USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 773 HIS : no HE2:sc= -0.395 K(o=-0.39,f=-5.7!) USER MOD Set 1.2: A 774 ASN : amide:sc= 0 K(o=-0.39,f=-4.4!) USER MOD Set 2.1: A 728 HIS : no HD1:sc=-0.00655 K(o=-3.3,f=-6.4) USER MOD Set 2.2: A 739 THR OG1 : rot 58:sc= -0.737! USER MOD Set 2.3: A 740 GLN : amide:sc= -2.6! C(o=-3.3!,f=-7.5!) USER MOD Set 3.1: A 703 GLN : amide:sc= -0.436 X(o=-0.53,f=-0.52) USER MOD Set 3.2: A 718 ASN : amide:sc= -0.0984 X(o=-0.53,f=-0.32) USER MOD Set 4.1: A 714 SER OG : rot -96:sc= 0.00366 USER MOD Set 4.2: A 732 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 690 THR OG1 : rot 134:sc= 1.15 USER MOD Single : A 699 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=0.0025) USER MOD Single : A 705 SER OG : rot 38:sc= -0.531 USER MOD Single : A 706 SER OG : rot 180:sc= 0 USER MOD Single : A 709 TYR OH : rot -139:sc= 0.193 USER MOD Single : A 710 TYR OH : rot 180:sc= 0 USER MOD Single : A 711 TYR OH : rot -56:sc= -0.474 USER MOD Single : A 720 SER OG : rot 73:sc= 0.108 USER MOD Single : A 722 SER OG : rot 180:sc= 0 USER MOD Single : A 724 THR OG1 : rot 174:sc= -1.3 USER MOD Single : A 725 MET CE :methyl 154:sc= -0.0989 (180deg=-0.512) USER MOD Single : A 730 SER OG : rot -138:sc= 2.18 USER MOD Single : A 735 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 743 GLN :FLIP amide:sc= -0.186 F(o=-0.83,f=-0.19) USER MOD Single : A 749 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 751 LYS NZ :NH3+ 169:sc= -0.0139 (180deg=-0.156) USER MOD Single : A 752 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 754 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 755 SER OG : rot 28:sc= 0.0125 USER MOD Single : A 756 SER OG : rot 180:sc= 0 USER MOD Single : A 757 ASN : amide:sc= 0.0226 K(o=0.023,f=-3.6!) USER MOD Single : A 764 HIS : no HD1:sc= -0.692 K(o=-0.69,f=-3!) USER MOD Single : A 766 LYS NZ :NH3+ 179:sc= 1.12 (180deg=1.11) USER MOD Single : A 767 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 769 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0539) USER MOD Single : A 775 SER OG : rot 94:sc= 1.22 USER MOD Single : A 776 ASN :FLIP amide:sc= -0.576 F(o=-2.4!,f=-0.58) USER MOD Single : A 779 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 CYS SG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -162:sc= -0.0705 (180deg=-0.424) USER MOD Single : A 789 HIS :FLIP no HD1:sc= -0.209 F(o=-0.91,f=-0.21) USER MOD Single : A 790 THR OG1 : rot 114:sc= -0.696! USER MOD Single : A 794 ASN :FLIP amide:sc= -0.773 F(o=-5!,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 690 28.620 -8.479 -3.540 1.00 0.00 N ATOM 2 CA THR A 690 27.831 -7.593 -2.747 1.00 0.00 C ATOM 3 C THR A 690 27.266 -6.501 -3.640 1.00 0.00 C ATOM 4 O THR A 690 27.769 -6.267 -4.751 1.00 0.00 O ATOM 5 CB THR A 690 28.664 -6.961 -1.566 1.00 0.00 C ATOM 6 OG1 THR A 690 27.976 -5.836 -1.016 1.00 0.00 O ATOM 7 CG2 THR A 690 30.058 -6.531 -2.011 1.00 0.00 C ATOM 0 HA THR A 690 27.019 -8.163 -2.295 1.00 0.00 H new ATOM 0 HB THR A 690 28.775 -7.735 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 690 27.987 -5.892 -0.038 1.00 0.00 H new ATOM 0 HG21 THR A 690 30.594 -6.102 -1.164 1.00 0.00 H new ATOM 0 HG22 THR A 690 30.604 -7.397 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 690 29.974 -5.786 -2.802 1.00 0.00 H new ATOM 15 N CYS A 691 26.199 -5.916 -3.205 1.00 0.00 N ATOM 16 CA CYS A 691 25.615 -4.777 -3.865 1.00 0.00 C ATOM 17 C CYS A 691 26.317 -3.503 -3.467 1.00 0.00 C ATOM 18 O CYS A 691 26.938 -2.828 -4.302 1.00 0.00 O ATOM 19 CB CYS A 691 24.118 -4.680 -3.578 1.00 0.00 C ATOM 20 SG CYS A 691 23.130 -5.794 -4.622 1.00 0.00 S ATOM 0 H CYS A 691 25.695 -6.214 -2.370 1.00 0.00 H new ATOM 0 HA CYS A 691 25.744 -4.915 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 691 23.937 -4.916 -2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 691 23.788 -3.653 -3.735 1.00 0.00 H new ATOM 25 N GLY A 692 26.261 -3.194 -2.217 1.00 0.00 N ATOM 26 CA GLY A 692 26.795 -2.025 -1.731 1.00 0.00 C ATOM 27 C GLY A 692 25.797 -1.428 -0.829 1.00 0.00 C ATOM 28 O GLY A 692 24.671 -1.960 -0.708 1.00 0.00 O ATOM 0 H GLY A 692 25.825 -3.782 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 692 27.726 -2.220 -1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 692 27.032 -1.343 -2.547 1.00 0.00 H new ATOM 32 N ASP A 693 26.180 -0.383 -0.204 1.00 0.00 N ATOM 33 CA ASP A 693 25.337 0.360 0.724 1.00 0.00 C ATOM 34 C ASP A 693 24.022 0.712 0.104 1.00 0.00 C ATOM 35 O ASP A 693 23.953 1.135 -1.059 1.00 0.00 O ATOM 36 CB ASP A 693 26.033 1.596 1.268 1.00 0.00 C ATOM 37 CG ASP A 693 25.157 2.340 2.244 1.00 0.00 C ATOM 38 OD1 ASP A 693 24.650 1.703 3.204 1.00 0.00 O ATOM 39 OD2 ASP A 693 24.995 3.577 2.094 1.00 0.00 O ATOM 0 H ASP A 693 27.114 0.013 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 693 25.145 -0.299 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 693 26.961 1.305 1.760 1.00 0.00 H new ATOM 0 HB3 ASP A 693 26.302 2.256 0.443 1.00 0.00 H new ATOM 44 N ILE A 694 23.000 0.506 0.875 1.00 0.00 N ATOM 45 CA ILE A 694 21.638 0.655 0.466 1.00 0.00 C ATOM 46 C ILE A 694 21.303 2.047 -0.115 1.00 0.00 C ATOM 47 O ILE A 694 21.941 3.052 0.219 1.00 0.00 O ATOM 48 CB ILE A 694 20.649 0.285 1.615 1.00 0.00 C ATOM 49 CG1 ILE A 694 21.082 0.805 3.006 1.00 0.00 C ATOM 50 CG2 ILE A 694 20.445 -1.194 1.666 1.00 0.00 C ATOM 51 CD1 ILE A 694 21.310 2.280 3.144 1.00 0.00 C ATOM 0 H ILE A 694 23.096 0.217 1.848 1.00 0.00 H new ATOM 0 HA ILE A 694 21.509 -0.053 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 694 19.712 0.788 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 694 20.321 0.512 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 694 22.002 0.293 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 694 19.753 -1.438 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 694 20.033 -1.537 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 694 21.400 -1.687 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 694 21.608 2.508 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 694 22.098 2.592 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 694 20.390 2.814 2.907 1.00 0.00 H new ATOM 63 N PRO A 695 20.338 2.098 -1.027 1.00 0.00 N ATOM 64 CA PRO A 695 19.842 3.347 -1.609 1.00 0.00 C ATOM 65 C PRO A 695 18.994 4.137 -0.598 1.00 0.00 C ATOM 66 O PRO A 695 19.060 3.894 0.612 1.00 0.00 O ATOM 67 CB PRO A 695 18.968 2.852 -2.764 1.00 0.00 C ATOM 68 CG PRO A 695 18.514 1.514 -2.320 1.00 0.00 C ATOM 69 CD PRO A 695 19.671 0.930 -1.599 1.00 0.00 C ATOM 0 HA PRO A 695 20.641 4.022 -1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 695 18.126 3.521 -2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 695 19.532 2.794 -3.695 1.00 0.00 H new ATOM 0 HG2 PRO A 695 17.642 1.590 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 695 18.226 0.894 -3.169 1.00 0.00 H new ATOM 0 HD2 PRO A 695 19.352 0.231 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 695 20.329 0.381 -2.273 1.00 0.00 H new ATOM 77 N GLU A 696 18.203 5.056 -1.079 1.00 0.00 N ATOM 78 CA GLU A 696 17.383 5.838 -0.252 1.00 0.00 C ATOM 79 C GLU A 696 16.035 5.912 -0.892 1.00 0.00 C ATOM 80 O GLU A 696 15.901 5.807 -2.126 1.00 0.00 O ATOM 81 CB GLU A 696 17.966 7.236 -0.038 1.00 0.00 C ATOM 82 CG GLU A 696 18.116 8.065 -1.300 1.00 0.00 C ATOM 83 CD GLU A 696 18.654 9.432 -1.008 1.00 0.00 C ATOM 84 OE1 GLU A 696 17.848 10.336 -0.720 1.00 0.00 O ATOM 85 OE2 GLU A 696 19.884 9.627 -1.052 1.00 0.00 O ATOM 0 H GLU A 696 18.122 5.271 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 696 17.312 5.382 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 696 17.328 7.777 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 696 18.944 7.138 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 696 18.783 7.553 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 696 17.148 8.153 -1.794 1.00 0.00 H new ATOM 92 N LEU A 697 15.074 6.069 -0.097 1.00 0.00 N ATOM 93 CA LEU A 697 13.721 6.113 -0.538 1.00 0.00 C ATOM 94 C LEU A 697 13.284 7.543 -0.803 1.00 0.00 C ATOM 95 O LEU A 697 13.352 8.403 0.079 1.00 0.00 O ATOM 96 CB LEU A 697 12.800 5.385 0.450 1.00 0.00 C ATOM 97 CG LEU A 697 11.308 5.369 0.129 1.00 0.00 C ATOM 98 CD1 LEU A 697 11.066 4.890 -1.285 1.00 0.00 C ATOM 99 CD2 LEU A 697 10.599 4.449 1.074 1.00 0.00 C ATOM 0 H LEU A 697 15.187 6.176 0.911 1.00 0.00 H new ATOM 0 HA LEU A 697 13.645 5.582 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 697 13.140 4.352 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 697 12.930 5.841 1.432 1.00 0.00 H new ATOM 0 HG LEU A 697 10.928 6.385 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 697 9.995 4.887 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 697 11.568 5.557 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 697 11.460 3.880 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 697 9.534 4.440 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 697 11.002 3.441 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 697 10.745 4.795 2.097 1.00 0.00 H new ATOM 111 N GLU A 698 12.838 7.744 -2.037 1.00 0.00 N ATOM 112 CA GLU A 698 12.370 9.008 -2.620 1.00 0.00 C ATOM 113 C GLU A 698 11.632 9.931 -1.631 1.00 0.00 C ATOM 114 O GLU A 698 11.940 11.113 -1.533 1.00 0.00 O ATOM 115 CB GLU A 698 11.440 8.693 -3.803 1.00 0.00 C ATOM 116 CG GLU A 698 10.393 7.628 -3.460 1.00 0.00 C ATOM 117 CD GLU A 698 9.277 7.520 -4.445 1.00 0.00 C ATOM 118 OE1 GLU A 698 9.509 7.099 -5.592 1.00 0.00 O ATOM 119 OE2 GLU A 698 8.131 7.821 -4.066 1.00 0.00 O ATOM 0 H GLU A 698 12.788 6.978 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 698 13.261 9.552 -2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 698 10.935 9.606 -4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 698 12.037 8.352 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 698 10.889 6.660 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 698 9.975 7.850 -2.478 1.00 0.00 H new ATOM 126 N HIS A 699 10.657 9.399 -0.929 1.00 0.00 N ATOM 127 CA HIS A 699 9.873 10.190 0.004 1.00 0.00 C ATOM 128 C HIS A 699 9.686 9.413 1.278 1.00 0.00 C ATOM 129 O HIS A 699 8.707 9.608 1.985 1.00 0.00 O ATOM 130 CB HIS A 699 8.484 10.544 -0.578 1.00 0.00 C ATOM 131 CG HIS A 699 8.489 11.379 -1.827 1.00 0.00 C ATOM 132 ND1 HIS A 699 8.384 12.749 -1.830 1.00 0.00 N ATOM 133 CD2 HIS A 699 8.570 11.015 -3.123 1.00 0.00 C ATOM 134 CE1 HIS A 699 8.401 13.182 -3.068 1.00 0.00 C ATOM 135 NE2 HIS A 699 8.515 12.152 -3.873 1.00 0.00 N ATOM 0 H HIS A 699 10.384 8.418 -0.984 1.00 0.00 H new ATOM 0 HA HIS A 699 10.411 11.118 0.195 1.00 0.00 H new ATOM 0 HB2 HIS A 699 7.952 9.616 -0.787 1.00 0.00 H new ATOM 0 HB3 HIS A 699 7.915 11.073 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 699 8.662 10.006 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 699 8.332 14.215 -3.374 1.00 0.00 H new ATOM 0 HE2 HIS A 699 8.556 12.195 -4.891 1.00 0.00 H new ATOM 144 N GLY A 700 10.632 8.559 1.585 1.00 0.00 N ATOM 145 CA GLY A 700 10.517 7.731 2.758 1.00 0.00 C ATOM 146 C GLY A 700 11.838 7.543 3.460 1.00 0.00 C ATOM 147 O GLY A 700 12.771 8.347 3.276 1.00 0.00 O ATOM 0 H GLY A 700 11.484 8.420 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 700 9.803 8.180 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 700 10.117 6.757 2.474 1.00 0.00 H new ATOM 151 N TRP A 701 11.947 6.475 4.203 1.00 0.00 N ATOM 152 CA TRP A 701 13.112 6.205 5.025 1.00 0.00 C ATOM 153 C TRP A 701 13.441 4.726 4.952 1.00 0.00 C ATOM 154 O TRP A 701 12.750 3.972 4.270 1.00 0.00 O ATOM 155 CB TRP A 701 12.854 6.635 6.513 1.00 0.00 C ATOM 156 CG TRP A 701 11.696 5.925 7.214 1.00 0.00 C ATOM 157 CD1 TRP A 701 10.816 5.056 6.662 1.00 0.00 C ATOM 158 CD2 TRP A 701 11.307 6.030 8.595 1.00 0.00 C ATOM 159 NE1 TRP A 701 9.906 4.643 7.574 1.00 0.00 N ATOM 160 CE2 TRP A 701 10.178 5.208 8.761 1.00 0.00 C ATOM 161 CE3 TRP A 701 11.788 6.734 9.701 1.00 0.00 C ATOM 162 CZ2 TRP A 701 9.521 5.064 9.956 1.00 0.00 C ATOM 163 CZ3 TRP A 701 11.130 6.591 10.910 1.00 0.00 C ATOM 164 CH2 TRP A 701 10.005 5.760 11.030 1.00 0.00 C ATOM 0 H TRP A 701 11.226 5.756 4.260 1.00 0.00 H new ATOM 0 HA TRP A 701 13.956 6.784 4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 701 13.764 6.460 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 701 12.665 7.708 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 701 10.838 4.735 5.631 1.00 0.00 H new ATOM 0 HE1 TRP A 701 9.134 4.003 7.389 1.00 0.00 H new ATOM 0 HE3 TRP A 701 12.653 7.375 9.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 701 8.655 4.426 10.