USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 743 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 627 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 704 MET CE :methyl -146:sc= -0.254 (180deg=-1.2) USER MOD Set 2.1: A 693 TYR OH : rot 165:sc= 1.01 USER MOD Set 2.2: A 715 LYS NZ :NH3+ 162:sc= 1.23 (180deg=-0.113) USER MOD Set 3.1: A 665 TYR OH : rot 180:sc= -1.63! USER MOD Set 3.2: A 666 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 4.1: A 641 TYR OH : rot 93:sc= -1.91! USER MOD Set 4.2: A 714 GLN : amide:sc= 0.258 K(o=-1.7,f=-3.3) USER MOD Set 5.1: A 626 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 632 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 625 HIS : +bothHN:sc= 1 K(o=1,f=-8.7!) USER MOD Single : A 631 CYS SG : rot 49:sc= 0.454 USER MOD Single : A 639 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.45) USER MOD Single : A 642 ASN : amide:sc= 0.807 K(o=0.81,f=-9.5!) USER MOD Single : A 643 THR OG1 : rot -179:sc= 0.365 USER MOD Single : A 647 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 648 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 650 CYS SG : rot 180:sc= -1.8 USER MOD Single : A 656 TYR OH : rot -86:sc= 0.031 USER MOD Single : A 659 MET CE :methyl -159:sc= -2.87! (180deg=-3.3!) USER MOD Single : A 660 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 667 MET CE :methyl 176:sc= -1.05 (180deg=-1.18) USER MOD Single : A 674 MET CE :methyl -177:sc= -0.22 (180deg=-0.232) USER MOD Single : A 677 THR OG1 : rot -3:sc= 0.635 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -149:sc= 2.53 (180deg=2.04) USER MOD Single : A 687 GLN : amide:sc= 0.0448 X(o=0.045,f=-0.069) USER MOD Single : A 689 SER OG : rot 55:sc= -0.0223 USER MOD Single : A 694 THR OG1 : rot -88:sc= 1.2 USER MOD Single : A 695 GLN :FLIP amide:sc=-0.00987 F(o=-1.2,f=-0.0099) USER MOD Single : A 701 MET CE :methyl 147:sc= 0 (180deg=-1.45) USER MOD Single : A 705 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 710 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 711 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 103:sc= 1.02 USER MOD Single : A 722 GLN : amide:sc= -0.377! X(o=-0.38!,f=-0.45) USER MOD Single : A 723 MET CE :methyl -158:sc= -0.153 (180deg=-0.753) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -9.172 -0.928 -9.923 1.00 15.53 N ATOM 2 CA GLY A 623 -10.230 0.088 -10.119 1.00 15.09 C ATOM 3 C GLY A 623 -10.475 0.911 -8.874 1.00 14.39 C ATOM 4 O GLY A 623 -10.229 0.450 -7.760 1.00 14.22 O ATOM 0 HA2 GLY A 623 -9.948 0.749 -10.939 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -11.156 -0.407 -10.412 1.00 15.09 H new ATOM 10 N SER A 624 -10.957 2.133 -9.062 1.00 14.14 N ATOM 11 CA SER A 624 -11.338 2.985 -7.949 1.00 13.65 C ATOM 12 C SER A 624 -12.660 2.497 -7.378 1.00 12.93 C ATOM 13 O SER A 624 -13.617 2.271 -8.122 1.00 12.90 O ATOM 14 CB SER A 624 -11.466 4.438 -8.413 1.00 13.94 C ATOM 15 OG SER A 624 -11.759 5.310 -7.331 1.00 14.35 O ATOM 0 H SER A 624 -11.093 2.555 -9.980 1.00 14.14 H new ATOM 0 HA SER A 624 -10.570 2.939 -7.177 1.00 13.65 H new ATOM 0 HB2 SER A 624 -10.538 4.751 -8.891 1.00 13.94 H new ATOM 0 HB3 SER A 624 -12.253 4.512 -9.164 1.00 13.94 H new ATOM 0 HG SER A 624 -11.832 6.229 -7.662 1.00 14.35 H new ATOM 21 N HIS A 625 -12.718 2.322 -6.069 1.00 12.51 N ATOM 22 CA HIS A 625 -13.909 1.777 -5.442 1.00 11.96 C ATOM 23 C HIS A 625 -14.540 2.782 -4.498 1.00 11.32 C ATOM 24 O HIS A 625 -13.991 3.089 -3.437 1.00 11.18 O ATOM 25 CB HIS A 625 -13.587 0.481 -4.693 1.00 11.96 C ATOM 26 CG HIS A 625 -13.006 -0.586 -5.566 1.00 12.45 C ATOM 27 ND1 HIS A 625 -13.591 -1.000 -6.741 1.00 12.80 N ATOM 28 CD2 HIS A 625 -11.868 -1.306 -5.445 1.00 12.83 C ATOM 29 CE1 HIS A 625 -12.841 -1.925 -7.301 1.00 13.34 C ATOM 30 NE2 HIS A 625 -11.785 -2.131 -6.538 1.00 13.37 N ATOM 0 H HIS A 625 -11.961 2.547 -5.424 1.00 12.51 H new ATOM 0 HA HIS A 625 -14.624 1.554 -6.234 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -12.887 0.701 -3.887 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -14.498 0.103 -4.229 1.00 11.96 H new ATOM 0 HD1 HIS A 625 -14.469 -0.645 -7.119 1.00 12.80 H new ATOM 0 HD2 HIS A 625 -11.155 -1.243 -4.636 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -13.055 -2.431 -8.231 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -11.033 -2.793 -6.729 1.00 13.37 H new ATOM 39 N MET A 626 -15.691 3.297 -4.897 1.00 11.11 N ATOM 40 CA MET A 626 -16.469 4.182 -4.052 1.00 10.60 C ATOM 41 C MET A 626 -17.069 3.377 -2.910 1.00 9.72 C ATOM 42 O MET A 626 -18.099 2.728 -3.073 1.00 9.78 O ATOM 43 CB MET A 626 -17.578 4.864 -4.859 1.00 11.28 C ATOM 44 CG MET A 626 -18.440 5.806 -4.031 1.00 11.91 C ATOM 45 SD MET A 626 -19.722 6.618 -5.004 1.00 12.79 S ATOM 46 CE MET A 626 -20.531 7.598 -3.741 1.00 13.30 C ATOM 0 H MET A 626 -16.109 3.114 -5.809 1.00 11.11 H new ATOM 0 HA MET A 626 -15.818 4.959 -3.651 1.00 10.60 H new ATOM 0 HB2 MET A 626 -17.128 5.423 -5.680 1.00 11.28 H new