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=-0.094) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 757 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 770 THR OG1 : rot 180:sc= 0 USER MOD Single : A 771 TYR OH : rot 100:sc= 0 USER MOD Single : A 772 GLN : amide:sc= -0.812 K(o=-0.81,f=-3.1!) 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 67:sc= 0.421 USER MOD Single : A 786 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 GLN : amide:sc= -0.0984 K(o=-0.098,f=-2!) USER MOD Single : A 792 SER OG : rot 46:sc= 0.38 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 795 SER OG : rot -6:sc= 1.13 USER MOD Single : A 802 LYS NZ :NH3+ -155:sc= -0.0235 (180deg=-0.759) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 744 -20.416 -3.336 1.969 1.00 0.00 N ATOM 60 CA GLY A 744 -19.079 -3.274 1.408 1.00 0.00 C ATOM 61 C GLY A 744 -18.215 -4.444 1.837 1.00 0.00 C ATOM 62 O GLY A 744 -18.505 -5.106 2.834 1.00 0.00 O ATOM 0 HA2 GLY A 744 -19.145 -3.255 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 744 -18.603 -2.343 1.715 1.00 0.00 H new ATOM 66 N CYS A 745 -17.152 -4.700 1.082 1.00 0.00 N ATOM 67 CA CYS A 745 -16.244 -5.799 1.387 1.00 0.00 C ATOM 68 C CYS A 745 -15.914 -5.834 2.877 1.00 0.00 C ATOM 69 O CYS A 745 -15.984 -4.815 3.563 1.00 0.00 O ATOM 70 CB CYS A 745 -14.957 -5.667 0.571 1.00 0.00 C ATOM 71 SG CYS A 745 -15.015 -6.499 -1.048 1.00 0.00 S ATOM 0 H CYS A 745 -16.898 -4.161 0.254 1.00 0.00 H new ATOM 0 HA CYS A 745 -16.740 -6.732 1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 745 -14.744 -4.609 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 745 -14.129 -6.078 1.149 1.00 0.00 H new ATOM 76 N SER A 746 -15.552 -7.015 3.370 1.00 0.00 N ATOM 77 CA SER A 746 -15.214 -7.184 4.778 1.00 0.00 C ATOM 78 C SER A 746 -13.965 -6.384 5.137 1.00 0.00 C ATOM 79 O SER A 746 -12.991 -6.364 4.385 1.00 0.00 O ATOM 80 CB SER A 746 -14.995 -8.664 5.098 1.00 0.00 C ATOM 81 OG SER A 746 -16.229 -9.354 5.189 1.00 0.00 O ATOM 0 H SER A 746 -15.485 -7.868 2.815 1.00 0.00 H new ATOM 0 HA SER A 746 -16.047 -6.810 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 746 -14.377 -9.119 4.324 1.00 0.00 H new ATOM 0 HB3 SER A 746 -14.451 -8.760 6.038 1.00 0.00 H new ATOM 0 HG SER A 746 -16.062 -10.298 5.393 1.00 0.00 H new ATOM 87 N ASP A 747 -14.003 -5.726 6.290 1.00 0.00 N ATOM 88 CA ASP A 747 -12.875 -4.925 6.751 1.00 0.00 C ATOM 89 C ASP A 747 -11.601 -5.763 6.809 1.00 0.00 C ATOM 90 O ASP A 747 -11.656 -6.987 6.939 1.00 0.00 O ATOM 91 CB ASP A 747 -13.173 -4.330 8.128 1.00 0.00 C ATOM 92 CG ASP A 747 -12.154 -3.286 8.540 1.00 0.00 C ATOM 93 OD1 ASP A 747 -12.116 -2.211 7.904 1.00 0.00 O ATOM 94 OD2 ASP A 747 -11.396 -3.542 9.498 1.00 0.00 O ATOM 0 H ASP A 747 -14.803 -5.731 6.923 1.00 0.00 H new ATOM 0 HA ASP A 747 -12.722 -4.114 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 747 -14.166 -3.881 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 747 -13.191 -5.129 8.870 1.00 0.00 H new ATOM 99 N LEU A 748 -10.456 -5.097 6.712 1.00 0.00 N ATOM 100 CA LEU A 748 -9.168 -5.780 6.752 1.00 0.00 C ATOM 101 C LEU A 748 -8.334 -5.299 7.935 1.00 0.00 C ATOM 102 O LEU A 748 -8.379 -4.132 8.325 1.00 0.00 O ATOM 103 CB LEU A 748 -8.404 -5.549 5.447 1.00 0.00 C ATOM 104 CG LEU A 748 -8.982 -6.223 4.203 1.00 0.00 C ATOM 105 CD1 LEU A 748 -8.630 -5.430 2.954 1.00 0.00 C ATOM 106 CD2 LEU A 748 -8.477 -7.654 4.088 1.00 0.00 C ATOM 0 H LEU A 748 -10.393 -4.085 6.605 1.00 0.00 H new ATOM 0 HA LEU A 748 -9.354 -6.847 6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 748 -8.354 -4.476 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 748 -7.380 -5.898 5.582 1.00 0.00 H new ATOM 0 HG LEU A 748 -10.067 -6.249 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 748 -9.050 -5.925 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 748 -9.041 -4.424 3.034 1.00 0.00 H new ATOM 0 HD13 LEU A 748 -7.546 -5.372 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 748 -8.899 -8.118 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 748 -7.389 -7.651 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 748 -8.781 -8.219 4.969 1.00 0.00 H new ATOM 118 N PRO A 749 -7.551 -6.218 8.520 1.00 0.00 N ATOM 119 CA PRO A 749 -6.689 -5.910 9.665 1.00 0.00 C ATOM 120 C PRO A 749 -5.517 -5.011 9.284 1.00 0.00 C ATOM 121 O PRO A 749 -5.397 -4.587 8.135 1.00 0.00 O ATOM 122 CB PRO A 749 -6.185 -7.285 10.110 1.00 0.00 C ATOM 123 CG PRO A 749 -6.262 -8.131 8.886 1.00 0.00 C ATOM 124 CD PRO A 749 -7.446 -7.627 8.109 1.00 0.00 C ATOM 0 HA PRO A 749 -7.224 -5.365 10.442 1.00 0.00 H new ATOM 0 HB2 PRO A 749 -5.165 -7.229 10.489 1.00 0.00 H new ATOM 0 HB3 PRO A 749 -6.801 -7.692 10.912 1.00 0.00 H new ATOM 0 HG2 PRO A 749 -5.347 -8.052 8.299 1.00 0.00 H new ATOM 0 HG3 PRO A 749 -6.384 -9.183 9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 749 -7.291 -7.721 7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 749 -8.351 -8.184 8.350 1.00 0.00 H new ATOM 132 N GLU A 750 -4.655 -4.726 10.255 1.00 0.00 N ATOM 133 CA GLU A 750 -3.493 -3.878 10.019 1.00 0.00 C ATOM 134 C GLU A 750 -2.302 -4.706 9.545 1.00 0.00 C ATOM 135 O GLU A 750 -2.149 -5.867 9.925 1.00 0.00 O ATOM 136 CB GLU A 750 -3.123 -3.116 11.294 1.00 0.00 C ATOM 137 CG GLU A 750 -4.199 -2.149 11.759 1.00 0.00 C ATOM 138 CD GLU A 750 -4.345 -0.952 10.840 1.00 0.00 C ATOM 139 OE1 GLU A 750 -3.359 -0.604 10.158 1.00 0.00 O ATOM 140 OE2 GLU A 750 -5.446 -0.363 10.804 1.00 0.00 O ATOM 0 H GLU A 750 -4.740 -5.070 11.212 1.00 0.00 H new ATOM 0 HA GLU A 750 -3.750 -3.163 9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 750 -2.922 -3.833 12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 750 -2.199 -2.563 11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 750 -5.152 -2.674 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 750 -3.961 -1.803 12.765 1.00 0.00 H new ATOM 147 N ILE A 751 -1.462 -4.100 8.713 1.00 0.00 N ATOM 148 CA ILE A 751 -0.285 -4.780 8.187 1.00 0.00 C ATOM 149 C ILE A 751 0.978 -4.340 8.921 1.00 0.00 C ATOM 150 O ILE A 751 1.078 -3.200 9.374 1.00 0.00 O ATOM 151 CB ILE A 751 -0.108 -4.516 6.680 1.00 0.00 C ATOM 152 CG1 ILE A 751 1.293 -4.934 6.228 