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 701 11.488 7.128 11.776 1.00 0.00 H new ATOM 0 HH2 TRP A 701 9.513 5.668 11.987 1.00 0.00 H new ATOM 175 N ALA A 702 14.440 4.323 5.663 1.00 0.00 N ATOM 176 CA ALA A 702 14.832 2.945 5.727 1.00 0.00 C ATOM 177 C ALA A 702 14.636 2.469 7.132 1.00 0.00 C ATOM 178 O ALA A 702 14.790 3.248 8.076 1.00 0.00 O ATOM 179 CB ALA A 702 16.288 2.790 5.330 1.00 0.00 C ATOM 0 H ALA A 702 15.019 4.946 6.226 1.00 0.00 H new ATOM 0 HA ALA A 702 14.227 2.356 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 702 16.570 1.738 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 702 16.428 3.151 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 702 16.914 3.369 6.009 1.00 0.00 H new ATOM 185 N GLN A 703 14.272 1.228 7.285 1.00 0.00 N ATOM 186 CA GLN A 703 14.105 0.667 8.595 1.00 0.00 C ATOM 187 C GLN A 703 15.460 0.410 9.252 1.00 0.00 C ATOM 188 O GLN A 703 15.845 1.082 10.219 1.00 0.00 O ATOM 189 CB GLN A 703 13.301 -0.624 8.545 1.00 0.00 C ATOM 190 CG GLN A 703 11.828 -0.426 8.280 1.00 0.00 C ATOM 191 CD GLN A 703 11.178 0.501 9.292 1.00 0.00 C ATOM 192 OE1 GLN A 703 11.092 1.706 9.077 1.00 0.00 O ATOM 193 NE2 GLN A 703 10.743 -0.042 10.401 1.00 0.00 N ATOM 0 H GLN A 703 14.085 0.584 6.517 1.00 0.00 H new ATOM 0 HA GLN A 703 13.554 1.393 9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 703 13.715 -1.267 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 703 13.421 -1.150 9.492 1.00 0.00 H new ATOM 0 HG2 GLN A 703 11.693 -0.018 7.278 1.00 0.00 H new ATOM 0 HG3 GLN A 703 11.325 -1.393 8.301 1.00 0.00 H new ATOM 0 HE21 GLN A 703 10.831 -1.048 10.545 1.00 0.00 H new ATOM 0 HE22 GLN A 703 10.316 0.541 11.121 1.00 0.00 H new ATOM 202 N LEU A 704 16.177 -0.546 8.710 1.00 0.00 N ATOM 203 CA LEU A 704 17.479 -0.930 9.197 1.00 0.00 C ATOM 204 C LEU A 704 18.165 -1.660 8.060 1.00 0.00 C ATOM 205 O LEU A 704 17.522 -2.441 7.358 1.00 0.00 O ATOM 206 CB LEU A 704 17.321 -1.819 10.470 1.00 0.00 C ATOM 207 CG LEU A 704 18.594 -2.210 11.255 1.00 0.00 C ATOM 208 CD1 LEU A 704 18.212 -2.680 12.639 1.00 0.00 C ATOM 209 CD2 LEU A 704 19.349 -3.329 10.564 1.00 0.00 C ATOM 0 H LEU A 704 15.865 -1.088 7.904 1.00 0.00 H new ATOM 0 HA LEU A 704 18.082 -0.072 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 704 16.653 -1.299 11.157 1.00 0.00 H new ATOM 0 HB3 LEU A 704 16.819 -2.739 10.172 1.00 0.00 H new ATOM 0 HG LEU A 704 19.234 -1.329 11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 704 19.111 -2.955 13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 704 17.694 -1.878 13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 704 17.555 -3.546 12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 704 20.238 -3.579 11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 704 18.708 -4.207 10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 704 19.644 -3.006 9.566 1.00 0.00 H new ATOM 221 N SER A 705 19.431 -1.401 7.871 1.00 0.00 N ATOM 222 CA SER A 705 20.172 -1.926 6.812 1.00 0.00 C ATOM 223 C SER A 705 21.608 -1.983 7.239 1.00 0.00 C ATOM 224 O SER A 705 22.190 -0.962 7.658 1.00 0.00 O ATOM 225 CB SER A 705 19.958 -1.035 5.607 1.00 0.00 C ATOM 226 OG SER A 705 19.978 0.341 5.977 1.00 0.00 O ATOM 0 H SER A 705 19.972 -0.794 8.486 1.00 0.00 H new ATOM 0 HA SER A 705 19.861 -2.935 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 705 20.734 -1.227 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 705 19.004 -1.275 5.138 1.00 0.00 H new ATOM 0 HG SER A 705 20.652 0.483 6.674 1.00 0.00 H new ATOM 232 N SER A 706 22.152 -3.137 7.171 1.00 0.00 N ATOM 233 CA SER A 706 23.479 -3.378 7.643 1.00 0.00 C ATOM 234 C SER A 706 24.313 -4.065 6.556 1.00 0.00 C ATOM 235 O SER A 706 23.875 -5.064 5.964 1.00 0.00 O ATOM 236 CB SER A 706 23.402 -4.263 8.889 1.00 0.00 C ATOM 237 OG SER A 706 22.545 -3.698 9.885 1.00 0.00 O ATOM 0 H SER A 706 21.690 -3.959 6.782 1.00 0.00 H new ATOM 0 HA SER A 706 23.959 -2.431 7.892 1.00 0.00 H new ATOM 0 HB2 SER A 706 23.036 -5.251 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 706 24.402 -4.398 9.302 1.00 0.00 H new ATOM 0 HG SER A 706 22.517 -4.289 10.666 1.00 0.00 H new ATOM 243 N PRO A 707 25.524 -3.547 6.271 1.00 0.00 N ATOM 244 CA PRO A 707 26.428 -4.143 5.283 1.00 0.00 C ATOM 245 C PRO A 707 26.883 -5.527 5.766 1.00 0.00 C ATOM 246 O PRO A 707 26.671 -5.865 6.948 1.00 0.00 O ATOM 247 CB PRO A 707 27.583 -3.148 5.213 1.00 0.00 C ATOM 248 CG PRO A 707 27.573 -2.489 6.546 1.00 0.00 C ATOM 249 CD PRO A 707 26.125 -2.357 6.910 1.00 0.00 C ATOM 0 HA PRO A 707 25.975 -4.306 4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 707 28.532 -3.651 5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 707 27.439 -2.425 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 707 28.111 -3.084 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 707 28.059 -1.514 6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 707 25.976 -2.358 7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 707 25.694 -1.431 6.530 1.00 0.00 H new ATOM 257 N PRO A 708 27.528 -6.355 4.929 1.00 0.00 N ATOM 258 CA PRO A 708 27.987 -6.008 3.562 1.00 0.00 C ATOM 259 C PRO A 708 26.908 -5.853 2.519 1.00 0.00 C ATOM 260 O PRO A 708 27.201 -5.376 1.444 1.00 0.00 O ATOM 261 CB PRO A 708 28.877 -7.168 3.156 1.00 0.00 C ATOM 262 CG PRO A 708 28.889 -8.134 4.286 1.00 0.00 C ATOM 263 CD PRO A 708 27.856 -7.727 5.273 1.00 0.00 C ATOM 0 HA PRO A 708 28.466 -5.030 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 708 28.501 -7.642 2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 708 29.886 -6.820 2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 708 28.688 -9.142 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 708 29.873 -8.154 4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 708 26.978 -8.370 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 708 28.234 -7.799 6.293 1.00 0.00 H new ATOM 271 N TYR A 709 25.691 -6.264 2.836 1.00 0.00 N ATOM 272 CA TYR A 709 24.549 -6.191 1.900 1.00 0.00 C ATOM 273 C TYR A 709 24.757 -7.189 0.754 1.00 0.00 C ATOM 274 O TYR A 709 25.210 -6.824 -0.350 1.00 0.00 O ATOM 275 CB TYR A 709 24.358 -4.781 1.299 1.00 0.00 C ATOM 276 CG TYR A 709 24.109 -3.659 2.279 1.00 0.00 C ATOM 277 CD1 TYR A 709 22.949 -3.579 3.037 1.00 0.00 C ATOM 278 CD2 TYR A 709 25.051 -2.672 2.432 1.00 0.00 C ATOM 279 CE1 TYR A 709 22.753 -2.533 3.918 1.00 0.00 C ATOM 280 CE2 TYR A 709 24.867 -1.633 3.301 1.00 0.00 C ATOM 281 CZ TYR A 709 23.730 -1.556 4.040 1.00 0.00 C ATOM 282 OH TYR A 709 23.561 -0.493 4.897 1.00 0.00 O ATOM 0 H TYR A 709 25.453 -6.660 3.746 1.00 0.00 H new ATOM 0 HA TYR A 709 23.655 -6.434 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 709 25.246 -4.535 0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 709 23.521 -4.818 0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 709 22.192 -4.342 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 709 25.960 -2.718 1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 709 21.849 -2.477 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 709 25.627 -0.872 3.400 1.00 0.00 H new ATOM 0 HH TYR A 709 23.884 0.327 4.469 1.00 0.00 H new ATOM 292 N TYR A 710 24.505 -8.436 1.029 1.00 0.00 N ATOM 293 CA TYR A 710 24.708 -9.492 0.058 1.00 0.00 C ATOM 294 C TYR A 710 23.558 -9.648 -0.896 1.00 0.00 C ATOM 295 O TYR A 710 22.487 -9.066 -0.723 1.00 0.00 O ATOM 296 CB TYR A 710 24.937 -10.824 0.728 1.00 0.00 C ATOM 297 CG TYR A 710 26.308 -11.045 1.267 1.00 0.00 C ATOM 298 CD1 TYR A 710 27.290 -11.494 0.431 1.00 0.00 C ATOM 299 CD2 TYR A 710 26.612 -10.862 2.603 1.00 0.00 C ATOM 300 CE1 TYR A 710 28.542 -11.753 0.883 1.00 0.00 C ATOM 301 CE2 TYR A 710 27.868 -11.134 3.078 1.00 0.00 C ATOM 302 CZ TYR A 710 28.833 -11.579 2.213 1.00 0.00 C ATOM 303 OH TYR A 710 30.094 -11.864 2.685 1.00 0.00 O ATOM 0 H TYR A 710 24.153 -8.758 1.930 1.00 0.00 H new ATOM 0 HA TYR A 710 25.592 -9.190 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 710 24.223 -10.927 1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 710 24.716 -11.614 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 710 27.064 -11.646 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 710 25.851 -10.501 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 710 29.306 -12.094 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 710 28.095 -10.999 4.125 1.00 0.00 H new ATOM 0 HH TYR A 710 30.131 -11.685 3.648 1.00 0.00 H new ATOM 313 N TYR A 711 23.786 -10.472 -1.888 1.00 0.00 N ATOM 314 CA TYR A 711 22.776 -10.787 -2.867 1.00 0.00 C ATOM 315 C TYR A 711 21.716 -11.646 -2.259 1.00 0.00 C ATOM 316 O TYR A 711 22.013 -12.626 -1.565 1.00 0.00 O ATOM 317 CB TYR A 711 23.368 -11.467 -4.078 1.00 0.00 C ATOM 318 CG TYR A 711 24.231 -10.565 -4.900 1.00 0.00 C ATOM 319 CD1 TYR A 711 25.579 -10.435 -4.644 1.00 0.00 C ATOM 320 CD2 TYR A 711 23.690 -9.842 -5.945 1.00 0.00 C ATOM 321 CE1 TYR A 711 26.362 -9.613 -5.405 1.00 0.00 C ATOM 322 CE2 TYR A 711 24.475 -9.014 -6.711 1.00 0.00 C ATOM 323 CZ TYR A 711 25.814 -8.905 -6.433 1.00 0.00 C ATOM 324 OH TYR A 711 26.616 -8.074 -7.190 1.00 0.00 O ATOM 0 H TYR A 711 24.678 -10.944 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 711 22.330 -9.849 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 711 23.957 -12.325 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 711 22.561 -11.852 -4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 711 26.023 -10.990 -3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 711 22.636 -9.929 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 711 27.417 -9.524 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 711 24.041 -8.453 -7.526 1.00 0.00 H new ATOM 0 HH TYR A 711 27.066 -7.431 -6.604 1.00 0.00 H new ATOM 334 N GLY A 712 20.496 -11.273 -2.496 1.00 0.00 N ATOM 335 CA GLY A 712 19.386 -11.966 -1.930 1.00 0.00 C ATOM 336 C GLY A 712 18.817 -11.201 -0.759 1.00 0.00 C ATOM 337 O GLY A 712 17.692 -11.466 -0.317 1.00 0.00 O ATOM 0 H GLY A 712 20.245 -10.480 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 712 18.615 -12.107 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 712 19.698 -12.958 -1.605 1.00 0.00 H new ATOM 341 N ASP A 713 19.591 -10.241 -0.257 1.00 0.00 N ATOM 342 CA ASP A 713 19.163 -9.409 0.858 1.00 0.00 C ATOM 343 C ASP A 713 18.110 -8.443 0.446 1.00 0.00 C ATOM 344 O ASP A 713 18.076 -7.984 -0.710 1.00 0.00 O ATOM 345 CB ASP A 713 20.317 -8.646 1.520 1.00 0.00 C ATOM 346 CG ASP A 713 21.038 -9.455 2.565 1.00 0.00 C ATOM 347 OD1 ASP A 713 21.900 -10.279 2.226 1.00 0.00 O ATOM 348 OD2 ASP A 713 20.768 -9.259 3.776 1.00 0.00 O ATOM 0 H ASP A 713 20.523 -10.022 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 713 18.755 -10.102 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 713 21.028 -8.338 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 713 19.928 -7.737 1.978 1.00 0.00 H new ATOM 353 N SER A 714 17.242 -8.151 1.361 1.00 0.00 N ATOM 354 CA SER A 714 16.192 -7.222 1.143 1.00 0.00 C ATOM 355 C SER A 714 16.086 -6.313 2.338 1.00 0.00 C ATOM 356 O SER A 714 16.313 -6.742 3.479 1.00 0.00 O ATOM 357 CB SER A 714 14.883 -7.936 0.924 1.00 0.00 C ATOM 358 OG SER A 714 15.008 -8.933 -0.093 1.00 0.00 O ATOM 0 H SER A 714 17.247 -8.561 2.295 1.00 0.00 H new ATOM 0 HA SER A 714 16.414 -6.638 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 714 14.557 -8.400 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 714 14.115 -7.216 0.641 1.00 0.00 H new ATOM 0 HG SER A 714 14.717 -8.562 -0.952 1.00 0.00 H new ATOM 364 N VAL A 715 15.767 -5.079 2.089 1.00 0.00 N ATOM 365 CA VAL A 715 15.709 -4.085 3.133 1.00 0.00 C ATOM 366 C VAL A 715 14.380 -3.397 3.091 1.00 0.00 C ATOM 367 O VAL A 715 13.889 -3.074 2.003 1.00 0.00 O ATOM 368 CB VAL A 715 16.814 -3.026 2.945 1.00 0.00 C ATOM 369 CG1 VAL A 715 16.851 -2.048 4.109 1.00 0.00 C ATOM 370 CG2 VAL A 715 18.147 -3.701 2.776 1.00 0.00 C ATOM 0 H VAL A 715 15.539 -4.727 1.159 1.00 0.00 H new ATOM 0 HA VAL A 715 15.852 -4.586 4.090 1.00 0.00 H new ATOM 0 HB VAL A 715 16.588 -2.454 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 715 17.641 -1.316 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 715 15.892 -1.536 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 715 17.047 -2.590 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 715 18.923 -2.947 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 715 18.368 -4.297 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 715 18.118 -4.349 1.900 1.00 0.00 H new ATOM 380 N GLU A 716 13.820 -3.172 4.246 1.00 0.00 N ATOM 381 CA GLU A 716 12.556 -2.528 4.376 1.00 0.00 C ATOM 382 C GLU A 716 12.715 -1.004 4.411 1.00 0.00 C ATOM 383 O GLU A 716 13.483 -0.442 5.207 1.00 0.00 O ATOM 384 CB GLU A 716 11.780 -3.041 5.609 1.00 0.00 C ATOM 385 CG GLU A 716 11.165 -4.451 5.478 1.00 0.00 C ATOM 386 CD GLU A 716 12.163 -5.582 5.271 1.00 0.00 C ATOM 387 OE1 GLU A 716 12.624 -6.182 6.264 1.00 0.00 O ATOM 388 OE2 GLU A 716 12.467 -5.929 4.107 1.00 0.00 O ATOM 0 H GLU A 716 14.242 -3.438 5.136 1.00 0.00 H new ATOM 0 HA GLU A 716 11.966 -2.782 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 716 12.454 -3.037 6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 716 10.979 -2.335 5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 716 10.585 -4.661 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 716 10.466 -4.448 4.641 1.00 0.00 H new ATOM 395 N PHE A 717 12.014 -0.378 3.527 1.00 0.00 N ATOM 396 CA PHE A 717 11.939 1.056 3.369 1.00 0.00 C ATOM 397 C PHE A 717 10.476 1.440 3.354 1.00 0.00 C ATOM 398 O PHE A 717 9.727 0.995 2.491 1.00 0.00 O ATOM 399 CB PHE A 717 12.578 1.502 2.035 1.00 0.00 C ATOM 400 CG PHE A 717 14.084 1.567 1.993 1.00 0.00 C ATOM 401 CD1 PHE A 717 14.858 0.433 2.052 1.00 0.00 C ATOM 402 CD2 PHE A 717 14.716 2.792 1.870 1.00 0.00 C ATOM 403 CE1 PHE A 717 16.234 0.521 1.994 1.00 0.00 C ATOM 404 CE2 PHE A 717 16.086 2.883 1.806 1.00 0.00 C ATOM 405 CZ PHE A 717 16.847 1.744 1.869 1.00 0.00 C ATOM 0 H PHE A 717 11.438 -0.875 2.848 1.00 0.00 H new ATOM 0 HA PHE A 717 12.476 1.538 4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 717 12.245 0.819 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 717 12.188 2.488 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 717 14.386 -0.534 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 717 14.122 3.693 1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 717 16.832 -0.377 2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 717 16.561 3.848 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 717 17.924 1.808 1.821 1.00 0.00 H new ATOM 415 N ASN A 718 10.059 2.228 4.302 1.00 0.00 N ATOM 416 CA ASN A 718 8.668 2.642 4.352 1.00 0.00 C ATOM 417 C ASN A 718 8.633 4.138 4.266 1.00 0.00 C ATOM 418 O ASN A 718 9.628 4.777 3.926 1.00 0.00 O ATOM 419 CB ASN A 718 7.960 2.238 5.665 1.00 0.00 C ATOM 420 CG ASN A 718 8.116 0.815 6.092 1.00 0.00 C ATOM 421 OD1 ASN A 718 7.370 -0.076 5.669 1.00 0.00 O ATOM 422 ND2 ASN A 718 9.002 0.615 7.012 1.00 0.00 N ATOM 0 H ASN A 718 