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 X(o=0,f=0) USER MOD Single : A 756 LYS NZ :NH3+ -122:sc= 1.11 (180deg=-0.157) 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= -1.74! USER MOD Single : A 772 GLN : amide:sc= -0.43 K(o=-0.43,f=-5!) USER MOD Single : A 777 TYR OH : rot 180:sc= 0 USER MOD Single : A 782 SER OG : rot -102:sc= 0.147 USER MOD Single : A 784 THR OG1 : rot 79:sc= 1.14 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 63:sc= 0.504 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot -1:sc= 1.17 USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.839 -3.606 1.332 1.00 0.00 N ATOM 60 CA GLY A 744 -19.419 -3.335 1.208 1.00 0.00 C ATOM 61 C GLY A 744 -18.563 -4.445 1.786 1.00 0.00 C ATOM 62 O GLY A 744 -18.982 -5.147 2.706 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.169 -3.198 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -19.185 -2.399 1.715 1.00 0.00 H new ATOM 66 N CYS A 745 -17.361 -4.606 1.244 1.00 0.00 N ATOM 67 CA CYS A 745 -16.444 -5.640 1.709 1.00 0.00 C ATOM 68 C CYS A 745 -16.113 -5.448 3.186 1.00 0.00 C ATOM 69 O CYS A 745 -16.189 -4.337 3.711 1.00 0.00 O ATOM 70 CB CYS A 745 -15.158 -5.621 0.880 1.00 0.00 C ATOM 71 SG CYS A 745 -15.216 -6.673 -0.606 1.00 0.00 S ATOM 0 H CYS A 745 -16.999 -4.033 0.482 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.933 -6.607 1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.948 -4.595 0.578 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.328 -5.944 1.509 1.00 0.00 H new ATOM 76 N SER A 746 -15.744 -6.539 3.851 1.00 0.00 N ATOM 77 CA SER A 746 -15.405 -6.493 5.268 1.00 0.00 C ATOM 78 C SER A 746 -14.072 -5.782 5.484 1.00 0.00 C ATOM 79 O SER A 746 -13.133 -5.951 4.706 1.00 0.00 O ATOM 80 CB SER A 746 -15.340 -7.908 5.845 1.00 0.00 C ATOM 81 OG SER A 746 -14.343 -8.678 5.197 1.00 0.00 O ATOM 0 H SER A 746 -15.672 -7.465 3.430 1.00 0.00 H new ATOM 0 HA SER A 746 -16.184 -5.933 5.785 1.00 0.00 H new ATOM 0 HB2 SER A 746 -15.129 -7.859 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 746 -16.309 -8.394 5.734 1.00 0.00 H new ATOM 0 HG SER A 746 -14.321 -9.578 5.585 1.00 0.00 H new ATOM 87 N ASP A 747 -13.998 -4.987 6.546 1.00 0.00 N ATOM 88 CA ASP A 747 -12.781 -4.251 6.866 1.00 0.00 C ATOM 89 C ASP A 747 -11.556 -5.154 6.761 1.00 0.00 C ATOM 90 O ASP A 747 -11.616 -6.340 7.086 1.00 0.00 O ATOM 91 CB ASP A 747 -12.874 -3.658 8.273 1.00 0.00 C ATOM 92 CG ASP A 747 -13.492 -4.620 9.268 1.00 0.00 C ATOM 93 OD1 ASP A 747 -12.865 -5.662 9.554 1.00 0.00 O ATOM 94 OD2 ASP A 747 -14.603 -4.332 9.760 1.00 0.00 O ATOM 0 H ASP A 747 -14.766 -4.836 7.200 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.675 -3.441 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -11.877 -3.379 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.467 -2.744 8.240 1.00 0.00 H new ATOM 99 N LEU A 748 -10.446 -4.585 6.305 1.00 0.00 N ATOM 100 CA LEU A 748 -9.206 -5.339 6.156 1.00 0.00 C ATOM 101 C LEU A 748 -8.349 -5.232 7.414 1.00 0.00 C ATOM 102 O LEU A 748 -8.312 -4.200 8.083 1.00 0.00 O ATOM 103 CB LEU A 748 -8.420 -4.831 4.945 1.00 0.00 C ATOM 104 CG LEU A 748 -9.054 -5.088 3.578 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.473 -4.145 2.535 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.852 -6.537 3.160 1.00 0.00 C ATOM 0 H LEU A 748 -10.379 -3.604 6.032 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.463 -6.387 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -8.271 -3.757 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.433 -5.293 4.958 1.00 0.00 H new ATOM 0 HG LEU A 748 -10.125 -4.899 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -8.936 -4.342 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -8.669 -3.113 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.397 -4.303 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -9.310 -6.702 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.785 -6.753 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -9.316 -7.196 3.894 1.00 0.00 H new ATOM 118 N PRO A 749 -7.642 -6.324 7.742 1.00 0.00 N ATOM 119 CA PRO A 749 -6.770 -6.377 8.920 1.00 0.00 C ATOM 120 C PRO A 749 -5.532 -5.501 8.764 1.00 0.00 C ATOM 121 O PRO A 749 -5.114 -5.196 7.648 1.00 0.00 O ATOM 122 CB PRO A 749 -6.375 -7.853 9.001 1.00 0.00 C ATOM 123 CG PRO A 749 -6.502 -8.358 7.605 1.00 0.00 C ATOM 124 CD PRO A 749 -7.639 -7.589 6.990 1.00 0.00 C ATOM 0 HA PRO A 749 -7.269 -6.006 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.357 -7.970 9.373 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -7.028 -8.401 9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.578 -8.202 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.704 -9.429 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.481 -7.422 5.924 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.585 -8.120 7.093 1.00 0.00 H new ATOM 132 N GLU A 750 -4.950 -5.102 9.891 1.00 0.00 N ATOM 133 CA GLU A 750 -3.759 -4.261 9.878 1.00 0.00 C ATOM 134 C GLU A 750 -2.568 -5.013 9.289 1.00 0.00 C ATOM 135 O GLU A 750 -2.448 -6.228 9.449 1.00 0.00 O ATOM 136 CB GLU A 750 -3.427 -3.787 11.294 1.00 0.00 C ATOM 137 CG GLU A 750 -3.085 -4.918 12.250 1.00 0.00 C ATOM 138 CD GLU A 750 -3.168 -4.497 13.705 1.00 0.00 C ATOM 139 OE1 GLU A 750 -4.297 -4.396 14.229 1.00 0.00 O ATOM 140 OE2 GLU A 750 -2.105 -4.268 14.318 1.00 0.00 O ATOM 0 H GLU A 750 -5.284 -5.347 10.823 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.965 -3.393 9.251 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.587 -3.094 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -4.277 -3.232 11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -3.765 -5.752 12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -2.078 -5.277 12.036 1.00 0.00 H new ATOM 147 N ILE A 751 -1.692 -4.282 8.609 1.00 0.00 N ATOM 148 CA ILE A 751 -0.512 -4.878 7.997 1.00 0.00 C ATOM 149 C ILE A 751 0.738 -4.599 8.825 1.00 0.00 C ATOM 150 O ILE A 751 0.834 -3.569 9.491 1.00 0.00 O ATOM 151 CB ILE A 751 -0.293 -4.353 6.565 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.106 -4.726 6.070 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.494 -2.846 6.518 