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 X(o=0,f=0) USER MOD Single : A 753 ASN : amide:sc= -0.0902 K(o=-0.09,f=-1.2!) USER MOD Single : A 756 LYS NZ :NH3+ 136:sc= 0.61 (180deg=-0.207) USER MOD Single : A 757 THR OG1 : rot 180:sc= 0 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 180:sc= -0.0807 USER MOD Single : A 772 GLN : amide:sc= 0.0981 K(o=0.098,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 180:sc= 0 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 792 SER OG : rot 63:sc= 0.483 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot 180:sc= -0.16 USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.450 -3.814 1.811 1.00 0.00 N ATOM 60 CA GLY A 744 -19.089 -3.432 1.481 1.00 0.00 C ATOM 61 C GLY A 744 -18.066 -4.417 2.011 1.00 0.00 C ATOM 62 O GLY A 744 -18.201 -4.925 3.124 1.00 0.00 O ATOM 0 HA2 GLY A 744 -18.989 -3.356 0.398 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -18.883 -2.443 1.891 1.00 0.00 H new ATOM 66 N CYS A 745 -17.039 -4.689 1.212 1.00 0.00 N ATOM 67 CA CYS A 745 -15.989 -5.621 1.605 1.00 0.00 C ATOM 68 C CYS A 745 -15.621 -5.437 3.074 1.00 0.00 C ATOM 69 O CYS A 745 -15.812 -4.362 3.643 1.00 0.00 O ATOM 70 CB CYS A 745 -14.750 -5.425 0.729 1.00 0.00 C ATOM 71 SG CYS A 745 -14.786 -6.365 -0.831 1.00 0.00 S ATOM 0 H CYS A 745 -16.912 -4.277 0.288 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.366 -6.634 1.467 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.645 -4.365 0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -13.867 -5.718 1.297 1.00 0.00 H new ATOM 76 N SER A 746 -15.093 -6.494 3.683 1.00 0.00 N ATOM 77 CA SER A 746 -14.701 -6.451 5.087 1.00 0.00 C ATOM 78 C SER A 746 -13.362 -5.739 5.256 1.00 0.00 C ATOM 79 O SER A 746 -12.408 -6.007 4.526 1.00 0.00 O ATOM 80 CB SER A 746 -14.614 -7.868 5.657 1.00 0.00 C ATOM 81 OG SER A 746 -15.873 -8.302 6.141 1.00 0.00 O ATOM 0 H SER A 746 -14.927 -7.391 3.226 1.00 0.00 H new ATOM 0 HA SER A 746 -15.461 -5.893 5.634 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.262 -8.553 4.885 1.00 0.00 H new ATOM 0 HB3 SER A 746 -13.882 -7.894 6.464 1.00 0.00 H new ATOM 0 HG SER A 746 -15.791 -9.211 6.498 1.00 0.00 H new ATOM 87 N ASP A 747 -13.300 -4.831 6.223 1.00 0.00 N ATOM 88 CA ASP A 747 -12.079 -4.080 6.490 1.00 0.00 C ATOM 89 C ASP A 747 -10.862 -5.000 6.479 1.00 0.00 C ATOM 90 O ASP A 747 -10.920 -6.129 6.968 1.00 0.00 O ATOM 91 CB ASP A 747 -12.180 -3.363 7.838 1.00 0.00 C ATOM 92 CG ASP A 747 -13.545 -2.743 8.063 1.00 0.00 C ATOM 93 OD1 ASP A 747 -14.150 -2.268 7.079 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.008 -2.732 9.223 1.00 0.00 O ATOM 0 H ASP A 747 -14.081 -4.597 6.835 1.00 0.00 H new ATOM 0 HA ASP A 747 -11.958 -3.338 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.969 -4.071 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -11.418 -2.586 7.891 1.00 0.00 H new ATOM 99 N LEU A 748 -9.763 -4.511 5.917 1.00 0.00 N ATOM 100 CA LEU A 748 -8.531 -5.289 5.841 1.00 0.00 C ATOM 101 C LEU A 748 -7.823 -5.322 7.192 1.00 0.00 C ATOM 102 O LEU A 748 -7.891 -4.378 7.979 1.00 0.00 O ATOM 103 CB LEU A 748 -7.599 -4.703 4.779 1.00 0.00 C ATOM 104 CG LEU A 748 -7.962 -5.010 3.325 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.050 -6.512 3.103 1.00 0.00 C ATOM 106 CD2 LEU A 748 -9.272 -4.335 2.948 1.00 0.00 C ATOM 0 H LEU A 748 -9.699 -3.579 5.507 1.00 0.00 H new ATOM 0 HA LEU A 748 -8.792 -6.310 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -7.572 -3.621 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -6.590 -5.071 4.966 1.00 0.00 H new ATOM 0 HG LEU A 748 -7.175 -4.614 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.309 -6.712 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -7.088 -6.971 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -8.816 -6.932 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.514 -4.565 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -10.069 -4.700 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.173 -3.256 3.067 1.00 0.00 H new ATOM 118 N PRO A 749 -7.127 -6.435 7.468 1.00 0.00 N ATOM 119 CA PRO A 749 -6.390 -6.617 8.722 1.00 0.00 C ATOM 120 C PRO A 749 -5.168 -5.710 8.814 1.00 0.00 C ATOM 121 O PRO A 749 -4.769 -5.090 7.829 1.00 0.00 O ATOM 122 CB PRO A 749 -5.964 -8.086 8.673 1.00 0.00 C ATOM 123 CG PRO A 749 -5.920 -8.420 7.222 1.00 0.00 C ATOM 124 CD PRO A 749 -7.003 -7.600 6.576 1.00 0.00 C ATOM 0 HA PRO A 749 -6.997 -6.364 9.591 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -4.991 -8.232 9.142 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.673 -8.722 9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -4.945 -8.183 6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.088 -9.485 7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -6.732 -7.303 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -7.939 -8.154 6.506 1.00 0.00 H new ATOM 132 N GLU A 750 -4.577 -5.639 10.003 1.00 0.00 N ATOM 133 CA GLU A 750 -3.400 -4.807 10.221 1.00 0.00 C ATOM 134 C GLU A 750 -2.161 -5.441 9.594 1.00 0.00 C ATOM 135 O GLU A 750 -1.934 -6.645 9.723 1.00 0.00 O ATOM 136 CB GLU A 750 -3.172 -4.591 11.719 1.00 0.00 C ATOM 137 CG GLU A 750 -3.122 -5.881 12.520 1.00 0.00 C ATOM 138 CD GLU A 750 -2.501 -5.693 13.890 1.00 0.00 C ATOM 139 OE1 GLU A 750 -3.146 -5.062 14.753 1.00 0.00 O ATOM 140 OE2 GLU A 750 -1.369 -6.178 14.100 1.00 0.00 O ATOM 0 H GLU A 750 -4.894 -6.147 10.829 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.575 -3.843 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.237 -4.049 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -3.969 -3.960 12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -4.133 -6.273 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -2.552 -6.627 11.966 1.00 0.00 H new ATOM 147 N ILE A 751 -1.366 -4.623 8.913 1.00 0.00 N ATOM 148 CA ILE A 751 -0.151 -5.103 8.266 1.00 0.00 C ATOM 149 C ILE A 751 1.093 -4.620 9.004 1.00 0.00 C ATOM 150 O ILE A 751 1.140 -3.488 9.485 1.00 0.00 O ATOM 151 CB ILE A 751 -0.075 -4.642 6.799 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.353 -4.788 6.269 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.549 -3.203 6.670 