10.647 2.599 5.048 1.00 0.00 H new ATOM 0 HA ASN A 718 8.150 2.151 3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 718 8.333 2.878 6.465 1.00 0.00 H new ATOM 0 HB3 ASN A 718 6.896 2.448 5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 718 9.110 -0.312 7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 718 9.593 1.384 7.326 1.00 0.00 H new ATOM 429 N CYS A 719 7.547 4.705 4.645 1.00 0.00 N ATOM 430 CA CYS A 719 7.402 6.120 4.607 1.00 0.00 C ATOM 431 C CYS A 719 7.331 6.534 6.057 1.00 0.00 C ATOM 432 O CYS A 719 6.660 5.868 6.858 1.00 0.00 O ATOM 433 CB CYS A 719 6.139 6.509 3.804 1.00 0.00 C ATOM 434 SG CYS A 719 5.928 5.520 2.276 1.00 0.00 S ATOM 0 H CYS A 719 6.729 4.203 4.992 1.00 0.00 H new ATOM 0 HA CYS A 719 8.225 6.626 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 719 5.260 6.382 4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 719 6.193 7.566 3.542 1.00 0.00 H new ATOM 439 N SER A 720 8.053 7.554 6.406 1.00 0.00 N ATOM 440 CA SER A 720 8.216 7.960 7.801 1.00 0.00 C ATOM 441 C SER A 720 6.870 8.341 8.409 1.00 0.00 C ATOM 442 O SER A 720 6.418 7.742 9.402 1.00 0.00 O ATOM 443 CB SER A 720 9.232 9.118 7.901 1.00 0.00 C ATOM 444 OG SER A 720 9.561 9.431 9.248 1.00 0.00 O ATOM 0 H SER A 720 8.555 8.142 5.741 1.00 0.00 H new ATOM 0 HA SER A 720 8.607 7.119 8.373 1.00 0.00 H new ATOM 0 HB2 SER A 720 10.140 8.850 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 720 8.821 10.003 7.415 1.00 0.00 H new ATOM 0 HG SER A 720 10.137 8.729 9.616 1.00 0.00 H new ATOM 450 N GLU A 721 6.245 9.302 7.804 1.00 0.00 N ATOM 451 CA GLU A 721 4.945 9.793 8.161 1.00 0.00 C ATOM 452 C GLU A 721 4.619 10.771 7.100 1.00 0.00 C ATOM 453 O GLU A 721 5.521 11.097 6.326 1.00 0.00 O ATOM 454 CB GLU A 721 4.949 10.480 9.533 1.00 0.00 C ATOM 455 CG GLU A 721 5.883 11.669 9.633 1.00 0.00 C ATOM 456 CD GLU A 721 5.865 12.282 10.986 1.00 0.00 C ATOM 457 OE1 GLU A 721 5.018 13.150 11.250 1.00 0.00 O ATOM 458 OE2 GLU A 721 6.705 11.897 11.830 1.00 0.00 O ATOM 0 H GLU A 721 6.647 9.793 7.005 1.00 0.00 H new ATOM 0 HA GLU A 721 4.219 8.984 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 721 3.936 10.808 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 721 5.228 9.749 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 721 6.898 11.353 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 721 5.598 12.417 8.893 1.00 0.00 H new ATOM 465 N SER A 722 3.360 11.191 7.002 1.00 0.00 N ATOM 466 CA SER A 722 2.916 12.178 6.000 1.00 0.00 C ATOM 467 C SER A 722 2.972 11.616 4.574 1.00 0.00 C ATOM 468 O SER A 722 2.647 12.293 3.606 1.00 0.00 O ATOM 469 CB SER A 722 3.777 13.424 6.081 1.00 0.00 C ATOM 470 OG SER A 722 3.672 14.070 7.354 1.00 0.00 O ATOM 0 H SER A 722 2.612 10.861 7.612 1.00 0.00 H new ATOM 0 HA SER A 722 1.878 12.423 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 722 4.817 13.158 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 722 3.481 14.120 5.296 1.00 0.00 H new ATOM 0 HG SER A 722 4.243 14.866 7.365 1.00 0.00 H new ATOM 476 N PHE A 723 3.377 10.391 4.475 1.00 0.00 N ATOM 477 CA PHE A 723 3.551 9.717 3.266 1.00 0.00 C ATOM 478 C PHE A 723 3.005 8.324 3.396 1.00 0.00 C ATOM 479 O PHE A 723 3.090 7.684 4.457 1.00 0.00 O ATOM 480 CB PHE A 723 5.025 9.673 2.841 1.00 0.00 C ATOM 481 CG PHE A 723 5.641 11.015 2.531 1.00 0.00 C ATOM 482 CD1 PHE A 723 5.440 11.609 1.308 1.00 0.00 C ATOM 483 CD2 PHE A 723 6.441 11.661 3.456 1.00 0.00 C ATOM 484 CE1 PHE A 723 6.020 12.824 1.008 1.00 0.00 C ATOM 485 CE2 PHE A 723 7.019 12.876 3.167 1.00 0.00 C ATOM 486 CZ PHE A 723 6.810 13.459 1.941 1.00 0.00 C ATOM 0 H PHE A 723 3.602 9.819 5.289 1.00 0.00 H new ATOM 0 HA PHE A 723 3.010 10.259 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 723 5.602 9.200 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 723 5.114 9.037 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 723 4.820 11.118 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 723 6.615 11.205 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 723 5.855 13.277 0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 723 7.636 13.370 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 723 7.263 14.412 1.709 1.00 0.00 H new ATOM 496 N THR A 724 2.473 7.895 2.345 1.00 0.00 N ATOM 497 CA THR A 724 1.842 6.636 2.195 1.00 0.00 C ATOM 498 C THR A 724 2.683 5.725 1.285 1.00 0.00 C ATOM 499 O THR A 724 3.171 6.158 0.227 1.00 0.00 O ATOM 500 CB THR A 724 0.376 6.818 1.651 1.00 0.00 C ATOM 501 OG1 THR A 724 -0.570 6.864 2.721 1.00 0.00 O ATOM 502 CG2 THR A 724 0.013 5.751 0.677 1.00 0.00 C ATOM 0 H THR A 724 2.456 8.445 1.486 1.00 0.00 H new ATOM 0 HA THR A 724 1.770 6.153 3.169 1.00 0.00 H new ATOM 0 HB THR A 724 0.346 7.772 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 724 -1.458 7.075 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 724 -1.006 5.911 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 724 0.699 5.782 -0.170 1.00 0.00 H new ATOM 0 HG23 THR A 724 0.080 4.777 1.162 1.00 0.00 H new ATOM 510 N MET A 725 2.842 4.490 1.719 1.00 0.00 N ATOM 511 CA MET A 725 3.599 3.487 1.034 1.00 0.00 C ATOM 512 C MET A 725 2.733 2.834 0.003 1.00 0.00 C ATOM 513 O MET A 725 1.645 2.307 0.316 1.00 0.00 O ATOM 514 CB MET A 725 4.051 2.414 2.009 1.00 0.00 C ATOM 515 CG MET A 725 4.874 1.304 1.371 1.00 0.00 C ATOM 516 SD MET A 725 4.474 -0.316 2.064 1.00 0.00 S ATOM 517 CE MET A 725 2.799 -0.534 1.439 1.00 0.00 C ATOM 0 H MET A 725 2.429 4.156 2.590 1.00 0.00 H new ATOM 0 HA MET A 725 4.466 3.960 0.572 1.00 0.00 H new ATOM 0 HB2 MET A 725 4.640 2.880 2.799 1.00 0.00 H new ATOM 0 HB3 MET A 725 3.173 1.975 2.483 1.00 0.00 H new ATOM 0 HG2 MET A 725 4.696 1.293 0.296 1.00 0.00 H new ATOM 0 HG3 MET A 725 5.935 1.509 1.517 1.00 0.00 H new ATOM 0 HE1 MET A 725 2.575 -1.598 1.362 1.00 0.00 H new ATOM 0 HE2 MET A 725 2.092 -0.062 2.121 1.00 0.00 H new ATOM 0 HE3 MET A 725 2.715 -0.074 0.454 1.00 0.00 H new ATOM 527 N ILE A 726 3.174 2.886 -1.188 1.00 0.00 N ATOM 528 CA ILE A 726 2.491 2.257 -2.283 1.00 0.00 C ATOM 529 C ILE A 726 3.255 1.066 -2.847 1.00 0.00 C ATOM 530 O ILE A 726 4.446 1.161 -3.204 1.00 0.00 O ATOM 531 CB ILE A 726 2.098 3.275 -3.394 1.00 0.00 C ATOM 532 CG1 ILE A 726 1.098 4.275 -2.815 1.00 0.00 C ATOM 533 CG2 ILE A 726 1.517 2.582 -4.634 1.00 0.00 C ATOM 534 CD1 ILE A 726 -0.120 3.606 -2.197 1.00 0.00 C ATOM 0 H ILE A 726 4.032 3.370 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 726 1.563 1.860 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 726 2.998 3.795 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 726 1.596 4.882 -2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 726 0.772 4.953 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 726 1.258 3.332 -5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 726 2.257 1.897 -5.048 1.00 0.00 H new ATOM 0 HG23 ILE A 726 0.623 2.024 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 726 -0.793 4.368 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 726 -0.639 3.021 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 726 0.197 2.949 -1.387 1.00 0.00 H new ATOM 546 N GLY A 727 2.581 -0.065 -2.838 1.00 0.00 N ATOM 547 CA GLY A 727 3.071 -1.247 -3.453 1.00 0.00 C ATOM 548 C GLY A 727 3.687 -2.183 -2.481 1.00 0.00 C ATOM 549 O GLY A 727 3.026 -3.058 -1.911 1.00 0.00 O ATOM 0 H GLY A 727 1.669 -0.174 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 727 2.253 -1.750 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 727 3.807 -0.979 -4.211 1.00 0.00 H new ATOM 553 N HIS A 728 4.932 -1.974 -2.259 1.00 0.00 N ATOM 554 CA HIS A 728 5.739 -2.808 -1.488 1.00 0.00 C ATOM 555 C HIS A 728 6.576 -1.957 -0.587 1.00 0.00 C ATOM 556 O HIS A 728 6.512 -0.744 -0.678 1.00 0.00 O ATOM 557 CB HIS A 728 6.623 -3.609 -2.422 1.00 0.00 C ATOM 558 CG HIS A 728 7.571 -2.822 -3.291 1.00 0.00 C ATOM 559 ND1 HIS A 728 7.230 -2.314 -4.517 1.00 0.00 N ATOM 560 CD2 HIS A 728 8.854 -2.477 -3.091 1.00 0.00 C ATOM 561 CE1 HIS A 728 8.252 -1.690 -5.037 1.00 0.00 C ATOM 562 NE2 HIS A 728 9.266 -1.772 -4.194 1.00 0.00 N ATOM 0 H HIS A 728 5.431 -1.169 -2.637 1.00 0.00 H new ATOM 0 HA HIS A 728 5.139 -3.488 -0.884 1.00 0.00 H new ATOM 0 HB2 HIS A 728 7.209 -4.306 -1.823 1.00 0.00 H new ATOM 0 HB3 HIS A 728 5.982 -4.206 -3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 728 9.451 -2.711 -2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 728 8.266 -1.191 -5.995 1.00 0.00 H new ATOM 0 HE2 HIS A 728 10.196 -1.379 -4.338 1.00 0.00 H new ATOM 571 N ARG A 729 7.389 -2.575 0.228 1.00 0.00 N ATOM 572 CA ARG A 729 8.216 -1.834 1.160 1.00 0.00 C ATOM 573 C ARG A 729 9.657 -2.319 1.235 1.00 0.00 C ATOM 574 O ARG A 729 10.394 -1.880 2.076 1.00 0.00 O ATOM 575 CB ARG A 729 7.560 -1.786 2.559 1.00 0.00 C ATOM 576 CG ARG A 729 6.927 -3.100 3.048 1.00 0.00 C ATOM 577 CD ARG A 729 7.918 -4.243 3.207 1.00 0.00 C ATOM 578 NE ARG A 729 7.237 -5.482 3.615 1.00 0.00 N ATOM 579 CZ ARG A 729 7.741 -6.719 3.548 1.00 0.00 C ATOM 580 NH1 ARG A 729 8.989 -6.922 3.161 1.00 0.00 N ATOM 581 NH2 ARG A 729 6.979 -7.747 3.879 1.00 0.00 N ATOM 0 H ARG A 729 7.501 -3.588 0.270 1.00 0.00 H new ATOM 0 HA ARG A 729 8.277 -0.820 0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 729 8.314 -1.477 3.283 1.00 0.00 H new ATOM 0 HB3 ARG A 729 6.790 -1.015 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 729 6.438 -2.921 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 729 6.151 -3.401 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 729 8.444 -4.406 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 729 8.670 -3.976 3.950 1.00 0.00 H new ATOM 0 HE ARG A 729 6.291 -5.389 3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 729 9.580 -6.130 2.909 1.00 0.00 H new ATOM 0 HH12 ARG A 729 9.361 -7.871 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 729 6.017 -7.592 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 729 7.353 -8.695 3.832 1.00 0.00 H new ATOM 595 N SER A 730 10.068 -3.197 0.367 1.00 0.00 N ATOM 596 CA SER A 730 11.424 -3.682 0.456 1.00 0.00 C ATOM 597 C SER A 730 12.139 -3.631 -0.861 1.00 0.00 C ATOM 598 O SER A 730 11.529 -3.641 -1.941 1.00 0.00 O ATOM 599 CB SER A 730 11.454 -5.100 1.008 1.00 0.00 C ATOM 600 OG SER A 730 10.809 -5.175 2.259 1.00 0.00 O ATOM 0 H SER A 730 9.507 -3.586 -0.391 1.00 0.00 H new ATOM 0 HA SER A 730 11.950 -3.016 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 730 10.969 -5.777 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 730 12.487 -5.432 1.108 1.00 0.00 H new ATOM 0 HG SER A 730 11.329 -5.747 2.861 1.00 0.00 H new ATOM 606 N ILE A 731 13.423 -3.558 -0.761 1.00 0.00 N ATOM 607 CA ILE A 731 14.297 -3.575 -1.895 1.00 0.00 C ATOM 608 C ILE A 731 15.040 -4.864 -1.891 1.00 0.00 C ATOM 609 O ILE A 731 15.112 -5.501 -0.869 1.00 0.00 O ATOM 610 CB ILE A 731 15.307 -2.437 -1.868 1.00 0.00 C ATOM 611 CG1 ILE A 731 16.143 -2.496 -0.594 1.00 0.00 C ATOM 612 CG2 ILE A 731 14.588 -1.125 -1.969 1.00 0.00 C ATOM 613 CD1 ILE A 731 17.213 -1.463 -0.534 1.00 0.00 C ATOM 0 H ILE A 731 13.910 -3.483 0.132 1.00 0.00 H new ATOM 0 HA ILE A 731 13.687 -3.457 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 731 15.981 -2.537 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 731 15.486 -2.377 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 731 16.598 -3.483 -0.514 1.00 0.00 H new ATOM 0 HG21 ILE A 731 15.312 -0.311 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 731 14.026 -1.089 -2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 731 13.902 -1.020 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 731 17.766 -1.566 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 731 17.893 -1.595 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 731 16.764 -0.471 -0.582 1.00 0.00 H new ATOM 625 N THR A 732 15.582 -5.249 -2.996 1.00 0.00 N ATOM 626 CA THR A 732 16.287 -6.509 -3.058 1.00 0.00 C ATOM 627 C THR A 732 17.594 -6.368 -3.806 1.00 0.00 C ATOM 628 O THR A 732 17.654 -5.729 -4.836 1.00 0.00 O ATOM 629 CB THR A 732 15.403 -7.587 -3.713 1.00 0.00 C ATOM 630 OG1 THR A 732 14.117 -7.611 -3.034 1.00 0.00 O ATOM 631 CG2 THR A 732 16.047 -8.966 -3.592 1.00 0.00 C ATOM 0 H THR A 732 15.558 -4.723 -3.869 1.00 0.00 H new ATOM 0 HA THR A 732 16.517 -6.817 -2.038 1.00 0.00 H new ATOM 0 HB THR A 732 15.282 -7.348 -4.770 1.00 0.00 H new ATOM 0 HG1 THR A 732 13.544 -8.293 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 732 15.404 -9.710 -4.062 1.00 0.00 H new ATOM 0 HG22 THR A 732 17.017 -8.959 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 732 16.180 -9.214 -2.539 1.00 0.00 H new ATOM 639 N CYS A 733 18.628 -6.914 -3.245 1.00 0.00 N ATOM 640 CA CYS A 733 19.923 -6.907 -3.853 1.00 0.00 C ATOM 641 C CYS A 733 20.029 -8.068 -4.811 1.00 0.00 C ATOM 642 O CYS A 733 20.133 -9.232 -4.395 1.00 0.00 O ATOM 643 CB CYS A 733 21.016 -6.945 -2.780 1.00 0.00 C ATOM 644 SG CYS A 733 22.687 -7.339 -3.395 1.00 0.00 S ATOM 0 H CYS A 733 18.596 -7.383 -2.340 1.00 0.00 H new ATOM 0 HA CYS A 733 20.063 -5.986 -4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 733 21.048 -5.976 -2.281 1.00 0.00 H new ATOM 0 HB3 CYS A 733 20.739 -7.683 -2.027 1.00 0.00 H new ATOM 649 N ILE A 734 19.931 -7.751 -6.080 1.00 0.00 N ATOM 650 CA ILE A 734 19.966 -8.717 -7.148 1.00 0.00 C ATOM 651 C ILE A 734 20.732 -8.174 -8.340 1.00 0.00 C ATOM 652 O ILE A 734 20.739 -6.969 -8.570 1.00 0.00 O ATOM 653 CB ILE A 734 18.533 -9.208 -7.567 1.00 0.00 C ATOM 654 CG1 ILE A 734 17.453 -8.091 -7.508 1.00 0.00 C ATOM 655 CG2 ILE A 734 18.096 -10.415 -6.751 1.00 0.00 C ATOM 656 CD1 ILE A 734 17.649 -6.936 -8.463 1.00 0.00 C ATOM 0 H ILE A 734 19.822 -6.790 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 734 20.493 -9.592 -6.768 1.00 0.00 H new ATOM 0 HB ILE A 734 18.620 -9.503 -8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 