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.227 -4.748 4.563 1.00 0.00 C ATOM 0 H ILE A 751 -1.777 -3.275 8.468 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.687 -5.953 7.958 1.00 0.00 H new ATOM 0 HB ILE A 751 -1.026 -4.818 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.827 -4.015 6.474 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.372 -5.708 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.336 -2.489 5.500 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.509 -2.604 6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.219 -2.363 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.245 -5.020 4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.530 -5.479 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 751 0.993 -3.761 4.165 1.00 0.00 H new ATOM 166 N GLN A 752 1.692 -5.522 8.776 1.00 0.00 N ATOM 167 CA GLN A 752 2.937 -5.374 9.522 1.00 0.00 C ATOM 168 C GLN A 752 3.995 -4.669 8.680 1.00 0.00 C ATOM 169 O GLN A 752 4.099 -4.900 7.476 1.00 0.00 O ATOM 170 CB GLN A 752 3.453 -6.742 9.971 1.00 0.00 C ATOM 171 CG GLN A 752 2.557 -7.426 10.991 1.00 0.00 C ATOM 172 CD GLN A 752 2.851 -8.907 11.126 1.00 0.00 C ATOM 173 OE1 GLN A 752 3.774 -9.306 11.837 1.00 0.00 O ATOM 174 NE2 GLN A 752 2.065 -9.731 10.444 1.00 0.00 N ATOM 0 H GLN A 752 1.628 -6.380 8.228 1.00 0.00 H new ATOM 0 HA GLN A 752 2.734 -4.764 10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 752 3.554 -7.387 9.098 1.00 0.00 H new ATOM 0 HB3 GLN A 752 4.449 -6.623 10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 752 2.683 -6.945 11.961 1.00 0.00 H new ATOM 0 HG3 GLN A 752 1.515 -7.291 10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 752 1.312 -9.357 9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 752 2.214 -10.739 10.497 1.00 0.00 H new ATOM 183 N ASN A 753 4.778 -3.809 9.322 1.00 0.00 N ATOM 184 CA ASN A 753 5.829 -3.069 8.631 1.00 0.00 C ATOM 185 C ASN A 753 5.309 -2.479 7.324 1.00 0.00 C ATOM 186 O ASN A 753 5.926 -2.636 6.271 1.00 0.00 O ATOM 187 CB ASN A 753 7.025 -3.982 8.352 1.00 0.00 C ATOM 188 CG ASN A 753 7.906 -4.170 9.572 1.00 0.00 C ATOM 189 OD1 ASN A 753 8.599 -3.246 9.999 1.00 0.00 O ATOM 190 ND2 ASN A 753 7.883 -5.370 10.139 1.00 0.00 N ATOM 0 H ASN A 753 4.705 -3.607 10.319 1.00 0.00 H new ATOM 0 HA ASN A 753 6.148 -2.251 9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.666 -4.954 8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.618 -3.561 7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 753 8.455 -5.556 10.963 1.00 0.00 H new ATOM 0 HD22 ASN A 753 7.293 -6.106 9.751 1.00 0.00 H new ATOM 197 N GLY A 754 4.169 -1.798 7.400 1.00 0.00 N ATOM 198 CA GLY A 754 3.586 -1.194 6.216 1.00 0.00 C ATOM 199 C GLY A 754 2.264 -0.510 6.506 1.00 0.00 C ATOM 200 O GLY A 754 1.853 -0.405 7.661 1.00 0.00 O ATOM 0 H GLY A 754 3.639 -1.654 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.284 -0.467 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.436 -1.961 5.457 1.00 0.00 H new ATOM 204 N TRP A 755 1.599 -0.044 5.455 1.00 0.00 N ATOM 205 CA TRP A 755 0.317 0.635 5.603 1.00 0.00 C ATOM 206 C TRP A 755 -0.509 0.522 4.326 1.00 0.00 C ATOM 207 O TRP A 755 -0.091 -0.113 3.358 1.00 0.00 O ATOM 208 CB TRP A 755 0.534 2.108 5.956 1.00 0.00 C ATOM 209 CG TRP A 755 1.120 2.908 4.832 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.459 3.398 3.743 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.487 3.309 4.688 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.332 4.079 2.930 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.582 4.040 3.488 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.639 3.123 5.457 1.00 0.00 C ATOM 215 CZ2 TRP A 755 3.784 4.582 3.040 1.00 0.00 C ATOM 216 CZ3 TRP A 755 4.831 3.662 5.011 1.00 0.00 C ATOM 217 CH2 TRP A 755 4.896 4.385 3.813 1.00 0.00 C ATOM 0 H TRP A 755 1.926 -0.124 4.492 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.231 0.152 6.412 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.419 2.549 6.248 1.00 0.00 H new ATOM 0 HB3 TRP A 755 1.193 2.174 6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.596 3.269 3.549 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.089 4.539 2.053 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.599 2.568 6.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 3.837 5.138 2.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.728 3.523 5.596 1.00 0.00 H new ATOM 0 HH2 TRP A 755 5.842 4.795 3.493 1.00 0.00 H new ATOM 228 N LYS A 756 -1.684 1.142 4.330 1.00 0.00 N ATOM 229 CA LYS A 756 -2.569 1.113 3.172 1.00 0.00 C ATOM 230 C LYS A 756 -3.201 2.481 2.935 1.00 0.00 C ATOM 231 O LYS A 756 -3.157 3.355 3.801 1.00 0.00 O ATOM 232 CB LYS A 756 -3.664 0.061 3.367 1.00 0.00 C ATOM 233 CG LYS A 756 -4.584 0.352 4.540 1.00 0.00 C ATOM 234 CD LYS A 756 -5.778 1.192 4.118 1.00 0.00 C ATOM 235 CE LYS A 756 -6.287 2.053 5.264 1.00 0.00 C ATOM 236 NZ LYS A 756 -5.422 3.244 5.490 1.00 0.00 N ATOM 0 H LYS A 756 -2.046 1.671 5.123 1.00 0.00 H new ATOM 0 HA LYS A 756 -1.973 0.851 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.260 -0.005 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.198 -0.913 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -4.933 -0.586 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -4.028 0.874 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -5.498 1.829 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -6.578 0.539 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.305 2.379 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -6.329 1.457 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -5.066 3.234 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -4.620 3.221 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -5.976 4.110 5.332 1.00 0.00 H new ATOM 250 N THR A 757 -3.789 2.660 1.756 1.00 0.00 N ATOM 251 CA THR A 757 -4.429 3.921 1.405 1.00 0.00 C ATOM 252 C THR A 757 -5.309 3.766 0.170 1.00 0.00 C ATOM 253 O THR A 757 -4.996 2.992 -0.735 1.00 0.00 O ATOM 254 CB THR A 757 -3.388 5.027 1.145 1.00 0.00 C ATOM 255 OG1 THR A 757 -4.049 6.264 0.860 1.00 0.00 O ATOM 256 CG2 THR A 757 -2.480 4.652 -0.016 1.00 0.00 C ATOM 0 H THR A 757 -3.835 1.947 1.028 1.00 0.00 H new ATOM 0 HA THR A 757 -5.048 4.208 2.255 1.00 0.00 H new ATOM 0 HB THR A 757 -2.778 5.140 2.041 1.00 0.00 H new ATOM 0 HG1 THR A 757 -3.381 6.962 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 757 -1.753 5.447 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 757 -1.956 3.725 0.216 1.00 0.00 H new ATOM 0 HG23 THR A 757 -3.079 4.515 -0.916 1.00 0.00 H new ATOM 335 N LEU A 763 -15.339 1.649 1.638 1.00 0.00 N ATOM 336 CA LEU A 763 -15.252 0.301 1.086 1.00 0.00 C ATOM 337 C LEU A 763 -16.589 -0.134 0.496 1.00 0.00 C ATOM 338 O LEU A 763 -17.498 -0.540 1.222 1.00 0.00 O ATOM 339 CB LEU A 763 -14.814 -0.687 2.169 1.00 0.00 C ATOM 340 CG LEU A 763 -13.493 -0.371 2.871 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.330 -1.232 4.115 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.322 -0.576 1.921 1.00 0.00 C ATOM 0 HA LEU A 763 -14.510 0.309 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.599 -0.740 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.736 -1.677 1.719 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.508 0.675 3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -12.384 -0.993 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.152 -1.036 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -13.337 -2.285 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.390 -0.346 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.304 -1.612 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.432 0.084 1.060 1.00 0.00 H new ATOM 354 N VAL A 764 -16.703 -0.048 -0.826 1.00 0.00 N ATOM 355 CA VAL A 764 -17.928 -0.436 -1.514 1.00 0.00 C ATOM 356 C VAL A 764 -17.626 -1.321 -2.718 1.00 0.00 C ATOM 357 O VAL A 764 -16.464 -1.584 -3.032 1.00 0.00 O ATOM 358 CB VAL A 764 -18.722 0.797 -1.984 1.00 0.00 C ATOM 359 CG1 VAL A 764 -19.141 1.648 -0.794 1.00 0.00 C ATOM 360 CG2 VAL A 764 -17.902 1.614 -2.971 1.00 0.00 C ATOM 0 H VAL A 764 -15.962 0.287 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.530 -0.995 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.624 0.455 -2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -19.701 2.515 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -19.768 1.057 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.254 1.983 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -18.478 2.481 -3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -16.982 1.947 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -17.657 0.999 -3.837 1.00 0.00 H new ATOM 370 N ARG A 765 -18.678 -1.777 -3.390 1.00 0.00 N ATOM 371 CA ARG A 765 -18.525 -2.633 -4.560 1.00 0.00 C ATOM 372 C ARG A 765 -17.582 -1.999 -5.578 1.00 0.00 C ATOM 373 O ARG A 765 -17.932 -1.020 -6.237 1.00 0.00 O ATOM 374 CB ARG A 765 -19.886 -2.900 -5.205 1.00 0.00 C ATOM 375 CG ARG A 765 -20.620 -4.090 -4.609 1.00 0.00 C ATOM 376 CD ARG A 765 -21.734 -4.573 -5.525 1.00 0.00 C ATOM 377 NE ARG A 765 -22.910 -3.709 -5.460 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.978 -3.863 -6.234 1.00 0.00 C ATOM 379 NH1 ARG A 765 -24.018 -4.842 -7.128 1.00 0.00 N ATOM 380 NH2 ARG A 765 -25.009 -3.036 -6.115 1.00 0.00 N ATOM 0 H ARG A 765 -19.646 -1.568 -3.144 1.00 0.00 H new ATOM 0 HA ARG A 765 -18.095 -3.579 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -20.508 -2.011 -5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -19.746 -3.068 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.915 -4.902 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -21.038 -3.814 -3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -21.369 -4.611 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -22.015 -5.589 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 765 -22.911 -2.946 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -23.227 -5.479 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.840 -4.958 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.981 -2.282 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -25.829 -3.155 -6.710 1.00 0.00 H new ATOM 394 N GLY A 766 -16.385 -2.563 -5.701 1.00 0.00 N ATOM 395 CA GLY A 766 -15.411 -2.039 -6.641 1.00 0.00 C ATOM 396 C GLY A 766 -14.324 -1.232 -5.959 1.00 0.00 C ATOM 397 O GLY A 766 -13.533 -0.560 -6.620 1.00 0.00 O ATOM 0 H GLY A 766 -16.072 -3.373 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.957 -2.865 -7.188 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.919 -1.412 -7.374 1.00 0.00 H new ATOM 401 N ALA A 767 -14.286 -1.296 -4.632 1.00 0.00 N ATOM 402 CA ALA A 767 -13.288 -0.565 -3.860 1.00 0.00 C ATOM 403 C ALA A 767 -11.885 -1.092 -4.138 1.00 0.00 C ATOM 404 O ALA A 767 -11.679 -2.299 -4.266 1.00 0.00 O ATOM 405 CB ALA A 767 -13.603 -0.652 -2.374 1.00 0.00 C ATOM 0 H ALA A 767 -14.935 -1.846 -4.069 1.00 0.00 H new ATOM 0 HA ALA A 767 -13.322 0.481 -4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.850 -0.102 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.586 -0.220 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.599 -1.696 -2.062 1.00 0.00 H new ATOM 411 N ARG A 768 -10.923 -0.180 -4.231 1.00 0.00 N ATOM 412 CA ARG A 768 -9.539 -0.554 -4.496 1.00 0.00 C ATOM 413 C ARG A 768 -8.595 0.110 -3.498 1.00 0.00 C ATOM 414 O ARG A 768 -8.526 1.337 -3.415 1.00 0.00 O ATOM 415 CB ARG A 768 -9.146 -0.163 -5.922 1.00 0.00 C ATOM 416 CG ARG A 768 -7.688 -0.438 -6.250 1.00 0.00 C ATOM 417 CD ARG A 768 -7.372 -0.112 -7.701 1.00 0.00 C ATOM 418 NE ARG A 768 -7.760 -1.193 -8.603 1.00 0.00 N ATOM 419 CZ ARG A 768 -7.544 -1.170 -9.913 1.00 0.00 C ATOM 420 NH1 ARG A 768 -6.946 -0.128 -10.472 1.00 0.00 N ATOM 421 NH2 ARG A 768 -7.927 -2.193 -10.668 1.00 0.00 N ATOM 0 H ARG A 768 -11.076 0.823 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.455 -1.635 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -9.776 -0.707 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -9.348 0.898 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -7.049 0.154 -5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -7.461 -1.486 -6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -7.890 0.803 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -6.304 0.081 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 