOM 0 HA THR A 784 -3.835 -3.283 -4.564 1.00 0.00 H new ATOM 0 HB THR A 784 -4.326 -4.117 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.266 -3.125 -7.241 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.578 -1.995 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.270 -3.092 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.271 -1.710 -5.852 1.00 0.00 H new ATOM 661 N LEU A 785 -5.790 -4.690 -3.981 1.00 0.00 N ATOM 662 CA LEU A 785 -6.922 -5.520 -3.580 1.00 0.00 C ATOM 663 C LEU A 785 -8.242 -4.871 -3.984 1.00 0.00 C ATOM 664 O LEU A 785 -8.607 -3.810 -3.476 1.00 0.00 O ATOM 665 CB LEU A 785 -6.897 -5.755 -2.069 1.00 0.00 C ATOM 666 CG LEU A 785 -5.917 -6.818 -1.571 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.492 -6.455 -1.962 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.032 -6.984 -0.063 1.00 0.00 C ATOM 0 H LEU A 785 -5.630 -3.878 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 785 -6.838 -6.479 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.658 -4.811 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -7.900 -6.036 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.171 -7.768 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -3.808 -7.223 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.419 -6.387 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.227 -5.495 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.327 -7.744 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -5.805 -6.037 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.046 -7.290 0.193 1.00 0.00 H new ATOM 680 N THR A 786 -8.957 -5.518 -4.900 1.00 0.00 N ATOM 681 CA THR A 786 -10.237 -5.005 -5.371 1.00 0.00 C ATOM 682 C THR A 786 -11.395 -5.841 -4.836 1.00 0.00 C ATOM 683 O THR A 786 -11.264 -7.051 -4.645 1.00 0.00 O ATOM 684 CB THR A 786 -10.302 -4.985 -6.910 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.103 -4.413 -7.443 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.506 -4.189 -7.390 1.00 0.00 C ATOM 0 H THR A 786 -8.671 -6.398 -5.330 1.00 0.00 H new ATOM 0 HA THR A 786 -10.325 -3.985 -4.997 1.00 0.00 H new ATOM 0 HB THR A 786 -10.402 -6.012 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.151 -4.405 -8.422 1.00 0.00 H new ATOM 0 HG21 THR A 786 -11.531 -4.189 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.419 -4.644 -7.006 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.432 -3.163 -7.029 1.00 0.00 H new ATOM 694 N CYS A 787 -12.528 -5.190 -4.596 1.00 0.00 N ATOM 695 CA CYS A 787 -13.709 -5.873 -4.083 1.00 0.00 C ATOM 696 C CYS A 787 -14.611 -6.331 -5.226 1.00 0.00 C ATOM 697 O CYS A 787 -14.832 -5.597 -6.188 1.00 0.00 O ATOM 698 CB CYS A 787 -14.488 -4.952 -3.142 1.00 0.00 C ATOM 699 SG CYS A 787 -15.682 -5.818 -2.074 1.00 0.00 S ATOM 0 H CYS A 787 -12.653 -4.189 -4.749 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.378 -6.752 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -13.781 -4.410 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.020 -4.209 -3.736 1.00 0.00 H new ATOM 704 N GLN A 788 -15.129 -7.550 -5.111 1.00 0.00 N ATOM 705 CA GLN A 788 -16.006 -8.107 -6.134 1.00 0.00 C ATOM 706 C GLN A 788 -17.460 -7.728 -5.869 1.00 0.00 C ATOM 707 O GLN A 788 -17.791 -7.208 -4.804 1.00 0.00 O ATOM 708 CB GLN A 788 -15.865 -9.629 -6.184 1.00 0.00 C ATOM 709 CG GLN A 788 -14.473 -10.098 -6.577 1.00 0.00 C ATOM 710 CD GLN A 788 -14.458 -11.530 -7.073 1.00 0.00 C ATOM 711 OE1 GLN A 788 -15.009 -11.840 -8.129 