1.00 0.00 C ATOM 153 CG2 ILE A 751 -0.356 -3.048 6.367 1.00 0.00 C ATOM 154 CD1 ILE A 751 1.375 -5.277 4.757 1.00 0.00 C ATOM 0 H ILE A 751 -1.575 -3.140 8.389 1.00 0.00 H new ATOM 0 HA ILE A 751 -0.441 -5.847 8.344 1.00 0.00 H new ATOM 0 HB ILE A 751 -0.838 -5.112 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 751 1.992 -4.126 6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 751 1.612 -5.797 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 751 -0.227 -2.877 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 751 -1.372 -2.781 6.657 1.00 0.00 H new ATOM 0 HG23 ILE A 751 0.353 -2.433 6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 751 2.396 -5.564 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 751 0.701 -6.105 4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 751 1.087 -4.409 4.164 1.00 0.00 H new ATOM 166 N GLN A 752 1.939 -5.251 9.031 1.00 0.00 N ATOM 167 CA GLN A 752 3.196 -4.956 9.709 1.00 0.00 C ATOM 168 C GLN A 752 4.197 -4.324 8.747 1.00 0.00 C ATOM 169 O GLN A 752 4.270 -4.697 7.577 1.00 0.00 O ATOM 170 CB GLN A 752 3.787 -6.232 10.312 1.00 0.00 C ATOM 171 CG GLN A 752 4.116 -7.297 9.279 1.00 0.00 C ATOM 172 CD GLN A 752 4.967 -8.417 9.847 1.00 0.00 C ATOM 173 OE1 GLN A 752 6.163 -8.504 9.568 1.00 0.00 O ATOM 174 NE2 GLN A 752 4.353 -9.280 10.647 1.00 0.00 N ATOM 0 H GLN A 752 1.872 -6.199 8.660 1.00 0.00 H new ATOM 0 HA GLN A 752 2.990 -4.246 10.510 1.00 0.00 H new ATOM 0 HB2 GLN A 752 4.694 -5.978 10.861 1.00 0.00 H new ATOM 0 HB3 GLN A 752 3.081 -6.643 11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 752 3.189 -7.714 8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 752 4.640 -6.836 8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 752 3.360 -9.169 10.851 1.00 0.00 H new ATOM 0 HE22 GLN A 752 4.874 -10.054 11.058 1.00 0.00 H new ATOM 183 N ASN A 753 4.967 -3.364 9.249 1.00 0.00 N ATOM 184 CA ASN A 753 5.964 -2.679 8.434 1.00 0.00 C ATOM 185 C ASN A 753 5.344 -2.158 7.141 1.00 0.00 C ATOM 186 O ASN A 753 5.951 -2.237 6.074 1.00 0.00 O ATOM 187 CB ASN A 753 7.126 -3.621 8.113 1.00 0.00 C ATOM 188 CG ASN A 753 8.173 -3.641 9.210 1.00 0.00 C ATOM 189 OD1 ASN A 753 7.858 -3.847 10.382 1.00 0.00 O ATOM 190 ND2 ASN A 753 9.429 -3.426 8.833 1.00 0.00 N ATOM 0 H ASN A 753 4.920 -3.043 10.216 1.00 0.00 H new ATOM 0 HA ASN A 753 6.341 -1.830 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 753 6.742 -4.630 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 753 7.591 -3.314 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 753 10.177 -3.428 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 753 9.645 -3.259 7.850 1.00 0.00 H new ATOM 197 N GLY A 754 4.131 -1.625 7.245 1.00 0.00 N ATOM 198 CA GLY A 754 3.449 -1.099 6.077 1.00 0.00 C ATOM 199 C GLY A 754 2.151 -0.400 6.429 1.00 0.00 C ATOM 200 O GLY A 754 1.749 -0.372 7.592 1.00 0.00 O ATOM 0 H GLY A 754 3.608 -1.548 8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 754 4.106 -0.399 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 754 3.243 -1.914 5.383 1.00 0.00 H new ATOM 204 N TRP A 755 1.495 0.168 5.423 1.00 0.00 N ATOM 205 CA TRP A 755 0.236 0.873 5.633 1.00 0.00 C ATOM 206 C TRP A 755 -0.692 0.698 4.435 1.00 0.00 C ATOM 207 O TRP A 755 -0.237 0.526 3.304 1.00 0.00 O ATOM 208 CB TRP A 755 0.495 2.360 5.880 1.00 0.00 C ATOM 209 CG TRP A 755 1.279 3.016 4.785 1.00 0.00 C ATOM 210 CD1 TRP A 755 0.783 3.561 3.635 1.00 0.00 C ATOM 211 CD2 TRP A 755 2.699 3.195 4.736 1.00 0.00 C ATOM 212 NE1 TRP A 755 1.809 4.068 2.875 1.00 0.00 N ATOM 213 CE2 TRP A 755 2.994 3.856 3.528 1.00 0.00 C ATOM 214 CE3 TRP A 755 3.749 2.862 5.596 1.00 0.00 C ATOM 215 CZ2 TRP A 755 4.295 4.189 3.161 1.00 0.00 C ATOM 216 CZ3 TRP A 755 5.040 3.192 5.229 1.00 0.00 C ATOM 217 CH2 TRP A 755 5.304 3.851 4.021 1.00 0.00 C ATOM 0 H TRP A 755 1.814 0.154 4.454 1.00 0.00 H new ATOM 0 HA TRP A 755 -0.249 0.446 6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 755 -0.460 2.874 5.992 1.00 0.00 H new ATOM 0 HB3 TRP A 755 1.032 2.476 6.821 1.00 0.00 H new ATOM 0 HD1 TRP A 755 -0.262 3.589 3.363 1.00 0.00 H new ATOM 0 HE1 TRP A 755 1.705 4.528 1.971 1.00 0.00 H new ATOM 0 HE3 TRP A 755 3.555 2.356 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 755 4.501 4.696 2.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 755 5.860 2.937 5.885 1.00 0.00 H new ATOM 0 HH2 TRP A 755 6.324 4.097 3.764 1.00 0.00 H new ATOM 228 N LYS A 756 -1.995 0.744 4.691 1.00 0.00 N ATOM 229 CA LYS A 756 -2.988 0.592 3.634 1.00 0.00 C ATOM 230 C LYS A 756 -3.857 1.841 3.520 1.00 0.00 C ATOM 231 O LYS A 756 -4.040 2.573 4.493 1.00 0.00 O ATOM 232 CB LYS A 756 -3.867 -0.631 3.903 1.00 0.00 C ATOM 233 CG LYS A 756 -4.596 -0.576 5.234 1.00 0.00 C ATOM 234 CD LYS A 756 -5.539 -1.755 5.403 1.00 0.00 C ATOM 235 CE LYS A 756 -5.796 -2.057 6.871 1.00 0.00 C ATOM 236 NZ LYS A 756 -6.596 -0.984 7.526 1.00 0.00 N ATOM 0 H LYS A 756 -2.388 0.885 5.622 1.00 0.00 H new ATOM 0 HA LYS A 756 -2.459 0.451 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -4.599 -0.725 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -3.247 -1.527 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -3.870 -0.570 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -5.160 0.354 5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.484 -1.541 4.904 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.114 -2.634 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -6.322 -3.008 6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -4.845 -2.169 7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -6.750 -1.227 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -6.083 -0.081 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -7.514 -0.894 7.046 1.00 0.00 H new ATOM 250 N THR A 757 -4.393 2.077 2.327 1.00 0.00 N ATOM 251 CA THR A 757 -5.243 3.236 2.087 1.00 0.00 C ATOM 252 C THR A 757 -6.609 2.816 1.556 1.00 0.00 C ATOM 253 O THR A 757 -6.744 1.772 0.917 1.00 0.00 O ATOM 254 CB THR A 757 -4.595 4.211 1.087 1.00 0.00 C ATOM 255 OG1 THR A 757 -4.153 3.500 -0.075 1.00 0.00 O ATOM 256 CG2 THR A 757 -3.417 4.935 1.723 1.00 0.00 C ATOM 0 H THR A 757 -4.253 1.480 1.512 1.00 0.00 H new ATOM 0 HA THR A 757 -5.368 3.740 3.046 1.00 0.00 H new ATOM 0 HB THR A 757 -5.342 4.950 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 757 -3.744 4.128 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 757 -2.975 5.618 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 757 -3.762 5.499 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 757 -2.669 4.207 2.038 1.00 0.00 H new ATOM 335 N LEU A 763 -15.682 1.401 2.102 1.00 0.00 N ATOM 336 CA LEU A 763 -15.464 0.255 1.225 1.00 0.00 C ATOM 337 C LEU A 763 -16.707 -0.033 0.388 1.00 0.00 C ATOM 338 O LEU A 763 -17.709 -0.533 0.898 1.00 0.00 O ATOM 339 CB LEU A 763 -15.092 -0.979 2.048 1.00 0.00 C ATOM 340 CG LEU A 763 -13.852 -0.847 2.933 1.00 0.00 C ATOM 341 CD1 LEU A 763 -13.791 -1.985 3.939 1.00 0.00 C ATOM 342 CD2 LEU A 763 -12.591 -0.816 2.082 1.00 0.00 C ATOM 0 HA LEU A 763 -14.642 0.495 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 763 -15.940 -1.237 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 763 -14.939 -1.814 1.365 1.00 0.00 H new ATOM 0 HG LEU A 763 -13.919 0.092 3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 763 -12.902 -1.874 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 763 -14.680 -1.961 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 763 -13.748 -2.937 3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 763 -11.718 -0.722 2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 763 -12.518 -1.738 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 763 -12.632 0.034 1.401 1.00 0.00 H new ATOM 354 N VAL A 764 -16.632 0.283 -0.901 1.00 0.00 N ATOM 355 CA VAL A 764 -17.749 0.055 -1.810 1.00 0.00 C ATOM 356 C VAL A 764 -17.332 -0.823 -2.984 1.00 0.00 C ATOM 357 O VAL A 764 -16.157 -1.163 -3.132 1.00 0.00 O ATOM 358 CB VAL A 764 -18.312 1.383 -2.351 1.00 0.00 C ATOM 359 CG1 VAL A 764 -18.835 2.245 -1.213 1.00 0.00 C ATOM 360 CG2 VAL A 764 -17.251 2.125 -3.150 1.00 0.00 C ATOM 0 H VAL A 764 -15.809 0.698 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 764 -18.524 -0.454 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 764 -19.145 1.160 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 764 -19.229 3.179 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 764 -19.628 1.713 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 764 -18.023 2.462 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 764 -17.666 3.061 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 764 -16.396 2.338 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 764 -16.930 1.508 -3.990 1.00 0.00 H new ATOM 370 N ARG A 765 -18.301 -1.188 -3.817 1.00 0.00 N ATOM 371 CA ARG A 765 -18.034 -2.028 -4.979 1.00 0.00 C ATOM 372 C ARG A 765 -17.023 -1.364 -5.909 1.00 0.00 C ATOM 373 O ARG A 765 -17.203 -0.220 -6.323 1.00 0.00 O ATOM 374 CB ARG A 765 -19.331 -2.313 -5.737 1.00 0.00 C ATOM 375 CG ARG A 765 -20.258 -3.280 -5.019 1.00 0.00 C ATOM 376 CD ARG A 765 -21.492 -3.591 -5.850 1.00 0.00 C ATOM 377 NE ARG A 765 -22.397 -2.447 -5.935 1.00 0.00 N ATOM 378 CZ ARG A 765 -23.523 -2.452 -6.640 1.00 0.00 C ATOM 379 NH1 ARG A 765 -23.881 -3.534 -7.317 1.00 0.00 N ATOM 380 NH2 ARG A 765 -24.294 -1.372 -6.668 1.00 0.00 N ATOM 0 H ARG A 765 -19.278 -0.915 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 765 -17.613 -2.970 -4.627 1.00 0.00 H new ATOM 0 HB2 ARG A 765 -19.858 -1.374 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 765 -19.086 -2.719 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 765 -19.723 -4.204 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 765 -20.560 -2.853 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 765 -21.188 -3.888 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 765 -22.019 -4.439 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 765 -22.151 -1.598 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 765 -23.291 -4.366 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 765 -24.746 -3.535 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 765 -24.022 -0.538 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 765 -25.158 -1.376 -7.209 1.00 0.00 H new ATOM 394 N GLY A 766 -15.958 -2.092 -6.233 1.00 0.00 N ATOM 395 CA GLY A 766 -14.934 -1.557 -7.111 1.00 0.00 C ATOM 396 C GLY A 766 -13.791 -0.919 -6.348 1.00 0.00 C ATOM 397 O GLY A 766 -12.714 -0.697 -6.900 1.00 0.00 O ATOM 0 H GLY A 766 -15.787 -3.042 -5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -14.545 -2.358 -7.740 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -15.380 -0.818 -7.776 1.00 0.00 H new ATOM 401 N ALA A 767 -14.026 -0.620 -5.074 1.00 0.00 N ATOM 402 CA ALA A 767 -13.007 -0.004 -4.234 1.00 0.00 C ATOM 403 C ALA A 767 -11.777 -0.897 -4.117 1.00 0.00 C ATOM 404 O ALA A 767 -11.893 -2.118 -4.003 1.00 0.00 O ATOM 405 CB ALA A 767 -13.573 0.300 -2.855 1.00 0.00 C ATOM 0 H ALA A 767 -14.913 -0.795 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 767 -12.701 0.931 -4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 767 -12.801 0.760 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 767 -14.416 0.984 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 767 -13.908 -0.626 -2.387 1.00 0.00 H new ATOM 411 N ARG A 768 -10.599 -0.282 -4.148 1.00 0.00 N ATOM 412 CA ARG A 768 -9.347 -1.023 -4.047 1.00 0.00 C ATOM 413 C ARG A 768 -8.459 -0.444 -2.950 1.00 0.00 C ATOM 414 O ARG A 768 -8.428 0.768 -2.738 1.00 0.00 O ATOM 415 CB ARG A 768 -8.605 -0.996 -5.385 1.00 0.00 C ATOM 416 CG ARG A 768 -7.934 0.334 -5.682 1.00 0.00 C ATOM 417 CD ARG A 768 -7.446 0.403 -7.121 1.00 0.00 C ATOM 418 NE ARG A 768 -7.223 1.779 -7.558 1.00 0.00 N ATOM 419 CZ ARG A 768 -6.105 2.454 -7.318 1.00 0.00 C ATOM 420 NH1 ARG A 768 -5.113 1.883 -6.649 1.00 0.00 N ATOM 421 NH2 ARG A 768 -5.977 3.702 -7.749 1.00 0.00 N ATOM 0 H ARG A 768 -10.485 0.727 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 768 -9.585 -2.055 -3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 768 -7.851 -1.783 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 768 -9.308 -1.225 -6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 768 -8.636 1.147 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 768 -7.093 0.478 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 768 -6.519 -0.163 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 768 -8.178 -0.071 -7.775 1.00 0.00 H new ATOM 0 HE ARG A 768 -7.967 2.247 -8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 768 -5.208 0.923 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 768 -4.255 2.404 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 768 -6.738 4.144 -8.265 1.00 0.00 H new ATOM 0 HH22 ARG A 768 -5.118 4.220 -7.564 1.00 0.00 H new ATOM 435 N ILE A 769 -7.741 -1.319 -2.254 1.00 0.00 N ATOM 436 CA ILE A 769 -6.853 -0.895 -1.179 1.00 0.00 C ATOM 437 C ILE A 769 -5.390 -1.013 -1.596 1.00 0.00 C ATOM 438 O ILE A 769 -4.956 -2.053 -2.091 1.00 0.00 O ATOM 439 CB ILE A 769 -7.079 -1.724 0.098 1.00 0.00 C ATOM 440 CG1 ILE A 769 -8.468 -1.442 0.676 1.00 0.00 C ATOM 441 CG2 ILE A 769 -6.000 -1.418 1.127 1.00 0.00 C ATOM 442 CD1 ILE A 769 -8.893 -2.432 1.738 1.00 0.00 C ATOM 0 H ILE A 769 -7.757 -2.326 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 769 -7.086 0.149 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 769 -7.020 -2.782 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 769 -8.479 -0.438 1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 769 -9.198 -1.453 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 769 -6.174 -2.012 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 769 -5.022 -1.664 0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 769 -6.030 -0.359 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 769 -9.886 -2.171 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 769 -8.915 -3.435 1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 769 -8.184 -2.404 2.566 1.00 0.00 H new ATOM 454 N THR A 770 -4.633 0.061 -1.389 1.00 0.00 N ATOM 455 CA THR A 770 -3.219 0.078 -1.742 1.00 0.00 C ATOM 456 C THR A 770 -2.348 -0.248 -0.535 1.00 0.00 C ATOM 457 O THR A 770 -2.387 0.451 0.478 1.00 0.00 O ATOM 458 CB THR A 770 -2.799 1.447 -2.310 1.00 0.00 C ATOM 459 OG1 THR A 770 -3.603 1.772 -3.450 1.00 0.00 O ATOM 460 CG2 THR A 770 -1.330 1.441 -2.704 1.00 0.00 C ATOM 0 H THR A 770 -4.976 0.930 -0.979 1.00 0.00 H new ATOM 0 HA THR A 770 -3.074 -0.684 -2.507 1.00 0.00 H new ATOM 0 HB THR A 770 -2.948 2.199 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 770 -3.331 2.644 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 770 -1.056 2.418 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 770 -0.719 1.222 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 770 -1.160 0.679 -3.464 1.00 0.00 H new ATOM 468 N TYR A 771 -1.561 -1.312 -0.649 1.00 0.00 N ATOM 469 CA TYR A 771 -0.680 -1.732 0.434 1.00 0.00 C ATOM 470 C TYR A 771 0.744 -1.235 0.202 1.00 0.00 C ATOM 471 O TYR A 771 1.385 -1.597 -0.784 1.00 0.00 O ATOM 472 CB TYR A 771 -0.686 -3.256 0.564 1.00 0.00 C ATOM 473 CG TYR A 771 -1.852 -3.791 1.365 1.00 0.00 C ATOM 474 CD1 TYR A 771 -1.768 -3.925 2.745 1.00 0.00 C ATOM 475 CD2 TYR A 771 -3.036 -4.163 0.741 1.00 0.00 C ATOM 476 CE1 TYR A 771 -2.830 -4.414 3.481 1.00 0.00 C ATOM 477 CE2 TYR A 771 -4.104 -4.652 1.469 1.00 0.00 C ATOM 478 CZ TYR A 771 -3.996 -4.775 2.839 1.00 0.00 C ATOM 479 OH TYR A 771 -5.056 -5.263 3.567 1.00 0.00 O ATOM 0 H TYR A 771 -1.515 -1.900 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 771 -1.052 -1.294 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 771 -0.708 -3.697 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 771 0.244 -3.576 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 771 -0.857 -3.642 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 771 -3.123 -4.068 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 771 -2.748 -4.513 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 771 -5.018 -4.936 0.968 1.00 0.00 H new ATOM 0 HH TYR A 771 -5.712 -4.549 3.709 1.00 0.00 H new ATOM 489 N GLN A 772 1.231 -0.405 1.118 1.00 0.00 N ATOM 490 CA GLN A 772 2.579 0.141 1.014 1.00 0.00 C ATOM 491 C GLN A 772 3.469 -0.390 2.132 1.00 0.00 C ATOM 492 O GLN A 772 3.028 -0.543 3.272 1.00 0.00 O ATOM 493 CB GLN A 772 2.537 1.670 1.061 1.00 0.00 C ATOM 494 CG GLN A 772 3.849 2.327 0.662 1.00 0.00 C ATOM 495 CD GLN A 772 4.164 2.152 -0.811 1.00 0.00 C ATOM 496 OE1 GLN A 772 4.362 1.034 -1.287 1.00 0.00 O ATOM 497 NE2 GLN A 772 4.212 3.260 -1.541 1.00 0.00 N ATOM 0 H GLN A 772 0.713 -0.096 1.940 1.00 0.00 H new ATOM 0 HA GLN A 772 3.000 -0.175 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 772 1.747 2.024 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 772 2.273 1.987 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 772 3.805 3.391 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 772 4.659 1.903 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 772 4.041 4.166 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 772 4.420 3.205 -2.538 1.00 0.00 H new ATOM 506 N CYS A 773 4.725 -0.669 1.799 1.00 0.00 N ATOM 507 CA CYS A 773 5.679 -1.184 2.775 1.00 0.00 C ATOM 508 C CYS A 773 6.863 -0.234 2.931 1.00 0.00 C ATOM 509 O CYS A 773 6.986 0.747 2.198 1.00 0.00 O ATOM 510 CB CYS A 773 6.174 -2.569 2.353 1.00 0.00 C ATOM 511 SG CYS A 773 4.870 -3.839 2.294 1.00 0.00 S ATOM 0 H CYS A 773 5.106 -0.547 0.861 1.00 0.00 H new ATOM 0 HA CYS A 773 5.171 -1.264 3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 773 6.637 -2.493 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 773 6.950 -2.892 3.047 1.00 0.00 H new ATOM 516 N ASP A 774 7.730 -0.533 3.892 1.00 0.00 N ATOM 517 CA ASP A 774 8.906 0.293 4.145 1.00 0.00 C ATOM 518 C ASP A 774 9.807 0.347 2.915 1.00 0.00 C ATOM 519 O ASP A 774 9.760 -0.521 2.042 1.00 0.00 O ATOM 520 CB ASP A 774 9.688 -0.249 5.342 1.00 0.00 C ATOM 521 CG ASP A 774 9.094 0.187 6.667 1.00 0.00 C ATOM 522 OD1 ASP A 774 7.861 0.072 6.832 1.00 0.00 O ATOM 523 OD2 ASP A 774 9.862 0.644 7.539 1.00 0.00 O ATOM 0 H ASP A 774 7.641 -1.341 4.509 1.00 0.00 H new ATOM 0 HA ASP A 774 8.568 1.304 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 774 9.707 -1.338 5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 774 10.722 0.091 5.281 1.00 0.00 H new ATOM 528 N PRO A 775 10.647 1.390 2.842 1.00 0.00 N ATOM 529 CA PRO A 775 11.574 1.582 1.723 1.00 0.00 C ATOM 530 C PRO A 775 12.698 0.552 1.718 1.00 0.00 C ATOM 531 O PRO A 775 