768 -8.222 -2.010 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -6.650 0.660 -9.896 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -6.782 -0.114 -11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -8.387 -2.997 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -7.761 -2.175 -11.674 1.00 0.00 H new ATOM 435 N ILE A 769 -7.872 -0.708 -2.741 1.00 0.00 N ATOM 436 CA ILE A 769 -6.933 -0.200 -1.749 1.00 0.00 C ATOM 437 C ILE A 769 -5.501 -0.599 -2.092 1.00 0.00 C ATOM 438 O ILE A 769 -5.255 -1.686 -2.616 1.00 0.00 O ATOM 439 CB ILE A 769 -7.272 -0.714 -0.337 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.666 -0.242 0.080 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.227 -0.245 0.663 1.00 0.00 C ATOM 442 CD1 ILE A 769 -9.243 -1.014 1.246 1.00 0.00 C ATOM 0 H ILE A 769 -7.919 -1.725 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.018 0.887 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 769 -7.267 -1.804 -0.353 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.619 0.815 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.340 -0.329 -0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.481 -0.616 1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.248 -0.626 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.202 0.845 0.679 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -10.232 -0.625 1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -9.322 -2.068 0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.590 -0.906 2.112 1.00 0.00 H new ATOM 454 N THR A 770 -4.558 0.288 -1.791 1.00 0.00 N ATOM 455 CA THR A 770 -3.150 0.030 -2.067 1.00 0.00 C ATOM 456 C THR A 770 -2.368 -0.187 -0.777 1.00 0.00 C ATOM 457 O THR A 770 -2.641 0.452 0.241 1.00 0.00 O ATOM 458 CB THR A 770 -2.510 1.189 -2.854 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.328 1.529 -3.978 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.114 0.814 -3.330 1.00 0.00 C ATOM 0 H THR A 770 -4.744 1.192 -1.356 1.00 0.00 H new ATOM 0 HA THR A 770 -3.107 -0.876 -2.671 1.00 0.00 H new ATOM 0 HB THR A 770 -2.431 2.050 -2.190 1.00 0.00 H new ATOM 0 HG1 THR A 770 -2.915 2.268 -4.472 1.00 0.00 H new ATOM 0 HG21 THR A 770 -0.682 1.648 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.485 0.585 -2.469 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.173 -0.060 -3.979 1.00 0.00 H new ATOM 468 N TYR A 771 -1.395 -1.089 -0.825 1.00 0.00 N ATOM 469 CA TYR A 771 -0.574 -1.391 0.342 1.00 0.00 C ATOM 470 C TYR A 771 0.869 -0.946 0.122 1.00 0.00 C ATOM 471 O TYR A 771 1.526 -1.380 -0.824 1.00 0.00 O ATOM 472 CB TYR A 771 -0.616 -2.889 0.648 1.00 0.00 C ATOM 473 CG TYR A 771 -1.896 -3.334 1.318 1.00 0.00 C ATOM 474 CD1 TYR A 771 -3.048 -3.567 0.576 1.00 0.00 C ATOM 475 CD2 TYR A 771 -1.954 -3.523 2.694 1.00 0.00 C ATOM 476 CE1 TYR A 771 -4.220 -3.972 1.185 1.00 0.00 C ATOM 477 CE2 TYR A 771 -3.121 -3.930 3.310 1.00 0.00 C ATOM 478 CZ TYR A 771 -4.251 -4.153 2.552 1.00 0.00 C ATOM 479 OH TYR A 771 -5.416 -4.558 3.162 1.00 0.00 O ATOM 0 H TYR A 771 -1.155 -1.624 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 771 -0.980 -0.842 1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.490 -3.445 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.228 -3.144 1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -3.027 -3.429 -0.495 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -1.071 -3.349 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -5.107 -4.146 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -3.148 -4.073 4.380 1.00 0.00 H new ATOM 0 HH TYR A 771 -5.269 -4.639 4.127 1.00 0.00 H new ATOM 489 N GLN A 772 1.355 -0.078 1.004 1.00 0.00 N ATOM 490 CA GLN A 772 2.719 0.426 0.908 1.00 0.00 C ATOM 491 C GLN A 772 3.584 -0.124 2.037 1.00 0.00 C ATOM 492 O GLN A 772 3.153 -0.187 3.189 1.00 0.00 O ATOM 493 CB GLN A 772 2.724 1.955 0.943 1.00 0.00 C ATOM 494 CG GLN A 772 2.331 2.596 -0.378 1.00 0.00 C ATOM 495 CD GLN A 772 0.828 2.671 -0.566 1.00 0.00 C ATOM 496 OE1 GLN A 772 0.061 2.305 0.325 1.00 0.00 O ATOM 497 NE2 GLN A 772 0.400 3.148 -1.728 1.00 0.00 N ATOM 0 H GLN A 772 0.824 0.290 1.793 1.00 0.00 H new ATOM 0 HA GLN A 772 3.137 0.090 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 772 2.039 2.294 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 772 3.719 2.300 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 772 2.750 3.601 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 772 2.768 2.026 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 772 1.072 3.440 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 772 -0.601 3.223 -1.911 1.00 0.00 H new ATOM 506 N CYS A 773 4.806 -0.520 1.701 1.00 0.00 N ATOM 507 CA CYS A 773 5.732 -1.066 2.686 1.00 0.00 C ATOM 508 C CYS A 773 6.938 -0.148 2.866 1.00 0.00 C ATOM 509 O CYS A 773 7.112 0.818 2.123 1.00 0.00 O ATOM 510 CB CYS A 773 6.198 -2.460 2.262 1.00 0.00 C ATOM 511 SG CYS A 773 4.853 -3.679 2.110 1.00 0.00 S ATOM 0 H CYS A 773 5.179 -0.473 0.753 1.00 0.00 H new ATOM 0 HA CYS A 773 5.207 -1.140 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.714 -2.383 1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.925 -2.825 2.988 1.00 0.00 H new ATOM 516 N ASP A 774 7.767 -0.456 3.857 1.00 0.00 N ATOM 517 CA ASP A 774 8.957 0.340 4.135 1.00 0.00 C ATOM 518 C ASP A 774 9.936 0.279 2.966 1.00 0.00 C ATOM 519 O ASP A 774 9.952 -0.674 2.187 1.00 0.00 O ATOM 520 CB ASP A 774 9.638 -0.151 5.413 1.00 0.00 C ATOM 521 CG ASP A 774 8.650 -0.711 6.417 1.00 0.00 C ATOM 522 OD1 ASP A 774 7.512 -0.201 6.477 1.00 0.00 O ATOM 523 OD2 ASP A 774 9.015 -1.659 7.144 1.00 0.00 O ATOM 0 H ASP A 774 7.637 -1.252 4.482 1.00 0.00 H new ATOM 0 HA ASP A 774 8.647 1.376 4.273 1.00 0.00 H new ATOM 0 HB2 ASP A 774 10.369 -0.919 5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.187 0.673 5.869 1.00 0.00 H new ATOM 528 N PRO A 775 10.771 1.321 2.839 1.00 0.00 N ATOM 529 CA PRO A 775 11.768 1.410 1.769 1.00 0.00 C ATOM 530 C PRO A 775 12.897 0.399 1.942 1.00 0.00 C ATOM 531 O PRO A 775 13.858 0.646 2.669 1.00 0.00 O ATOM 532 CB PRO A 775 12.304 2.838 1.900 1.00 0.00 C ATOM 533 CG PRO A 775 12.070 3.200 3.326 1.00 0.00 C ATOM 534 CD PRO A 775 