ATOM 0 HB3 MET A 626 -18.214 4.100 -5.305 1.00 11.28 H new ATOM 0 HG2 MET A 626 -18.906 5.246 -3.220 1.00 11.91 H new ATOM 0 HG3 MET A 626 -17.805 6.563 -3.572 1.00 11.91 H new ATOM 0 HE1 MET A 626 -21.351 8.161 -4.187 1.00 13.30 H new ATOM 0 HE2 MET A 626 -20.923 6.940 -2.965 1.00 13.30 H new ATOM 0 HE3 MET A 626 -19.812 8.290 -3.301 1.00 13.30 H new ATOM 56 N SER A 627 -16.399 3.400 -1.770 1.00 9.08 N ATOM 57 CA SER A 627 -16.805 2.602 -0.627 1.00 8.35 C ATOM 58 C SER A 627 -18.004 3.231 0.084 1.00 7.32 C ATOM 59 O SER A 627 -17.872 4.264 0.741 1.00 7.21 O ATOM 60 CB SER A 627 -15.626 2.469 0.334 1.00 8.70 C ATOM 61 OG SER A 627 -14.434 2.150 -0.368 1.00 9.26 O ATOM 0 H SER A 627 -15.566 3.967 -1.612 1.00 9.08 H new ATOM 0 HA SER A 627 -17.108 1.614 -0.974 1.00 8.35 H new ATOM 0 HB2 SER A 627 -15.492 3.401 0.882 1.00 8.70 H new ATOM 0 HB3 SER A 627 -15.838 1.694 1.071 1.00 8.70 H new ATOM 0 HG SER A 627 -13.782 1.764 0.253 1.00 9.26 H new ATOM 67 N PRO A 628 -19.190 2.609 -0.031 1.00 6.76 N ATOM 68 CA PRO A 628 -20.421 3.129 0.564 1.00 5.93 C ATOM 69 C PRO A 628 -20.541 2.764 2.040 1.00 5.48 C ATOM 70 O PRO A 628 -21.522 3.093 2.707 1.00 5.24 O ATOM 71 CB PRO A 628 -21.506 2.442 -0.257 1.00 5.90 C ATOM 72 CG PRO A 628 -20.914 1.125 -0.628 1.00 6.58 C ATOM 73 CD PRO A 628 -19.427 1.341 -0.751 1.00 7.14 C ATOM 0 HA PRO A 628 -20.474 4.217 0.541 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -22.422 2.317 0.321 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -21.764 3.025 -1.141 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -21.135 0.373 0.130 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -21.332 0.763 -1.567 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -18.866 0.519 -0.307 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -19.119 1.410 -1.794 1.00 7.14 H new ATOM 81 N ASP A 629 -19.518 2.092 2.540 1.00 5.68 N ATOM 82 CA ASP A 629 -19.451 1.681 3.937 1.00 5.52 C ATOM 83 C ASP A 629 -18.933 2.816 4.811 1.00 4.87 C ATOM 84 O ASP A 629 -18.291 2.575 5.833 1.00 4.76 O ATOM 85 CB ASP A 629 -18.537 0.462 4.096 1.00 6.23 C ATOM 86 CG ASP A 629 -19.146 -0.811 3.548 1.00 6.68 C ATOM 87 OD1 ASP A 629 -19.233 -0.954 2.313 1.00 7.07 O ATOM 88 OD2 ASP A 629 -19.526 -1.686 4.354 1.00 6.91 O ATOM 0 H ASP A 629 -18.706 1.814 1.989 1.00 5.68 H new ATOM 0 HA ASP A 629 -20.460 1.419 4.255 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -17.592 0.654 3.587 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -18.307 0.323 5.152 1.00 6.23 H new ATOM 93 N ARG A 630 -19.208 4.051 4.391 1.00 4.79 N ATOM 94 CA ARG A 630 -18.717 5.243 5.080 1.00 4.57 C ATOM 95 C ARG A 630 -17.190 5.279 5.033 1.00 4.10 C ATOM 96 O ARG A 630 -16.520 5.723 5.967 1.00 4.34 O ATOM 97 CB ARG A 630 -19.234 5.280 6.525 1.00 5.38 C ATOM 98 CG ARG A 630 -19.011 6.608 7.227 1.00 5.89 C ATOM 99 CD ARG A 630 -19.548 6.580 8.645 1.00 6.81 C ATOM 100 NE ARG A 630 -19.309 7.839 9.348 1.00 7.37 N ATOM 101 CZ ARG A 630 -19.759 8.097 10.573 1.00 8.27 C ATOM 102 NH1 ARG A 630 -20.488 7.194 11.216 1.00 8.70 N ATOM 103 NH2 ARG A 630 -19.488 9.259 11.152 1.00 8.95 N ATOM 0 H ARG A 630 -19.775 4.252 3.567 1.00 4.79 H new ATOM 0 HA ARG A 630 -19.095 6.131 4.572 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -20.301 5.056 6.524 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -18.743 4.492 7.096 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -17.946 6.838 7.244 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -19.500 7.405 6.666 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -20.618 6.375 8.623 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -19.078 5.764 9.194 1.00 6.81 H new ATOM 0 HE ARG A 630 -18.767 8.560 8.873 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -20.703 6.302 10.771 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -20.833 7.392 12.155 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -18.933 9.958 10.658 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -19.834 9.454 12.091 1.00 8.95 H new ATOM 117 N CYS A 631 -16.644 4.798 3.928 1.00 3.77 N ATOM 118 CA CYS A 631 -15.210 4.801 3.723 1.00 3.49 C ATOM 119 C CYS A 631 -14.875 5.623 2.485 1.00 3.17 C ATOM 120 O CYS A 631 -14.410 5.100 1.476 1.00 3.32 O ATOM 121 CB CYS A 631 -14.688 3.371 3.582 1.00 3.72 C ATOM 122 SG CYS A 631 -15.078 2.306 4.990 1.00 4.38 S ATOM 0 H CYS A 631 -17.179 4.399 3.156 1.00 3.77 H new ATOM 0 HA CYS A 631 -14.724 5.252 4.588 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -15.107 2.929 2.678 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -13.606 3.401 3.450 1.00 3.72 H new ATOM 0 HG CYS A 631 -16.340 2.418 5.283 1.00 4.38 H new ATOM 128 N GLN A 632 -15.144 6.913 2.565 1.00 3.10 N ATOM 129 CA GLN A 632 -14.929 7.809 1.444 1.00 3.01 C ATOM 130 C GLN A 632 -13.804 8.794 1.737 1.00 2.97 C ATOM 131 O GLN A 632 -13.399 9.566 0.868 1.00 2.93 O ATOM 132 CB GLN A 632 -16.216 8.571 1.139 1.00 3.40 C ATOM 133 CG GLN A 632 -17.380 7.672 0.755 1.00 3.70 C ATOM 