734 16.480 -8.541 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 734 17.420 -7.697 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 734 17.101 -10.727 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 734 18.799 -11.233 -6.906 1.00 0.00 H new ATOM 0 HG23 ILE A 734 18.074 -10.151 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 734 16.839 -6.217 -8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 734 18.602 -6.449 -8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 734 17.647 -7.307 -9.488 1.00 0.00 H new ATOM 668 N HIS A 735 21.436 -9.053 -9.049 1.00 0.00 N ATOM 669 CA HIS A 735 22.234 -8.718 -10.257 1.00 0.00 C ATOM 670 C HIS A 735 23.502 -7.951 -9.906 1.00 0.00 C ATOM 671 O HIS A 735 24.596 -8.303 -10.332 1.00 0.00 O ATOM 672 CB HIS A 735 21.400 -7.970 -11.322 1.00 0.00 C ATOM 673 CG HIS A 735 20.419 -8.829 -12.058 1.00 0.00 C ATOM 674 ND1 HIS A 735 20.611 -9.237 -13.352 1.00 0.00 N ATOM 675 CD2 HIS A 735 19.231 -9.353 -11.677 1.00 0.00 C ATOM 676 CE1 HIS A 735 19.596 -9.976 -13.736 1.00 0.00 C ATOM 677 NE2 HIS A 735 18.743 -10.068 -12.743 1.00 0.00 N ATOM 0 H HIS A 735 21.478 -10.043 -8.806 1.00 0.00 H new ATOM 0 HA HIS A 735 22.538 -9.667 -10.698 1.00 0.00 H new ATOM 0 HB2 HIS A 735 20.860 -7.157 -10.837 1.00 0.00 H new ATOM 0 HB3 HIS A 735 22.079 -7.516 -12.044 1.00 0.00 H new ATOM 0 HD2 HIS A 735 18.756 -9.232 -10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 735 19.482 -10.433 -14.708 1.00 0.00 H new ATOM 0 HE2 HIS A 735 17.864 -10.585 -12.760 1.00 0.00 H new ATOM 686 N GLY A 736 23.336 -6.933 -9.131 1.00 0.00 N ATOM 687 CA GLY A 736 24.421 -6.130 -8.662 1.00 0.00 C ATOM 688 C GLY A 736 23.951 -4.768 -8.240 1.00 0.00 C ATOM 689 O GLY A 736 24.730 -3.818 -8.197 1.00 0.00 O ATOM 0 H GLY A 736 22.422 -6.627 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 736 24.906 -6.626 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 736 25.169 -6.031 -9.449 1.00 0.00 H new ATOM 693 N VAL A 737 22.689 -4.674 -7.888 1.00 0.00 N ATOM 694 CA VAL A 737 22.082 -3.438 -7.550 1.00 0.00 C ATOM 695 C VAL A 737 20.846 -3.775 -6.748 1.00 0.00 C ATOM 696 O VAL A 737 20.383 -4.922 -6.781 1.00 0.00 O ATOM 697 CB VAL A 737 21.704 -2.647 -8.864 1.00 0.00 C ATOM 698 CG1 VAL A 737 20.645 -3.373 -9.690 1.00 0.00 C ATOM 699 CG2 VAL A 737 21.287 -1.208 -8.583 1.00 0.00 C ATOM 0 H VAL A 737 22.059 -5.474 -7.832 1.00 0.00 H new ATOM 0 HA VAL A 737 22.754 -2.803 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 737 22.616 -2.607 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 737 20.418 -2.791 -10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 737 21.021 -4.354 -9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 737 19.739 -3.493 -9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 737 21.038 -0.711 -9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 737 20.416 -1.203 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 737 22.108 -0.679 -8.099 1.00 0.00 H new ATOM 709 N TRP A 738 20.377 -2.862 -5.975 1.00 0.00 N ATOM 710 CA TRP A 738 19.126 -3.060 -5.311 1.00 0.00 C ATOM 711 C TRP A 738 17.996 -2.808 -6.301 1.00 0.00 C ATOM 712 O TRP A 738 18.224 -2.297 -7.405 1.00 0.00 O ATOM 713 CB TRP A 738 18.995 -2.143 -4.119 1.00 0.00 C ATOM 714 CG TRP A 738 20.007 -2.377 -3.054 1.00 0.00 C ATOM 715 CD1 TRP A 738 21.203 -1.753 -2.921 1.00 0.00 C ATOM 716 CD2 TRP A 738 19.913 -3.283 -1.967 1.00 0.00 C ATOM 717 NE1 TRP A 738 21.848 -2.201 -1.818 1.00 0.00 N ATOM 718 CE2 TRP A 738 21.080 -3.144 -1.215 1.00 0.00 C ATOM 719 CE3 TRP A 738 18.953 -4.198 -1.552 1.00 0.00 C ATOM 720 CZ2 TRP A 738 21.311 -3.869 -0.081 1.00 0.00 C ATOM 721 CZ3 TRP A 738 19.184 -4.928 -0.416 1.00 0.00 C ATOM 722 CH2 TRP A 738 20.362 -4.754 0.314 1.00 0.00 C ATOM 0 H TRP A 738 20.834 -1.971 -5.783 1.00 0.00 H new ATOM 0 HA TRP A 738 19.074 -4.086 -4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 738 19.074 -1.110 -4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 738 18.000 -2.262 -3.691 1.00 0.00 H new ATOM 0 HD1 TRP A 738 21.587 -1.005 -3.599 1.00 0.00 H new ATOM 0 HE1 TRP A 738 22.761 -1.882 -1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 738 18.041 -4.331 -2.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 738 22.222 -3.741 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 738 18.448 -5.645 -0.082 1.00 0.00 H new ATOM 0 HH2 TRP A 738 20.520 -5.335 1.210 1.00 0.00 H new ATOM 733 N THR A 739 16.808 -3.127 -5.905 1.00 0.00 N ATOM 734 CA THR A 739 15.651 -3.011 -6.736 1.00 0.00 C ATOM 735 C THR A 739 15.171 -1.564 -6.920 1.00 0.00 C ATOM 736 O THR A 739 15.881 -0.589 -6.640 1.00 0.00 O ATOM 737 CB THR A 739 14.546 -3.930 -6.191 1.00 0.00 C ATOM 738 OG1 THR A 739 14.379 -3.703 -4.818 1.00 0.00 O ATOM 739 CG2 THR A 739 14.896 -5.383 -6.439 1.00 0.00 C ATOM 0 H THR A 739 16.608 -3.485 -4.971 1.00 0.00 H new ATOM 0 HA THR A 739 15.924 -3.335 -7.740 1.00 0.00 H new ATOM 0 HB THR A 739 13.613 -3.706 -6.709 1.00 0.00 H new ATOM 0 HG1 THR A 739 14.160 -2.760 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 739 14.103 -6.020 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 739 15.003 -5.554 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 739 15.834 -5.622 -5.938 1.00 0.00 H new ATOM 747 N GLN A 740 13.978 -1.460 -7.367 1.00 0.00 N ATOM 748 CA GLN A 740 13.359 -0.235 -7.820 1.00 0.00 C ATOM 749 C GLN A 740 13.077 0.774 -6.737 1.00 0.00 C ATOM 750 O GLN A 740 12.998 1.964 -7.038 1.00 0.00 O ATOM 751 CB GLN A 740 12.079 -0.549 -8.587 1.00 0.00 C ATOM 752 CG GLN A 740 10.905 -1.101 -7.765 1.00 0.00 C ATOM 753 CD GLN A 740 11.229 -2.315 -6.915 1.00 0.00 C ATOM 754 OE1 GLN A 740 11.549 -2.204 -5.723 1.00 0.00 O ATOM 755 NE2 GLN A 740 11.267 -3.423 -7.527 1.00 0.00 N ATOM 0 H GLN A 740 13.355 -2.264 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 740 14.095 0.237 -8.471 1.00 0.00 H new ATOM 0 HB2 GLN A 740 11.748 0.362 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 740 12.318 -1.271 -9.368 1.00 0.00 H new ATOM 0 HG2 GLN A 740 10.534 -0.310 -7.114 1.00 0.00 H new ATOM 0 HG3 GLN A 740 10.095 -1.360 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 740 10.995 -3.473 -8.509 1.00 0.00 H new ATOM 0 HE22 GLN A 740 11.569 -4.266 -7.038 1.00 0.00 H new ATOM 764 N LEU A 741 12.950 0.292 -5.500 1.00 0.00 N ATOM 765 CA LEU A 741 12.538 1.104 -4.320 1.00 0.00 C ATOM 766 C LEU A 741 11.010 1.229 -4.302 1.00 0.00 C ATOM 767 O LEU A 741 10.369 1.167 -5.353 1.00 0.00 O ATOM 768 CB LEU A 741 13.199 2.528 -4.265 1.00 0.00 C ATOM 769 CG LEU A 741 14.632 2.685 -3.710 1.00 0.00 C ATOM 770 CD1 LEU A 741 14.686 2.371 -2.229 1.00 0.00 C ATOM 771 CD2 LEU A 741 15.639 1.852 -4.483 1.00 0.00 C ATOM 0 H LEU A 741 13.130 -0.686 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 741 12.894 0.577 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 741 13.197 2.928 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 741 12.547 3.167 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 741 14.911 3.730 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 741 15.708 2.491 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 741 14.029 3.052 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 741 14.361 1.344 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 741 16.632 1.994 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 741 15.365 0.799 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 741 15.644 2.164 -5.527 1.00 0.00 H new ATOM 783 N PRO A 742 10.392 1.314 -3.115 1.00 0.00 N ATOM 784 CA PRO A 742 8.949 1.503 -3.008 1.00 0.00 C ATOM 785 C PRO A 742 8.502 2.927 -3.386 1.00 0.00 C ATOM 786 O PRO A 742 9.310 3.756 -3.827 1.00 0.00 O ATOM 787 CB PRO A 742 8.633 1.204 -1.549 1.00 0.00 C ATOM 788 CG PRO A 742 9.914 1.320 -0.807 1.00 0.00 C ATOM 789 CD PRO A 742 11.039 1.199 -1.798 1.00 0.00 C ATOM 0 HA PRO A 742 8.416 0.853 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 742 7.895 1.906 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 742 8.211 0.205 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 742 9.967 2.276 -0.286 1.00 0.00 H new ATOM 0 HG3 PRO A 742 9.988 0.539 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 742 11.781 1.984 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 742 11.558 0.246 -1.694 1.00 0.00 H new ATOM 797 N GLN A 743 7.232 3.198 -3.228 1.00 0.00 N ATOM 798 CA GLN A 743 6.680 4.483 -3.582 1.00 0.00 C ATOM 799 C GLN A 743 6.072 5.138 -2.354 1.00 0.00 C ATOM 800 O GLN A 743 5.257 4.529 -1.673 1.00 0.00 O ATOM 801 CB GLN A 743 5.614 4.298 -4.678 1.00 0.00 C ATOM 802 CG GLN A 743 5.000 5.592 -5.198 1.00 0.00 C ATOM 803 CD GLN A 743 3.981 5.374 -6.315 1.00 0.00 C ATOM 804 OE1 GLN A 743 4.140 4.326 -7.091 1.00 0.00 O flip ATOM 805 NE2 GLN A 743 3.035 6.147 -6.463 1.00 0.00 N flip ATOM 0 H GLN A 743 6.552 2.537 -2.852 1.00 0.00 H new ATOM 0 HA GLN A 743 7.471 5.129 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 743 6.063 3.763 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 743 4.817 3.666 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 743 4.517 6.114 -4.372 1.00 0.00 H new ATOM 0 HG3 GLN A 743 5.795 6.242 -5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 743 2.934 6.954 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 743 2.352 5.981 -7.202 1.00 0.00 H new ATOM 814 N CYS A 744 6.476 6.351 -2.061 1.00 0.00 N ATOM 815 CA CYS A 744 5.908 7.081 -0.946 1.00 0.00 C ATOM 816 C CYS A 744 5.244 8.325 -1.441 1.00 0.00 C ATOM 817 O CYS A 744 5.897 9.243 -1.943 1.00 0.00 O ATOM 818 CB CYS A 744 6.935 7.423 0.140 1.00 0.00 C ATOM 819 SG CYS A 744 7.527 6.015 1.126 1.00 0.00 S ATOM 0 H CYS A 744 7.196 6.856 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 744 5.173 6.425 -0.479 1.00 0.00 H new ATOM 0 HB2 CYS A 744 7.793 7.900 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 744 6.494 8.157 0.814 1.00 0.00 H new ATOM 824 N VAL A 745 3.954 8.354 -1.340 1.00 0.00 N ATOM 825 CA VAL A 745 3.202 9.477 -1.773 1.00 0.00 C ATOM 826 C VAL A 745 2.836 10.294 -0.573 1.00 0.00 C ATOM 827 O VAL A 745 2.560 9.759 0.465 1.00 0.00 O ATOM 828 CB VAL A 745 1.927 9.079 -2.551 1.00 0.00 C ATOM 829 CG1 VAL A 745 1.196 10.308 -3.098 1.00 0.00 C ATOM 830 CG2 VAL A 745 2.244 8.096 -3.666 1.00 0.00 C ATOM 0 H VAL A 745 3.394 7.594 -0.953 1.00 0.00 H new ATOM 0 HA VAL A 745 3.819 10.052 -2.463 1.00 0.00 H new ATOM 0 HB VAL A 745 1.260 8.583 -1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 745 0.305 9.990 -3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 745 0.907 10.957 -2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 745 1.856 10.853 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 745 1.326 7.836 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 745 2.947 8.551 -4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 745 2.686 7.195 -3.242 1.00 0.00 H new ATOM 840 N ALA A 746 2.805 11.580 -0.755 1.00 0.00 N ATOM 841 CA ALA A 746 2.529 12.592 0.306 1.00 0.00 C ATOM 842 C ALA A 746 1.114 12.524 0.862 1.00 0.00 C ATOM 843 O ALA A 746 0.679 13.407 1.606 1.00 0.00 O ATOM 844 CB ALA A 746 2.781 13.960 -0.236 1.00 0.00 C ATOM 0 H ALA A 746 2.973 12.003 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 746 3.201 12.366 1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 746 2.580 14.701 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 746 3.821 14.040 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 746 2.127 14.140 -1.089 1.00 0.00 H new ATOM 850 N ILE A 747 0.393 11.544 0.393 1.00 0.00 N ATOM 851 CA ILE A 747 -0.946 11.159 0.845 1.00 0.00 C ATOM 852 C ILE A 747 -2.014 12.045 0.252 1.00 0.00 C ATOM 853 O ILE A 747 -3.116 11.622 -0.052 1.00 0.00 O ATOM 854 CB ILE A 747 -0.969 11.135 2.382 1.00 0.00 C ATOM 855 CG1 ILE A 747 -0.278 9.898 2.927 1.00 0.00 C ATOM 856 CG2 ILE A 747 -2.345 11.358 3.004 1.00 0.00 C ATOM 857 CD1 ILE A 747 -0.210 9.827 4.439 1.00 0.00 C ATOM 0 H ILE A 747 0.731 10.947 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 747 -1.176 10.156 0.486 1.00 0.00 H new ATOM 0 HB ILE A 747 -0.393 12.007 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 747 -0.799 9.015 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 747 0.736 9.859 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 747 -2.263 11.324 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 747 -2.729 12.332 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 747 -3.027 10.578 2.667 1.00 0.00 H new ATOM 0 HD11 ILE A 747 0.300 8.911 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 747 0.339 10.688 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 747 -1.220 9.831 4.849 1.00 0.00 H new ATOM 869 N ASP A 748 -1.604 13.184 -0.050 1.00 0.00 N ATOM 870 CA ASP A 748 -2.447 14.251 -0.487 1.00 0.00 C ATOM 871 C ASP A 748 -2.712 14.106 -1.956 1.00 0.00 C ATOM 872 O ASP A 748 -3.742 14.517 -2.480 1.00 0.00 O ATOM 873 CB ASP A 748 -1.713 15.528 -0.208 1.00 0.00 C ATOM 874 CG ASP A 748 -2.513 16.749 -0.560 1.00 0.00 C ATOM 875 OD1 ASP A 748 -3.568 16.976 0.068 1.00 0.00 O ATOM 876 OD2 ASP A 748 -2.095 17.513 -1.440 1.00 0.00 O ATOM 0 H ASP A 748 -0.618 13.443 -0.007 1.00 0.00 H new ATOM 0 HA ASP A 748 -3.406 14.242 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 748 -1.448 15.566 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 748 -0.780 15.536 -0.772 1.00 0.00 H new ATOM 881 N LYS A 749 -1.787 13.449 -2.593 1.00 0.00 N ATOM 882 CA LYS A 749 -1.830 13.208 -4.000 1.00 0.00 C ATOM 883 C LYS A 749 -2.019 11.740 -4.284 1.00 0.00 C ATOM 884 O LYS A 749 -1.494 11.186 -5.249 1.00 0.00 O ATOM 885 CB LYS A 749 -0.596 13.746 -4.657 1.00 0.00 C ATOM 886 CG LYS A 749 0.621 13.671 -3.800 1.00 0.00 C ATOM 887 CD LYS A 749 1.812 14.353 -4.455 1.00 0.00 C ATOM 888 CE LYS A 749 2.196 13.660 -5.751 1.00 0.00 C ATOM 889 NZ LYS A 749 3.354 