13.611 0.611 2.539 1.00 0.00 O ATOM 532 CB PRO A 775 12.136 2.985 1.966 1.00 0.00 C ATOM 533 CG PRO A 775 11.999 3.199 3.434 1.00 0.00 C ATOM 534 CD PRO A 775 10.756 2.462 3.846 1.00 0.00 C ATOM 0 HA PRO A 775 11.079 1.467 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 775 13.177 3.054 1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 775 11.582 3.736 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 775 12.872 2.821 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 775 11.919 4.261 3.668 1.00 0.00 H new ATOM 0 HD2 PRO A 775 10.843 2.060 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 775 9.881 3.112 3.836 1.00 0.00 H new ATOM 542 N GLY A 776 12.624 -0.393 0.785 1.00 0.00 N ATOM 543 CA GLY A 776 13.642 -1.423 0.691 1.00 0.00 C ATOM 544 C GLY A 776 13.063 -2.821 0.789 1.00 0.00 C ATOM 545 O GLY A 776 13.797 -3.809 0.745 1.00 0.00 O ATOM 0 H GLY A 776 11.878 -0.463 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 776 14.174 -1.319 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 776 14.374 -1.280 1.486 1.00 0.00 H new ATOM 549 N TYR A 777 11.745 -2.905 0.926 1.00 0.00 N ATOM 550 CA TYR A 777 11.068 -4.192 1.035 1.00 0.00 C ATOM 551 C TYR A 777 10.150 -4.429 -0.160 1.00 0.00 C ATOM 552 O TYR A 777 9.911 -3.525 -0.962 1.00 0.00 O ATOM 553 CB TYR A 777 10.262 -4.259 2.333 1.00 0.00 C ATOM 554 CG TYR A 777 11.119 -4.294 3.578 1.00 0.00 C ATOM 555 CD1 TYR A 777 11.847 -3.179 3.976 1.00 0.00 C ATOM 556 CD2 TYR A 777 11.201 -5.442 4.357 1.00 0.00 C ATOM 557 CE1 TYR A 777 12.632 -3.207 5.112 1.00 0.00 C ATOM 558 CE2 TYR A 777 11.983 -5.479 5.495 1.00 0.00 C ATOM 559 CZ TYR A 777 12.697 -4.359 5.868 1.00 0.00 C ATOM 560 OH TYR A 777 13.477 -4.391 7.001 1.00 0.00 O ATOM 0 H TYR A 777 11.124 -2.097 0.964 1.00 0.00 H new ATOM 0 HA TYR A 777 11.828 -4.973 1.046 1.00 0.00 H new ATOM 0 HB2 TYR A 777 9.598 -3.396 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 777 9.630 -5.147 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 777 11.798 -2.275 3.387 1.00 0.00 H new ATOM 0 HD2 TYR A 777 10.644 -6.321 4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 777 13.192 -2.332 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 777 12.035 -6.379 6.089 1.00 0.00 H new ATOM 0 HH TYR A 777 13.411 -5.275 7.418 1.00 0.00 H new ATOM 570 N ASP A 778 9.638 -5.649 -0.272 1.00 0.00 N ATOM 571 CA ASP A 778 8.744 -6.006 -1.367 1.00 0.00 C ATOM 572 C ASP A 778 7.480 -6.678 -0.841 1.00 0.00 C ATOM 573 O ASP A 778 7.483 -7.267 0.241 1.00 0.00 O ATOM 574 CB ASP A 778 9.457 -6.934 -2.353 1.00 0.00 C ATOM 575 CG ASP A 778 10.507 -6.211 -3.173 1.00 0.00 C ATOM 576 OD1 ASP A 778 10.154 -5.223 -3.851 1.00 0.00 O ATOM 577 OD2 ASP A 778 11.682 -6.633 -3.137 1.00 0.00 O ATOM 0 H ASP A 778 9.827 -6.408 0.383 1.00 0.00 H new ATOM 0 HA ASP A 778 8.458 -5.089 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 778 9.927 -7.750 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 778 8.722 -7.382 -3.022 1.00 0.00 H new ATOM 582 N ILE A 779 6.401 -6.584 -1.611 1.00 0.00 N ATOM 583 CA ILE A 779 5.131 -7.182 -1.221 1.00 0.00 C ATOM 584 C ILE A 779 4.940 -8.545 -1.878 1.00 0.00 C ATOM 585 O ILE A 779 5.182 -8.709 -3.074 1.00 0.00 O ATOM 586 CB ILE A 779 3.943 -6.275 -1.593 1.00 0.00 C ATOM 587 CG1 ILE A 779 3.960 -5.002 -0.744 1.00 0.00 C ATOM 588 CG2 ILE A 779 2.630 -7.021 -1.414 1.00 0.00 C ATOM 589 CD1 ILE A 779 2.863 -4.023 -1.101 1.00 0.00 C ATOM 0 H ILE A 779 6.381 -6.099 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 779 5.160 -7.304 -0.138 1.00 0.00 H new ATOM 0 HB ILE A 779 4.036 -5.991 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 779 3.865 -5.275 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 779 4.926 -4.511 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 779 1.800 -6.366 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 779 2.620 -7.900 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 779 2.527 -7.332 -0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 779 2.936 -3.145 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 779 2.970 -3.721 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 779 1.892 -4.497 -0.958 1.00 0.00 H new ATOM 601 N VAL A 780 4.503 -9.521 -1.089 1.00 0.00 N ATOM 602 CA VAL A 780 4.277 -10.870 -1.594 1.00 0.00 C ATOM 603 C VAL A 780 2.787 -11.159 -1.742 1.00 0.00 C ATOM 604 O VAL A 780 2.071 -11.301 -0.752 1.00 0.00 O ATOM 605 CB VAL A 780 4.905 -11.929 -0.669 1.00 0.00 C ATOM 606 CG1 VAL A 780 4.680 -13.326 -1.226 1.00 0.00 C ATOM 607 CG2 VAL A 780 6.389 -11.655 -0.477 1.00 0.00 C ATOM 0 H VAL A 780 4.298 -9.403 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 780 4.754 -10.925 -2.573 1.00 0.00 H new ATOM 0 HB VAL A 780 4.419 -11.870 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 780 5.131 -14.061 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 780 3.610 -13.518 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 780 5.138 -13.403 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 780 6.817 -12.413 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 780 6.893 -11.685 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 780 6.522 -10.670 -0.029 1.00 0.00 H new ATOM 617 N GLY A 781 2.327 -11.244 -2.986 1.00 0.00 N ATOM 618 CA GLY A 781 0.924 -11.516 -3.241 1.00 0.00 C ATOM 619 C GLY A 781 0.295 -10.495 -4.167 1.00 0.00 C ATOM 620 O GLY A 781 0.945 -9.994 -5.084 1.00 0.00 O ATOM 0 H GLY A 781 2.900 -11.129 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 781 0.823 -12.509 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 781 0.382 -11.527 -2.296 1.00 0.00 H new ATOM 624 N SER A 782 -0.976 -10.186 -3.929 1.00 0.00 N ATOM 625 CA SER A 782 -1.696 -9.222 -4.752 1.00 0.00 C ATOM 626 C SER A 782 -1.584 -7.817 -4.167 1.00 0.00 C ATOM 627 O SER A 782 -2.339 -7.445 -3.269 1.00 0.00 O ATOM 628 CB SER A 782 -3.168 -9.621 -4.872 1.00 0.00 C ATOM 629 OG SER A 782 -3.315 -10.805 -5.636 1.00 0.00 O ATOM 0 H SER A 782 -1.528 -10.590 -3.172 1.00 0.00 H new ATOM 0 HA SER A 782 -1.245 -9.220 -5.744 1.00 0.00 H new ATOM 0 HB2 SER A 782 -3.589 -9.771 -3.878 1.00 0.00 H new ATOM 0 HB3 SER A 782 -3.731 -8.812 -5.338 1.00 0.00 H new ATOM 0 HG SER A 782 -4.265 -11.040 -5.696 1.00 0.00 H new ATOM 635 N ASP A 783 -0.636 -7.043 -4.683 1.00 0.00 N ATOM 636 CA ASP A 783 -0.424 -5.679 -4.213 1.00 0.00 C ATOM 637 C ASP A 783 -1.748 -4.928 -4.110 1.00 0.00 C ATOM 638 O ASP A 783 -1.999 -4.221 -3.133 1.00 0.00 O ATOM 639 CB ASP A 783 0.526 -4.935 -5.153 1.00 0.00 C ATOM 640 CG ASP A 783 0.209 -5.186 -6.614 1.00 0.00 C ATOM 641 OD1 ASP A 783 0.487 -6.303 -7.098 1.00 0.00 O ATOM 642 OD2 ASP A 783 -0.316 -4.265 -7.275 1.00 0.00 O ATOM 0 H ASP A 783 -0.002 -7.336 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 783 0.024 -5.728 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 783 0.469 -3.865 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 783 1.551 -5.244 -4.948 1.00 0.00 H new ATOM 647 N THR A 784 -2.592 -5.084 -5.125 1.00 0.00 N ATOM 648 CA THR A 784 -3.889 -4.420 -5.149 1.00 0.00 C ATOM 649 C THR A 784 -5.018 -5.408 -4.882 1.00 0.00 C ATOM 650 O THR A 784 -4.985 -6.546 -5.351 1.00 0.00 O ATOM 651 CB THR A 784 -4.139 -3.725 -6.502 1.00 0.00 C ATOM 652 OG1 THR A 784 -2.962 -3.022 -6.916 1.00 0.00 O ATOM 653 CG2 THR A 784 -5.307 -2.756 -6.404 1.00 0.00 C ATOM 0 H THR A 784 -2.400 -5.665 -5.941 1.00 0.00 H new ATOM 0 HA THR A 784 -3.874 -3.668 -4.360 1.00 0.00 H new ATOM 0 HB THR A 784 -4.383 -4.490 -7.239 1.00 0.00 H new ATOM 0 HG1 THR A 784 -2.250 -3.665 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 784 -5.465 -2.277 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 784 -6.207 -3.299 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 784 -5.087 -1.996 -5.654 1.00 0.00 H new ATOM 661 N LEU A 785 -6.018 -4.967 -4.127 1.00 0.00 N ATOM 662 CA LEU A 785 -7.160 -5.813 -3.798 1.00 0.00 C ATOM 663 C LEU A 785 -8.471 -5.127 -4.168 1.00 0.00 C ATOM 664 O LEU A 785 -8.872 -4.148 -3.538 1.00 0.00 O ATOM 665 CB LEU A 785 -7.153 -6.155 -2.307 1.00 0.00 C ATOM 666 CG LEU A 785 -6.188 -7.261 -1.876 1.00 0.00 C ATOM 667 CD1 LEU A 785 -4.785 -6.973 -2.385 1.00 0.00 C ATOM 668 CD2 LEU A 785 -6.188 -7.409 -0.362 1.00 0.00 C ATOM 0 H LEU A 785 -6.061 -4.028 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 785 -7.078 -6.733 -4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 785 -6.910 -5.251 -1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 785 -8.162 -6.448 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 785 -6.525 -8.201 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 785 -4.112 -7.770 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 785 -4.797 -6.919 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 785 -4.438 -6.023 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 785 -5.496 -8.200 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 785 -5.876 -6.470 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 785 -7.192 -7.663 -0.021 1.00 0.00 H new ATOM 680 N THR A 786 -9.137 -5.649 -5.193 1.00 0.00 N ATOM 681 CA THR A 786 -10.403 -5.088 -5.647 1.00 0.00 C ATOM 682 C THR A 786 -11.584 -5.809 -5.007 1.00 0.00 C ATOM 683 O THR A 786 -11.489 -6.983 -4.650 1.00 0.00 O ATOM 684 CB THR A 786 -10.537 -5.169 -7.179 1.00 0.00 C ATOM 685 OG1 THR A 786 -9.315 -4.752 -7.800 1.00 0.00 O ATOM 686 CG2 THR A 786 -11.683 -4.297 -7.669 1.00 0.00 C ATOM 0 H THR A 786 -8.820 -6.460 -5.725 1.00 0.00 H new ATOM 0 HA THR A 786 -10.411 -4.041 -5.344 1.00 0.00 H new ATOM 0 HB THR A 786 -10.748 -6.204 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 786 -9.407 -4.808 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 786 -11.758 -4.371 -8.754 1.00 0.00 H new ATOM 0 HG22 THR A 786 -12.616 -4.634 -7.217 1.00 0.00 H new ATOM 0 HG23 THR A 786 -11.498 -3.260 -7.388 1.00 0.00 H new ATOM 694 N CYS A 787 -12.698 -5.098 -4.865 1.00 0.00 N ATOM 695 CA CYS A 787 -13.899 -5.670 -4.268 1.00 0.00 C ATOM 696 C CYS A 787 -14.821 -6.242 -5.341 1.00 0.00 C ATOM 697 O CYS A 787 -15.295 -5.517 -6.216 1.00 0.00 O ATOM 698 CB CYS A 787 -14.643 -4.610 -3.453 1.00 0.00 C ATOM 699 SG CYS A 787 -15.925 -5.285 -2.349 1.00 0.00 S ATOM 0 H CYS A 787 -12.794 -4.125 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 787 -13.595 -6.481 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 787 -13.921 -4.053 -2.856 1.00 0.00 H new ATOM 0 HB3 CYS A 787 -15.106 -3.899 -4.138 1.00 0.00 H new ATOM 704 N GLN A 788 -15.069 -7.545 -5.267 1.00 0.00 N ATOM 705 CA GLN A 788 -15.934 -8.214 -6.232 1.00 0.00 C ATOM 706 C GLN A 788 -17.394 -7.832 -6.012 1.00 0.00 C ATOM 707 O GLN A 788 -17.714 -7.060 -5.108 1.00 0.00 O ATOM 708 CB GLN A 788 -15.771 -9.732 -6.129 1.00 0.00 C ATOM 709 CG GLN A 788 -14.447 -10.240 -6.678 1.00 0.00 C ATOM 710 CD GLN A 788 -14.486 -11.716 -7.021 1.00 0.00 C ATOM 711 OE1 GLN A 788 -15.546 -12.343 -6.998 1.00 0.00 O ATOM 712 NE2 GLN A 788 -13.328 -12.281 -7.341 1.00 0.00 N ATOM 0 H GLN A 788 -14.684 -8.159 -4.549 1.00 0.00 H new ATOM 0 HA GLN A 788 -15.639 -7.891 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 788 -15.859 -10.029 -5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 788 -16.587 -10.214 -6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 788 -14.185 -9.670 -7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 788 -13.661 -10.062 -5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 788 -12.473 -11.724 -7.347 1.00 0.00 H new ATOM 0 HE22 GLN A 788 -13.293 -13.272 -7.580 1.00 0.00 H new ATOM 721 N TRP A 789 -18.274 -8.376 -6.844 1.00 0.00 N ATOM 722 CA TRP A 789 -19.701 -8.091 -6.740 1.00 0.00 C ATOM 723 C TRP A 789 -20.299 -8.752 -5.503 1.00 0.00 C ATOM 724 O TRP A 789 -21.409 -8.420 -5.087 1.00 0.00 O ATOM 725 CB TRP A 789 -20.430 -8.574 -7.995 1.00 0.00 C ATOM 726 CG TRP A 789 -19.617 -8.435 -9.246 1.00 0.00 C ATOM 727 CD1 TRP A 789 -18.785 -9.371 -9.790 1.00 0.00 C ATOM 728 CD2 TRP A 789 -19.556 -7.293 -10.107 1.00 0.00 C ATOM 729 NE1 TRP A 789 -18.210 -8.880 -10.938 1.00 0.00 N ATOM 730 CE2 TRP A 789 -18.668 -7.607 -11.154 1.00 0.00 C ATOM 731 CE3 TRP A 789 -20.166 -6.036 -10.096 1.00 0.00 C ATOM 732 CZ2 TRP A 789 -18.376 -6.709 -12.177 1.00 0.00 C ATOM 733 CZ3 TRP A 789 -19.876 -5.145 -11.112 1.00 0.00 C ATOM 734 CH2 TRP A 789 -18.988 -5.485 -12.141 1.00 0.00 C ATOM 0 H TRP A 789 -18.025 -9.017 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 789 -19.826 -7.012 -6.648 1.00 0.00 H new ATOM 0 HB2 TRP A 789 -20.707 -9.620 -7.865 1.00 0.00 H new ATOM 0 HB3 TRP A 789 -21.356 -8.010 -8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 789 -18.605 -10.353 -9.379 1.00 0.00 H new ATOM 0 HE1 TRP A 789 -17.550 -9.382 -11.532 1.00 0.00 H new ATOM 0 HE3 TRP A 789 -20.852 -5.765 -9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 789 -17.691 -6.969 -12.