134 CD GLN A 632 -18.669 8.443 0.564 1.00 4.22 C ATOM 135 OE1 GLN A 632 -19.454 8.603 1.499 1.00 4.67 O ATOM 136 NE2 GLN A 632 -18.893 8.931 -0.643 1.00 4.57 N ATOM 0 H GLN A 632 -15.514 7.366 3.401 1.00 3.10 H new ATOM 0 HA GLN A 632 -14.643 7.211 0.578 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -16.495 9.160 2.013 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -16.028 9.274 0.328 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -17.137 7.142 -0.166 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -17.523 6.917 1.529 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -18.216 8.775 -1.390 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -19.743 9.464 -0.828 1.00 4.57 H new ATOM 145 N ASP A 633 -13.294 8.760 2.958 1.00 3.23 N ATOM 146 CA ASP A 633 -12.262 9.699 3.376 1.00 3.48 C ATOM 147 C ASP A 633 -10.910 9.325 2.782 1.00 3.00 C ATOM 148 O ASP A 633 -10.107 10.199 2.450 1.00 3.13 O ATOM 149 CB ASP A 633 -12.167 9.753 4.902 1.00 4.11 C ATOM 150 CG ASP A 633 -11.128 10.746 5.380 1.00 4.69 C ATOM 151 OD1 ASP A 633 -11.432 11.957 5.433 1.00 5.22 O ATOM 152 OD2 ASP A 633 -10.001 10.320 5.705 1.00 4.94 O ATOM 0 H ASP A 633 -13.577 8.094 3.677 1.00 3.23 H new ATOM 0 HA ASP A 633 -12.540 10.686 3.006 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -13.139 10.021 5.315 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -11.921 8.762 5.284 1.00 4.11 H new ATOM 157 N TRP A 634 -10.668 8.026 2.623 1.00 2.60 N ATOM 158 CA TRP A 634 -9.392 7.556 2.097 1.00 2.30 C ATOM 159 C TRP A 634 -9.288 7.868 0.608 1.00 1.84 C ATOM 160 O TRP A 634 -8.190 8.015 0.066 1.00 1.69 O ATOM 161 CB TRP A 634 -9.191 6.054 2.363 1.00 2.47 C ATOM 162 CG TRP A 634 -10.093 5.144 1.580 1.00 2.40 C ATOM 163 CD1 TRP A 634 -11.344 4.729 1.930 1.00 2.72 C ATOM 164 CD2 TRP A 634 -9.798 4.512 0.324 1.00 2.37 C ATOM 165 NE1 TRP A 634 -11.849 3.890 0.967 1.00 2.82 N ATOM 166 CE2 TRP A 634 -10.921 3.741 -0.027 1.00 2.72 C ATOM 167 CE3 TRP A 634 -8.698 4.531 -0.541 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -10.976 2.993 -1.200 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -8.753 3.788 -1.704 1.00 2.88 C ATOM 170 CH2 TRP A 634 -9.885 3.028 -2.025 1.00 3.28 C ATOM 0 H TRP A 634 -11.333 7.287 2.849 1.00 2.60 H new ATOM 0 HA TRP A 634 -8.595 8.085 2.619 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -8.156 5.796 2.138 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -9.343 5.865 3.426 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -11.862 5.018 2.833 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -12.768 3.449 0.989 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -7.822 5.116 -0.303 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -11.848 2.407 -1.450 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -7.909 3.793 -2.377 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -9.897 2.458 -2.942 1.00 3.28 H new ATOM 181 N LEU A 635 -10.441 7.995 -0.040 1.00 1.89 N ATOM 182 CA LEU A 635 -10.494 8.368 -1.446 1.00 2.05 C ATOM 183 C LEU A 635 -9.891 9.753 -1.634 1.00 2.36 C ATOM 184 O LEU A 635 -9.072 9.976 -2.525 1.00 2.50 O ATOM 185 CB LEU A 635 -11.941 8.353 -1.944 1.00 2.45 C ATOM 186 CG LEU A 635 -12.654 7.000 -1.851 1.00 2.54 C ATOM 187 CD1 LEU A 635 -14.118 7.144 -2.223 1.00 2.83 C ATOM 188 CD2 LEU A 635 -11.983 5.977 -2.755 1.00 3.12 C ATOM 0 H LEU A 635 -11.354 7.844 0.389 1.00 1.89 H new ATOM 0 HA LEU A 635 -9.919 7.646 -2.026 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -12.512 9.085 -1.373 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -11.953 8.680 -2.984 1.00 2.45 H new ATOM 0 HG LEU A 635 -12.587 6.650 -0.821 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -14.609 6.173 -2.151 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -14.599 7.845 -1.541 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -14.199 7.517 -3.244 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -12.504 5.023 -2.675 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -12.019 6.324 -3.787 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -10.944 5.849 -2.452 1.00 3.12 H new ATOM 200 N GLU A 636 -10.287 10.674 -0.765 1.00 2.71 N ATOM 201 CA GLU A 636 -9.753 12.026 -0.786 1.00 3.25 C ATOM 202 C GLU A 636 -8.296 12.024 -0.349 1.00 3.07 C ATOM 203 O GLU A 636 -7.478 12.778 -0.872 1.00 3.33 O ATOM 204 CB GLU A 636 -10.566 12.933 0.130 1.00 3.85 C ATOM 205 CG GLU A 636 -12.006 13.115 -0.308 1.00 4.37 C ATOM 206 CD GLU A 636 -12.767 14.054 0.602 1.00 4.88 C ATOM 207 OE1 GLU A 636 -13.263 13.601 1.656 1.00 5.12 O ATOM 208 OE2 GLU A 636 -12.872 15.250 0.272 1.00 5.37 O ATOM 0 H GLU A 636 -10.979 10.506 -0.035 1.00 2.71 H new ATOM 0 HA GLU A 636 -9.817 12.406 -1.806 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -10.553 12.521 1.139 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -10.085 13.910 0.178 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -12.028 13.502 -1.327 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -12.504 