14.294 -6.400 1.00 0.00 N ATOM 0 H LYS A 749 -0.964 13.058 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 749 -2.687 13.733 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 749 -0.415 13.193 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 749 -0.768 14.785 -4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 749 0.418 14.139 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 749 0.863 12.627 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 749 1.572 15.397 -4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 749 2.660 14.346 -3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 749 2.424 12.614 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 749 1.346 13.674 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 749 3.579 13.787 -7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 749 3.129 15.286 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 749 4.173 14.258 -5.760 1.00 0.00 H new ATOM 903 N LEU A 750 -2.776 11.119 -3.422 1.00 0.00 N ATOM 904 CA LEU A 750 -3.139 9.762 -3.534 1.00 0.00 C ATOM 905 C LEU A 750 -4.268 9.629 -4.557 1.00 0.00 C ATOM 906 O LEU A 750 -4.568 10.565 -5.294 1.00 0.00 O ATOM 907 CB LEU A 750 -3.545 9.237 -2.139 1.00 0.00 C ATOM 908 CG LEU A 750 -2.692 8.119 -1.549 1.00 0.00 C ATOM 909 CD1 LEU A 750 -1.265 8.472 -1.636 1.00 0.00 C ATOM 910 CD2 LEU A 750 -3.020 7.923 -0.111 1.00 0.00 C ATOM 0 H LEU A 750 -3.164 11.575 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 750 -2.303 9.159 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -3.533 10.076 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -4.575 8.885 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 750 -2.897 7.209 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -0.665 7.667 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -0.990 8.619 -2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -1.083 9.392 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -2.404 7.122 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -2.825 8.845 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -4.072 7.658 -0.011 1.00 0.00 H new ATOM 922 N LYS A 751 -4.890 8.514 -4.579 1.00 0.00 N ATOM 923 CA LYS A 751 -5.875 8.218 -5.545 1.00 0.00 C ATOM 924 C LYS A 751 -7.164 7.912 -4.867 1.00 0.00 C ATOM 925 O LYS A 751 -7.256 7.884 -3.631 1.00 0.00 O ATOM 926 CB LYS A 751 -5.466 7.011 -6.405 1.00 0.00 C ATOM 927 CG LYS A 751 -4.268 7.228 -7.304 1.00 0.00 C ATOM 928 CD LYS A 751 -3.971 5.983 -8.126 1.00 0.00 C ATOM 929 CE LYS A 751 -5.061 5.685 -9.161 1.00 0.00 C ATOM 930 NZ LYS A 751 -5.170 6.756 -10.185 1.00 0.00 N ATOM 0 H LYS A 751 -4.725 7.762 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 751 -5.984 9.088 -6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 751 -5.255 6.171 -5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 751 -6.316 6.723 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 751 -4.456 8.071 -7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 751 -3.398 7.486 -6.700 1.00 0.00 H new ATOM 0 HD2 LYS A 751 -3.016 6.108 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 751 -3.866 5.128 -7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 751 -4.844 4.736 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 751 -6.019 5.570 -8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 751 -5.780 6.432 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 751 -5.581 7.608 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 751 -4.225 6.978 -10.557 1.00 0.00 H new ATOM 944 N LYS A 752 -8.086 7.611 -5.674 1.00 0.00 N ATOM 945 CA LYS A 752 -9.411 7.303 -5.333 1.00 0.00 C ATOM 946 C LYS A 752 -9.653 5.871 -5.687 1.00 0.00 C ATOM 947 O LYS A 752 -9.281 5.396 -6.771 1.00 0.00 O ATOM 948 CB LYS A 752 -10.403 8.153 -6.126 1.00 0.00 C ATOM 949 CG LYS A 752 -10.212 9.654 -6.014 1.00 0.00 C ATOM 950 CD LYS A 752 -11.209 10.389 -6.894 1.00 0.00 C ATOM 951 CE LYS A 752 -11.082 9.956 -8.351 1.00 0.00 C ATOM 952 NZ LYS A 752 -12.019 10.675 -9.227 1.00 0.00 N ATOM 0 H LYS A 752 -7.925 7.568 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 752 -9.553 7.497 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 752 -10.336 7.873 -7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 752 -11.412 7.907 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 752 -10.336 9.965 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 752 -9.196 9.919 -6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 752 -12.222 10.195 -6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 752 -11.044 11.464 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 752 -10.062 10.130 -8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 752 -11.265 8.884 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 752 -11.898 10.349 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 752 -12.995 10.489 -8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 752 -11.828 11.696 -9.176 1.00 0.00 H new ATOM 966 N CYS A 753 -10.214 5.218 -4.789 1.00 0.00 N ATOM 967 CA CYS A 753 -10.616 3.856 -4.912 1.00 0.00 C ATOM 968 C CYS A 753 -12.018 3.823 -5.428 1.00 0.00 C ATOM 969 O CYS A 753 -12.661 4.866 -5.548 1.00 0.00 O ATOM 970 CB CYS A 753 -10.613 3.217 -3.555 1.00 0.00 C ATOM 971 SG CYS A 753 -9.025 3.376 -2.692 1.00 0.00 S ATOM 0 H CYS A 753 -10.433 5.618 -3.877 1.00 0.00 H new ATOM 0 HA CYS A 753 -9.937 3.329 -5.582 1.00 0.00 H new ATOM 0 HB2 CYS A 753 -11.396 3.669 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 753 -10.859 2.160 -3.658 1.00 0.00 H new ATOM 976 N LYS A 754 -12.509 2.670 -5.709 1.00 0.00 N ATOM 977 CA LYS A 754 -13.849 2.554 -6.148 1.00 0.00 C ATOM 978 C LYS A 754 -14.461 1.299 -5.611 1.00 0.00 C ATOM 979 O LYS A 754 -13.751 0.342 -5.268 1.00 0.00 O ATOM 980 CB LYS A 754 -13.921 2.606 -7.669 1.00 0.00 C ATOM 981 CG LYS A 754 -13.202 1.479 -8.394 1.00 0.00 C ATOM 982 CD LYS A 754 -13.095 1.792 -9.872 1.00 0.00 C ATOM 983 CE LYS A 754 -14.460 2.010 -10.497 1.00 0.00 C ATOM 984 NZ LYS A 754 -14.352 2.642 -11.820 1.00 0.00 N ATOM 0 H LYS A 754 -11.998 1.790 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 754 -14.422 3.398 -5.764 1.00 0.00 H new ATOM 0 HB2 LYS A 754 -14.969 2.596 -7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 754 -13.503 3.556 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 754 -12.207 1.341 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 754 -13.741 0.543 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 754 -12.483 2.683 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 754 -12.587 0.973 -10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 754 -14.976 1.054 -10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 754 -15.066 2.636 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 754 -15.303 2.777 -12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 754 -13.882 3.565 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 754 -13.795 2.032 -12.452 1.00 0.00 H new ATOM 998 N SER A 755 -15.740 1.342 -5.456 1.00 0.00 N ATOM 999 CA SER A 755 -16.516 0.202 -5.039 1.00 0.00 C ATOM 1000 C SER A 755 -16.431 -0.946 -6.057 1.00 0.00 C ATOM 1001 O SER A 755 -16.652 -0.752 -7.271 1.00 0.00 O ATOM 1002 CB SER A 755 -17.963 0.643 -4.824 1.00 0.00 C ATOM 1003 OG SER A 755 -18.449 1.373 -5.952 1.00 0.00 O ATOM 0 H SER A 755 -16.296 2.182 -5.616 1.00 0.00 H new ATOM 0 HA SER A 755 -16.109 -0.182 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 755 -18.592 -0.231 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 755 -18.029 1.262 -3.930 1.00 0.00 H new ATOM 0 HG SER A 755 -17.980 1.077 -6.760 1.00 0.00 H new ATOM 1009 N SER A 756 -16.058 -2.105 -5.579 1.00 0.00 N ATOM 1010 CA SER A 756 -16.020 -3.282 -6.387 1.00 0.00 C ATOM 1011 C SER A 756 -17.474 -3.751 -6.662 1.00 0.00 C ATOM 1012 O SER A 756 -18.315 -3.784 -5.751 1.00 0.00 O ATOM 1013 CB SER A 756 -15.225 -4.337 -5.639 1.00 0.00 C ATOM 1014 OG SER A 756 -13.996 -3.792 -5.172 1.00 0.00 O ATOM 0 H SER A 756 -15.772 -2.253 -4.611 1.00 0.00 H new ATOM 0 HA SER A 756 -15.541 -3.093 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 756 -15.807 -4.712 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 756 -15.028 -5.186 -6.294 1.00 0.00 H new ATOM 0 HG SER A 756 -13.494 -4.482 -4.690 1.00 0.00 H new ATOM 1020 N ASN A 757 -17.746 -4.122 -7.890 1.00 0.00 N ATOM 1021 CA ASN A 757 -19.107 -4.463 -8.368 1.00 0.00 C ATOM 1022 C ASN A 757 -19.644 -5.796 -7.841 1.00 0.00 C ATOM 1023 O ASN A 757 -20.794 -6.147 -8.092 1.00 0.00 O ATOM 1024 CB ASN A 757 -19.161 -4.482 -9.909 1.00 0.00 C ATOM 1025 CG ASN A 757 -18.262 -5.548 -10.554 1.00 0.00 C ATOM 1026 OD1 ASN A 757 -17.198 -5.896 -10.035 1.00 0.00 O ATOM 1027 ND2 ASN A 757 -18.683 -6.069 -11.678 1.00 0.00 N ATOM 0 H ASN A 757 -17.032 -4.204 -8.613 1.00 0.00 H new ATOM 0 HA ASN A 757 -19.748 -3.677 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 757 -20.191 -4.651 -10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 757 -18.870 -3.501 -10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 757 -18.127 -6.783 -12.149 1.00 0.00 H new ATOM 0 HD22 ASN A 757 -19.567 -5.761 -12.083 1.00 0.00 H new ATOM 1034 N LEU A 758 -18.846 -6.527 -7.117 1.00 0.00 N ATOM 1035 CA LEU A 758 -19.276 -7.831 -6.649 1.00 0.00 C ATOM 1036 C LEU A 758 -19.604 -7.797 -5.171 1.00 0.00 C ATOM 1037 O LEU A 758 -20.355 -8.630 -4.664 1.00 0.00 O ATOM 1038 CB LEU A 758 -18.199 -8.876 -6.935 1.00 0.00 C ATOM 1039 CG LEU A 758 -17.816 -9.057 -8.408 1.00 0.00 C ATOM 1040 CD1 LEU A 758 -16.721 -10.091 -8.545 1.00 0.00 C ATOM 1041 CD2 LEU A 758 -19.030 -9.450 -9.245 1.00 0.00 C ATOM 0 H LEU A 758 -17.904 -6.255 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 758 -20.183 -8.105 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 758 -17.302 -8.607 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 758 -18.540 -9.836 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 758 -17.444 -8.103 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 758 -16.460 -10.208 -9.597 1.00 0.00 H new ATOM 0 HD12 LEU A 758 -15.842 -9.767 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 758 -17.070 -11.045 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 758 -18.730 -9.572 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 758 -19.440 -10.389 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 758 -19.788 -8.670 -9.175 1.00 0.00 H new ATOM 1053 N ILE A 759 -19.071 -6.817 -4.492 1.00 0.00 N ATOM 1054 CA ILE A 759 -19.246 -6.702 -3.080 1.00 0.00 C ATOM 1055 C ILE A 759 -20.344 -5.720 -2.747 1.00 0.00 C ATOM 1056 O ILE A 759 -20.870 -5.038 -3.628 1.00 0.00 O ATOM 1057 CB ILE A 759 -17.909 -6.331 -2.379 1.00 0.00 C ATOM 1058 CG1 ILE A 759 -17.262 -5.062 -2.968 1.00 0.00 C ATOM 1059 CG2 ILE A 759 -16.936 -7.495 -2.441 1.00 0.00 C ATOM 1060 CD1 ILE A 759 -17.822 -3.739 -2.483 1.00 0.00 C ATOM 0 H ILE A 759 -18.504 -6.078 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 759 -19.554 -7.675 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 759 -18.148 -6.114 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 759 -16.196 -5.085 -2.744 1.00 0.00 H new ATOM 0 HG13 ILE A 759 -17.361 -5.099 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 759 -16.005 -7.218 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 759 -17.371 -8.360 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 759 -16.732 -7.744 -3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 759 -17.289 -2.920 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 759 -18.882 -3.679 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 759 -17.698 -3.666 -1.403 1.00 0.00 H new ATOM 1072 N ILE A 760 -20.696 -5.676 -1.510 1.00 0.00 N ATOM 1073 CA ILE A 760 -21.707 -4.783 -1.027 1.00 0.00 C ATOM 1074 C ILE A 760 -21.045 -3.847 -0.039 1.00 0.00 C ATOM 1075 O ILE A 760 -20.214 -4.290 0.756 1.00 0.00 O ATOM 1076 CB ILE A 760 -22.879 -5.543 -0.292 1.00 0.00 C ATOM 1077 CG1 ILE A 760 -23.636 -6.546 -1.200 1.00 0.00 C ATOM 1078 CG2 ILE A 760 -23.874 -4.569 0.322 1.00 0.00 C ATOM 1079 CD1 ILE A 760 -22.890 -7.823 -1.528 1.00 0.00 C ATOM 0 H ILE A 760 -20.286 -6.268 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 760 -22.142 -4.255 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 760 -22.393 -6.120 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 760 -24.576 -6.810 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 760 -23.889 -6.044 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 760 -24.668 -5.126 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 760 -23.363 -3.937 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 760 -24.305 -3.946 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 760 -23.509 -8.452 -2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 760 -21.963 -7.580 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 760 -22.660 -8.357 -0.606 1.00 0.00 H new ATOM 1091 N LEU A 761 -21.356 -2.578 -0.119 1.00 0.00 N ATOM 1092 CA LEU A 761 -20.846 -1.622 0.828 1.00 0.00 C ATOM 1093 C LEU A 761 -21.956 -1.199 1.757 1.00 0.00 C ATOM 1094 O LEU A 761 -23.102 -1.645 1.603 1.00 0.00 O ATOM 1095 CB LEU A 761 -20.271 -0.402 0.115 1.00 0.00 C ATOM 1096 CG LEU A 761 -19.057 -0.654 -0.770 1.00 0.00 C ATOM 1097 CD1 LEU A 761 -18.590 0.613 -1.360 1.00 0.00 C ATOM 1098 CD2 LEU A 761 -17.948 -1.311 0.014 1.00 0.00 C ATOM 0 H LEU A 761 -21.964 -2.182 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 761 -20.044 -2.089 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 761 -21.057 0.039 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 761 -20.000 0.339 0.867 1.00 0.00 H new ATOM 0 HG LEU A 761 -19.350 -1.330 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 761 -17.722 0.422 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 761 -19.387 1.050 -1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 