10.808 2.491 3.732 1.00 0.00 C ATOM 0 HA PRO A 775 11.337 1.190 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.363 2.888 1.647 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.783 3.520 1.228 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.909 2.891 3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.966 4.279 3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.833 2.195 4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.931 3.125 3.600 1.00 0.00 H new ATOM 542 N GLY A 776 12.774 -0.740 1.268 1.00 0.00 N ATOM 543 CA GLY A 776 13.792 -1.771 1.362 1.00 0.00 C ATOM 544 C GLY A 776 13.200 -3.164 1.440 1.00 0.00 C ATOM 545 O GLY A 776 13.929 -4.157 1.425 1.00 0.00 O ATOM 0 H GLY A 776 11.988 -0.968 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.450 -1.707 0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.407 -1.591 2.244 1.00 0.00 H new ATOM 549 N TYR A 777 11.877 -3.240 1.527 1.00 0.00 N ATOM 550 CA TYR A 777 11.188 -4.522 1.612 1.00 0.00 C ATOM 551 C TYR A 777 10.493 -4.856 0.296 1.00 0.00 C ATOM 552 O TYR A 777 10.545 -4.082 -0.660 1.00 0.00 O ATOM 553 CB TYR A 777 10.167 -4.501 2.750 1.00 0.00 C ATOM 554 CG TYR A 777 10.785 -4.296 4.115 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.341 -3.074 4.471 1.00 0.00 C ATOM 556 CD2 TYR A 777 10.810 -5.324 5.049 1.00 0.00 C ATOM 557 CE1 TYR A 777 11.908 -2.882 5.717 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.373 -5.142 6.297 1.00 0.00 C ATOM 559 CZ TYR A 777 11.921 -3.919 6.626 1.00 0.00 C ATOM 560 OH TYR A 777 12.483 -3.732 7.869 1.00 0.00 O ATOM 0 H TYR A 777 11.260 -2.428 1.541 1.00 0.00 H new ATOM 0 HA TYR A 777 11.932 -5.293 1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.445 -3.706 2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.614 -5.440 2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.330 -2.259 3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.382 -6.282 4.795 1.00 0.00 H new ATOM 0 HE1 TYR A 777 12.338 -1.926 5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 777 11.384 -5.952 7.011 1.00 0.00 H new ATOM 0 HH TYR A 777 12.410 -4.559 8.389 1.00 0.00 H new ATOM 570 N ASP A 778 9.844 -6.014 0.255 1.00 0.00 N ATOM 571 CA ASP A 778 9.136 -6.452 -0.942 1.00 0.00 C ATOM 572 C ASP A 778 7.755 -6.995 -0.589 1.00 0.00 C ATOM 573 O ASP A 778 7.565 -7.596 0.469 1.00 0.00 O ATOM 574 CB ASP A 778 9.946 -7.522 -1.676 1.00 0.00 C ATOM 575 CG ASP A 778 11.290 -7.006 -2.151 1.00 0.00 C ATOM 576 OD1 ASP A 778 12.106 -6.600 -1.297 1.00 0.00 O ATOM 577 OD2 ASP A 778 11.527 -7.009 -3.377 1.00 0.00 O ATOM 0 H ASP A 778 9.793 -6.667 1.037 1.00 0.00 H new ATOM 0 HA ASP A 778 9.011 -5.589 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 778 10.100 -8.374 -1.014 1.00 0.00 H new ATOM 0 HB3 ASP A 778 9.375 -7.882 -2.532 1.00 0.00 H new ATOM 582 N ILE A 779 6.794 -6.778 -1.481 1.00 0.00 N ATOM 583 CA ILE A 779 5.431 -7.246 -1.263 1.00 0.00 C ATOM 584 C ILE A 779 5.227 -8.639 -1.849 1.00 0.00 C ATOM 585 O ILE A 779 5.753 -8.959 -2.915 1.00 0.00 O ATOM 586 CB ILE A 779 4.400 -6.284 -1.883 1.00 0.00 C ATOM 587 CG1 ILE A 779 4.461 -4.921 -1.192 1.00 0.00 C ATOM 588 CG2 ILE A 779 3.000 -6.872 -1.783 1.00 0.00 C ATOM 589 CD1 ILE A 779 3.288 -4.024 -1.519 1.00 0.00 C ATOM 0 H ILE A 779 6.934 -6.281 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 779 5.279 -7.283 -0.184 1.00 0.00 H new ATOM 0 HB ILE A 779 4.641 -6.147 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 779 4.503 -5.071 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 779 5.384 -4.418 -1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 779 2.283 -6.181 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.965 -7.822 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.748 -7.035 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 779 3.398 -3.075 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 779 3.257 -3.843 -2.593 1.00 0.00 H new ATOM 0 HD13 ILE A 779 2.362 -4.507 -1.205 1.00 0.00 H new ATOM 601 N VAL A 780 4.457 -9.464 -1.146 1.00 0.00 N ATOM 602 CA VAL A 780 4.181 -10.822 -1.598 1.00 0.00 C ATOM 603 C VAL A 780 2.684 -11.046 -1.782 1.00 0.00 C ATOM 604 O VAL A 780 1.933 -11.123 -0.811 1.00 0.00 O ATOM 605 CB VAL A 780 4.726 -11.866 -0.605 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.480 -13.275 -1.122 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.208 -11.634 -0.349 1.00 0.00 C ATOM 0 H VAL A 780 4.014 -9.215 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 780 4.685 -10.945 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 780 4.195 -11.755 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 780 4.872 -13.998 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.409 -13.434 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 780 4.982 -13.404 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.577 -12.380 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.757 -11.717 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.353 -10.638 0.069 1.00 0.00 H new ATOM 617 N GLY A 781 2.257 -11.150 -3.037 1.00 0.00 N ATOM 618 CA GLY A 781 0.851 -11.365 -3.327 1.00 0.00 C ATOM 619 C GLY A 781 0.300 -10.350 -4.309 1.00 0.00 C ATOM 620 O GLY A 781 0.928 -10.056 -5.326 1.00 0.00 O ATOM 0 H GLY A 781 2.859 -11.089 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.716 -12.368 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.280 -11.316 -2.400 1.00 0.00 H new ATOM 624 N SER A 782 -0.877 -9.814 -4.005 1.00 0.00 N ATOM 625 CA SER A 782 -1.516 -8.830 -4.871 1.00 0.00 C ATOM 626 C SER A 782 -1.441 -7.435 -4.257 1.00 0.00 C ATOM 627 O SER A 782 -2.067 -7.162 -3.233 1.00 0.00 O ATOM 628 CB SER A 782 -2.976 -9.211 -5.122 1.00 0.00 C ATOM 629 OG SER A 782 -3.419 -8.732 -6.380 1.00 0.00 O ATOM 0 H SER A 782 -1.408 -10.044 -3.165 1.00 0.00 H new ATOM 0 HA SER A 782 -0.982 -8.819 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.084 -10.295 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.604 -8.800 -4.331 1.00 0.00 H new ATOM 0 HG SER A 782 -3.958 -7.924 -6.251 1.00 0.00 H new ATOM 635 N ASP A 783 -0.670 -6.558 -4.890 1.00 0.00 N ATOM 636 CA ASP A 783 -0.513 -5.191 -4.407 1.00 0.00 C ATOM 637 C ASP A 