12.146 -0.325 1.00 4.37 H new ATOM 215 N ALA A 637 -7.982 11.159 0.608 1.00 2.79 N ATOM 216 CA ALA A 637 -6.621 11.021 1.105 1.00 2.78 C ATOM 217 C ALA A 637 -5.667 10.677 -0.029 1.00 2.28 C ATOM 218 O ALA A 637 -4.608 11.281 -0.163 1.00 2.44 O ATOM 219 CB ALA A 637 -6.557 9.960 2.192 1.00 2.89 C ATOM 0 H ALA A 637 -8.657 10.540 1.057 1.00 2.79 H new ATOM 0 HA ALA A 637 -6.315 11.976 1.533 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -5.532 9.870 2.552 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -7.208 10.246 3.018 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -6.884 9.003 1.786 1.00 2.89 H new ATOM 225 N LEU A 638 -6.065 9.723 -0.862 1.00 1.83 N ATOM 226 CA LEU A 638 -5.256 9.320 -2.009 1.00 1.65 C ATOM 227 C LEU A 638 -5.157 10.438 -3.044 1.00 2.09 C ATOM 228 O LEU A 638 -4.215 10.483 -3.835 1.00 2.25 O ATOM 229 CB LEU A 638 -5.832 8.055 -2.657 1.00 1.61 C ATOM 230 CG LEU A 638 -5.186 6.730 -2.235 1.00 1.61 C ATOM 231 CD1 LEU A 638 -3.742 6.672 -2.704 1.00 2.00 C ATOM 232 CD2 LEU A 638 -5.260 6.535 -0.728 1.00 1.99 C ATOM 0 H LEU A 638 -6.943 9.213 -0.766 1.00 1.83 H new ATOM 0 HA LEU A 638 -4.252 9.107 -1.643 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -6.897 8.006 -2.429 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -5.742 8.152 -3.739 1.00 1.61 H new ATOM 0 HG LEU A 638 -5.743 5.921 -2.707 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -3.297 5.725 -2.397 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -3.709 6.753 -3.791 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -3.182 7.496 -2.262 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -4.794 5.587 -0.460 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -4.736 7.350 -0.229 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -6.303 6.528 -0.413 1.00 1.99 H new ATOM 244 N HIS A 639 -6.122 11.348 -3.028 1.00 2.51 N ATOM 245 CA HIS A 639 -6.140 12.451 -3.977 1.00 3.15 C ATOM 246 C HIS A 639 -5.171 13.550 -3.542 1.00 3.32 C ATOM 247 O HIS A 639 -4.657 14.302 -4.369 1.00 3.71 O ATOM 248 CB HIS A 639 -7.556 13.018 -4.118 1.00 3.69 C ATOM 249 CG HIS A 639 -7.672 14.102 -5.144 1.00 4.41 C ATOM 250 ND1 HIS A 639 -7.987 15.405 -4.831 1.00 4.97 N ATOM 251 CD2 HIS A 639 -7.500 14.069 -6.486 1.00 4.95 C ATOM 252 CE1 HIS A 639 -8.001 16.127 -5.935 1.00 5.62 C ATOM 253 NE2 HIS A 639 -7.709 15.341 -6.954 1.00 5.61 N ATOM 0 H HIS A 639 -6.901 11.344 -2.369 1.00 2.51 H new ATOM 0 HA HIS A 639 -5.821 12.071 -4.947 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -8.237 12.208 -4.379 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -7.879 13.408 -3.153 1.00 3.69 H new ATOM 0 HD1 HIS A 639 -8.179 15.757 -3.893 1.00 4.97 H new ATOM 0 HD2 HIS A 639 -7.246 13.202 -7.078 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -8.215 17.184 -5.995 1.00 5.62 H new ATOM 262 N TRP A 640 -4.922 13.637 -2.243 1.00 3.17 N ATOM 263 CA TRP A 640 -4.043 14.670 -1.704 1.00 3.45 C ATOM 264 C TRP A 640 -2.749 14.071 -1.159 1.00 2.97 C ATOM 265 O TRP A 640 -1.968 14.753 -0.491 1.00 3.21 O ATOM 266 CB TRP A 640 -4.760 15.474 -0.618 1.00 3.97 C ATOM 267 CG TRP A 640 -5.938 16.247 -1.131 1.00 4.43 C ATOM 268 CD1 TRP A 640 -7.224 15.803 -1.233 1.00 4.57 C ATOM 269 CD2 TRP A 640 -5.941 17.599 -1.616 1.00 5.16 C ATOM 270 NE1 TRP A 640 -8.026 16.787 -1.754 1.00 5.35 N ATOM 271 CE2 TRP A 640 -7.264 17.901 -1.995 1.00 5.75 C ATOM 272 CE3 TRP A 640 -4.957 18.584 -1.766 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -7.626 19.140 -2.514 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -5.320 19.815 -2.281 1.00 6.48 C ATOM 275 CH2 TRP A 640 -6.645 20.083 -2.649 1.00 7.07 C ATOM 0 H TRP A 640 -5.314 13.007 -1.543 1.00 3.17 H new ATOM 0 HA TRP A 640 -3.782 15.343 -2.521 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -5.094 14.795 0.166 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -4.052 16.165 -0.161 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -7.562 14.819 -0.945 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -9.027 16.703 -1.933 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -3.933 18.386 -1.485 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -8.646 19.350 -2.800 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -4.570 20.582 -2.402 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -6.897 21.055 -3.048 1.00 7.07 H new ATOM 286 N TYR A 641 -2.535 12.792 -1.419 1.00 2.48 N ATOM 287 CA TYR A 641 -1.303 12.128 -1.020 1.00 2.29 C ATOM 288 C TYR A 641 -0.698 11.399 -2.214 1.00 2.37 C ATOM 289 O TYR A 641 -0.901 10.199 -2.406 1.00 2.80 O ATOM 290 CB TYR A 641 -1.560 11.162 0.144 1.00 2.57 C ATOM 291 CG TYR A 641 -0.309 10.518 0.698 1.00 2.91 C ATOM 292 CD1 TYR A 641 0.837 11.267 0.936 1.00 3.42 C ATOM 293 CD2 TYR A 641 -0.277 9.160 0.985 1.00 3.41 C ATOM 294 CE1 TYR A 641 1.979 10.681 1.444 1.00 4.14 C ATOM 295 CE2 TYR A 641 0.861 8.567 1.495 1.00 4.25 C ATOM 296 CZ TYR A 641 1.986 9.331 1.721 1.00 4.51 C ATOM 297 OH TYR A 641 3.121 