761 -18.315 1.305 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 761 -17.092 -1.481 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 761 -17.652 -0.663 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 761 -18.298 -2.265 0.409 1.00 0.00 H new ATOM 1110 N GLU A 762 -21.628 -0.368 2.723 1.00 0.00 N ATOM 1111 CA GLU A 762 -22.608 0.149 3.660 1.00 0.00 C ATOM 1112 C GLU A 762 -23.672 0.971 2.932 1.00 0.00 C ATOM 1113 O GLU A 762 -23.438 1.483 1.832 1.00 0.00 O ATOM 1114 CB GLU A 762 -21.932 1.020 4.703 1.00 0.00 C ATOM 1115 CG GLU A 762 -20.924 0.302 5.569 1.00 0.00 C ATOM 1116 CD GLU A 762 -20.274 1.235 6.549 1.00 0.00 C ATOM 1117 OE1 GLU A 762 -20.920 1.593 7.573 1.00 0.00 O ATOM 1118 OE2 GLU A 762 -19.141 1.656 6.302 1.00 0.00 O ATOM 0 H GLU A 762 -20.678 -0.031 2.883 1.00 0.00 H new ATOM 0 HA GLU A 762 -23.086 -0.700 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -21.433 1.847 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -22.698 1.455 5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -21.417 -0.507 6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -20.161 -0.154 4.938 1.00 0.00 H new ATOM 1125 N GLU A 763 -24.790 1.183 3.585 1.00 0.00 N ATOM 1126 CA GLU A 763 -25.931 1.907 3.001 1.00 0.00 C ATOM 1127 C GLU A 763 -25.615 3.388 2.843 1.00 0.00 C ATOM 1128 O GLU A 763 -26.352 4.136 2.208 1.00 0.00 O ATOM 1129 CB GLU A 763 -27.174 1.730 3.869 1.00 0.00 C ATOM 1130 CG GLU A 763 -27.649 0.299 3.995 1.00 0.00 C ATOM 1131 CD GLU A 763 -27.991 -0.287 2.663 1.00 0.00 C ATOM 1132 OE1 GLU A 763 -29.128 -0.104 2.186 1.00 0.00 O ATOM 1133 OE2 GLU A 763 -27.121 -0.928 2.043 1.00 0.00 O ATOM 0 H GLU A 763 -24.950 0.863 4.540 1.00 0.00 H new ATOM 0 HA GLU A 763 -26.124 1.489 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 763 -26.965 2.120 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 763 -27.981 2.333 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 763 -26.873 -0.302 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 763 -28.523 0.261 4.645 1.00 0.00 H new ATOM 1140 N HIS A 764 -24.518 3.782 3.411 1.00 0.00 N ATOM 1141 CA HIS A 764 -24.046 5.137 3.330 1.00 0.00 C ATOM 1142 C HIS A 764 -22.806 5.230 2.464 1.00 0.00 C ATOM 1143 O HIS A 764 -22.272 6.302 2.256 1.00 0.00 O ATOM 1144 CB HIS A 764 -23.838 5.791 4.737 1.00 0.00 C ATOM 1145 CG HIS A 764 -23.517 4.849 5.884 1.00 0.00 C ATOM 1146 ND1 HIS A 764 -24.483 4.164 6.582 1.00 0.00 N ATOM 1147 CD2 HIS A 764 -22.349 4.491 6.442 1.00 0.00 C ATOM 1148 CE1 HIS A 764 -23.917 3.430 7.514 1.00 0.00 C ATOM 1149 NE2 HIS A 764 -22.618 3.611 7.447 1.00 0.00 N ATOM 0 H HIS A 764 -23.913 3.165 3.953 1.00 0.00 H new ATOM 0 HA HIS A 764 -24.830 5.721 2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 764 -23.031 6.519 4.658 1.00 0.00 H new ATOM 0 HB3 HIS A 764 -24.742 6.344 4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 764 -21.370 4.839 6.147 1.00 0.00 H new ATOM 0 HE1 HIS A 764 -24.432 2.789 8.214 1.00 0.00 H new ATOM 0 HE2 HIS A 764 -21.925 3.166 8.048 1.00 0.00 H new ATOM 1158 N LEU A 765 -22.355 4.091 1.941 1.00 0.00 N ATOM 1159 CA LEU A 765 -21.172 4.071 1.114 1.00 0.00 C ATOM 1160 C LEU A 765 -21.391 3.472 -0.271 1.00 0.00 C ATOM 1161 O LEU A 765 -20.563 3.656 -1.139 1.00 0.00 O ATOM 1162 CB LEU A 765 -19.974 3.408 1.801 1.00 0.00 C ATOM 1163 CG LEU A 765 -19.265 4.205 2.910 1.00 0.00 C ATOM 1164 CD1 LEU A 765 -18.979 5.638 2.495 1.00 0.00 C ATOM 1165 CD2 LEU A 765 -20.004 4.153 4.209 1.00 0.00 C ATOM 0 H LEU A 765 -22.794 3.181 2.080 1.00 0.00 H new ATOM 0 HA LEU A 765 -20.937 5.125 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 765 -20.311 2.463 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 765 -19.237 3.167 1.035 1.00 0.00 H new ATOM 0 HG LEU A 765 -18.304 3.715 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 765 -18.478 6.160 3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 765 -18.337 5.640 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 765 -19.916 6.143 2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 765 -19.463 4.730 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 765 -21.001 4.573 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 765 -20.087 3.118 4.539 1.00 0.00 H new ATOM 1177 N LYS A 766 -22.504 2.769 -0.503 1.00 0.00 N ATOM 1178 CA LYS A 766 -22.757 2.238 -1.846 1.00 0.00 C ATOM 1179 C LYS A 766 -23.035 3.380 -2.818 1.00 0.00 C ATOM 1180 O LYS A 766 -22.916 3.224 -4.037 1.00 0.00 O ATOM 1181 CB LYS A 766 -23.927 1.264 -1.881 1.00 0.00 C ATOM 1182 CG LYS A 766 -23.780 0.026 -1.034 1.00 0.00 C ATOM 1183 CD LYS A 766 -24.822 -1.042 -1.389 1.00 0.00 C ATOM 1184 CE LYS A 766 -26.243 -0.484 -1.501 1.00 0.00 C ATOM 1185 NZ LYS A 766 -26.693 0.209 -0.284 1.00 0.00 N ATOM 0 H LYS A 766 -23.220 2.560 0.193 1.00 0.00 H new ATOM 0 HA LYS A 766 -21.859 1.694 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 766 -24.825 1.794 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 766 -24.088 0.957 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 766 -22.780 -0.386 -1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 766 -23.879 0.293 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 766 -24.546 -1.509 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 766 -24.804 -1.824 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 766 -26.289 0.207 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 766 -26.930 -1.301 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 -27.655 0.578 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 -26.695 -0.457 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 -26.048 0.998 -0.075 1.00 0.00 H new ATOM 1199 N ASN A 767 -23.398 4.526 -2.254 1.00 0.00 N ATOM 1200 CA ASN A 767 -23.698 5.746 -3.010 1.00 0.00 C ATOM 1201 C ASN A 767 -22.399 6.438 -3.431 1.00 0.00 C ATOM 1202 O ASN A 767 -22.379 7.255 -4.346 1.00 0.00 O ATOM 1203 CB ASN A 767 -24.549 6.699 -2.140 1.00 0.00 C ATOM 1204 CG ASN A 767 -25.001 7.974 -2.862 1.00 0.00 C ATOM 1205 OD1 ASN A 767 -26.066 8.001 -3.490 1.00 0.00 O ATOM 1206 ND2 ASN A 767 -24.238 9.034 -2.750 1.00 0.00 N ATOM 0 H ASN A 767 -23.495 4.640 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 767 -24.259 5.482 -3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 767 -25.430 6.162 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 767 -23.973 6.979 -1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 767 -24.517 9.912 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 767 -23.365 8.981 -2.225 1.00 0.00 H new ATOM 1213 N LYS A 768 -21.313 6.072 -2.787 1.00 0.00 N ATOM 1214 CA LYS A 768 -20.029 6.659 -3.041 1.00 0.00 C ATOM 1215 C LYS A 768 -19.444 5.875 -4.200 1.00 0.00 C ATOM 1216 O LYS A 768 -19.133 4.692 -4.048 1.00 0.00 O ATOM 1217 CB LYS A 768 -19.136 6.461 -1.803 1.00 0.00 C ATOM 1218 CG LYS A 768 -17.980 7.447 -1.637 1.00 0.00 C ATOM 1219 CD LYS A 768 -18.437 8.791 -1.059 1.00 0.00 C ATOM 1220 CE LYS A 768 -19.025 8.614 0.348 1.00 0.00 C ATOM 1221 NZ LYS A 768 -19.430 9.889 0.980 1.00 0.00 N ATOM 0 H LYS A 768 -21.303 5.351 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 768 -20.100 7.724 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 768 -19.765 6.519 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 768 -18.723 5.453 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 768 -17.225 7.011 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 768 -17.506 7.613 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 768 -17.593 9.480 -1.020 1.00 0.00 H new ATOM 0 HD3 LYS A 768 -19.184 9.238 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 768 -19.891 7.954 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 768 -18.289 8.120 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 768 -19.818 9.700 1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 768 -18.602 10.513 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 768 -20.155 10.352 0.395 1.00 0.00 H new ATOM 1235 N LYS A 769 -19.378 6.470 -5.367 1.00 0.00 N ATOM 1236 CA LYS A 769 -18.848 5.758 -6.515 1.00 0.00 C ATOM 1237 C LYS A 769 -17.344 5.634 -6.419 1.00 0.00 C ATOM 1238 O LYS A 769 -16.759 4.623 -6.820 1.00 0.00 O ATOM 1239 CB LYS A 769 -19.267 6.414 -7.844 1.00 0.00 C ATOM 1240 CG LYS A 769 -18.817 7.861 -8.030 1.00 0.00 C ATOM 1241 CD LYS A 769 -19.225 8.397 -9.394 1.00 0.00 C ATOM 1242 CE LYS A 769 -20.736 8.395 -9.581 1.00 0.00 C ATOM 1243 NZ LYS A 769 -21.420 9.316 -8.651 1.00 0.00 N ATOM 0 H LYS A 769 -19.677 7.428 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 769 -19.277 4.756 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -18.868 5.819 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -20.354 6.376 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -19.253 8.483 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -17.734 7.924 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -18.847 9.412 -9.512 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -18.763 7.792 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -20.973 8.677 -10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -21.116 7.384 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -22.426 9.382 -8.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -21.331 8.957 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -20.985 10.259 -8.713 1.00 0.00 H new ATOM 1257 N GLU A 770 -16.743 6.633 -5.830 1.00 0.00 N ATOM 1258 CA GLU A 770 -15.316 6.712 -5.702 1.00 0.00 C ATOM 1259 C GLU A 770 -14.998 7.052 -4.299 1.00 0.00 C ATOM 1260 O GLU A 770 -15.661 7.890 -3.679 1.00 0.00 O ATOM 1261 CB GLU A 770 -14.747 7.787 -6.603 1.00 0.00 C ATOM 1262 CG GLU A 770 -15.027 7.582 -8.061 1.00 0.00 C ATOM 1263 CD GLU A 770 -14.170 6.544 -8.734 1.00 0.00 C ATOM 1264 OE1 GLU A 770 -12.963 6.799 -8.937 1.00 0.00 O ATOM 1265 OE2 GLU A 770 -14.702 5.504 -9.178 1.00 0.00 O ATOM 0 H GLU A 770 -17.239 7.425 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 770 -14.880 5.755 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 770 -15.153 8.752 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 770 -13.668 7.835 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 770 -16.073 7.299 -8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 770 -14.894 8.532 -8.578 1.00 0.00 H new ATOM 1272 N PHE A 771 -14.014 6.440 -3.814 1.00 0.00 N ATOM 1273 CA PHE A 771 -13.590 6.619 -2.459 1.00 0.00 C ATOM 1274 C PHE A 771 -12.270 7.289 -2.407 1.00 0.00 C ATOM 1275 O PHE A 771 -11.364 6.919 -3.111 1.00 0.00 O ATOM 1276 CB PHE A 771 -13.515 5.296 -1.739 1.00 0.00 C ATOM 1277 CG PHE A 771 -14.841 4.671 -1.500 1.00 0.00 C ATOM 1278 CD1 PHE A 771 -15.418 3.821 -2.434 1.00 0.00 C ATOM 1279 CD2 PHE A 771 -15.507 4.924 -0.329 1.00 0.00 C ATOM 1280 CE1 PHE A 771 -16.639 3.246 -2.184 1.00 0.00 C ATOM 1281 CE2 PHE A 771 -16.719 4.352 -0.082 1.00 0.00 C ATOM 1282 CZ PHE A 771 -17.282 3.518 -1.001 1.00 0.00 C ATOM 0 H PHE A 771 -13.448 5.776 -4.342 1.00 0.00 H new ATOM 0 HA PHE A 771 -14.328 7.249 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 771 -12.899 4.610 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 771 -13.014 5.441 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 771 -14.904 3.612 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 771 -15.067 5.583 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 771 -17.090 2.586 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 771 -17.234 4.560 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 771 -18.242 3.067 -0.797 1.00 0.00 H new ATOM 1292 N ASP A 772 -12.152 8.248 -1.575 1.00 0.00 N ATOM 1293 CA ASP A 772 -10.913 8.944 -1.429 1.00 0.00 C ATOM 1294 C ASP A 772 -10.039 8.203 -0.431 1.00 0.00 C ATOM 1295 O ASP A 772 -10.543 7.430 0.381 1.00 0.00 O ATOM 1296 CB ASP A 772 -11.147 10.401 -1.003 1.00 0.00 C ATOM 1297 CG ASP A 772 -9.860 11.174 -0.829 1.00 0.00 C ATOM 1298 OD1 ASP A 772 -8.882 10.935 -1.581 1.00 0.00 O ATOM 1299 OD2 ASP A 772 -9.782 12.042 0.049 1.00 0.00 O ATOM 0 H ASP A 772 -12.903 8.582 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 772 -10.400 8.974 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 772 -11.766 10.898 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 772 -11.704 10.416 -0.066 1.00 0.00 H new ATOM 1304 N HIS A 773 -8.754 8.390 -0.536 1.00 0.00 N ATOM 1305 CA HIS A 773 -7.770 7.774 0.330 1.00 0.00 C ATOM 1306 C HIS A 773 -8.121 7.950 1.824 1.00 0.00 C ATOM 1307 O HIS A 773 -8.662 8.989 2.226 1.00 0.00 O ATOM 1308 CB HIS A 773 -6.386 8.375 0.047 1.00 0.00 C ATOM 1309 CG HIS A 773 -6.162 9.792 0.547 1.00 0.00 C ATOM 1310 ND1 HIS A 773 -6.867 10.892 0.119 1.00 0.00 N ATOM 1311 CD2 HIS A 773 -5.327 10.238 1.487 1.00 0.00 C ATOM 1312 CE1 HIS A 773 -6.477 11.948 0.788 1.00 0.00 C ATOM 1313 NE2 HIS A 773 -5.547 11.582 1.631 1.00 0.00 N ATOM 0 H HIS A 773 -8.342 8.994 -1.247 1.00 0.00 H new ATOM 0 HA HIS A 773 -7.764 6.705 0.118 1.00 0.00 H new ATOM 0 HB2 HIS A 773 -5.632 7.729 0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 773 -6.218 8.360 -1.030 1.00 0.00 H new ATOM 0 HD1 HIS A 773 -7.583 10.886 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 773 -4.608 9.647 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 773 -6.859 12.951 0.664 1.00 0.00 H new ATOM 1322 N ASN A 774 -7.817 6.923 2.614 1.00 0.00 N ATOM 1323 CA ASN A 774 -8.027 6.908 4.050 1.00 0.00 C ATOM 1324 C ASN A 774 -9.485 6.904 4.426 1.00 0.00 C ATOM 1325 O ASN A 774 -9.860 7.268 5.533 1.00 0.00 O ATOM 1326 CB ASN A 774 -7.247 8.017 4.765 1.00 0.00 C ATOM 1327 CG ASN A 774 -5.769 7.737 4.797 1.00 0.00 C ATOM 1328 OD1 ASN A 774 -5.010 8.185 3.932 1.00 0.00 O ATOM 1329 ND2 ASN A 774 -5.363 6.940 5.735 1.00 0.00 N ATOM 0 H ASN A 774 -7.408 6.059 2.259 1.00 0.00 H new ATOM 0 HA ASN A 774 -7.619 5.961 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 774 -7.425 