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.424 -4.996 4.772 1.00 0.00 C ATOM 0 H ILE A 751 -1.541 -3.625 8.795 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.188 -6.192 8.295 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.731 -5.274 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.922 -3.896 6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.833 -5.630 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.489 -2.892 5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.581 -3.128 7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.083 -2.556 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.466 -5.091 4.467 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.883 -5.904 4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.974 -4.143 4.264 1.00 0.00 H new ATOM 166 N GLN A 752 2.098 -5.485 9.088 1.00 0.00 N ATOM 167 CA GLN A 752 3.344 -5.145 9.766 1.00 0.00 C ATOM 168 C GLN A 752 4.274 -4.369 8.840 1.00 0.00 C ATOM 169 O GLN A 752 4.290 -4.593 7.630 1.00 0.00 O ATOM 170 CB GLN A 752 4.040 -6.413 10.264 1.00 0.00 C ATOM 171 CG GLN A 752 4.570 -7.295 9.144 1.00 0.00 C ATOM 172 CD GLN A 752 5.340 -8.494 9.661 1.00 0.00 C ATOM 173 OE1 GLN A 752 6.557 -8.433 9.841 1.00 0.00 O ATOM 174 NE2 GLN A 752 4.635 -9.592 9.903 1.00 0.00 N ATOM 0 H GLN A 752 2.074 -6.426 8.695 1.00 0.00 H new ATOM 0 HA GLN A 752 3.103 -4.512 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 752 4.867 -6.132 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 752 3.339 -6.989 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.736 -7.640 8.532 1.00 0.00 H new ATOM 0 HG3 GLN A 752 5.217 -6.704 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 752 3.628 -9.598 9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 752 5.100 -10.430 10.252 1.00 0.00 H new ATOM 183 N ASN A 753 5.048 -3.455 9.417 1.00 0.00 N ATOM 184 CA ASN A 753 5.981 -2.645 8.642 1.00 0.00 C ATOM 185 C ASN A 753 5.339 -2.170 7.342 1.00 0.00 C ATOM 186 O ASN A 753 5.925 -2.293 6.267 1.00 0.00 O ATOM 187 CB ASN A 753 7.249 -3.444 8.335 1.00 0.00 C ATOM 188 CG ASN A 753 8.223 -3.450 9.498 1.00 0.00 C ATOM 189 OD1 ASN A 753 8.330 -2.472 10.238 1.00 0.00 O ATOM 190 ND2 ASN A 753 8.941 -4.555 9.662 1.00 0.00 N ATOM 0 H ASN A 753 5.047 -3.257 10.418 1.00 0.00 H new ATOM 0 HA ASN A 753 6.245 -1.771 9.237 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.978 -4.470 8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.738 -3.022 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 753 9.614 -4.617 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 753 8.819 -5.342 9.024 1.00 0.00 H new ATOM 197 N GLY A 754 4.131 -1.625 7.449 1.00 0.00 N ATOM 198 CA GLY A 754 3.430 -1.139 6.275 1.00 0.00 C ATOM 199 C GLY A 754 2.040 -0.628 6.600 1.00 0.00 C ATOM 200 O GLY A 754 1.565 -0.775 7.727 1.00 0.00 O ATOM 0 H GLY A 754 3.625 -1.511 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.010 -0.339 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.356 -1.942 5.541 1.00 0.00 H new ATOM 204 N TRP A 755 1.387 -0.025 5.613 1.00 0.00 N ATOM 205 CA TRP A 755 0.044 0.511 5.801 1.00 0.00 C ATOM 206 C TRP A 755 -0.715 0.553 4.479 1.00 0.00 C ATOM 207 O TRP A 755 -0.114 0.661 3.410 1.00 0.00 O ATOM 208 CB TRP A 755 0.113 1.913 6.408 1.00 0.00 C ATOM 209 CG TRP A 755 0.954 2.865 5.613 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.547 3.641 4.565 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.347 3.139 5.800 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.602 4.381 4.090 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.718 4.092 4.831 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.317 2.674 6.693 1.00 0.00 C ATOM 215 CZ2 TRP A 755 4.016 4.585 4.731 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.605 3.165 6.592 1.00 0.00 C ATOM 217 CH2 TRP A 755 4.945 4.113 5.618 1.00 0.00 C ATOM 0 H TRP A 755 1.766 0.105 4.675 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.491 -0.148 6.485 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.897 2.315 6.492 1.00 0.00 H new ATOM 0 HB3 TRP A 755 0.513 1.844 7.419 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.457 3.669 4.168 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.561 5.039 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.064 1.944 7.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 4.281 5.314 3.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.363 2.812 7.276 1.00 0.00 H new ATOM 0 HH2 TRP A 755 5.960 4.478 5.566 1.00 0.00 H new ATOM 228 N LYS A 756 -2.038 0.467 4.559 1.00 0.00 N ATOM 229 CA LYS A 756 -2.880 0.497 3.369 1.00 0.00 C ATOM 230 C LYS A 756 -3.662 1.804 3.287 1.00 0.00 C ATOM 231 O LYS A 756 -3.770 2.537 4.271 1.00 0.00 O ATOM 232 CB LYS A 756 -3.848 -0.689 3.374 1.00 0.00 C ATOM 233 CG LYS A 756 -4.914 -0.598 4.452 1.00 0.00 C ATOM 234 CD LYS A 756 -5.545 -1.953 4.728 1.00 0.00 C ATOM 235 CE LYS A 756 -4.632 -2.831 5.571 1.00 0.00 C ATOM 236 NZ LYS A 756 -4.528 -2.338 6.972 1.00 0.00 N ATOM 0 H LYS A 756 -2.551 0.376 5.436 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.232 0.427 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.333 -0.756 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.281 -1.610 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.473 -0.207 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.685 0.108 4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.496 -1.815 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.763 -2.453 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -5.011 -3.853 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -3.639 -2.860 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -4.601 -3.141 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -3.613 -1.863 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -5.298 -1.665 7.161 1.00 0.00 H new ATOM 250 N THR A 757 -4.206 2.091 2.109 1.00 0.00 N ATOM 251 CA THR A 757 -4.978 3.310 1.900 1.00 0.00 C ATOM 252 C THR A 757 -5.891 3.180 0.686 1.00 0.00 C ATOM 253 O THR A 757 -5.606 2.422 -0.242 1.00 0.00 O ATOM 254 CB THR A 757 -4.058 4.531 1.708 1.00 0.00 C ATOM 255 OG1 THR A 757 -2.846 4.134 1.057 1.00 0.00 O ATOM 256 CG2 THR A 757 -3.733 5.178 3.046 1.00 0.00 C ATOM 