8.744 2.223 1.00 5.50 O ATOM 0 H TYR A 641 -3.200 12.191 -1.906 1.00 2.48 H new ATOM 0 HA TYR A 641 -0.592 12.879 -0.676 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -2.064 11.702 0.946 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -2.241 10.380 -0.191 1.00 2.57 H new ATOM 0 HD1 TYR A 641 0.834 12.325 0.720 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -1.156 8.558 0.807 1.00 3.41 H new ATOM 0 HE1 TYR A 641 2.862 11.277 1.623 1.00 4.14 H new ATOM 0 HE2 TYR A 641 0.870 7.510 1.716 1.00 4.25 H new ATOM 0 HH TYR A 641 3.080 8.737 3.202 1.00 5.50 H new ATOM 307 N ASN A 642 0.035 12.144 -3.024 1.00 2.55 N ATOM 308 CA ASN A 642 0.635 11.601 -4.234 1.00 2.95 C ATOM 309 C ASN A 642 2.027 11.049 -3.950 1.00 2.85 C ATOM 310 O ASN A 642 2.965 11.806 -3.705 1.00 3.27 O ATOM 311 CB ASN A 642 0.716 12.682 -5.318 1.00 3.71 C ATOM 312 CG ASN A 642 1.329 12.162 -6.606 1.00 4.38 C ATOM 313 OD1 ASN A 642 1.208 10.983 -6.924 1.00 4.86 O ATOM 314 ND2 ASN A 642 1.989 13.034 -7.355 1.00 4.90 N ATOM 0 H ASN A 642 0.231 13.132 -2.865 1.00 2.55 H new ATOM 0 HA ASN A 642 0.004 10.786 -4.588 1.00 2.95 H new ATOM 0 HB2 ASN A 642 -0.284 13.064 -5.523 1.00 3.71 H new ATOM 0 HB3 ASN A 642 1.308 13.520 -4.949 1.00 3.71 H new ATOM 0 HD21 ASN A 642 2.418 12.733 -8.230 1.00 4.90 H new ATOM 0 HD22 ASN A 642 2.068 14.006 -7.056 1.00 4.90 H new ATOM 321 N THR A 643 2.152 9.732 -3.971 1.00 2.87 N ATOM 322 CA THR A 643 3.433 9.081 -3.751 1.00 3.35 C ATOM 323 C THR A 643 4.103 8.698 -5.069 1.00 3.70 C ATOM 324 O THR A 643 5.141 9.253 -5.432 1.00 4.43 O ATOM 325 CB THR A 643 3.264 7.828 -2.879 1.00 4.03 C ATOM 326 OG1 THR A 643 2.107 7.097 -3.305 1.00 4.46 O ATOM 327 CG2 THR A 643 3.129 8.200 -1.413 1.00 4.33 C ATOM 0 H THR A 643 1.377 9.090 -4.139 1.00 2.87 H new ATOM 0 HA THR A 643 4.072 9.797 -3.234 1.00 3.35 H new ATOM 0 HB THR A 643 4.152 7.206 -2.992 1.00 4.03 H new ATOM 0 HG1 THR A 643 1.993 6.305 -2.739 1.00 4.46 H new ATOM 0 HG21 THR A 643 3.011 7.295 -0.817 1.00 4.33 H new ATOM 0 HG22 THR A 643 4.023 8.733 -1.089 1.00 4.33 H new ATOM 0 HG23 THR A 643 2.257 8.839 -1.279 1.00 4.33 H new ATOM 335 N ALA A 644 3.507 7.756 -5.787 1.00 3.58 N ATOM 336 CA ALA A 644 4.076 7.271 -7.036 1.00 4.14 C ATOM 337 C ALA A 644 3.182 7.627 -8.216 1.00 5.22 C ATOM 338 O ALA A 644 2.752 6.751 -8.971 1.00 5.98 O ATOM 339 CB ALA A 644 4.298 5.770 -6.962 1.00 3.76 C ATOM 0 H ALA A 644 2.627 7.312 -5.525 1.00 3.58 H new ATOM 0 HA ALA A 644 5.039 7.758 -7.189 1.00 4.14 H new ATOM 0 HB1 ALA A 644 4.724 5.418 -7.902 1.00 3.76 H new ATOM 0 HB2 ALA A 644 4.984 5.543 -6.146 1.00 3.76 H new ATOM 0 HB3 ALA A 644 3.346 5.270 -6.785 1.00 3.76 H new ATOM 345 N LEU A 645 2.912 8.921 -8.362 1.00 5.58 N ATOM 346 CA LEU A 645 2.056 9.429 -9.429 1.00 6.84 C ATOM 347 C LEU A 645 0.684 8.778 -9.362 1.00 7.35 C ATOM 348 O LEU A 645 0.215 8.184 -10.332 1.00 8.01 O ATOM 349 CB LEU A 645 2.695 9.194 -10.802 1.00 7.29 C ATOM 350 CG LEU A 645 4.015 9.930 -11.038 1.00 7.38 C ATOM 351 CD1 LEU A 645 4.644 9.484 -12.347 1.00 7.91 C ATOM 352 CD2 LEU A 645 3.797 11.436 -11.044 1.00 7.94 C ATOM 0 H LEU A 645 3.280 9.645 -7.745 1.00 5.58 H new ATOM 0 HA LEU A 645 1.939 10.504 -9.290 1.00 6.84 H new ATOM 0 HB2 LEU A 645 2.866 8.125 -10.928 1.00 7.29 H new ATOM 0 HB3 LEU A 645 1.986 9.496 -11.572 1.00 7.29 H new ATOM 0 HG LEU A 645 4.694 9.683 -10.222 1.00 7.38 H new ATOM 0 HD11 LEU A 645 5.582 10.017 -12.500 1.00 7.91 H new ATOM 0 HD12 LEU A 645 4.837 8.412 -12.311 1.00 7.91 H new ATOM 0 HD13 LEU A 645 3.964 9.703 -13.170 1.00 7.91 H new ATOM 0 HD21 LEU A 645 4.748 11.941 -11.213 1.00 7.94 H new ATOM 0 HD22 LEU A 645 3.100 11.700 -11.839 1.00 7.94 H new ATOM 0 HD23 LEU A 645 3.387 11.748 -10.084 1.00 7.94 H new ATOM 364 N GLU A 646 0.053 8.888 -8.204 1.00 7.22 N ATOM 365 CA GLU A 646 -1.244 8.278 -7.973 1.00 7.76 C ATOM 366 C GLU A 646 -2.333 9.006 -8.740 1.00 8.33 C ATOM 367 O GLU A 646 -2.859 10.024 -8.289 1.00 8.43 O ATOM 368 CB GLU A 646 -1.569 8.259 -6.479 1.00 7.59 C ATOM 369 CG GLU A 646 -0.741 7.253 -5.701 1.00 7.98 C ATOM 370 CD GLU A 646 -0.841 5.860 -6.289 1.00 8.43 C ATOM 371 OE1 GLU A 646 -1.950 5.285 -6.287 1.00 8.62 O ATOM 372 OE2 GLU A 646 0.187 5.339 -6.765 1.00 8.80 O ATOM 0 H GLU A 646 0.424 9.400 -7.403 1.00 7.22 H new ATOM 0 HA GLU A 646 -1.202 7.251 -8.335 1.00 7.76 H new ATOM 0 HB2 GLU A 646 -1.404 9.254 -6.065 1.00 7.59 H new ATOM 0 HB3 GLU A 646 -2.626 8.030 -6.346 1.00 7.59 H new ATOM 0 HG2 GLU A 646 0.302 7.570 -5.694 1.00 7.98 H new ATOM 0 HG3 GLU A 646 -1.075 7.234 -4.664 1.00 7.98 H new ATOM 379 N MET A 647 -2.652 8.485 -9.911 1.00 8.91 N ATOM 380 CA MET A 647 -3.705 9.041 -10.736 1.00 9.60 C ATOM 381 C MET A 647 -4.870 8.071 -10.782 1.00 9.81 C ATOM 382 O MET A 647 -4.912 7.163 -11.615 1.00 10.24 O ATOM 383 CB MET A 647 -3.181 9.342 -12.141 1.00 10.34 C ATOM 384 CG MET A 647 -2.160 10.468 -12.164 1.00 10.82 C ATOM 385 SD MET A 647 -1.435 10.735 -13.792 1.00 11.51 S ATOM 386 CE MET A 647 -0.439 12.188 -13.469 1.00 12.08 C ATOM 0 H MET A 647 -2.191 7.669 -10.314 1.00 8.91 H new ATOM 0 HA MET A 647 -4.048 9.981 -10.304 1.00 9.60 H new ATOM 0 HB2 MET A 647 -2.729 8.441 -12.556 1.00 10.34 H new ATOM 0 HB3 MET A 647 -4.019 9.605 -12.787 1.00 10.34 H new ATOM 0 HG2 MET A 647 -2.637 11.389 -11.830 1.00 10.82 H new ATOM 0 HG3 MET A 647 -1.366 10.244 -11.452 1.00 10.82 H new ATOM 0 HE1 MET A 647 0.078 12.485 -14.381 1.00 12.08 H new ATOM 0 HE2 MET A 647 -1.082 13.003 -13.135 1.00 12.08 H new ATOM 0 HE3 MET A 647 0.293 11.962 -12.694 1.00 12.08 H new ATOM 396 N THR A 648 -5.798 8.257 -9.858 1.00 9.65 N ATOM 397 CA THR A 648 -6.924 7.355 -9.698 1.00 9.89 C ATOM 398 C THR A 648 -7.997 7.614 -10.756 1.00 10.52 C ATOM 399 O THR A 648 -9.113 8.035 -10.445 1.00 10.68 O ATOM 400 CB THR A 648 -7.532 7.510 -8.292 1.00 9.58 C ATOM 401 OG1 THR A 648 -6.491 7.811 -7.350 1.00 9.43 O ATOM 402 CG2 THR A 648 -8.243 6.236 -7.861 1.00 9.40 C ATOM 0 H THR A 648 -5.791 9.036 -9.200 1.00 9.65 H new ATOM 0 HA THR A 648 -6.557 6.336 -9.825 1.00 9.89 H new ATOM 0 HB THR A 648 -8.259 8.322 -8.321 1.00 9.58 H new ATOM 0 HG1 THR A 648 -6.878 7.911 -6.455 1.00 9.43 H new ATOM 0 HG21 THR A 648 -8.663 6.373 -6.865 1.00 9.40 H new ATOM 0 HG22 THR A 648 -9.044 6.011 -8.565 1.00 9.40 H new ATOM 0 HG23 THR A 648 -7.532 5.410 -7.844 1.00 9.40 H new ATOM 410 N ASP A 649 -7.645 7.364 -12.007 1.00 11.04 N ATOM 411 CA ASP A 649 -8.572 7.525 -13.119 1.00 11.77 C ATOM 412 C ASP A 649 -8.932 6.164 -13.688 1.00 11.96 C ATOM 413 O ASP A 649 -8.524 5.810 -14.796 1.00 12.46 O ATOM 414 CB ASP A 649 -7.965 8.404 -14.215 1.00 12.46 C ATOM 415 CG ASP A 649 -7.743 9.831 -13.764 1.00 13.07 C ATOM 416 OD1 ASP A 649 -6.635 10.142 -13.277 1.00 13.39 O ATOM 417 OD2 ASP A 649 -8.675 10.649 -13.889 1.00 13.37 O ATOM 0 H ASP A 649 -6.715 7.046 -12.281 1.00 11.04 H new ATOM 0 HA ASP A 649 -9.473 8.014 -12.748 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -7.014 7.976 -14.533 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -8.623 8.400 -15.084 1.00 12.46 H new ATOM 422 N CYS A 650 -9.687 5.398 -12.919 1.00 11.69 N ATOM 423 CA CYS A 650 -10.054 4.052 -13.315 1.00 11.94 C ATOM 424 C CYS A 650 -11.397 3.670 -12.706 1.00 12.07 C ATOM 425 O CYS A 650 -11.475 3.283 -11.538 1.00 12.15 O ATOM 426 CB CYS A 650 -8.970 3.059 -12.876 1.00 11.96 C ATOM 427 SG CYS A 650 -9.294 1.346 -13.353 1.00 12.13 S ATOM 0 H CYS A 650 -10.058 5.688 -12.014 1.00 11.69 H new ATOM 0 HA CYS A 650 -10.142 4.018 -14.401 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -8.016 3.368 -13.303 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -8.866 3.109 -11.792 1.00 11.96 H new ATOM 0 HG CYS A 650 -8.322 0.589 -12.939 1.00 12.13 H new ATOM 433 N ASP A 651 -12.453 3.773 -13.503 1.00 12.25 N ATOM 434 CA ASP A 651 -13.803 3.458 -13.043 1.00 12.49 C ATOM 435 C ASP A 651 -14.086 1.967 -13.179 1.00 12.81 C ATOM 436 O ASP A 651 -15.186 1.561 -13.558 1.00 12.82 O ATOM 437 CB ASP A 651 -14.851 4.260 -13.824 1.00 12.51 C ATOM 438 CG ASP A 651 -14.742 5.754 -13.595 1.00 12.95 C ATOM 439 OD1 ASP A 651 -15.433 6.279 -12.697 1.00 13.19 O ATOM 440 OD2 ASP A 651 -13.966 6.417 -14.316 1.00 13.19 O ATOM 0 H ASP A 651 -12.402 4.074 -14.476 1.00 12.25 H new ATOM 0 HA ASP A 651 -13.867 3.734 -11.991 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -14.741 4.052 -14.888 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -15.847 3.925 -13.535 1.00 12.51 H new ATOM 445 N GLU A 652 -13.081 1.163 -12.876 1.00 13.23 N ATOM 446 CA GLU A 652 -13.210 -0.286 -12.903 1.00 13.69 C ATOM 447 C GLU A 652 -13.860 -0.761 -11.607 1.00 13.73 C ATOM 448 O GLU A 652 -13.215 -0.801 -10.556 1.00 14.19 O ATOM 449 CB GLU A 652 -11.830 -0.927 -13.087 1.00 14.37 C ATOM 450 CG GLU A 652 -11.819 -2.441 -12.978 1.00 14.63 C ATOM 451 CD GLU A 652 -10.412 -2.997 -12.929 1.00 15.07 C ATOM 452 OE1 GLU A 652 -9.936 -3.510 -13.964 1.00 15.16 O ATOM 453 OE2 GLU A 652 -9.775 -2.928 -11.856 1.00 15.45 O ATOM 0 H GLU A 652 -12.155 1.494 -12.605 1.00 13.23 H new ATOM 0 HA GLU A 652 -13.840 -0.584 -13.741 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -11.439 -0.643 -14.064 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -11.150 -0.517 -12.340 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -12.360 -2.744 -12.081 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -12.348 -2.869 -13.829 1.00 14.63 H new ATOM 460 N GLY A 653 -15.140 -1.096 -11.686 1.00 13.37 N ATOM 461 CA GLY A 653 -15.881 -1.476 -10.502 1.00 13.46 C ATOM 462 C GLY A 653 -16.093 -0.300 -9.575 1.00 12.98 C ATOM 463 O GLY A 653 -15.554 -0.272 -8.467 1.00 13.22 O ATOM 0 H GLY A 653 -15.679 -1.111 -12.552 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -16.847 -1.889 -10.794 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -15.344 -2.264 -9.974 1.00 13.46 H new ATOM 467 N GLY A 654 -16.875 0.668 -10.041 1.00 12.43 N ATOM 468 CA GLY A 654 -17.117 1.888 -9.289 1.00 12.06 C ATOM 469 C GLY A 654 -17.525 1.634 -7.854 1.00 