783 -1.853 -4.461 -4.396 1.00 0.00 C ATOM 638 O ASP A 783 -2.130 -3.663 -3.500 1.00 0.00 O ATOM 639 CB ASP A 783 0.488 -4.431 -5.280 1.00 0.00 C ATOM 640 CG ASP A 783 0.137 -4.495 -6.753 1.00 0.00 C ATOM 641 OD1 ASP A 783 -0.758 -3.738 -7.184 1.00 0.00 O ATOM 642 OD2 ASP A 783 0.757 -5.303 -7.476 1.00 0.00 O ATOM 0 H ASP A 783 -0.144 -6.769 -5.738 1.00 0.00 H new ATOM 0 HA ASP A 783 -0.134 -5.234 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.524 -3.389 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.485 -4.845 -5.129 1.00 0.00 H new ATOM 647 N THR A 784 -2.681 -4.740 -5.397 1.00 0.00 N ATOM 648 CA THR A 784 -3.991 -4.109 -5.504 1.00 0.00 C ATOM 649 C THR A 784 -5.108 -5.113 -5.241 1.00 0.00 C ATOM 650 O THR A 784 -5.197 -6.145 -5.907 1.00 0.00 O ATOM 651 CB THR A 784 -4.199 -3.478 -6.893 1.00 0.00 C ATOM 652 OG1 THR A 784 -3.060 -2.687 -7.248 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.450 -2.613 -6.913 1.00 0.00 C ATOM 0 H THR A 784 -2.468 -5.399 -6.146 1.00 0.00 H new ATOM 0 HA THR A 784 -4.027 -3.324 -4.748 1.00 0.00 H new ATOM 0 HB THR A 784 -4.322 -4.283 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.339 -3.273 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.576 -2.178 -7.905 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.319 -3.225 -6.672 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.353 -1.815 -6.177 1.00 0.00 H new ATOM 661 N LEU A 785 -5.958 -4.804 -4.268 1.00 0.00 N ATOM 662 CA LEU A 785 -7.071 -5.679 -3.918 1.00 0.00 C ATOM 663 C LEU A 785 -8.407 -5.004 -4.208 1.00 0.00 C ATOM 664 O LEU A 785 -8.698 -3.927 -3.687 1.00 0.00 O ATOM 665 CB LEU A 785 -6.994 -6.069 -2.441 1.00 0.00 C ATOM 666 CG LEU A 785 -5.945 -7.121 -2.078 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.570 -6.697 -2.572 1.00 0.00 C ATOM 668 CD2 LEU A 785 -5.924 -7.357 -0.575 1.00 0.00 C ATOM 0 H LEU A 785 -5.898 -3.954 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 785 -6.999 -6.579 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.794 -5.170 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -7.972 -6.438 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.212 -8.057 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -3.837 -7.458 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.593 -6.580 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.294 -5.749 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.172 -8.108 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -5.682 -6.425 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -6.903 -7.707 -0.248 1.00 0.00 H new ATOM 680 N THR A 786 -9.220 -5.645 -5.043 1.00 0.00 N ATOM 681 CA THR A 786 -10.526 -5.107 -5.402 1.00 0.00 C ATOM 682 C THR A 786 -11.647 -5.892 -4.731 1.00 0.00 C ATOM 683 O THR A 786 -11.470 -7.052 -4.357 1.00 0.00 O ATOM 684 CB THR A 786 -10.742 -5.128 -6.927 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.615 -4.545 -7.590 1.00 0.00 O ATOM 686 CG2 THR A 786 -12.006 -4.370 -7.305 1.00 0.00 C ATOM 0 H THR A 786 -8.996 -6.538 -5.483 1.00 0.00 H new ATOM 0 HA THR A 786 -10.549 -4.075 -5.053 1.00 0.00 H new ATOM 0 HB THR A 786 -10.851 -6.166 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.760 -4.564 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 786 -12.138 -4.398 -8.387 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.866 -4.834 -6.822 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.921 -3.334 -6.977 1.00 0.00 H new ATOM 694 N CYS A 787 -12.802 -5.252 -4.580 1.00 0.00 N ATOM 695 CA CYS A 787 -13.953 -5.890 -3.953 1.00 0.00 C ATOM 696 C CYS A 787 -14.888 -6.481 -5.005 1.00 0.00 C ATOM 697 O CYS A 787 -15.550 -5.750 -5.740 1.00 0.00 O ATOM 698 CB CYS A 787 -14.713 -4.882 -3.088 1.00 0.00 C ATOM 699 SG CYS A 787 -16.049 -5.617 -2.090 1.00 0.00 S ATOM 0 H CYS A 787 -12.965 -4.292 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.588 -6.699 -3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -14.007 -4.386 -2.422 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.137 -4.113 -3.733 1.00 0.00 H new ATOM 704 N GLN A 788 -14.934 -7.808 -5.069 1.00 0.00 N ATOM 705 CA GLN A 788 -15.786 -8.496 -6.031 1.00 0.00 C ATOM 706 C GLN A 788 -17.255 -8.159 -5.796 1.00 0.00 C ATOM 707 O GLN A 788 -17.612 -7.578 -4.771 1.00 0.00 O ATOM 708 CB GLN A 788 -15.577 -10.009 -5.939 1.00 0.00 C ATOM 709 CG GLN A 788 -14.198 -10.461 -6.392 1.00 0.00 C ATOM 710 CD GLN A 788 -14.206 -11.859 -6.978 1.00 0.00 C ATOM 711 OE1 GLN A 788 -14.014 -12.041 -8.181 1.00 0.00 O ATOM 712 NE2 GLN A 788 -14.429 -12.856 -6.130 1.00 0.00 N ATOM 0 H GLN A 788 -14.392 -8.427 -4.467 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.510 -8.158 -7.030 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.734 -10.327 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.332 -10.509 -6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -13.817 -9.761 -7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.513 -10.430 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -14.583 -12.660 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -14.446 -13.818 -6.467 1.00 0.00 H new ATOM 721 N TRP A 789 -18.101 -8.526 -6.752 1.00 0.00 N ATOM 722 CA TRP A 789 -19.532 -8.262 -6.649 1.00 0.00 C ATOM 723 C TRP A 789 -20.136 -8.993 -5.455 1.00 0.00 C ATOM 724 O TRP A 789 -21.229 -8.658 -4.999 1.00 0.00 O ATOM 725 CB TRP A 789 -20.243 -8.685 -7.935 1.00 0.00 C ATOM 726 CG TRP A 789 -19.764 -7.949 -9.149 1.00 0.00 C ATOM 727 CD1 TRP A 789 -18.826 -8.372 -10.047 1.00 0.00 C ATOM 728 CD2 TRP A 789 -20.198 -6.660 -9.596 1.00 0.00 C ATOM 729 NE1 TRP A 789 -18.651 -7.424 -11.026 1.00 0.00 N ATOM 730 CE2 TRP A 789 -19.481 -6.365 -10.773 1.00 0.00 C ATOM 731 CE3 TRP A 789 -21.123 -5.728 -9.119 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -19.662 -5.176 -11.475 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -21.301 -4.549 -9.818 1.00 0.00 C ATOM 734 CH2 TRP A 789 -20.574 -4.282 -10.986 1.00 0.00 C ATOM 0 H TRP A 789 -17.821 -9.007 -7.607 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.669 -7.191 -6.502 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -20.098 -9.755 -8.087 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -21.315 -8.522 -7.820 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -18.299 -9.313 -9.995 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -18.007 -7.497 -11.814 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -21.689 -5.925 -8.