0 H THR A 757 -4.126 1.496 1.285 1.00 0.00 H new ATOM 0 HA THR A 757 -5.584 3.458 2.794 1.00 0.00 H new ATOM 0 HB THR A 757 -4.581 5.259 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 757 -2.268 4.916 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 757 -3.082 6.038 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 757 -4.656 5.505 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 757 -3.228 4.455 3.687 1.00 0.00 H new ATOM 335 N LEU A 763 -15.942 1.446 1.747 1.00 0.00 N ATOM 336 CA LEU A 763 -15.532 0.261 1.002 1.00 0.00 C ATOM 337 C LEU A 763 -16.718 -0.362 0.273 1.00 0.00 C ATOM 338 O LEU A 763 -17.458 -1.165 0.842 1.00 0.00 O ATOM 339 CB LEU A 763 -14.903 -0.766 1.946 1.00 0.00 C ATOM 340 CG LEU A 763 -13.752 -0.261 2.817 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.261 -1.361 3.744 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.613 0.256 1.950 1.00 0.00 C ATOM 0 HA LEU A 763 -14.793 0.566 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.684 -1.154 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.541 -1.604 1.350 1.00 0.00 H new ATOM 0 HG LEU A 763 -14.120 0.563 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -12.442 -0.983 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.077 -1.684 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -12.911 -2.207 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.803 0.611 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.247 -0.549 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.972 1.076 1.329 1.00 0.00 H new ATOM 354 N VAL A 764 -16.893 0.013 -0.990 1.00 0.00 N ATOM 355 CA VAL A 764 -17.987 -0.511 -1.799 1.00 0.00 C ATOM 356 C VAL A 764 -17.461 -1.228 -3.037 1.00 0.00 C ATOM 357 O VAL A 764 -16.261 -1.218 -3.310 1.00 0.00 O ATOM 358 CB VAL A 764 -18.947 0.611 -2.238 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.642 1.223 -1.031 1.00 0.00 C ATOM 360 CG2 VAL A 764 -18.198 1.674 -3.028 1.00 0.00 C ATOM 0 H VAL A 764 -16.291 0.678 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.530 -1.221 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.710 0.179 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -20.316 2.014 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -20.213 0.454 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.896 1.641 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.891 2.459 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -17.412 2.103 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.753 1.222 -3.914 1.00 0.00 H new ATOM 370 N ARG A 765 -18.368 -1.851 -3.783 1.00 0.00 N ATOM 371 CA ARG A 765 -17.995 -2.574 -4.993 1.00 0.00 C ATOM 372 C ARG A 765 -17.056 -1.740 -5.858 1.00 0.00 C ATOM 373 O ARG A 765 -17.294 -0.554 -6.086 1.00 0.00 O ATOM 374 CB ARG A 765 -19.244 -2.950 -5.793 1.00 0.00 C ATOM 375 CG ARG A 765 -20.071 -4.052 -5.150 1.00 0.00 C ATOM 376 CD ARG A 765 -21.493 -4.066 -5.686 1.00 0.00 C ATOM 377 NE ARG A 765 -22.344 -3.092 -5.008 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.671 -3.106 -5.069 1.00 0.00 C ATOM 379 NH1 ARG A 765 -24.295 -4.040 -5.772 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.375 -2.185 -4.424 1.00 0.00 N ATOM 0 H ARG A 765 -19.366 -1.870 -3.571 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.474 -3.484 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.867 -2.064 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -18.943 -3.268 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.601 -5.017 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -20.090 -3.911 -4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -21.479 -3.853 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -21.916 -5.063 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 765 -21.895 -2.361 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -23.756 -4.750 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -25.314 -4.049 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -23.897 -1.466 -3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -25.394 -2.196 -4.471 1.00 0.00 H new ATOM 394 N GLY A 766 -15.987 -2.368 -6.338 1.00 0.00 N ATOM 395 CA GLY A 766 -15.027 -1.668 -7.172 1.00 0.00 C ATOM 396 C GLY A 766 -13.898 -1.055 -6.368 1.00 0.00 C ATOM 397 O GLY A 766 -12.759 -0.994 -6.830 1.00 0.00 O ATOM 0 H GLY A 766 -15.768 -3.349 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.613 -2.361 -7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.539 -0.884 -7.730 1.00 0.00 H new ATOM 401 N ALA A 767 -14.214 -0.598 -5.161 1.00 0.00 N ATOM 402 CA ALA A 767 -13.218 0.014 -4.290 1.00 0.00 C ATOM 403 C ALA A 767 -11.877 -0.705 -4.402 1.00 0.00 C ATOM 404 O ALA A 767 -11.812 -1.932 -4.336 1.00 0.00 O ATOM 405 CB ALA A 767 -13.702 0.009 -2.848 1.00 0.00 C ATOM 0 H ALA A 767 -15.153 -0.640 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 767 -13.077 1.046 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.948 0.469 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.632 0.572 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.873 -1.018 -2.525 1.00 0.00 H new ATOM 411 N ARG A 768 -10.809 0.069 -4.572 1.00 0.00 N ATOM 412 CA ARG A 768 -9.470 -0.495 -4.694 1.00 0.00 C ATOM 413 C ARG A 768 -8.579 -0.034 -3.544 1.00 0.00 C ATOM 414 O ARG A 768 -8.510 1.156 -3.238 1.00 0.00 O ATOM 415 CB ARG A 768 -8.845 -0.091 -6.031 1.00 0.00 C ATOM 416 CG ARG A 768 -7.427 -0.606 -6.220 1.00 0.00 C ATOM 417 CD ARG A 768 -6.399 0.386 -5.699 1.00 0.00 C ATOM 418 NE ARG A 768 -6.431 1.645 -6.438 1.00 0.00 N ATOM 419 CZ ARG A 768 -5.789 1.840 -7.585 1.00 0.00 C ATOM 420 NH1 ARG A 768 -5.070 0.863 -8.121 1.00 0.00 N ATOM 421 NH2 ARG A 768 -5.866 3.015 -8.198 1.00 0.00 N ATOM 0 H ARG A 768 -10.845 1.087 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.554 -1.581 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -9.470 -0.465 -6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -8.841 0.996 -6.107 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -7.312 -1.557 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -7.246 -0.797 -7.278 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -6.586 0.581 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -5.403 -0.052 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 768 -6.976 2.417 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -5.009 -0.041 -7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -4.578 1.016 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -6.418 3.769 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -5.373 3.164 -9.078 1.00 0.00 H new ATOM 435 N ILE A 769 -7.901 -0.985 -2.911 1.00 0.00 N ATOM 436 CA ILE A 769 -7.014 -0.677 -1.796 1.00 0.00 C ATOM 437 C ILE A 769 -5.557 -0.937 -2.163 1.00 0.00 C ATOM 438 O ILE A 769 -5.242 -1.911 -2.848 1.00 0.00 O ATOM 439 CB ILE A 769 -7.373 -1.504 -0.547 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.743 -1.087 -0.008 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.304 -1.339 0.523 1.00 0.00 C ATOM 442 CD1 ILE A 769 -9.156 -1.839 1.238 1.00 0.00 C ATOM 0 H ILE A 769 -7.949 -1.975 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.145 0.382 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 769 -7.419 -2.556 -0.828 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.729 -0.019 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.493 -1.245 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.572 -1.929 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.345 -1.681 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.228 -0.288 0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -10.137 -1.492 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -9.202 -2.906 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.427 -1.661 2.029 1.00 0.00 H new ATOM 454 N THR A 770 -4.671 -0.061 -1.702 1.00 0.00 N ATOM 455 CA THR A 770 -3.247 -0.195 -1.981 1.00 0.00 C ATOM 456 C THR A 770 -2.468 -0.537 -0.716 1.00 0.00 C ATOM 457 O THR A 770 -2.885 -0.198 0.392 1.00 0.00 O ATOM 458 CB THR A 770 -2.669 1.096 -2.592 1.00 0.00 C ATOM 459 OG1 THR A 770 -1.403 0.825 -3.203 1.00 0.00 O ATOM 460 CG2 THR A 770 -2.505 2.171 -1.529 1.00 0.00 C ATOM 0 H THR A 770 -4.915 0.750 -1.133 1.00 0.00 H new ATOM 0 HA THR A 770 -3.142 -1.007 -2.700 1.00 0.00 H new ATOM 0 HB THR A 770 -3.366 1.458 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 770 -1.043 1.650 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 770 -2.096 3.073 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 770 -3.475 2.396 -1.086 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.826 1.815 -0.754 1.00 0.00 H new ATOM 468 N TYR A 771 -1.336 -1.210 -0.887 1.00 0.00 N ATOM 469 CA TYR A 771 -0.500 -1.600 0.242 1.00 0.00 C ATOM 470 C TYR A 771 0.897 -0.998 0.119 1.00 0.00 C ATOM 471 O TYR A 771 1.634 -1.302 -0.819 1.00 0.00 O ATOM 472 CB TYR A 771 -0.405 -3.124 0.332 1.00 0.00 C ATOM 473 CG TYR A 771 -1.501 -3.751 1.164 1.00 0.00 C ATOM 474 CD1 TYR A 771 -2.823 -3.728 0.737 1.00 0.00 C ATOM 475 CD2 TYR A 771 -1.214 -4.366 2.376 1.00 0.00 C ATOM 476 CE1 TYR A 771 -3.828 -4.299 1.495 1.00 0.00 C ATOM 477 CE2 TYR A 771 -2.212 -4.941 3.139 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.517 -4.905 2.694 1.00 0.00 C ATOM 479 OH TYR A 771 -4.514 -5.476 3.451 1.00 0.00 O ATOM 0 H TYR A 771 -0.976 -1.497 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.962 -1.218 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.440 -3.542 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.562 -3.395 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -3.069 -3.256 -0.203 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -0.193 -4.395 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -4.851 -4.271 1.150 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -1.972 -5.416 4.079 1.00 0.00 H new ATOM 0 HH TYR A 771 -4.127 -5.861 4.265 1.00 0.00 H new ATOM 489 N GLN A 772 1.252 -0.144 1.073 1.00 0.00 N ATOM 490 CA GLN A 772 2.560 0.500 1.072 1.00 0.00 C ATOM 491 C GLN A 772 3.425 -0.021 2.215 1.00 0.00 C ATOM 492 O GLN A 772 3.029 0.029 3.380 1.00 0.00 O ATOM 493 CB GLN A 772 2.405 2.018 1.186 1.00 0.00 C ATOM 494 CG GLN A 772 1.910 2.676 -0.092 1.00 0.00 C ATOM 495 CD GLN A 772 1.672 4.164 0.073 1.00 0.00 C ATOM 496 OE1 GLN A 772 1.279 4.627 1.144 1.00 0.00 O ATOM 497 NE2 GLN A 772 1.909 4.923 -0.990 1.00 0.00 N ATOM 0 H GLN A 772 0.653 0.118 1.856 1.00 0.00 H new ATOM 0 HA GLN A 772 3.053 0.261 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.710 2.244 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 772 3.366 2.454 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 772 2.639 2.514 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 772 0.984 2.196 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 772 2.234 4.498 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 772 1.766 5.932 -0.939 1.00 0.00 H new ATOM 506 N CYS A 773 4.608 -0.523 1.874 1.00 0.00 N ATOM 507 CA CYS A 773 5.529 -1.055 2.871 1.00 0.00 C ATOM 508 C CYS A 773 6.737 -0.137 3.040 1.00 0.00 C ATOM 509 O CYS A 773 6.894 0.840 2.308 1.00 0.00 O ATOM 510 CB CYS A 773 5.992 -2.457 2.471 1.00 0.00 C ATOM 511 SG CYS A 773 4.656 -3.693 2.413 1.00 0.00 S ATOM 0 H CYS A 773 4.951 -0.572 0.915 1.00 0.00 H new ATOM 0 HA CYS A 773 5.002 -1.112 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.467 -2.405 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.752 -2.792 3.177 1.00 0.00 H new ATOM 516 N ASP A 774 7.586 -0.460 4.009 1.00 0.00 N ATOM 517 CA ASP A 774 8.781 0.334 4.274 1.00 0.00 C ATOM 518 C ASP A 774 9.694 0.365 3.053 1.00 0.00 C ATOM 519 O ASP A 774 9.697 -0.546 2.225 1.00 0.00 O ATOM 520 CB ASP A 774 9.537 -0.230 5.478 1.00 0.00 C ATOM 521 CG ASP A 774 8.682 -0.277 6.729 1.00 0.00 C ATOM 522 OD1 ASP A 774 7.464 -0.020 6.624 1.00 0.00 O ATOM 523 OD2 ASP A 774 9.230 -0.570 7.812 1.00 0.00 O ATOM 0 H ASP A 774 7.470 -1.265 4.624 1.00 0.00 H new ATOM 0 HA ASP A 774 8.468 1.354 4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.889 -1.235 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.420 0.381 5.668 1.00 0.00 H new ATOM 528 N PRO A 775 10.488 1.440 2.935 1.00 0.00 N ATOM 529 CA PRO A 775 11.421 1.617 1.818 1.00 0.00 C ATOM 530 C PRO A 775 12.589 0.638 1.877 1.00 0.00 C ATOM 531 O PRO A 775 13.596 0.899 2.534 1.00 0.00 O ATOM 532 CB PRO A 775 11.917 3.054 1.994 1.00 0.00 C ATOM 533 CG PRO A 775 11.752 3.336 3.447 1.00 0.00 C