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.825 -12.414 -6.310 1.00 0.00 N ATOM 0 H GLN A 788 -14.956 -8.170 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.710 -7.690 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -16.116 -10.041 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.588 -10.030 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.080 -9.444 -7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.808 -10.008 -5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -13.382 -12.114 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.782 -13.393 -6.592 1.00 0.00 H new ATOM 721 N TRP A 789 -18.321 -7.991 -6.845 1.00 0.00 N ATOM 722 CA TRP A 789 -19.740 -7.677 -6.717 1.00 0.00 C ATOM 723 C TRP A 789 -20.334 -8.339 -5.479 1.00 0.00 C ATOM 724 O TRP A 789 -21.333 -7.870 -4.932 1.00 0.00 O ATOM 725 CB TRP A 789 -20.498 -8.130 -7.966 1.00 0.00 C ATOM 726 CG TRP A 789 -20.044 -9.459 -8.488 1.00 0.00 C ATOM 727 CD1 TRP A 789 -20.237 -10.678 -7.903 1.00 0.00 C ATOM 728 CD2 TRP A 789 -19.318 -9.703 -9.698 1.00 0.00 C ATOM 729 NE1 TRP A 789 -19.676 -11.665 -8.677 1.00 0.00 N ATOM 730 CE2 TRP A 789 -19.107 -11.093 -9.784 1.00 0.00 C ATOM 731 CE3 TRP A 789 -18.829 -8.883 -10.718 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -18.426 -11.677 -10.849 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -18.153 -9.464 -11.774 1.00 0.00 C ATOM 734 CH2 TRP A 789 -17.958 -10.851 -11.833 1.00 0.00 C ATOM 0 H TRP A 789 -18.062 -8.421 -7.733 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.840 -6.597 -6.612 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -21.562 -8.182 -7.737 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -20.377 -7.380 -8.748 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -20.754 -10.842 -6.969 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -19.682 -12.662 -8.462 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -18.977 -7.814 -10.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -18.273 -12.745 -10.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -17.769 -8.839 -12.567 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -17.428 -11.276 -12.672 1.00 0.00 H new ATOM 745 N ASP A 790 -19.716 -9.430 -5.042 1.00 0.00 N ATOM 746 CA ASP A 790 -20.184 -10.156 -3.867 1.00 0.00 C ATOM 747 C ASP A 790 -19.585 -9.569 -2.592 1.00 0.00 C ATOM 748 O ASP A 790 -19.525 -10.236 -1.558 1.00 0.00 O ATOM 749 CB ASP A 790 -19.824 -11.638 -3.979 1.00 0.00 C ATOM 750 CG ASP A 790 -20.627 -12.503 -3.028 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.874 -12.436 -3.074 1.00 0.00 O ATOM 752 OD2 ASP A 790 -20.010 -13.247 -2.238 1.00 0.00 O ATOM 0 H ASP A 790 -18.889 -9.832 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 790 -21.268 -10.057 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -19.994 -11.974 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -18.761 -11.767 -3.773 1.00 0.00 H new ATOM 757 N LEU A 791 -19.142 -8.320 -2.673 1.00 0.00 N ATOM 758 CA LEU A 791 -18.546 -7.643 -1.526 1.00 0.00 C ATOM 759 C LEU A 791 -17.447 -8.496 -0.901 1.00 0.00 C ATOM 760 O LEU A 791 -17.288 -8.526 0.319 1.00 0.00 O ATOM 761 CB LEU A 791 -19.619 -7.328 -0.481 1.00 0.00 C ATOM 762 CG LEU A 791 -20.982 -6.903 -1.027 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.945 -6.609 0.113 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.839 -5.688 -1.932 1.00 0.00 C ATOM 0 H LEU A 791 -19.184 -7.755 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 791 -18.102 -6.711 -1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.759 -8.210 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -19.246 -6.535 0.166 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.388 -7.725 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.910 -6.308 -0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.072 -7.504 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.544 -5.804 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.819 -5.400 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -20.411 -4.861 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -20.184 -5.932 -2.768 1.00 0.00 H new ATOM 776 N SER A 792 -16.688 -9.187 -1.747 1.00 0.00 N ATOM 777 CA SER A 792 -15.604 -10.042 -1.278 1.00 0.00 C ATOM 778 C SER A 792 -14.275 -9.622 -1.898 1.00 0.00 C ATOM 779 O SER A 792 -14.196 -9.344 -3.094 1.00 0.00 O ATOM 780 CB SER A 792 -15.898 -11.505 -1.614 1.00 0.00 C ATOM 781 OG SER A 792 -15.915 -11.712 -3.016 1.00 0.00 O ATOM 0 H SER A 792 -16.804 -9.171 -2.760 1.00 0.00 H new ATOM 0 HA SER A 792 -15.530 -9.934 -0.196 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.143 -12.145 -1.158 1.00 0.00 H new ATOM 0 HB3 SER A 792 -16.859 -11.793 -1.189 1.00 0.00 H new ATOM 0 HG SER A 792 -16.103 -12.655 -3.205 1.00 0.00 H new ATOM 787 N TRP A 793 -13.233 -9.581 -1.075 1.00 0.00 N ATOM 788 CA TRP A 793 -11.906 -9.196 -1.542 1.00 0.00 C ATOM 789 C TRP A 793 -11.336 -10.246 -2.488 1.00 0.00 C ATOM 790 O TRP A 793 -11.501 -11.446 -2.270 1.00 0.00 O ATOM 791 CB TRP A 793 -10.963 -8.996 -0.354 1.00 0.00 C ATOM 792 CG TRP A 793 -11.325 -7.817 0.499 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.854 -7.849 1.758 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.185 -6.435 0.154 1.00 0.00 C ATOM 795 NE1 TRP A 793 -12.051 -6.568 2.216 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.648 -5.683 1.252 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.711 -5.759 -0.973 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.652 -4.291 1.252 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.716 -4.377 -0.972 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.183 -3.655 0.134 1.00 0.00 C ATOM 0 H TRP A 793 -13.281 -9.809 -0.082 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.998 -8.256 -2.086 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.969 -9.896 0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.946 -8.869 -0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -12.083 -8.748 2.312 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.435 -6.317 3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.347 -6.307 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.012 -3.733 2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.354 -3.844 -1.839 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.173 -2.575 0.104 1.00 0.00 H new ATOM 811 N SER A 794 -10.663 -9.788 -3.539 1.00 0.00 N ATOM 812 CA SER A 794 -10.071 -10.689 -4.520 1.00 0.00 C ATOM 813 C SER A 794 -9.392 -11.870 -3.834 1.00 0.00 C ATOM 814 O SER A 794 -9.604 -13.024 -4.205 1.00 0.00 O ATOM 815 CB SER A 794 -9.059 -9.938 -5.388 1.00 0.00 C ATOM 816 OG SER A 794 -8.941 -10.537 -6.668 1.00 0.00 O ATOM 0 H SER A 794 -10.514 -8.798 -3.733 1.00 0.00 H new ATOM 0 HA SER A 794 -10.871 -11.071 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.369 -8.899 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.087 -9.931 -4.895 1.00 0.00 H new ATOM 0 HG SER A 794 -8.290 -10.038 -7.204 1.00 0.00 H new ATOM 822 N SER A 795 -8.574 -11.572 -2.829 1.00 0.00 N ATOM 823 CA SER A 795 -7.860 -12.607 -2.092 1.00 0.00 C ATOM 824 C SER A 795 -7.217 -12.032 -0.833 1.00 0.00 C ATOM 825 O SER A 795 -7.238 -10.822 -0.609 1.00 0.00 O ATOM 826 CB SER A 795 -6.790 -13.248 -2.978 1.00 0.00 C ATOM 827 OG SER A 795 -6.316 -14.457 -2.411 1.00 0.00 O ATOM 0 H SER A 795 -8.390 -10.622 -2.507 1.00 0.00 H new ATOM 0 HA SER A 795 -8.580 -13.370 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 795 -7.202 -13.444 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.960 -12.554 -3.110 1.00 0.00 H new ATOM 0 HG SER A 795 -5.635 -14.848 -2.997 1.00 0.00 H new ATOM 833 N ASP A 796 -6.646 -12.909 -0.015 1.00 0.00 N ATOM 834 CA ASP A 796 -5.995 -12.491 1.221 1.00 0.00 C ATOM 835 C ASP A 796 -5.001 -11.364 0.957 1.00 0.00 C ATOM 836 O ASP A 796 -4.426 -11.252 -0.126 1.00 0.00 O ATOM 837 CB ASP A 796 -5.281 -13.675 1.873 1.00 0.00 C ATOM 838 CG ASP A 796 -4.620 -14.585 0.856 1.00 0.00 C ATOM 839 OD1 ASP A 796 -3.603 -14.171 0.261 1.00 0.00 O ATOM 840 OD2 ASP A 796 -5.120 -15.711 0.655 1.00 0.00 O ATOM 0 H ASP A 796 -6.621 -13.914 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 796 -6.763 -12.122 1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -4.527 -13.303 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -5.998 -14.250 2.459 1.00 0.00 H new ATOM 845 N PRO A 797 -4.793 -10.509 1.969 1.00 0.00 N ATOM 846 CA PRO A 797 -3.868 -9.375 1.870 1.00 0.00 C ATOM 847 C PRO A 797 -2.410 -9.819 1.817 1.00 0.00 C ATOM 848 O PRO A 797 -2.010 -10.795 2.452 1.00 0.00 O ATOM 849 CB PRO A 797 -4.139 -8.584 3.152 1.00 0.00 C ATOM 850 CG PRO A 797 -4.672 -9.590 4.113 1.00 0.00 C ATOM 851 CD PRO A 797 -5.444 -10.583 3.288 1.00 0.00 C ATOM 0 HA PRO A 797 -4.024 -8.801 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.229 -8.119 3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -4.858 -7.783 2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -3.863 -10.079 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.314 -9.118 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.386 -11.587 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.501 -10.322 3.230 1.00 0.00 H new ATOM 859 N PRO A 798 -1.596 -9.088 1.042 1.00 0.00 N ATOM 860 CA PRO A 798 -0.169 -9.387 0.888 1.00 0.00 C ATOM 861 C PRO A 798 0.623 -9.102 2.159 1.00 0.00 C ATOM 862 O PRO A 798 0.053 -8.752 3.193 1.00 0.00 O ATOM 863 CB PRO A 798 0.271 -8.449 -0.238 1.00 0.00 C ATOM 864 CG PRO A 798 -0.698 -7.318 -0.189 1.00 0.00 C ATOM 865 CD PRO A 798 -2.006 -7.911 0.256 1.00 0.00 C ATOM 0 HA PRO A 798 0.006 -10.442 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.293 -8.102 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 798 0.245 -8.951 -1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.363 -6.547 0.505 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -0.796 -6.846 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.583 -7.208 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.630 -8.192 -0.593 1.00 0.00 H new ATOM 873 N PHE A 799 1.941 -9.253 2.076 1.00 0.00 N ATOM 874 CA PHE A 799 2.812 -9.012 3.220 1.00 0.00 C ATOM 875 C PHE A 799 4.145 -8.420 2.773 1.00 0.00 C ATOM 876 O PHE A 799 4.485 -8.448 1.590 1.00 0.00 O ATOM 877 CB PHE A 799 3.051 -10.313 3.989 1.00 0.00 C ATOM 878 CG PHE A 799 3.187 -11.517 3.102 1.00 0.00 C ATOM 879 CD1 PHE A 799 2.064 -12.159 2.606 1.00 0.00 C ATOM 880 CD2 PHE A 799 4.438 -12.008 2.765 1.00 0.00 C ATOM 881 CE1 PHE A 799 2.186 -13.267 1.789 