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -19.102 -4.967 -12.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -22.013 -3.821 -9.458 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -20.737 -3.352 -11.510 1.00 0.00 H new ATOM 745 N ASP A 790 -19.417 -9.991 -4.952 1.00 0.00 N ATOM 746 CA ASP A 790 -19.883 -10.768 -3.810 1.00 0.00 C ATOM 747 C ASP A 790 -19.328 -10.203 -2.506 1.00 0.00 C ATOM 748 O ASP A 790 -19.287 -10.892 -1.485 1.00 0.00 O ATOM 749 CB ASP A 790 -19.471 -12.234 -3.961 1.00 0.00 C ATOM 750 CG ASP A 790 -20.220 -13.146 -3.009 1.00 0.00 C ATOM 751 OD1 ASP A 790 -19.813 -13.239 -1.833 1.00 0.00 O ATOM 752 OD2 ASP A 790 -21.213 -13.769 -3.442 1.00 0.00 O ATOM 0 H ASP A 790 -18.510 -10.280 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 790 -20.971 -10.706 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -19.653 -12.556 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -18.400 -12.328 -3.782 1.00 0.00 H new ATOM 757 N LEU A 791 -18.900 -8.946 -2.547 1.00 0.00 N ATOM 758 CA LEU A 791 -18.346 -8.288 -1.369 1.00 0.00 C ATOM 759 C LEU A 791 -17.205 -9.106 -0.774 1.00 0.00 C ATOM 760 O LEU A 791 -17.050 -9.180 0.445 1.00 0.00 O ATOM 761 CB LEU A 791 -19.438 -8.075 -0.318 1.00 0.00 C ATOM 762 CG LEU A 791 -20.635 -7.230 -0.755 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.710 -7.232 0.320 1.00 0.00 C ATOM 764 CD2 LEU A 791 -20.196 -5.808 -1.072 1.00 0.00 C ATOM 0 H LEU A 791 -18.926 -8.362 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 791 -17.952 -7.319 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.804 -9.051 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -18.987 -7.605 0.556 1.00 0.00 H new ATOM 0 HG LEU A 791 -21.055 -7.669 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -22.554 -6.626 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -22.045 -8.254 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -21.303 -6.818 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -21.061 -5.221 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -19.751 -5.358 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.462 -5.825 -1.878 1.00 0.00 H new ATOM 776 N SER A 792 -16.407 -9.718 -1.643 1.00 0.00 N ATOM 777 CA SER A 792 -15.280 -10.532 -1.204 1.00 0.00 C ATOM 778 C SER A 792 -14.016 -10.177 -1.982 1.00 0.00 C ATOM 779 O SER A 792 -13.994 -10.240 -3.211 1.00 0.00 O ATOM 780 CB SER A 792 -15.598 -12.018 -1.378 1.00 0.00 C ATOM 781 OG SER A 792 -16.857 -12.340 -0.811 1.00 0.00 O ATOM 0 H SER A 792 -16.520 -9.665 -2.655 1.00 0.00 H new ATOM 0 HA SER A 792 -15.106 -10.326 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.598 -12.272 -2.438 1.00 0.00 H new ATOM 0 HB3 SER A 792 -14.819 -12.617 -0.907 1.00 0.00 H new ATOM 0 HG SER A 792 -17.563 -11.848 -1.280 1.00 0.00 H new ATOM 787 N TRP A 793 -12.968 -9.803 -1.257 1.00 0.00 N ATOM 788 CA TRP A 793 -11.701 -9.437 -1.879 1.00 0.00 C ATOM 789 C TRP A 793 -11.158 -10.584 -2.725 1.00 0.00 C ATOM 790 O TRP A 793 -11.133 -11.733 -2.286 1.00 0.00 O ATOM 791 CB TRP A 793 -10.679 -9.047 -0.810 1.00 0.00 C ATOM 792 CG TRP A 793 -11.126 -7.905 0.051 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.674 -7.986 1.300 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.065 -6.512 -0.273 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.957 -6.727 1.771 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.593 -5.805 0.825 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.615 -5.793 -1.384 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.682 -4.416 0.842 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -10.705 -4.414 -1.365 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.234 -3.737 -0.258 1.00 0.00 C ATOM 0 H TRP A 793 -12.971 -9.745 -0.239 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.878 -8.582 -2.531 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.477 -9.912 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.740 -8.781 -1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.858 -8.904 1.838 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.371 -6.513 2.678 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.205 -6.306 -2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.090 -3.893 1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.362 -3.848 -2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.289 -2.659 -0.273 1.00 0.00 H new ATOM 811 N SER A 794 -10.724 -10.263 -3.940 1.00 0.00 N ATOM 812 CA SER A 794 -10.185 -11.268 -4.849 1.00 0.00 C ATOM 813 C SER A 794 -9.370 -12.309 -4.086 1.00 0.00 C ATOM 814 O SER A 794 -9.472 -13.507 -4.348 1.00 0.00 O ATOM 815 CB SER A 794 -9.315 -10.605 -5.918 1.00 0.00 C ATOM 816 OG SER A 794 -8.970 -11.526 -6.938 1.00 0.00 O ATOM 0 H SER A 794 -10.735 -9.315 -4.317 1.00 0.00 H new ATOM 0 HA SER A 794 -11.022 -11.771 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.848 -9.759 -6.352 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.409 -10.209 -5.460 1.00 0.00 H new ATOM 0 HG SER A 794 -8.415 -11.077 -7.610 1.00 0.00 H new ATOM 822 N SER A 795 -8.561 -11.841 -3.141 1.00 0.00 N ATOM 823 CA SER A 795 -7.725 -12.729 -2.342 1.00 0.00 C ATOM 824 C SER A 795 -7.200 -12.012 -1.102 1.00 0.00 C ATOM 825 O SER A 795 -7.242 -10.784 -1.017 1.00 0.00 O ATOM 826 CB SER A 795 -6.554 -13.250 -3.178 1.00 0.00 C ATOM 827 OG SER A 795 -6.993 -14.193 -4.140 1.00 0.00 O ATOM 0 H SER A 795 -8.467 -10.852 -2.910 1.00 0.00 H new ATOM 0 HA SER A 795 -8.337 -13.572 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 795 -6.062 -12.417 -3.680 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.813 -13.711 -2.524 1.00 0.00 H new ATOM 0 HG SER A 795 -7.960 -14.323 -4.053 1.00 0.00 H new ATOM 833 N ASP A 796 -6.707 -12.787 -0.142 1.00 0.00 N ATOM 834 CA ASP A 796 -6.173 -12.227 1.094 1.00 0.00 C ATOM 835 C ASP A 796 -5.130 -11.154 0.798 1.00 0.00 C ATOM 836 O ASP A 796 -4.493 -11.147 -0.255 1.00 