8.967 4.262 1.00 0.00 H new ATOM 0 HB3 ASN A 774 -7.618 8.122 5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 774 -4.383 6.660 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 774 -6.023 6.593 6.430 1.00 0.00 H new ATOM 1336 N SER A 775 -10.298 6.404 3.540 1.00 0.00 N ATOM 1337 CA SER A 775 -11.691 6.266 3.827 1.00 0.00 C ATOM 1338 C SER A 775 -11.880 4.883 4.344 1.00 0.00 C ATOM 1339 O SER A 775 -11.675 3.905 3.620 1.00 0.00 O ATOM 1340 CB SER A 775 -12.575 6.527 2.604 1.00 0.00 C ATOM 1341 OG SER A 775 -12.417 7.858 2.137 1.00 0.00 O ATOM 0 H SER A 775 -10.017 6.086 2.613 1.00 0.00 H new ATOM 0 HA SER A 775 -11.996 7.012 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 775 -12.319 5.826 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 775 -13.619 6.350 2.861 1.00 0.00 H new ATOM 0 HG SER A 775 -11.734 7.879 1.435 1.00 0.00 H new ATOM 1347 N ASN A 776 -12.148 4.800 5.603 1.00 0.00 N ATOM 1348 CA ASN A 776 -12.321 3.540 6.267 1.00 0.00 C ATOM 1349 C ASN A 776 -13.771 3.107 6.028 1.00 0.00 C ATOM 1350 O ASN A 776 -14.705 3.791 6.457 1.00 0.00 O ATOM 1351 CB ASN A 776 -12.051 3.688 7.797 1.00 0.00 C ATOM 1352 CG ASN A 776 -10.610 4.124 8.212 1.00 0.00 C ATOM 1353 OD1 ASN A 776 -9.906 4.879 7.383 1.00 0.00 O flip ATOM 1354 ND2 ASN A 776 -10.139 3.766 9.288 1.00 0.00 N flip ATOM 0 H ASN A 776 -12.256 5.611 6.213 1.00 0.00 H new ATOM 0 HA ASN A 776 -11.621 2.800 5.879 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -12.756 4.415 8.199 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -12.270 2.734 8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -10.691 3.184 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -9.196 4.050 9.552 1.00 0.00 H new ATOM 1361 N ILE A 777 -13.966 2.036 5.308 1.00 0.00 N ATOM 1362 CA ILE A 777 -15.300 1.572 4.960 1.00 0.00 C ATOM 1363 C ILE A 777 -15.484 0.110 5.336 1.00 0.00 C ATOM 1364 O ILE A 777 -14.603 -0.519 5.942 1.00 0.00 O ATOM 1365 CB ILE A 777 -15.585 1.680 3.445 1.00 0.00 C ATOM 1366 CG1 ILE A 777 -14.574 0.837 2.667 1.00 0.00 C ATOM 1367 CG2 ILE A 777 -15.545 3.131 2.992 1.00 0.00 C ATOM 1368 CD1 ILE A 777 -15.114 0.249 1.396 1.00 0.00 C ATOM 0 H ILE A 777 -13.212 1.455 4.942 1.00 0.00 H new ATOM 0 HA ILE A 777 -15.986 2.214 5.514 1.00 0.00 H new ATOM 0 HB ILE A 777 -16.586 1.298 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 777 -13.708 1.455 2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 777 -14.222 0.028 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 777 -15.748 3.184 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 777 -16.299 3.702 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 777 -14.559 3.548 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 777 -14.335 -0.334 0.905 1.00 0.00 H new ATOM 0 HD12 ILE A 777 -15.961 -0.398 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 777 -15.439 1.051 0.733 1.00 0.00 H new ATOM 1380 N ARG A 778 -16.614 -0.436 4.954 1.00 0.00 N ATOM 1381 CA ARG A 778 -16.916 -1.810 5.184 1.00 0.00 C ATOM 1382 C ARG A 778 -17.483 -2.406 3.915 1.00 0.00 C ATOM 1383 O ARG A 778 -18.425 -1.864 3.350 1.00 0.00 O ATOM 1384 CB ARG A 778 -17.965 -1.954 6.280 1.00 0.00 C ATOM 1385 CG ARG A 778 -17.621 -1.305 7.595 1.00 0.00 C ATOM 1386 CD ARG A 778 -18.729 -1.532 8.584 1.00 0.00 C ATOM 1387 NE ARG A 778 -18.490 -0.871 9.863 1.00 0.00 N ATOM 1388 CZ ARG A 778 -19.397 -0.768 10.838 1.00 0.00 C ATOM 1389 NH1 ARG A 778 -20.605 -1.287 10.681 1.00 0.00 N ATOM 1390 NH2 ARG A 778 -19.100 -0.139 11.964 1.00 0.00 N ATOM 0 H ARG A 778 -17.352 0.076 4.470 1.00 0.00 H new ATOM 0 HA ARG A 778 -16.002 -2.320 5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 778 -18.902 -1.530 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 778 -18.141 -3.016 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 778 -16.688 -1.717 7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 778 -17.463 -0.236 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 778 -19.666 -1.169 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 778 -18.848 -2.603 8.750 1.00 0.00 H new ATOM 0 HE ARG A 778 -17.570 -0.461 10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 778 -20.845 -1.767 9.814 1.00 0.00 H new ATOM 0 HH12 ARG A 778 -21.296 -1.207 11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 778 -18.174 0.270 12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 778 -19.797 -0.063 12.705 1.00 0.00 H new ATOM 1404 N TYR A 779 -16.881 -3.467 3.438 1.00 0.00 N ATOM 1405 CA TYR A 779 -17.453 -4.216 2.339 1.00 0.00 C ATOM 1406 C TYR A 779 -17.868 -5.547 2.907 1.00 0.00 C ATOM 1407 O TYR A 779 -17.455 -5.913 4.034 1.00 0.00 O ATOM 1408 CB TYR A 779 -16.445 -4.462 1.164 1.00 0.00 C ATOM 1409 CG TYR A 779 -15.417 -5.540 1.449 1.00 0.00 C ATOM 1410 CD1 TYR A 779 -14.373 -5.319 2.322 1.00 0.00 C ATOM 1411 CD2 TYR A 779 -15.513 -6.787 0.837 1.00 0.00 C ATOM 1412 CE1 TYR A 779 -13.450 -6.293 2.592 1.00 0.00 C ATOM 1413 CE2 TYR A 779 -14.595 -7.776 1.095 1.00 0.00 C ATOM 1414 CZ TYR A 779 -13.560 -7.530 1.977 1.00 0.00 C ATOM 1415 OH TYR A 779 -12.641 -8.524 2.265 1.00 0.00 O ATOM 0 H TYR A 779 -15.997 -3.834 3.790 1.00 0.00 H new ATOM 0 HA TYR A 779 -18.282 -3.647 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 779 -17.005 -4.736 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 779 -15.926 -3.529 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 779 -14.282 -4.356 2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 779 -16.322 -6.980 0.148 1.00 0.00 H new ATOM 0 HE1 TYR A 779 -12.641 -6.099 3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 779 -14.682 -8.738 0.612 1.00 0.00 H new ATOM 0 HH TYR A 779 -12.859 -9.330 1.752 1.00 0.00 H new ATOM 1425 N ARG A 780 -18.630 -6.249 2.158 1.00 0.00 N ATOM 1426 CA ARG A 780 -19.065 -7.563 2.489 1.00 0.00 C ATOM 1427 C ARG A 780 -19.319 -8.272 1.197 1.00 0.00 C ATOM 1428 O ARG A 780 -19.490 -7.617 0.153 1.00 0.00 O ATOM 1429 CB ARG A 780 -20.342 -7.561 3.346 1.00 0.00 C ATOM 1430 CG ARG A 780 -21.604 -7.203 2.603 1.00 0.00 C ATOM 1431 CD ARG A 780 -22.835 -7.365 3.488 1.00 0.00 C ATOM 1432 NE ARG A 780 -24.070 -6.908 2.824 1.00 0.00 N ATOM 1433 CZ ARG A 780 -25.306 -6.976 3.363 1.00 0.00 C ATOM 1434 NH1 ARG A 780 -25.512 -7.627 4.508 1.00 0.00 N ATOM 1435 NH2 ARG A 780 -26.347 -6.420 2.730 1.00 0.00 N ATOM 0 H ARG A 780 -18.985 -5.917 1.261 1.00 0.00 H new ATOM 0 HA ARG A 780 -18.299 -8.060 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 780 -20.466 -8.549 3.789 1.00 0.00 H new ATOM 0 HB3 ARG A 780 -20.210 -6.857 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 780 -21.541 -6.174 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 780 -21.702 -7.837 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 780 -22.943 -8.413 3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 780 -22.692 -6.802 4.411 1.00 0.00 H new ATOM 0 HE ARG A 780 -23.984 -6.511 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 780 -24.732 -8.079 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 780 -26.450 -7.673 4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 780 -26.207 -5.944 1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 780 -27.280 -6.473 3.139 1.00 0.00 H new ATOM 1449 N CYS A 781 -19.337 -9.553 1.233 1.00 0.00 N ATOM 1450 CA CYS A 781 -19.600 -10.308 0.051 1.00 0.00 C ATOM 1451 C CYS A 781 -21.049 -10.689 -0.071 1.00 0.00 C ATOM 1452 O CYS A 781 -21.804 -10.635 0.897 1.00 0.00 O ATOM 1453 CB CYS A 781 -18.693 -11.508 -0.070 1.00 0.00 C ATOM 1454 SG CYS A 781 -17.128 -11.140 -0.901 1.00 0.00 S ATOM 0 H CYS A 781 -19.172 -10.110 2.071 1.00 0.00 H new ATOM 0 HA CYS A 781 -19.375 -9.653 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 781 -18.485 -11.899 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 781 -19.212 -12.294 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 781 -16.406 -12.219 -0.963 1.00 0.00 H new ATOM 1459 N ARG A 782 -21.425 -11.074 -1.261 1.00 0.00 N ATOM 1460 CA ARG A 782 -22.799 -11.428 -1.591 1.00 0.00 C ATOM 1461 C ARG A 782 -23.259 -12.715 -0.910 1.00 0.00 C ATOM 1462 O ARG A 782 -24.440 -12.881 -0.626 1.00 0.00 O ATOM 1463 CB ARG A 782 -22.999 -11.446 -3.119 1.00 0.00 C ATOM 1464 CG ARG A 782 -21.898 -12.161 -3.898 1.00 0.00 C ATOM 1465 CD ARG A 782 -22.080 -11.990 -5.390 1.00 0.00 C ATOM 1466 NE ARG A 782 -20.924 -12.488 -6.151 1.00 0.00 N ATOM 1467 CZ ARG A 782 -20.785 -12.405 -7.483 1.00 0.00 C ATOM 1468 NH1 ARG A 782 -21.748 -11.873 -8.225 1.00 0.00 N ATOM 1469 NH2 ARG A 782 -19.667 -12.821 -8.055 1.00 0.00 N ATOM 0 H ARG A 782 -20.782 -11.155 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 782 -23.449 -10.652 -1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 782 -23.952 -11.925 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 782 -23.068 -10.418 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 782 -20.926 -11.768 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 782 -21.903 -13.222 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 782 -22.978 -12.520 -5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 782 -22.235 -10.935 -5.617 1.00 0.00 H new ATOM 0 HE ARG A 782 -20.170 -12.931 -5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 782 -22.599 -11.525 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 782 -21.637 -11.812 -9.237 1.00 0.00 H new ATOM 0 HH21 ARG A 782 -18.914 -13.204 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 782 -19.558 -12.759 -9.067 1.00 0.00 H new ATOM 1483 N GLY A 783 -22.327 -13.599 -0.627 1.00 0.00 N ATOM 1484 CA GLY A 783 -22.645 -14.819 0.076 1.00 0.00 C ATOM 1485 C GLY A 783 -22.081 -14.827 1.477 1.00 0.00 C ATOM 1486 O GLY A 783 -22.096 -15.851 2.157 1.00 0.00 O ATOM 0 H GLY A 783 -21.343 -13.494 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 783 -23.727 -14.941 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 783 -22.251 -15.671 -0.479 1.00 0.00 H new ATOM 1490 N LYS A 784 -21.570 -13.689 1.898 1.00 0.00 N ATOM 1491 CA LYS A 784 -20.999 -13.539 3.228 1.00 0.00 C ATOM 1492 C LYS A 784 -21.721 -12.454 3.994 1.00 0.00 C ATOM 1493 O LYS A 784 -21.629 -11.269 3.655 1.00 0.00 O ATOM 1494 CB LYS A 784 -19.494 -13.210 3.189 1.00 0.00 C ATOM 1495 CG LYS A 784 -18.523 -14.389 3.025 1.00 0.00 C ATOM 1496 CD LYS A 784 -18.643 -15.123 1.704 1.00 0.00 C ATOM 1497 CE LYS A 784 -17.486 -16.116 1.532 1.00 0.00 C ATOM 1498 NZ LYS A 784 -16.166 -15.427 1.406 1.00 0.00 N ATOM 0 H LYS A 784 -21.537 -12.841 1.332 1.00 0.00 H new ATOM 0 HA LYS A 784 -21.123 -14.499 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 784 -19.321 -12.513 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 784 -19.238 -12.687 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 784 -17.503 -14.020 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 784 -18.691 -15.097 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 784 -19.594 -15.653 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 784 -18.640 -14.407 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 784 -17.461 -16.793 2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 784 -17.662 -16.726 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 -15.470 -16.082 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 -16.266 -14.596 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 -15.842 -15.123 2.346 1.00 0.00 H new ATOM 1512 N GLU A 785 -22.412 -12.840 5.025 1.00 0.00 N ATOM 1513 CA GLU A 785 -23.129 -11.898 5.834 1.00 0.00 C ATOM 1514 C GLU A 785 -22.233 -11.424 6.962 1.00 0.00 C ATOM 1515 O GLU A 785 -22.156 -12.040 8.028 1.00 0.00 O ATOM 1516 CB GLU A 785 -24.447 -12.486 6.358 1.00 0.00 C ATOM 1517 CG GLU A 785 -25.253 -11.534 7.231 1.00 0.00 C ATOM 1518 CD GLU A 785 -25.572 -10.238 6.533 1.00 0.00 C ATOM 1519 OE1 GLU A 785 -26.590 -10.168 5.831 1.00 0.00 O ATOM 1520 OE2 GLU A 785 -24.800 -9.255 6.688 1.00 0.00 O ATOM 0 H GLU A 785 -22.495 -13.810 5.328 1.00 0.00 H new ATOM 0 HA GLU A 785 -23.403 -11.040 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 785 -25.060 -12.789 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 785 -24.227 -13.387 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 785 -26.182 -12.020 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 785 -24.695 -11.323 8.143 1.00 0.00 H new ATOM 1527 N GLY A 786 -21.486 -10.410 6.678 1.00 0.00 N ATOM 1528 CA GLY A 786 -20.603 -9.820 7.634 1.00 0.00 C ATOM 1529 C GLY A 786 -19.652 -8.914 6.939 1.00 0.00 C ATOM 1530 O GLY A 786 -19.257 -9.191 5.807 1.00 0.00 O ATOM 0 H GLY A 786 -21.470 -9.960 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 786 -21.174 -9.264 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 786 -20.057 -10.597 8.168 1.00 0.00 H new ATOM 1534 N TRP A 787 -19.293 -7.851 7.581 1.00 0.00 N ATOM 1535 CA TRP A 787 -18.444 -6.864 6.981 1.00 0.00 C ATOM 1536 C TRP A 787 -17.026 -7.123 7.391 1.00 0.00 C ATOM 1537 O TRP A 787 -16.769 -7.533 8.514 1.00 0.00 O ATOM 1538 CB TRP A 787 -18.874 -5.468 7.403 1.00 0.00 C ATOM 1539 CG TRP A 787 -20.333 -5.202 7.172 1.00 0.00 C ATOM 1540 CD1 TRP A 787 -21.351 -5.469 8.035 1.00 0.00 C ATOM 1541 CD2 TRP A 787 -20.940 -4.639 6.006 1.00 0.00 C ATOM 1542 NE1 TRP A 787 -22.547 -5.090 7.483 1.00 0.00 N ATOM 1543 CE2 TRP A 787 -22.325 -4.585 6.242 1.00 0.00 C ATOM 1544 CE3 TRP A 787 -20.452 -4.174 4.793 1.00 0.00 C ATOM 1545 CZ2 TRP A 787 -23.221 -4.085 5.310 1.00 0.00 C ATOM 1546 CZ3 TRP A 787 -21.342 -3.682 3.873 1.00 0.00 C ATOM 1547 CH2 TRP A 787 -22.713 -3.642 4.134 1.00 0.00 C ATOM 0 H TRP A 787 -19.578 -7.638 8.537 1.00 0.00 H new ATOM 0 HA TRP A 787 -18.524 -6.928 5.896 1.00 0.00 H new ATOM 0 HB2 TRP A 787 -18.649 -5.330 8.461 1.00 0.00 H new ATOM 0 HB3 TRP A 787 -18.286 -4.733 6.854 1.00 0.00 H new ATOM 0 HD1 TRP A 787 -21.234 -5.914 9.012 1.00 0.00 H new ATOM 0 HE1 TRP A 787 -23.459 -5.174 7.933 1.00 0.00 H new ATOM 0 HE3 TRP A 787 -19.394 -4.199 4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 787 -24.281 -4.050 5.