ATOM 534 CD PRO A 775 10.537 2.565 3.884 1.00 0.00 C ATOM 0 HA PRO A 775 10.944 1.432 0.856 1.00 0.00 H new ATOM 0 HB2 PRO A 775 12.958 3.154 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.338 3.750 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.634 3.025 4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.621 4.403 3.625 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.629 2.219 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.634 3.174 3.832 1.00 0.00 H new ATOM 542 N GLY A 776 12.447 -0.489 1.186 1.00 0.00 N ATOM 543 CA GLY A 776 13.498 -1.489 1.174 1.00 0.00 C ATOM 544 C GLY A 776 12.955 -2.903 1.227 1.00 0.00 C ATOM 545 O GLY A 776 13.697 -3.868 1.045 1.00 0.00 O ATOM 0 H GLY A 776 11.623 -0.727 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.100 -1.368 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.160 -1.326 2.024 1.00 0.00 H new ATOM 549 N TYR A 777 11.656 -3.026 1.478 1.00 0.00 N ATOM 550 CA TYR A 777 11.014 -4.333 1.558 1.00 0.00 C ATOM 551 C TYR A 777 10.268 -4.654 0.267 1.00 0.00 C ATOM 552 O TYR A 777 10.202 -3.831 -0.646 1.00 0.00 O ATOM 553 CB TYR A 777 10.048 -4.378 2.743 1.00 0.00 C ATOM 554 CG TYR A 777 10.737 -4.330 4.088 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.511 -3.237 4.456 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.612 -5.378 4.992 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.142 -3.189 5.684 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.239 -5.339 6.222 1.00 0.00 C ATOM 559 CZ TYR A 777 12.003 -4.243 6.564 1.00 0.00 C ATOM 560 OH TYR A 777 12.630 -4.199 7.788 1.00 0.00 O ATOM 0 H TYR A 777 11.027 -2.237 1.629 1.00 0.00 H new ATOM 0 HA TYR A 777 11.792 -5.083 1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.356 -3.539 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.453 -5.289 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.621 -2.410 3.770 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.014 -6.238 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 777 12.741 -2.332 5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.132 -6.163 6.912 1.00 0.00 H new ATOM 0 HH TYR A 777 12.430 -5.018 8.288 1.00 0.00 H new ATOM 570 N ASP A 778 9.707 -5.856 0.199 1.00 0.00 N ATOM 571 CA ASP A 778 8.964 -6.288 -0.979 1.00 0.00 C ATOM 572 C ASP A 778 7.588 -6.819 -0.589 1.00 0.00 C ATOM 573 O ASP A 778 7.361 -7.196 0.561 1.00 0.00 O ATOM 574 CB ASP A 778 9.744 -7.364 -1.736 1.00 0.00 C ATOM 575 CG ASP A 778 8.977 -7.906 -2.926 1.00 0.00 C ATOM 576 OD1 ASP A 778 9.067 -7.303 -4.016 1.00 0.00 O ATOM 577 OD2 ASP A 778 8.288 -8.935 -2.767 1.00 0.00 O ATOM 0 H ASP A 778 9.753 -6.549 0.946 1.00 0.00 H new ATOM 0 HA ASP A 778 8.829 -5.424 -1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 778 10.692 -6.949 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 778 9.981 -8.183 -1.057 1.00 0.00 H new ATOM 582 N ILE A 779 6.675 -6.846 -1.553 1.00 0.00 N ATOM 583 CA ILE A 779 5.322 -7.332 -1.310 1.00 0.00 C ATOM 584 C ILE A 779 5.124 -8.726 -1.897 1.00 0.00 C ATOM 585 O ILE A 779 5.653 -9.043 -2.962 1.00 0.00 O ATOM 586 CB ILE A 779 4.267 -6.382 -1.907 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.285 -5.039 -1.174 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.884 -7.012 -1.834 1.00 0.00 C ATOM 589 CD1 ILE A 779 3.005 -4.248 -1.329 1.00 0.00 C ATOM 0 H ILE A 779 6.847 -6.537 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 779 5.192 -7.374 -0.229 1.00 0.00 H new ATOM 0 HB ILE A 779 4.510 -6.206 -2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 779 4.467 -5.215 -0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 779 5.118 -4.443 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 779 2.150 -6.328 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.879 -7.946 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.631 -7.214 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 779 3.090 -3.308 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.831 -4.040 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 779 2.170 -4.825 -0.931 1.00 0.00 H new ATOM 601 N VAL A 780 4.358 -9.554 -1.194 1.00 0.00 N ATOM 602 CA VAL A 780 4.088 -10.914 -1.646 1.00 0.00 C ATOM 603 C VAL A 780 2.588 -11.169 -1.754 1.00 0.00 C ATOM 604 O VAL A 780 1.890 -11.266 -0.746 1.00 0.00 O ATOM 605 CB VAL A 780 4.707 -11.955 -0.695 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.392 -13.366 -1.169 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.209 -11.745 -0.582 1.00 0.00 C ATOM 0 H VAL A 780 3.914 -9.307 -0.310 1.00 0.00 H new ATOM 0 HA VAL A 780 4.544 -11.017 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 780 4.269 -11.824 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 780 4.838 -14.088 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.312 -13.509 -1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 780 4.801 -13.514 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.631 -12.489 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.666 -11.848 -1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.409 -10.747 -0.193 1.00 0.00 H new ATOM 617 N GLY A 781 2.099 -11.276 -2.986 1.00 0.00 N ATOM 618 CA GLY A 781 0.685 -11.519 -3.204 1.00 0.00 C ATOM 619 C GLY A 781 0.069 -10.529 -4.173 1.00 0.00 C ATOM 620 O GLY A 781 0.650 -10.227 -5.215 1.00 0.00 O ATOM 0 H GLY A 781 2.657 -11.199 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.548 -12.530 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.159 -11.465 -2.251 1.00 0.00 H new ATOM 624 N SER A 782 -1.112 -10.025 -3.830 1.00 0.00 N ATOM 625 CA SER A 782 -1.810 -9.067 -4.679 1.00 0.00 C ATOM 626 C SER A 782 -1.764 -7.668 -4.073 1.00 0.00 C ATOM 627 O SER A 782 -2.546 -7.340 -3.181 1.00 0.00 O ATOM 628 CB SER A 782 -3.263 -9.499 -4.883 1.00 0.00 C ATOM 629 OG SER A 782 -3.380 -10.396 -5.974 1.00 0.00 O ATOM 0 H SER A 782 -1.606 -10.264 -2.970 1.00 0.00 H new ATOM 0 HA SER A 782 -1.306 -9.042 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.635 -9.975 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.885 -8.622 -5.061 1.00 0.00 H new ATOM 0 HG SER A 782 -4.318 -10.659 -6.083 1.00 0.00 H new ATOM 635 N ASP A 783 -0.841 -6.848 -4.564 1.00 0.00 N ATOM 