11.36 C ATOM 470 O GLY A 654 -16.758 1.900 -6.932 1.00 11.43 O ATOM 0 H GLY A 654 -17.353 0.628 -10.941 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -16.214 2.499 -9.300 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -17.898 2.464 -9.785 1.00 12.06 H new ATOM 474 N GLU A 655 -18.720 1.107 -7.660 1.00 10.85 N ATOM 475 CA GLU A 655 -19.208 0.813 -6.325 1.00 10.24 C ATOM 476 C GLU A 655 -18.992 -0.666 -6.004 1.00 9.73 C ATOM 477 O GLU A 655 -19.836 -1.320 -5.391 1.00 9.57 O ATOM 478 CB GLU A 655 -20.688 1.182 -6.214 1.00 10.26 C ATOM 479 CG GLU A 655 -21.179 1.309 -4.782 1.00 10.19 C ATOM 480 CD GLU A 655 -22.662 1.582 -4.703 1.00 10.69 C ATOM 481 OE1 GLU A 655 -23.416 0.682 -4.282 1.00 10.96 O ATOM 482 OE2 GLU A 655 -23.086 2.699 -5.069 1.00 10.98 O ATOM 0 H GLU A 655 -19.371 0.874 -8.410 1.00 10.85 H new ATOM 0 HA GLU A 655 -18.651 1.408 -5.601 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -20.858 2.126 -6.732 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -21.282 0.425 -6.727 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -20.952 0.391 -4.240 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -20.637 2.114 -4.285 1.00 10.19 H new ATOM 489 N TYR A 656 -17.857 -1.195 -6.439 1.00 9.64 N ATOM 490 CA TYR A 656 -17.512 -2.582 -6.169 1.00 9.25 C ATOM 491 C TYR A 656 -16.980 -2.717 -4.750 1.00 8.16 C ATOM 492 O TYR A 656 -15.776 -2.667 -4.515 1.00 8.22 O ATOM 493 CB TYR A 656 -16.479 -3.095 -7.181 1.00 10.13 C ATOM 494 CG TYR A 656 -16.096 -4.549 -6.989 1.00 10.38 C ATOM 495 CD1 TYR A 656 -16.920 -5.572 -7.439 1.00 10.66 C ATOM 496 CD2 TYR A 656 -14.906 -4.896 -6.358 1.00 10.57 C ATOM 497 CE1 TYR A 656 -16.571 -6.898 -7.269 1.00 11.10 C ATOM 498 CE2 TYR A 656 -14.550 -6.219 -6.182 1.00 10.97 C ATOM 499 CZ TYR A 656 -15.386 -7.216 -6.639 1.00 11.23 C ATOM 500 OH TYR A 656 -15.031 -8.537 -6.470 1.00 11.80 O ATOM 0 H TYR A 656 -17.160 -0.684 -6.980 1.00 9.64 H new ATOM 0 HA TYR A 656 -18.412 -3.189 -6.269 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -16.876 -2.965 -8.188 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -15.581 -2.481 -7.111 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -17.850 -5.327 -7.930 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -14.249 -4.117 -5.999 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -17.223 -7.681 -7.627 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -13.623 -6.471 -5.689 1.00 10.97 H new ATOM 0 HH TYR A 656 -15.435 -8.881 -5.646 1.00 11.80 H new ATOM 510 N ASP A 657 -17.894 -2.857 -3.808 1.00 7.39 N ATOM 511 CA ASP A 657 -17.534 -3.023 -2.408 1.00 6.44 C ATOM 512 C ASP A 657 -17.527 -4.498 -2.023 1.00 6.09 C ATOM 513 O ASP A 657 -17.089 -4.864 -0.932 1.00 6.31 O ATOM 514 CB ASP A 657 -18.510 -2.249 -1.516 1.00 6.14 C ATOM 515 CG ASP A 657 -19.905 -2.846 -1.508 1.00 5.90 C ATOM 516 OD1 ASP A 657 -20.328 -3.364 -0.455 1.00 5.94 O ATOM 517 OD2 ASP A 657 -20.586 -2.802 -2.554 1.00 6.00 O ATOM 0 H ASP A 657 -18.898 -2.859 -3.987 1.00 7.39 H new ATOM 0 HA ASP A 657 -16.530 -2.625 -2.263 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -18.124 -2.228 -0.497 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -18.565 -1.215 -1.858 1.00 6.14 H new ATOM 522 N GLY A 658 -17.995 -5.341 -2.937 1.00 5.88 N ATOM 523 CA GLY A 658 -18.096 -6.763 -2.669 1.00 5.75 C ATOM 524 C GLY A 658 -16.790 -7.496 -2.890 1.00 4.80 C ATOM 525 O GLY A 658 -16.678 -8.330 -3.788 1.00 5.02 O ATOM 0 H GLY A 658 -18.309 -5.061 -3.866 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -18.421 -6.912 -1.639 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -18.863 -7.195 -3.311 1.00 5.75 H new ATOM 529 N MET A 659 -15.803 -7.176 -2.069 1.00 3.98 N ATOM 530 CA MET A 659 -14.510 -7.842 -2.118 1.00 3.13 C ATOM 531 C MET A 659 -14.659 -9.291 -1.667 1.00 2.86 C ATOM 532 O MET A 659 -15.255 -9.562 -0.620 1.00 2.97 O ATOM 533 CB MET A 659 -13.517 -7.090 -1.223 1.00 2.88 C ATOM 534 CG MET A 659 -12.074 -7.584 -1.299 1.00 2.45 C ATOM 535 SD MET A 659 -11.802 -9.146 -0.437 1.00 2.41 S ATOM 536 CE MET A 659 -10.016 -9.254 -0.518 1.00 2.25 C ATOM 0 H MET A 659 -15.874 -6.452 -1.354 1.00 3.98 H new ATOM 0 HA MET A 659 -14.131 -7.839 -3.140 1.00 3.13 H new ATOM 0 HB2 MET A 659 -13.538 -6.034 -1.491 1.00 2.88 H new ATOM 0 HB3 MET A 659 -13.856 -7.163 -0.190 1.00 2.88 H new ATOM 0 HG2 MET A 659 -11.793 -7.702 -2.346 1.00 2.45 H new ATOM 0 HG3 MET A 659 -11.416 -6.825 -0.876 1.00 2.45 H new ATOM 0 HE1 MET A 659 -9.708 -10.290 -0.380 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.674 -8.900 -1.490 1.00 2.25 H new ATOM 0 HE3 MET A 659 -9.578 -8.638 0.267 1.00 2.25 H new ATOM 546 N GLN A 660 -14.135 -10.221 -2.456 1.00 3.00 N ATOM 547 CA GLN A 660 -14.233 -11.635 -2.128 1.00 3.07 C ATOM 548 C GLN A 660 -13.108 -12.422 -2.792 1.00 2.63 C ATOM 549 O GLN A 660 -13.312 -13.103 -3.800 1.00 3.22 O ATOM 550 CB GLN A 660 -15.592 -12.187 -2.559 1.00 3.99 C ATOM 551 CG GLN A 660 -15.852 -13.606 -2.082 1.00 4.68 C ATOM 