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 789 -20.342 -4.171 -11.113 1.00 0.00 H new ATOM 0 HH2 TRP A 789 -18.782 -4.767 -12.921 1.00 0.00 H new ATOM 745 N ASP A 790 -19.558 -9.688 -4.921 1.00 0.00 N ATOM 746 CA ASP A 790 -20.016 -10.394 -3.730 1.00 0.00 C ATOM 747 C ASP A 790 -19.343 -9.841 -2.477 1.00 0.00 C ATOM 748 O ASP A 790 -19.267 -10.517 -1.450 1.00 0.00 O ATOM 749 CB ASP A 790 -19.731 -11.891 -3.858 1.00 0.00 C ATOM 750 CG ASP A 790 -20.426 -12.513 -5.053 1.00 0.00 C ATOM 751 OD1 ASP A 790 -21.673 -12.567 -5.052 1.00 0.00 O ATOM 752 OD2 ASP A 790 -19.722 -12.945 -5.990 1.00 0.00 O ATOM 0 H ASP A 790 -18.638 -9.976 -5.254 1.00 0.00 H new ATOM 0 HA ASP A 790 -21.092 -10.243 -3.639 1.00 0.00 H new ATOM 0 HB2 ASP A 790 -18.656 -12.047 -3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 790 -20.054 -12.398 -2.949 1.00 0.00 H new ATOM 757 N LEU A 791 -18.856 -8.608 -2.570 1.00 0.00 N ATOM 758 CA LEU A 791 -18.188 -7.964 -1.444 1.00 0.00 C ATOM 759 C LEU A 791 -17.059 -8.839 -0.907 1.00 0.00 C ATOM 760 O LEU A 791 -16.694 -8.748 0.265 1.00 0.00 O ATOM 761 CB LEU A 791 -19.193 -7.668 -0.330 1.00 0.00 C ATOM 762 CG LEU A 791 -20.275 -6.638 -0.659 1.00 0.00 C ATOM 763 CD1 LEU A 791 -21.161 -6.389 0.551 1.00 0.00 C ATOM 764 CD2 LEU A 791 -19.646 -5.338 -1.138 1.00 0.00 C ATOM 0 H LEU A 791 -18.911 -8.035 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 791 -17.759 -7.026 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 791 -19.681 -8.602 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 791 -18.644 -7.321 0.545 1.00 0.00 H new ATOM 0 HG LEU A 791 -20.895 -7.036 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 791 -21.925 -5.654 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 791 -21.640 -7.322 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 791 -20.554 -6.013 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 791 -20.431 -4.617 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 791 -19.001 -4.936 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 791 -19.055 -5.528 -2.034 1.00 0.00 H new ATOM 776 N SER A 792 -16.510 -9.685 -1.772 1.00 0.00 N ATOM 777 CA SER A 792 -15.424 -10.577 -1.384 1.00 0.00 C ATOM 778 C SER A 792 -14.133 -10.210 -2.111 1.00 0.00 C ATOM 779 O SER A 792 -14.086 -10.184 -3.340 1.00 0.00 O ATOM 780 CB SER A 792 -15.797 -12.030 -1.686 1.00 0.00 C ATOM 781 OG SER A 792 -17.124 -12.311 -1.277 1.00 0.00 O ATOM 0 H SER A 792 -16.799 -9.772 -2.746 1.00 0.00 H new ATOM 0 HA SER A 792 -15.261 -10.466 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 792 -15.694 -12.221 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 792 -15.106 -12.700 -1.175 1.00 0.00 H new ATOM 0 HG SER A 792 -17.719 -11.593 -1.580 1.00 0.00 H new ATOM 787 N TRP A 793 -13.089 -9.928 -1.341 1.00 0.00 N ATOM 788 CA TRP A 793 -11.797 -9.562 -1.910 1.00 0.00 C ATOM 789 C TRP A 793 -11.231 -10.700 -2.752 1.00 0.00 C ATOM 790 O TRP A 793 -11.274 -11.862 -2.350 1.00 0.00 O ATOM 791 CB TRP A 793 -10.812 -9.195 -0.798 1.00 0.00 C ATOM 792 CG TRP A 793 -11.230 -7.993 -0.007 1.00 0.00 C ATOM 793 CD1 TRP A 793 -11.639 -7.972 1.296 1.00 0.00 C ATOM 794 CD2 TRP A 793 -11.283 -6.639 -0.468 1.00 0.00 C ATOM 795 NE1 TRP A 793 -11.942 -6.685 1.673 1.00 0.00 N ATOM 796 CE2 TRP A 793 -11.731 -5.849 0.609 1.00 0.00 C ATOM 797 CE3 TRP A 793 -10.993 -6.017 -1.685 1.00 0.00 C ATOM 798 CZ2 TRP A 793 -11.896 -4.471 0.502 1.00 0.00 C ATOM 799 CZ3 TRP A 793 -11.158 -4.648 -1.789 1.00 0.00 C ATOM 800 CH2 TRP A 793 -11.605 -3.888 -0.701 1.00 0.00 C ATOM 0 H TRP A 793 -13.111 -9.946 -0.321 1.00 0.00 H new ATOM 0 HA TRP A 793 -11.945 -8.696 -2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 793 -10.703 -10.045 -0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 793 -9.832 -9.009 -1.237 1.00 0.00 H new ATOM 0 HD1 TRP A 793 -11.713 -8.839 1.936 1.00 0.00 H new ATOM 0 HE1 TRP A 793 -12.271 -6.399 2.595 1.00 0.00 H new ATOM 0 HE3 TRP A 793 -10.646 -6.595 -2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 793 -12.242 -3.883 1.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 793 -10.938 -4.157 -2.725 1.00 0.00 H new ATOM 0 HH2 TRP A 793 -11.722 -2.820 -0.814 1.00 0.00 H new ATOM 811 N SER A 794 -10.701 -10.358 -3.922 1.00 0.00 N ATOM 812 CA SER A 794 -10.130 -11.352 -4.823 1.00 0.00 C ATOM 813 C SER A 794 -9.382 -12.427 -4.040 1.00 0.00 C ATOM 814 O SER A 794 -9.516 -13.619 -4.318 1.00 0.00 O ATOM 815 CB SER A 794 -9.186 -10.683 -5.823 1.00 0.00 C ATOM 816 OG SER A 794 -9.123 -11.415 -7.034 1.00 0.00 O ATOM 0 H SER A 794 -10.655 -9.400 -4.268 1.00 0.00 H new ATOM 0 HA SER A 794 -10.947 -11.825 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 794 -9.526 -9.668 -6.026 1.00 0.00 H new ATOM 0 HB3 SER A 794 -8.189 -10.604 -5.390 1.00 0.00 H new ATOM 0 HG SER A 794 -8.514 -10.965 -7.657 1.00 0.00 H new ATOM 822 N SER A 795 -8.593 -11.997 -3.061 1.00 0.00 N ATOM 823 CA SER A 795 -7.820 -12.921 -2.240 1.00 0.00 C ATOM 824 C SER A 795 -7.380 -12.255 -0.940 1.00 0.00 C ATOM 825 O SER A 795 -7.686 -11.089 -0.692 1.00 0.00 O ATOM 826 CB SER A 795 -6.596 -13.420 -3.011 1.00 0.00 C ATOM 827 OG SER A 795 -6.978 -14.268 -4.080 1.00 0.00 O ATOM 0 H SER A 795 -8.472 -11.014 -2.817 1.00 0.00 H new ATOM 0 HA SER A 795 -8.457 -13.771 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 795 -6.035 -12.570 -3.400 1.00 0.00 H new ATOM 0 HB3 SER A 795 -5.931 -13.958 -2.335 1.00 0.00 H new ATOM 0 HG SER A 795 -7.944 -14.429 -4.041 1.00 0.00 H new ATOM 833 N ASP A 796 -6.659 -13.004 -0.114 1.00 0.00 N ATOM 834 CA ASP A 796 -6.174 -12.488 1.161 1.00 0.00 C ATOM 835 C ASP A 796 -5.168 -11.361 0.944 1.00 0.00 C ATOM 836 O ASP A 796 -4.544 -11.248 -0.111 1.00 0.00 O ATOM 837 CB ASP A 796 -5.533 -13.609 1.980 1.00 0.00 C ATOM 838 CG ASP A 796 -6.533 -14.320 2.871 1.00 0.00 C ATOM 839 OD1 ASP A 796 -7.496 -13.664 3.321 1.00 0.00 O ATOM 840 OD2 ASP A 796 -6.353 -15.530 3.118 1.00 0.00 O ATOM 0 H ASP A 796 -6.397 -13.971 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 796 -7.027 -12.090 1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 796 -5.074 -14.331 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 796 -4.734 -13.195 2.594 1.00 0.00 H new ATOM 845 N PRO A 797 -5.007 -10.507 1.965 1.00 0.00 N ATOM 846 CA PRO A 797 -4.079 -9.373 1.909 1.00 0.00 C ATOM 847 C PRO A 797 -2.620 -9.818 1.923 1.00 0.00 C ATOM 848 O PRO A 797 -2.237 -10.751 2.628 1.00 0.00 O ATOM 849 CB PRO A 797 -4.408 -8.582 3.178 1.00 0.00 C ATOM 850 CG PRO A 797 -4.985 -9.589 4.113 1.00 0.00 C ATOM 851 CD PRO A 797 -5.718 -10.581 3.252 1.00 0.00 C ATOM 0 HA PRO A 797 -4.193 -8.798 0.990 1.00 0.00 H new ATOM 0 HB2 PRO A 797 -3.516 -8.118 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 797 -5.118 -7.781 2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 797 -4.202 -10.078 4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 797 -5.661 -9.117 4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 797 -5.680 -11.585 3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 797 -6.771 -10.320 3.145 1.00 0.00 H new ATOM 859 N PRO A 798 -1.785 -9.135 1.125 1.00 0.00 N ATOM 860 CA PRO A 798 -0.355 -9.441 1.029 1.00 0.00 C ATOM 861 C PRO A 798 0.404 -9.076 2.300 1.00 0.00 C ATOM 862 O PRO A 798 -0.198 -8.856 3.352 1.00 0.00 O ATOM 863 CB PRO A 798 0.115 -8.575 -0.142 1.00 0.00 C ATOM 864 CG PRO A 798 -0.854 -7.444 -0.190 1.00 0.00 C ATOM 865 CD PRO A 798 -2.173 -8.010 0.257 1.00 0.00 C ATOM 0 HA PRO A 798 -0.175 -10.507 0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 798 1.133 -8.218 0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 798 0.114 -9.137 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 798 -0.537 -6.631 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 798 -0.926 -7.035 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 798 -2.765 -7.271 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 798 -2.774 -8.344 -0.589 1.00 0.00 H new ATOM 873 N PHE A 799 1.727 -9.012 2.197 1.00 0.00 N ATOM 874 CA PHE A 799 2.568 -8.673 3.339 1.00 0.00 C ATOM 875 C PHE A 799 3.905 -8.101 2.879 1.00 0.00 C ATOM 876 O PHE A 799 4.211 -8.088 1.687 1.00 0.00 O ATOM 877 CB PHE A 799 2.801 -9.908 4.211 1.00 0.00 C ATOM 878 CG PHE A 799 3.081 -11.155 3.422 1.00 0.00 C ATOM 879 CD1 PHE A 799 2.041 -11.910 2.903 1.00 0.00 C ATOM 880 CD2 PHE A 799 4.383 -11.573 3.199 1.00 0.00 C ATOM 881 CE1 PHE A 799 2.295 -13.058 2.176 1.00 0.00 C ATOM 882 CE2 PHE A 799 4.643 -12.719 2.472 1.00 0.00 C ATOM 883 CZ PHE A 799 3.597 -13.464 1.961 1.00 0.00 C ATOM 0 H PHE A 799 2.240 -9.191 1.334 1.00 0.00 H new ATOM 0 HA PHE A 799 2.052 -7.914 3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 799 3.638 -9.716 4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 799 1.923 -10.072 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.020 -11.598 3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 799 5.204 -10.996 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.475 -13.637 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 799 5.663 -13.032 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 799 3.798 -14.362 1.395 1.00 0.00 H new ATOM 893 N CYS A 800 4.698 -7.626 3.834 1.00 0.00 N ATOM 894 CA CYS A 800 6.003 -7.051 3.529 1.00 0.00 C ATOM 895 C CYS A 800 7.121 -8.042 3.841 1.00 0.00 C ATOM 896 O CYS A 800 7.092 -8.723 4.866 1.00 0.00 O ATOM 897 CB CYS A 800 6.213 -5.761 4.325 1.00 0.00 C ATOM 898 SG CYS A 800 4.851 -4.562 4.171 1.00 0.00 S ATOM 0 H CYS A 800 4.460 -7.628 4.826 1.00 0.00 H new ATOM 0 HA CYS A 800 6.032 -6.822 2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 800 6.343 -6.013 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 800 7.138 -5.289 3.994 1.00 0.00 H new ATOM 903 N GLU A 801 8.104 -8.116 2.949 1.00 0.00 N ATOM 904 CA GLU A 801 9.231 -9.024 3.129 1.00 0.00 C ATOM 905 C GLU A 801 10.524 -8.395 2.619 1.00 0.00 C ATOM 906 O GLU A 801 10.529 -7.692 1.608 1.00 0.00 O ATOM 907 CB GLU A 801 8.971 -10.345 2.402 1.00 0.00 C ATOM 908 CG GLU A 801 10.036 -11.399 2.656 1.00 0.00 C ATOM 909 CD GLU A 801 9.851 -12.107 3.984 1.00 0.00 C ATOM 910 OE1 GLU A 801 9.404 -11.451 4.948 1.00 0.00 O ATOM 911 OE2 GLU A 801 10.152 -13.316 4.059 1.00 0.00 O ATOM 0 H GLU A 801 8.143 -7.559 2.095 1.00 0.00 H new ATOM 0 HA GLU A 801 9.340 -9.220 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 801 8.003 -10.737 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 801 8.909 -10.154 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 801 10.014 -12.133 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 801 11.019 -10.929 2.633 1.00 0.00 H new ATOM 918 N LYS A 802 11.619 -8.652 3.325 1.00 0.00 N ATOM 919 CA LYS A 802 12.919 -8.112 2.945 1.00 0.00 C ATOM 920 C LYS A 802 13.578 -8.982 1.879 1.00 0.00 C ATOM 921 O LYS A 802 13.733 -10.191 2.057 1.00 0.00 O ATOM 922 CB LYS A 802 13.830 -8.011 4.171 1.00 0.00 C ATOM 923 CG LYS A 802 15.150 -7.312 3.892 1.00 0.00 C ATOM 924 CD LYS A 802 15.690 -6.625 5.134 1.00 0.00 C ATOM 925 CE LYS A 802 16.572 -7.558 5.949 1.00 0.00 C ATOM 926 NZ LYS A 802 15.776 -8.605 6.646 1.00 0.00 N ATOM 0 H LYS A 802 11.632 -9.231 4.164 1.00 0.00 H new ATOM 0 HA LYS A 802 12.765 -7.115 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 802 13.304 -7.474 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 802 14.032 -9.014 4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 802 15.878 -8.038 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 802 15.013 -6.577 3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 802 16.262 -5.744 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 802 14.860 -6.278 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 802 17.302 -8.033 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 802 17.132 -6.979 6.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 16.296 -8.937 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 14.862 -8.207 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 15.613 -9.404 6.001 1.00 0.00 H new