636 CA ASP A 783 -0.692 -5.483 -4.072 1.00 0.00 C ATOM 637 C ASP A 783 -2.034 -4.758 -4.067 1.00 0.00 C ATOM 638 O ASP A 783 -2.414 -4.138 -3.073 1.00 0.00 O ATOM 639 CB ASP A 783 0.313 -4.715 -4.932 1.00 0.00 C ATOM 640 CG ASP A 783 0.218 -5.082 -6.400 1.00 0.00 C ATOM 641 OD1 ASP A 783 0.549 -6.236 -6.746 1.00 0.00 O ATOM 642 OD2 ASP A 783 -0.186 -4.216 -7.204 1.00 0.00 O ATOM 0 H ASP A 783 -0.185 -7.104 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.321 -5.531 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.143 -3.645 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.323 -4.918 -4.574 1.00 0.00 H new ATOM 647 N THR A 784 -2.749 -4.838 -5.185 1.00 0.00 N ATOM 648 CA THR A 784 -4.048 -4.188 -5.310 1.00 0.00 C ATOM 649 C THR A 784 -5.181 -5.158 -4.995 1.00 0.00 C ATOM 650 O THR A 784 -5.175 -6.303 -5.447 1.00 0.00 O ATOM 651 CB THR A 784 -4.255 -3.617 -6.725 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.225 -2.669 -7.027 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.617 -2.949 -6.845 1.00 0.00 C ATOM 0 H THR A 784 -2.450 -5.347 -6.017 1.00 0.00 H new ATOM 0 HA THR A 784 -4.063 -3.370 -4.590 1.00 0.00 H new ATOM 0 HB THR A 784 -4.208 -4.442 -7.436 1.00 0.00 H new ATOM 0 HG1 THR A 784 -3.363 -2.312 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.741 -2.553 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.400 -3.680 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.687 -2.134 -6.124 1.00 0.00 H new ATOM 661 N LEU A 785 -6.151 -4.693 -4.216 1.00 0.00 N ATOM 662 CA LEU A 785 -7.293 -5.519 -3.841 1.00 0.00 C ATOM 663 C LEU A 785 -8.603 -4.867 -4.272 1.00 0.00 C ATOM 664 O LEU A 785 -8.906 -3.740 -3.881 1.00 0.00 O ATOM 665 CB LEU A 785 -7.301 -5.756 -2.329 1.00 0.00 C ATOM 666 CG LEU A 785 -6.245 -6.724 -1.796 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.847 -6.207 -2.095 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.427 -6.941 -0.301 1.00 0.00 C ATOM 0 H LEU A 785 -6.170 -3.748 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.201 -6.477 -4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -7.170 -4.796 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.285 -6.131 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.371 -7.682 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -4.109 -6.909 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.720 -6.104 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.709 -5.236 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.667 -7.633 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -6.329 -5.988 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.416 -7.357 -0.112 1.00 0.00 H new ATOM 680 N THR A 786 -9.378 -5.585 -5.079 1.00 0.00 N ATOM 681 CA THR A 786 -10.656 -5.078 -5.562 1.00 0.00 C ATOM 682 C THR A 786 -11.821 -5.823 -4.921 1.00 0.00 C ATOM 683 O THR A 786 -11.702 -6.995 -4.566 1.00 0.00 O ATOM 684 CB THR A 786 -10.765 -5.198 -7.094 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.557 -4.736 -7.709 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.945 -4.394 -7.617 1.00 0.00 C ATOM 0 H THR A 786 -9.142 -6.520 -5.412 1.00 0.00 H new ATOM 0 HA THR A 786 -10.704 -4.025 -5.283 1.00 0.00 H new ATOM 0 HB THR A 786 -10.921 -6.247 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.634 -4.817 -8.683 1.00 0.00 H new ATOM 0 HG21 THR A 786 -12.002 -4.494 -8.701 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.866 -4.767 -7.170 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.814 -3.344 -7.356 1.00 0.00 H new ATOM 694 N CYS A 787 -12.949 -5.135 -4.777 1.00 0.00 N ATOM 695 CA CYS A 787 -14.137 -5.731 -4.179 1.00 0.00 C ATOM 696 C CYS A 787 -15.071 -6.279 -5.255 1.00 0.00 C ATOM 697 O CYS A 787 -15.539 -5.540 -6.119 1.00 0.00 O ATOM 698 CB CYS A 787 -14.877 -4.699 -3.325 1.00 0.00 C ATOM 699 SG CYS A 787 -16.013 -5.424 -2.100 1.00 0.00 S ATOM 0 H CYS A 787 -13.065 -4.164 -5.067 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.817 -6.557 -3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -14.145 -4.082 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.442 -4.038 -3.982 1.00 0.00 H new ATOM 704 N GLN A 788 -15.336 -7.580 -5.193 1.00 0.00 N ATOM 705 CA GLN A 788 -16.213 -8.228 -6.161 1.00 0.00 C ATOM 706 C GLN A 788 -17.678 -8.024 -5.791 1.00 0.00 C ATOM 707 O GLN A 788 -17.993 -7.333 -4.822 1.00 0.00 O ATOM 708 CB GLN A 788 -15.898 -9.722 -6.246 1.00 0.00 C ATOM 709 CG GLN A 788 -14.457 -10.020 -6.628 1.00 0.00 C ATOM 710 CD GLN A 788 -14.237 -11.478 -6.981 1.00 0.00 C ATOM 711 OE1 GLN A 788 -15.000 -12.351 -6.567 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.188 -11.749 -7.749 1.00 0.00 N ATOM 0 H GLN A 788 -14.956 -8.206 -4.483 1.00 0.00 H new ATOM 0 HA GLN A 788 -16.037 -7.772 -7.135 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -16.113 -10.185 -5.283 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.562 -10.184 -6.977 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.174 -9.398 -7.477 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.802 -9.747 -5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -12.582 -10.994 -8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -12.988 -12.712 -8.018 1.00 0.00 H new ATOM 721 N TRP A 789 -18.569 -8.630 -6.567 1.00 0.00 N ATOM 722 CA TRP A 789 -20.002 -8.514 -6.320 1.00 0.00 C ATOM 723 C TRP A 789 -20.393 -9.240 -5.038 1.00 0.00 C ATOM 724 O TRP A 789 -21.472 -9.013 -4.490 1.00 0.00 O ATOM 725 CB TRP A 789 -20.791 -9.079 -7.502 1.00 0.00 C ATOM 726 CG TRP A 789 -20.221 -8.696 -8.835 1.00 0.00 C ATOM 727 CD1 TRP A 789 -19.680 -9.536 -9.766 1.00 0.00 C ATOM 728 CD2 TRP A 789 -20.135 -7.376 -9.382 1.00 0.00 C ATOM 729 NE1 TRP A 789 -19.262 -8.817 -10.860 1.00 0.00 N ATOM 730 CE2 TRP A 789 -19.531 -7.490 -10.650 1.00 0.00 C ATOM 731 CE3 TRP A 789 -20.511 -6.110 -8.927 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -19.294 -6.385 -11.463 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -20.275 -5.014 -9.735 1.00 0.00 C ATOM 734 CH2 TRP A 789 -19.672 -5.157 -10.992 1.00 0.00 C ATOM 0 H TRP A 789 -18.325 -9.207 -7.372 1.00 0.00 H new ATOM 0 HA TRP A 789 -20.242 -7.457 -6.204 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -20.818 -10.166 -7.425 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -21.822 -8.730 -7.442 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -19.593 -10.607 -9.658 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -18.823 -9.208 -11.693 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -20.978 -5.990 -7.