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.566 -13.116 1.948 1.00 0.00 C ATOM 883 CZ PHE A 799 3.439 -13.747 1.461 1.00 0.00 C ATOM 0 H PHE A 799 2.429 -9.541 1.228 1.00 0.00 H new ATOM 0 HA PHE A 799 2.318 -8.296 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.955 -10.210 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 799 2.225 -10.473 4.682 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.082 -11.789 2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 799 5.323 -11.520 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.302 -13.757 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.547 -13.488 1.691 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.537 -14.614 0.825 1.00 0.00 H new ATOM 893 N CYS A 800 4.897 -7.882 3.729 1.00 0.00 N ATOM 894 CA CYS A 800 6.193 -7.282 3.436 1.00 0.00 C ATOM 895 C CYS A 800 7.329 -8.207 3.861 1.00 0.00 C ATOM 896 O CYS A 800 7.369 -8.675 4.999 1.00 0.00 O ATOM 897 CB CYS A 800 6.325 -5.933 4.146 1.00 0.00 C ATOM 898 SG CYS A 800 4.764 -5.003 4.273 1.00 0.00 S ATOM 0 H CYS A 800 4.630 -7.850 4.713 1.00 0.00 H new ATOM 0 HA CYS A 800 6.259 -7.126 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.719 -6.099 5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.056 -5.324 3.613 1.00 0.00 H new ATOM 903 N GLU A 801 8.252 -8.465 2.939 1.00 0.00 N ATOM 904 CA GLU A 801 9.389 -9.334 3.219 1.00 0.00 C ATOM 905 C GLU A 801 10.698 -8.666 2.810 1.00 0.00 C ATOM 906 O GLU A 801 10.731 -7.850 1.888 1.00 0.00 O ATOM 907 CB GLU A 801 9.232 -10.667 2.485 1.00 0.00 C ATOM 908 CG GLU A 801 9.994 -11.812 3.133 1.00 0.00 C ATOM 909 CD GLU A 801 9.336 -12.302 4.408 1.00 0.00 C ATOM 910 OE1 GLU A 801 9.647 -11.751 5.485 1.00 0.00 O ATOM 911 OE2 GLU A 801 8.511 -13.236 4.330 1.00 0.00 O ATOM 0 H GLU A 801 8.234 -8.085 1.993 1.00 0.00 H new ATOM 0 HA GLU A 801 9.417 -9.520 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.174 -10.925 2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.575 -10.549 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 801 10.070 -12.639 2.427 1.00 0.00 H new ATOM 0 HG3 GLU A 801 11.011 -11.488 3.355 1.00 0.00 H new ATOM 918 N LYS A 802 11.776 -9.018 3.502 1.00 0.00 N ATOM 919 CA LYS A 802 13.090 -8.454 3.212 1.00 0.00 C ATOM 920 C LYS A 802 13.661 -9.040 1.924 1.00 0.00 C ATOM 921 O LYS A 802 13.592 -10.248 1.695 1.00 0.00 O ATOM 922 CB LYS A 802 14.049 -8.718 4.374 1.00 0.00 C ATOM 923 CG LYS A 802 15.406 -8.057 4.206 1.00 0.00 C ATOM 924 CD LYS A 802 16.379 -8.962 3.469 1.00 0.00 C ATOM 925 CE LYS A 802 16.923 -10.054 4.377 1.00 0.00 C ATOM 926 NZ LYS A 802 18.102 -9.589 5.158 1.00 0.00 N ATOM 0 H LYS A 802 11.766 -9.691 4.268 1.00 0.00 H new ATOM 0 HA LYS A 802 12.975 -7.378 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.593 -8.362 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 802 14.189 -9.794 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.291 -7.122 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 802 15.813 -7.805 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 802 15.879 -9.415 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 802 17.205 -8.368 3.078 1.00 0.00 H new ATOM 0 HE2 LYS A 802 16.140 -10.381 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 802 17.203 -10.919 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 18.443 -10.362 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 18.859 -9.301 4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 17.829 -8.779 5.750 1.00 0.00 H new