0.00 O ATOM 837 CB ASP A 796 -5.558 -13.331 1.954 1.00 0.00 C ATOM 838 CG ASP A 796 -6.245 -14.669 1.759 1.00 0.00 C ATOM 839 OD1 ASP A 796 -7.373 -14.835 2.267 1.00 0.00 O ATOM 840 OD2 ASP A 796 -5.654 -15.549 1.099 1.00 0.00 O ATOM 0 H ASP A 796 -6.666 -13.805 -0.196 1.00 0.00 H new ATOM 0 HA ASP A 796 -6.996 -11.767 1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -4.500 -13.430 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -5.618 -13.045 3.004 1.00 0.00 H new ATOM 845 N PRO A 797 -4.951 -10.225 1.749 1.00 0.00 N ATOM 846 CA PRO A 797 -3.986 -9.129 1.613 1.00 0.00 C ATOM 847 C PRO A 797 -2.543 -9.616 1.679 1.00 0.00 C ATOM 848 O PRO A 797 -2.211 -10.551 2.409 1.00 0.00 O ATOM 849 CB PRO A 797 -4.303 -8.228 2.809 1.00 0.00 C ATOM 850 CG PRO A 797 -4.920 -9.137 3.815 1.00 0.00 C ATOM 851 CD PRO A 797 -5.676 -10.172 3.029 1.00 0.00 C ATOM 0 HA PRO A 797 -4.072 -8.627 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.401 -7.758 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -4.985 -7.425 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.158 -9.602 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.587 -8.588 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.674 -11.139 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.719 -9.887 2.889 1.00 0.00 H new ATOM 859 N PRO A 798 -1.663 -8.969 0.901 1.00 0.00 N ATOM 860 CA PRO A 798 -0.240 -9.319 0.855 1.00 0.00 C ATOM 861 C PRO A 798 0.487 -8.959 2.146 1.00 0.00 C ATOM 862 O PRO A 798 -0.140 -8.708 3.175 1.00 0.00 O ATOM 863 CB PRO A 798 0.293 -8.483 -0.311 1.00 0.00 C ATOM 864 CG PRO A 798 -0.639 -7.325 -0.404 1.00 0.00 C ATOM 865 CD PRO A 798 -1.989 -7.846 0.006 1.00 0.00 C ATOM 0 HA PRO A 798 -0.087 -10.391 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.316 -8.154 -0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 798 0.304 -9.057 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.319 -6.513 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -0.666 -6.926 -1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.576 -7.083 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.572 -8.174 -0.855 1.00 0.00 H new ATOM 873 N PHE A 799 1.815 -8.934 2.084 1.00 0.00 N ATOM 874 CA PHE A 799 2.628 -8.604 3.249 1.00 0.00 C ATOM 875 C PHE A 799 4.001 -8.089 2.826 1.00 0.00 C ATOM 876 O PHE A 799 4.404 -8.238 1.672 1.00 0.00 O ATOM 877 CB PHE A 799 2.787 -9.831 4.151 1.00 0.00 C ATOM 878 CG PHE A 799 2.938 -11.117 3.391 1.00 0.00 C ATOM 879 CD1 PHE A 799 1.823 -11.811 2.949 1.00 0.00 C ATOM 880 CD2 PHE A 799 4.195 -11.634 3.119 1.00 0.00 C ATOM 881 CE1 PHE A 799 1.958 -12.996 2.249 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.336 -12.817 2.420 1.00 0.00 C ATOM 883 CZ PHE A 799 3.217 -13.500 1.985 1.00 0.00 C ATOM 0 H PHE A 799 2.350 -9.138 1.240 1.00 0.00 H new ATOM 0 HA PHE A 799 2.119 -7.816 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.659 -9.692 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.919 -9.905 4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 799 0.837 -11.422 3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 799 5.074 -11.106 3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.081 -13.527 1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.321 -13.208 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.326 -14.426 1.440 1.00 0.00 H new ATOM 893 N CYS A 800 4.714 -7.482 3.768 1.00 0.00 N ATOM 894 CA CYS A 800 6.041 -6.944 3.495 1.00 0.00 C ATOM 895 C CYS A 800 7.126 -7.870 4.036 1.00 0.00 C ATOM 896 O CYS A 800 7.214 -8.101 5.241 1.00 0.00 O ATOM 897 CB CYS A 800 6.187 -5.553 4.115 1.00 0.00 C ATOM 898 SG CYS A 800 4.695 -4.516 3.977 1.00 0.00 S ATOM 0 H CYS A 800 4.395 -7.350 4.728 1.00 0.00 H new ATOM 0 HA CYS A 800 6.159 -6.868 2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.444 -5.662 5.169 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.020 -5.039 3.635 1.00 0.00 H new ATOM 903 N GLU A 801 7.950 -8.397 3.135 1.00 0.00 N ATOM 904 CA GLU A 801 9.029 -9.298 3.522 1.00 0.00 C ATOM 905 C GLU A 801 10.389 -8.705 3.165 1.00 0.00 C ATOM 906 O GLU A 801 10.584 -8.190 2.064 1.00 0.00 O ATOM 907 CB GLU A 801 8.858 -10.657 2.840 1.00 0.00 C ATOM 908 CG GLU A 801 9.460 -11.811 3.623 1.00 0.00 C ATOM 909 CD GLU A 801 10.942 -11.627 3.887 1.00 0.00 C ATOM 910 OE1 GLU A 801 11.705 -11.487 2.908 1.00 0.00 O ATOM 911 OE2 GLU A 801 11.338 -11.622 5.071 1.00 0.00 O ATOM 0 H GLU A 801 7.891 -8.215 2.133 1.00 0.00 H new ATOM 0 HA GLU A 801 8.984 -9.433 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 801 7.795 -10.847 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 801 9.319 -10.619 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 801 8.936 -11.913 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 801 9.305 -12.739 3.072 1.00 0.00 H new ATOM 918 N LYS A 802 11.326 -8.781 4.104 1.00 0.00 N ATOM 919 CA LYS A 802 12.668 -8.253 3.890 1.00 0.00 C ATOM 920 C LYS A 802 13.517 -9.233 3.087 1.00 0.00 C ATOM 921 O LYS A 802 13.885 -10.301 3.580 1.00 0.00 O ATOM 922 CB LYS A 802 13.342 -7.957 5.232 1.00 0.00 C ATOM 923 CG LYS A 802 14.809 -7.583 5.106 1.00 0.00 C ATOM 924 CD LYS A 802 15.315 -6.887 6.358 1.00 0.00 C ATOM 925 CE LYS A 802 16.725 -6.348 6.164 1.00 0.00 C ATOM 926 NZ LYS A 802 17.337 -5.921 7.453 1.00 0.00 N ATOM 0 H LYS A 802 11.181 -9.203 5.021 1.00 0.00 H new ATOM 0 HA LYS A 802 12.581 -7.327 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 802 12.809 -7.144 5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 802 13.253 -8.833 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.400 -8.480 4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 802 14.946 -6.930 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 802 14.644 -6.068 6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 802 15.303 -7.586 7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.347 -7.115 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 802 16.699 -5.503 5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 18.297 -5.560 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 16.757 -5.171 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 17.385 -6.733 8.101 1.00 0.00 H new