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -18.828 -6.493 -12.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -20.560 -4.030 -9.392 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -19.502 -4.281 -11.601 1.00 0.00 H new ATOM 745 N ASP A 790 -19.511 -10.114 -4.565 1.00 0.00 N ATOM 746 CA ASP A 790 -19.765 -10.872 -3.346 1.00 0.00 C ATOM 747 C ASP A 790 -19.145 -10.179 -2.136 1.00 0.00 C ATOM 748 O ASP A 790 -18.985 -10.784 -1.075 1.00 0.00 O ATOM 749 CB ASP A 790 -19.208 -12.291 -3.477 1.00 0.00 C ATOM 750 CG ASP A 790 -19.919 -13.095 -4.548 1.00 0.00 C ATOM 751 OD1 ASP A 790 -19.920 -12.655 -5.717 1.00 0.00 O ATOM 752 OD2 ASP A 790 -20.473 -14.164 -4.218 1.00 0.00 O ATOM 0 H ASP A 790 -18.614 -10.315 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 790 -20.844 -10.925 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.144 -12.241 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -19.300 -12.804 -2.520 1.00 0.00 H new ATOM 757 N LEU A 791 -18.797 -8.908 -2.303 1.00 0.00 N ATOM 758 CA LEU A 791 -18.194 -8.133 -1.225 1.00 0.00 C ATOM 759 C LEU A 791 -16.965 -8.843 -0.664 1.00 0.00 C ATOM 760 O LEU A 791 -16.587 -8.633 0.488 1.00 0.00 O ATOM 761 CB LEU A 791 -19.212 -7.894 -0.109 1.00 0.00 C ATOM 762 CG LEU A 791 -20.473 -7.125 -0.505 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.503 -7.177 0.613 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.132 -5.683 -0.851 1.00 0.00 C ATOM 0 H LEU A 791 -18.922 -8.393 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 791 -17.881 -7.172 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.512 -8.861 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -18.717 -7.351 0.697 1.00 0.00 H new ATOM 0 HG LEU A 791 -20.901 -7.598 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.393 -6.624 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -21.770 -8.215 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.084 -6.729 1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.041 -5.151 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -19.679 -5.198 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.430 -5.665 -1.685 1.00 0.00 H new ATOM 776 N SER A 792 -16.346 -9.682 -1.488 1.00 0.00 N ATOM 777 CA SER A 792 -15.161 -10.424 -1.074 1.00 0.00 C ATOM 778 C SER A 792 -13.942 -10.000 -1.888 1.00 0.00 C ATOM 779 O SER A 792 -13.996 -9.930 -3.116 1.00 0.00 O ATOM 780 CB SER A 792 -15.395 -11.928 -1.231 1.00 0.00 C ATOM 781 OG SER A 792 -16.523 -12.349 -0.485 1.00 0.00 O ATOM 0 H SER A 792 -16.645 -9.865 -2.446 1.00 0.00 H new ATOM 0 HA SER A 792 -14.971 -10.200 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.541 -12.168 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 792 -14.511 -12.473 -0.899 1.00 0.00 H new ATOM 0 HG SER A 792 -17.327 -11.910 -0.832 1.00 0.00 H new ATOM 787 N TRP A 793 -12.845 -9.718 -1.195 1.00 0.00 N ATOM 788 CA TRP A 793 -11.612 -9.300 -1.853 1.00 0.00 C ATOM 789 C TRP A 793 -11.077 -10.404 -2.758 1.00 0.00 C ATOM 790 O TRP A 793 -11.083 -11.579 -2.390 1.00 0.00 O ATOM 791 CB TRP A 793 -10.558 -8.921 -0.812 1.00 0.00 C ATOM 792 CG TRP A 793 -10.898 -7.678 -0.047 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.166 -7.585 1.289 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.008 -6.351 -0.573 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.436 -6.281 1.625 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.345 -5.504 0.500 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.853 -5.796 -1.846 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.530 -4.134 0.337 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -11.038 -4.436 -2.007 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.372 -3.617 -0.920 1.00 0.00 C ATOM 0 H TRP A 793 -12.784 -9.771 -0.178 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.835 -8.428 -2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.436 -9.748 -0.112 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.599 -8.781 -1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.166 -8.415 1.980 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -11.667 -5.945 2.560 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.593 -6.419 -2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -11.789 -3.501 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.923 -3.997 -2.987 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.507 -2.557 -1.077 1.00 0.00 H new ATOM 811 N SER A 794 -10.615 -10.019 -3.944 1.00 0.00 N ATOM 812 CA SER A 794 -10.080 -10.978 -4.903 1.00 0.00 C ATOM 813 C SER A 794 -9.287 -12.072 -4.194 1.00 0.00 C ATOM 814 O SER A 794 -9.465 -13.259 -4.467 1.00 0.00 O ATOM 815 CB SER A 794 -9.188 -10.267 -5.923 1.00 0.00 C ATOM 816 OG SER A 794 -8.895 -11.113 -7.022 1.00 0.00 O ATOM 0 H SER A 794 -10.601 -9.050 -4.263 1.00 0.00 H new ATOM 0 HA SER A 794 -10.919 -11.440 -5.423 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.684 -9.364 -6.278 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.260 -9.954 -5.444 1.00 0.00 H new ATOM 0 HG SER A 794 -8.325 -10.635 -7.660 1.00 0.00 H new ATOM 822 N SER A 795 -8.412 -11.662 -3.281 1.00 0.00 N ATOM 823 CA SER A 795 -7.589 -12.606 -2.534 1.00 0.00 C ATOM 824 C SER A 795 -7.123 -11.996 -1.216 1.00 0.00 C ATOM 825 O SER A 795 -7.153 -10.778 -1.038 1.00 0.00 O ATOM 826 CB SER A 795 -6.379 -13.031 -3.368 1.00 0.00 C ATOM 827 OG SER A 795 -6.784 -13.693 -4.554 1.00 0.00 O ATOM 0 H SER A 795 -8.255 -10.683 -3.041 1.00 0.00 H new ATOM 0 HA SER A 795 -8.196 -13.484 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 795 -5.783 -12.155 -3.622 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.741 -13.690 -2.779 1.00 0.00 H new ATOM 0 HG SER A 795 -5.993 -13.953 -5.070 1.00 0.00 H new ATOM 833 N ASP A 796 -6.693 -12.850 -0.295 1.00 0.00 N ATOM 834 CA ASP A 796 -6.219 -12.397 1.008 1.00 0.00 C ATOM 835 C ASP A 796 -5.261 -11.219 0.858 1.00 0.00 C ATOM 836 O ASP A 796 -4.672 -10.997 -0.201 1.00 0.00 O ATOM 837 CB ASP A 796 -5.527 -13.541 1.750 1.00 0.00 C ATOM 838 CG ASP A 796 -6.494 -14.356 2.587 1.00 0.00 C ATOM 839 OD1 ASP A 796 -7.403 -13.755 3.197 1.00 0.00 O ATOM 840 OD2 ASP A 796 -6.341 -15.595 2.634 1.00 0.00 O ATOM 0 H ASP A 796 -6.663 -13.861 -0.426 1.00 0.00 H new ATOM 0 HA ASP A 796 -7.083 -12.069 1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -5.036 -14.194 1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -4.747 -13.134 2.394 1.00 0.00 H new ATOM 845 N PRO A 797 -5.100 -10.445 1.941 1.00 0.00 N ATOM 846 CA PRO A 797 -4.215 -9.276 1.954 1.00 0.00 C ATOM 847 C PRO A 797 -2.742 -9.665 1.893 1.00 0.00 C ATOM 848 O PRO A 797 -2.305 -10.637 2.509 1.00 0.00 O ATOM 849 CB PRO A 797 -4.535 -8.604 3.291 1.00 0.00 C ATOM 850 CG PRO A 797 -5.049 -9.704 4.155 1.00 0.00 C ATOM 851 CD PRO A 797 -5.770 -10.650 3.236 1.00 0.00 C ATOM 0 HA PRO A 797 -4.376 -8.633 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.648 -8.142 3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.278 -7.816 3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.232 -10.208 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.720 -9.317 4.921 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.684 -11.683 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.834 -10.421 3.178 1.00 0.00 H new ATOM 859 N PRO A 798 -1.955 -8.888 1.132 1.00 0.00 N ATOM 860 CA PRO A 798 -0.518 -9.131 0.974 1.00 0.00 C ATOM 861 C PRO A 798 0.263 -8.841 2.250 1.00 0.00 C ATOM 862 O PRO A 798 -0.321 -8.631 3.313 1.00 0.00 O ATOM 863 CB PRO A 798 -0.114 -8.156 -0.135 1.00 0.00 C ATOM 864 CG PRO A 798 -1.124 -7.063 -0.064 1.00 0.00 C ATOM 865 CD PRO A 798 -2.408 -7.713 0.370 1.00 0.00 C ATOM 0 HA PRO A 798 -0.304 -10.174 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 798 0.895 -7.774 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 798 -0.123 -8.641 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.817 -6.294 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -1.241 -6.576 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -3.010 -7.043 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -3.022 -8.000 -0.484 1.00 0.00 H new ATOM 873 N PHE A 799 1.587 -8.831 2.138 1.00 0.00 N ATOM 874 CA PHE A 799 2.449 -8.567 3.285 1.00 0.00 C ATOM 875 C PHE A 799 3.833 -8.112 2.831 1.00 0.00 C ATOM 876 O PHE A 799 4.182 -8.223 1.655 1.00 0.00 O ATOM 877 CB PHE A 799 2.572 -9.819 4.156 1.00 0.00 C ATOM 878 CG PHE A 799 2.693 -11.090 3.366 1.00 0.00 C ATOM 879 CD1 PHE A 799 1.565 -11.718 2.863 1.00 0.00 C ATOM 880 CD2 PHE A 799 3.934 -11.657 3.126 1.00 0.00 C ATOM 881 CE1 PHE A 799 1.672 -12.888 2.135 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.048 -12.827 2.398 1.00 0.00 C ATOM 883 CZ PHE A 799 2.915 -13.444 1.903 1.00 0.00 C ATOM 0 H PHE A 799 2.087 -9.002 1.265 1.00 0.00 H new ATOM 0 HA PHE A 799 1.997 -7.767 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.444 -9.718 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.700 -9.887 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 799 0.591 -11.288 3.042 1.00 0.00 H new ATOM 0 HD2 PHE A 799 4.823 -11.180 3.512 1.00 0.00 H new ATOM 0 HE1 PHE A 799 0.785 -13.367 1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.021 -13.258 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.001 -14.359 1.336 1.00 0.00 H new ATOM 893 N CYS A 800 4.618 -7.597 3.771 1.00 0.00 N ATOM 894 CA CYS A 800 5.963 -7.123 3.471 1.00 0.00 C ATOM 895 C CYS A 800 7.012 -8.123 3.949 1.00 0.00 C ATOM 896 O CYS A 800 6.896 -8.687 5.036 1.00 0.00 O ATOM 897 CB CYS A 800 6.205 -5.761 4.125 1.00 0.00 C ATOM 898 SG CYS A 800 4.740 -4.679 4.152 1.00 0.00 S ATOM 0 H CYS A 800 4.345 -7.497 4.749 1.00 0.00 H new ATOM 0 HA CYS A 800 6.051 -7.020 2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.547 -5.917 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.009 -5.252 3.594 1.00 0.00 H new ATOM 903 N GLU A 801 8.036 -8.337 3.128 1.00 0.00 N ATOM 904 CA GLU A 801 9.104 -9.269 3.467 1.00 0.00 C ATOM 905 C GLU A 801 10.460 -8.729 3.020 1.00 0.00 C ATOM 906 O GLU A 801 10.730 -8.607 1.825 1.00 0.00 O ATOM 907 CB GLU A 801 8.848 -10.631 2.819 1.00 0.00 C ATOM 908 CG GLU A 801 9.708 -11.747 3.387 1.00 0.00 C ATOM 909 CD GLU A 801 9.613 -11.846 4.897 1.00 0.00 C ATOM 910 OE1 GLU A 801 8.479 -11.873 5.420 1.00 0.00 O ATOM 911 OE2 GLU A 801 10.673 -11.897 5.556 1.00 0.00 O ATOM 0 H GLU A 801 8.148 -7.878 2.224 1.00 0.00 H new ATOM 0 HA GLU A 801 9.117 -9.387 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.798 -10.893 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.030 -10.554 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 801 9.404 -12.696 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 801 10.747 -11.581 3.102 1.00 0.00 H new ATOM 918 N LYS A 802 11.309 -8.405 3.989 1.00 0.00 N ATOM 919 CA LYS A 802 12.637 -7.878 3.699 1.00 0.00 C ATOM 920 C LYS A 802 13.312 -8.682 2.592 1.00 0.00 C ATOM 921 O LYS A 802 13.320 -9.913 2.621 1.00 0.00 O ATOM 922 CB LYS A 802 13.504 -7.899 4.960 1.00 0.00 C ATOM 923 CG LYS A 802 14.729 -7.006 4.871 1.00 0.00 C ATOM 924 CD LYS A 802 15.145 -6.492 6.239 1.00 0.00 C ATOM 925 CE LYS A 802 16.639 -6.215 6.300 1.00 0.00 C ATOM 926 NZ LYS A 802 17.106 -5.993 7.697 1.00 0.00 N ATOM 0 H LYS A 802 11.101 -8.498 4.983 1.00 0.00 H new ATOM 0 HA LYS A 802 12.525 -6.848 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 802 12.899 -7.588 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.824 -8.923 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.553 -7.561 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.519 -6.163 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 802 14.595 -5.579 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 802 14.878 -7.225 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.182 -7.054 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 802 16.871 -5.338 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 18.129 -5.808 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 16.607 -5.177 8.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 16.908 -6.840 8.268 1.00 0.00 H new