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 787 -20.974 -3.317 2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 787 -23.383 -3.250 3.383 1.00 0.00 H new ATOM 1558 N ILE A 788 -16.117 -6.907 6.492 1.00 0.00 N ATOM 1559 CA ILE A 788 -14.721 -7.203 6.759 1.00 0.00 C ATOM 1560 C ILE A 788 -13.957 -5.952 7.210 1.00 0.00 C ATOM 1561 O ILE A 788 -13.043 -6.046 8.023 1.00 0.00 O ATOM 1562 CB ILE A 788 -14.005 -7.882 5.534 1.00 0.00 C ATOM 1563 CG1 ILE A 788 -14.684 -9.222 5.124 1.00 0.00 C ATOM 1564 CG2 ILE A 788 -12.523 -8.126 5.818 1.00 0.00 C ATOM 1565 CD1 ILE A 788 -15.994 -9.091 4.353 1.00 0.00 C ATOM 0 H ILE A 788 -16.304 -6.527 5.564 1.00 0.00 H new ATOM 0 HA ILE A 788 -14.711 -7.923 7.578 1.00 0.00 H new ATOM 0 HB ILE A 788 -14.098 -7.184 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 788 -13.982 -9.793 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 788 -14.871 -9.804 6.026 1.00 0.00 H new ATOM 0 HG21 ILE A 788 -12.059 -8.596 4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 788 -12.030 -7.175 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 788 -12.421 -8.781 6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 788 -16.379 -10.083 4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 788 -16.722 -8.554 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 788 -15.818 -8.542 3.428 1.00 0.00 H new ATOM 1577 N HIS A 789 -14.410 -4.777 6.725 1.00 0.00 N ATOM 1578 CA HIS A 789 -13.780 -3.445 6.998 1.00 0.00 C ATOM 1579 C HIS A 789 -12.523 -3.286 6.149 1.00 0.00 C ATOM 1580 O HIS A 789 -11.687 -4.167 6.115 1.00 0.00 O ATOM 1581 CB HIS A 789 -13.400 -3.201 8.493 1.00 0.00 C ATOM 1582 CG HIS A 789 -14.518 -3.300 9.488 1.00 0.00 C ATOM 1583 ND1 HIS A 789 -15.792 -3.702 9.348 1.00 0.00 N flip ATOM 1584 CD2 HIS A 789 -14.366 -2.985 10.810 1.00 0.00 C flip ATOM 1585 CE1 HIS A 789 -16.383 -3.625 10.568 1.00 0.00 C flip ATOM 1586 NE2 HIS A 789 -15.504 -3.188 11.442 1.00 0.00 N flip ATOM 0 H HIS A 789 -15.232 -4.714 6.125 1.00 0.00 H new ATOM 0 HA HIS A 789 -14.540 -2.707 6.741 1.00 0.00 H new ATOM 0 HB2 HIS A 789 -12.629 -3.920 8.772 1.00 0.00 H new ATOM 0 HB3 HIS A 789 -12.956 -2.209 8.575 1.00 0.00 H new ATOM 0 HD2 HIS A 789 -13.455 -2.626 11.265 1.00 0.00 H new ATOM 0 HE1 HIS A 789 -17.409 -3.881 10.785 1.00 0.00 H new ATOM 0 HE2 HIS A 789 -15.673 -3.033 12.436 1.00 0.00 H new ATOM 1595 N THR A 790 -12.426 -2.203 5.441 1.00 0.00 N ATOM 1596 CA THR A 790 -11.268 -1.924 4.619 1.00 0.00 C ATOM 1597 C THR A 790 -11.108 -0.420 4.443 1.00 0.00 C ATOM 1598 O THR A 790 -12.040 0.324 4.694 1.00 0.00 O ATOM 1599 CB THR A 790 -11.396 -2.631 3.251 1.00 0.00 C ATOM 1600 OG1 THR A 790 -10.380 -2.225 2.363 1.00 0.00 O ATOM 1601 CG2 THR A 790 -12.739 -2.387 2.637 1.00 0.00 C ATOM 0 H THR A 790 -13.145 -1.480 5.411 1.00 0.00 H new ATOM 0 HA THR A 790 -10.377 -2.310 5.115 1.00 0.00 H new ATOM 0 HB THR A 790 -11.286 -3.700 3.433 1.00 0.00 H new ATOM 0 HG1 THR A 790 -9.787 -2.982 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 790 -12.798 -2.897 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 790 -13.516 -2.769 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 790 -12.882 -1.317 2.489 1.00 0.00 H new ATOM 1609 N VAL A 791 -9.928 0.030 4.086 1.00 0.00 N ATOM 1610 CA VAL A 791 -9.705 1.441 3.871 1.00 0.00 C ATOM 1611 C VAL A 791 -9.145 1.728 2.478 1.00 0.00 C ATOM 1612 O VAL A 791 -8.516 0.893 1.888 1.00 0.00 O ATOM 1613 CB VAL A 791 -8.785 2.060 4.915 1.00 0.00 C ATOM 1614 CG1 VAL A 791 -9.157 1.759 6.331 1.00 0.00 C ATOM 1615 CG2 VAL A 791 -7.376 1.806 4.688 1.00 0.00 C ATOM 0 H VAL A 791 -9.109 -0.559 3.938 1.00 0.00 H new ATOM 0 HA VAL A 791 -10.688 1.902 3.964 1.00 0.00 H new ATOM 0 HB VAL A 791 -8.947 3.128 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 791 -8.447 2.240 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 791 -10.160 2.136 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 791 -9.136 0.681 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 791 -6.789 2.280 5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 791 -7.194 0.731 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 791 -7.084 2.215 3.721 1.00 0.00 H new ATOM 1625 N CYS A 792 -9.397 2.901 1.967 1.00 0.00 N ATOM 1626 CA CYS A 792 -8.894 3.284 0.646 1.00 0.00 C ATOM 1627 C CYS A 792 -7.447 3.731 0.740 1.00 0.00 C ATOM 1628 O CYS A 792 -7.136 4.711 1.394 1.00 0.00 O ATOM 1629 CB CYS A 792 -9.745 4.404 0.069 1.00 0.00 C ATOM 1630 SG CYS A 792 -9.232 5.040 -1.561 1.00 0.00 S ATOM 0 H CYS A 792 -9.948 3.621 2.435 1.00 0.00 H new ATOM 0 HA CYS A 792 -8.951 2.417 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 792 -10.773 4.049 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 792 -9.747 5.233 0.776 1.00 0.00 H new ATOM 1635 N ILE A 793 -6.584 3.013 0.110 1.00 0.00 N ATOM 1636 CA ILE A 793 -5.173 3.319 0.095 1.00 0.00 C ATOM 1637 C ILE A 793 -4.720 3.522 -1.338 1.00 0.00 C ATOM 1638 O ILE A 793 -4.333 2.573 -1.997 1.00 0.00 O ATOM 1639 CB ILE A 793 -4.331 2.170 0.720 1.00 0.00 C ATOM 1640 CG1 ILE A 793 -4.774 1.873 2.160 1.00 0.00 C ATOM 1641 CG2 ILE A 793 -2.825 2.495 0.680 1.00 0.00 C ATOM 1642 CD1 ILE A 793 -4.636 3.053 3.117 1.00 0.00 C ATOM 0 H ILE A 793 -6.831 2.179 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 793 -5.021 4.223 0.685 1.00 0.00 H new ATOM 0 HB ILE A 793 -4.505 1.278 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 793 -5.815 1.550 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 793 -4.186 1.039 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 793 -2.263 1.673 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 793 -2.510 2.633 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 793 -2.635 3.409 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 793 -4.971 2.756 4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 793 -3.592 3.364 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 793 -5.246 3.883 2.761 1.00 0.00 H new ATOM 1654 N ASN A 794 -4.867 4.745 -1.837 1.00 0.00 N ATOM 1655 CA ASN A 794 -4.413 5.121 -3.191 1.00 0.00 C ATOM 1656 C ASN A 794 -4.988 4.191 -4.251 1.00 0.00 C ATOM 1657 O ASN A 794 -4.298 3.340 -4.823 1.00 0.00 O ATOM 1658 CB ASN A 794 -2.882 5.164 -3.268 1.00 0.00 C ATOM 1659 CG ASN A 794 -2.329 5.697 -4.579 1.00 0.00 C ATOM 1660 OD1 ASN A 794 -2.154 6.976 -4.633 1.00 0.00 O flip ATOM 1661 ND2 ASN A 794 -2.066 4.964 -5.515 1.00 0.00 N flip ATOM 0 H ASN A 794 -5.303 5.510 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 794 -4.788 6.124 -3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 794 -2.508 5.783 -2.453 1.00 0.00 H new ATOM 0 HB3 ASN A 794 -2.495 4.158 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 794 -2.218 3.959 -5.434 1.00 0.00 H new ATOM 0 HD22 ASN A 794 -1.694 5.355 -6.380 1.00 0.00 H new ATOM 1668 N GLY A 795 -6.266 4.306 -4.437 1.00 0.00 N ATOM 1669 CA GLY A 795 -6.965 3.475 -5.395 1.00 0.00 C ATOM 1670 C GLY A 795 -6.937 1.980 -5.044 1.00 0.00 C ATOM 1671 O GLY A 795 -7.135 1.139 -5.921 1.00 0.00 O ATOM 0 H GLY A 795 -6.859 4.970 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 795 -8.002 3.805 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 795 -6.521 3.617 -6.380 1.00 0.00 H new ATOM 1675 N ARG A 796 -6.719 1.644 -3.782 1.00 0.00 N ATOM 1676 CA ARG A 796 -6.625 0.269 -3.375 1.00 0.00 C ATOM 1677 C ARG A 796 -7.327 0.174 -2.060 1.00 0.00 C ATOM 1678 O ARG A 796 -7.606 1.173 -1.458 1.00 0.00 O ATOM 1679 CB ARG A 796 -5.170 -0.094 -3.181 1.00 0.00 C ATOM 1680 CG ARG A 796 -4.859 -1.554 -3.129 1.00 0.00 C ATOM 1681 CD ARG A 796 -3.398 -1.740 -2.823 1.00 0.00 C ATOM 1682 NE ARG A 796 -2.526 -1.154 -3.856 1.00 0.00 N ATOM 1683 CZ ARG A 796 -1.290 -1.585 -4.145 1.00 0.00 C ATOM 1684 NH1 ARG A 796 -0.705 -2.508 -3.380 1.00 0.00 N ATOM 1685 NH2 ARG A 796 -0.627 -1.041 -5.167 1.00 0.00 N ATOM 0 H ARG A 796 -6.604 2.317 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 796 -7.062 -0.399 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 796 -4.594 0.351 -3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 796 -4.822 0.364 -2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 796 -5.467 -2.040 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 796 -5.106 -2.024 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 796 -3.171 -1.284 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 796 -3.182 -2.804 -2.731 1.00 0.00 H new ATOM 0 HE ARG A 796 -2.889 -0.364 -4.389 1.00 0.00 H new ATOM 0 HH11 ARG A 796 -1.198 -2.888 -2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 796 0.236 -2.834 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 796 -1.061 -0.303 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 796 0.314 -1.363 -5.394 1.00 0.00 H new ATOM 1699 N TRP A 797 -7.572 -0.975 -1.605 1.00 0.00 N ATOM 1700 CA TRP A 797 -8.271 -1.138 -0.381 1.00 0.00 C ATOM 1701 C TRP A 797 -7.371 -1.809 0.639 1.00 0.00 C ATOM 1702 O TRP A 797 -6.392 -2.462 0.256 1.00 0.00 O ATOM 1703 CB TRP A 797 -9.528 -1.942 -0.650 1.00 0.00 C ATOM 1704 CG TRP A 797 -10.583 -1.186 -1.395 1.00 0.00 C ATOM 1705 CD1 TRP A 797 -11.051 -1.421 -2.655 1.00 0.00 C ATOM 1706 CD2 TRP A 797 -11.277 -0.060 -0.914 1.00 0.00 C ATOM 1707 NE1 TRP A 797 -12.014 -0.490 -2.975 1.00 0.00 N ATOM 1708 CE2 TRP A 797 -12.163 0.362 -1.911 1.00 0.00 C ATOM 1709 CE3 TRP A 797 -11.230 0.631 0.274 1.00 0.00 C ATOM 1710 CZ2 TRP A 797 -12.992 1.462 -1.734 1.00 0.00 C ATOM 1711 CZ3 TRP A 797 -12.033 1.710 0.451 1.00 0.00 C ATOM 1712 CH2 TRP A 797 -12.900 2.124 -0.533 1.00 0.00 C ATOM 0 H TRP A 797 -7.299 -1.845 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 797 -8.560 -0.172 0.033 1.00 0.00 H new ATOM 0 HB2 TRP A 797 -9.263 -2.833 -1.219 1.00 0.00 H new ATOM 0 HB3 TRP A 797 -9.941 -2.282 0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 797 -10.717 -2.217 -3.304 1.00 0.00 H new ATOM 0 HE1 TRP A 797 -12.529 -0.442 -3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 797 -10.559 0.317 1.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 797 -13.677 1.783 -2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 797 -11.991 2.254 1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 797 -13.523 2.989 -0.358 1.00 0.00 H new ATOM 1723 N ASP A 798 -7.642 -1.601 1.921 1.00 0.00 N ATOM 1724 CA ASP A 798 -6.872 -2.256 2.983 1.00 0.00 C ATOM 1725 C ASP A 798 -7.794 -2.848 4.038 1.00 0.00 C ATOM 1726 O ASP A 798 -8.293 -2.112 4.892 1.00 0.00 O ATOM 1727 CB ASP A 798 -5.991 -1.260 3.684 1.00 0.00 C ATOM 1728 CG ASP A 798 -4.936 -1.916 4.555 1.00 0.00 C ATOM 1729 OD1 ASP A 798 -4.053 -2.628 4.012 1.00 0.00 O ATOM 1730 OD2 ASP A 798 -4.958 -1.731 5.804 1.00 0.00 O ATOM 0 H ASP A 798 -8.385 -0.987 2.255 1.00 0.00 H new ATOM 0 HA ASP A 798 -6.279 -3.039 2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 798 -5.502 -0.630 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 798 -6.609 -0.606 4.300 1.00 0.00 H new ATOM 1735 N PRO A 799 -8.059 -4.161 4.019 1.00 0.00 N ATOM 1736 CA PRO A 799 -7.539 -5.097 3.015 1.00 0.00 C ATOM 1737 C PRO A 799 -8.216 -4.926 1.669 1.00 0.00 C ATOM 1738 O PRO A 799 -9.400 -4.564 1.604 1.00 0.00 O ATOM 1739 CB PRO A 799 -7.921 -6.459 3.567 1.00 0.00 C ATOM 1740 CG PRO A 799 -9.089 -6.204 4.447 1.00 0.00 C ATOM 1741 CD PRO A 799 -8.881 -4.841 5.017 1.00 0.00 C ATOM 0 HA PRO A 799 -6.471 -4.948 2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 799 -8.175 -7.152 2.765 1.00 0.00 H new ATOM 0 HB3 PRO A 799 -7.097 -6.904 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 799 -10.021 -6.254 3.884 1.00 0.00 H new ATOM 0 HG3 PRO A 799 -9.154 -6.952 5.237 1.00 0.00 H new ATOM 0 HD2 PRO A 799 -9.828 -4.325 5.172 1.00 0.00 H new ATOM 0 HD3 PRO A 799 -8.380 -4.885 5.984 1.00 0.00 H new ATOM 1749 N GLU A 800 -7.450 -5.120 0.623 1.00 0.00 N ATOM 1750 CA GLU A 800 -7.923 -5.034 -0.744 1.00 0.00 C ATOM 1751 C GLU A 800 -9.203 -5.834 -0.936 1.00 0.00 C ATOM 1752 O GLU A 800 -9.253 -7.042 -0.655 1.00 0.00 O ATOM 1753 CB GLU A 800 -6.857 -5.501 -1.722 1.00 0.00 C ATOM 1754 CG GLU A 800 -7.108 -5.030 -3.135 1.00 0.00 C ATOM 1755 CD GLU A 800 -6.086 -5.529 -4.118 1.00 0.00 C ATOM 1756 OE1 GLU A 800 -4.886 -5.215 -3.952 1.00 0.00 O ATOM 1757 OE2 GLU A 800 -6.458 -6.249 -5.068 1.00 0.00 O ATOM 0 H GLU A 800 -6.458 -5.347 0.696 1.00 0.00 H new ATOM 0 HA GLU A 800 -8.142 -3.986 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 800 -5.884 -5.138 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 800 -6.812 -6.590 -1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 800 -8.097 -5.361 -3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 800 -7.116 -3.940 -3.151 1.00 0.00 H new ATOM 1764 N VAL A 801 -10.231 -5.152 -1.375 1.00 0.00 N ATOM 1765 CA VAL A 801 -11.509 -5.757 -1.564 1.00 0.00 C ATOM 1766 C VAL A 801 -11.500 -6.631 -2.788 1.00 0.00 C ATOM 1767 O VAL A 801 -11.189 -6.186 -3.893 1.00 0.00 O ATOM 1768 CB VAL A 801 -12.671 -4.721 -1.627 1.00 0.00 C ATOM 1769 CG1 VAL A 801 -13.986 -5.394 -1.829 1.00 0.00 C ATOM 1770 CG2 VAL A 801 -12.706 -3.905 -0.376 1.00 0.00 C ATOM 0 H VAL A 801 -10.197 -4.160 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 801 -11.699 -6.375 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 801 -12.488 -4.066 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 801 -14.776 -4.644 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 801 -13.969 -5.953 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 801 -14.176 -6.078 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 801 -13.523 -3.185 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 801 -12.860 -4.560 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 801 -11.761 -3.373 -0.262 1.00 0.00 H new