552 CD GLN A 660 -17.165 -14.160 -2.592 1.00 5.55 C ATOM 553 OE1 GLN A 660 -17.620 -13.813 -3.681 1.00 6.02 O ATOM 554 NE2 GLN A 660 -17.785 -15.024 -1.805 1.00 6.10 N ATOM 0 H GLN A 660 -13.639 -10.021 -3.325 1.00 3.00 H new ATOM 0 HA GLN A 660 -14.137 -11.744 -1.048 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -16.377 -11.535 -2.177 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -15.657 -12.161 -3.647 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -15.037 -14.251 -2.411 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -15.853 -13.625 -0.992 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -17.373 -15.285 -0.909 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -18.675 -15.429 -2.094 1.00 6.10 H new ATOM 563 N ASP A 661 -11.920 -12.305 -2.228 1.00 2.13 N ATOM 564 CA ASP A 661 -10.760 -13.039 -2.709 1.00 2.09 C ATOM 565 C ASP A 661 -9.703 -13.084 -1.613 1.00 1.75 C ATOM 566 O ASP A 661 -9.769 -12.305 -0.661 1.00 1.98 O ATOM 567 CB ASP A 661 -10.191 -12.386 -3.984 1.00 2.69 C ATOM 568 CG ASP A 661 -9.520 -11.042 -3.744 1.00 3.26 C ATOM 569 OD1 ASP A 661 -8.289 -11.012 -3.528 1.00 3.86 O ATOM 570 OD2 ASP A 661 -10.226 -10.011 -3.728 1.00 3.59 O ATOM 0 H ASP A 661 -11.730 -11.702 -1.427 1.00 2.13 H new ATOM 0 HA ASP A 661 -11.060 -14.056 -2.961 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -9.469 -13.065 -4.437 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -10.999 -12.254 -4.704 1.00 2.69 H new ATOM 575 N GLU A 662 -8.765 -14.019 -1.715 1.00 1.44 N ATOM 576 CA GLU A 662 -7.666 -14.086 -0.762 1.00 1.24 C ATOM 577 C GLU A 662 -6.825 -12.828 -0.879 1.00 1.00 C ATOM 578 O GLU A 662 -6.386 -12.484 -1.977 1.00 1.01 O ATOM 579 CB GLU A 662 -6.790 -15.315 -1.006 1.00 1.40 C ATOM 580 CG GLU A 662 -7.516 -16.638 -0.837 1.00 1.93 C ATOM 581 CD GLU A 662 -6.565 -17.812 -0.824 1.00 2.45 C ATOM 582 OE1 GLU A 662 -6.163 -18.246 0.275 1.00 2.64 O ATOM 583 OE2 GLU A 662 -6.217 -18.309 -1.915 1.00 3.19 O ATOM 0 H GLU A 662 -8.744 -14.735 -2.442 1.00 1.44 H new ATOM 0 HA GLU A 662 -8.085 -14.166 0.241 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -6.383 -15.263 -2.016 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -5.944 -15.287 -0.319 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -8.085 -16.623 0.093 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -8.234 -16.763 -1.648 1.00 1.93 H new ATOM 590 N PRO A 663 -6.582 -12.127 0.243 1.00 0.86 N ATOM 591 CA PRO A 663 -5.951 -10.813 0.201 1.00 0.68 C ATOM 592 C PRO A 663 -4.604 -10.849 -0.507 1.00 0.57 C ATOM 593 O PRO A 663 -3.648 -11.468 -0.038 1.00 0.62 O ATOM 594 CB PRO A 663 -5.767 -10.440 1.679 1.00 0.69 C ATOM 595 CG PRO A 663 -5.966 -11.709 2.447 1.00 0.86 C ATOM 596 CD PRO A 663 -6.883 -12.564 1.615 1.00 0.97 C ATOM 0 HA PRO A 663 -6.554 -10.094 -0.354 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.774 -10.026 1.857 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.488 -9.681 1.984 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -5.015 -12.212 2.620 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -6.403 -11.508 3.425 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -6.682 -13.626 1.754 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -7.930 -12.401 1.871 1.00 0.97 H new ATOM 604 N ARG A 664 -4.531 -10.136 -1.617 1.00 0.52 N ATOM 605 CA ARG A 664 -3.324 -10.082 -2.424 1.00 0.49 C ATOM 606 C ARG A 664 -2.316 -9.114 -1.828 1.00 0.35 C ATOM 607 O ARG A 664 -1.106 -9.329 -1.900 1.00 0.34 O ATOM 608 CB ARG A 664 -3.688 -9.673 -3.853 1.00 0.65 C ATOM 609 CG ARG A 664 -4.424 -10.759 -4.623 1.00 1.17 C ATOM 610 CD ARG A 664 -5.277 -10.179 -5.739 1.00 1.16 C ATOM 611 NE ARG A 664 -6.590 -9.743 -5.256 1.00 1.69 N ATOM 612 CZ ARG A 664 -7.259 -8.691 -5.731 1.00 2.17 C ATOM 613 NH1 ARG A 664 -6.715 -7.908 -6.657 1.00 2.20 N ATOM 614 NH2 ARG A 664 -8.478 -8.424 -5.276 1.00 3.16 N ATOM 0 H ARG A 664 -5.303 -9.580 -1.984 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.863 -11.069 -2.440 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -4.308 -8.777 -3.820 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -2.777 -9.410 -4.391 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -3.702 -11.459 -5.043 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -5.056 -11.325 -3.939 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -4.758 -9.334 -6.190 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -5.408 -10.927 -6.521 1.00 1.16 H new ATOM 0 HE ARG A 664 -7.022 -10.281 -4.505 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -5.779 -8.109 -7.010 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -7.233 -7.106 -7.015 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -8.900 -9.022 -4.566 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -8.992 -7.621 -5.637 1.00 3.16 H new ATOM 628 N TYR A 665 -2.830 -8.065 -1.201 1.00 0.30 N ATOM 629 CA TYR A 665 -1.996 -7.003 -0.667 1.00 0.25 C ATOM 630 C TYR A 665 -1.079 -7.513 0.437 1.00 0.22 C ATOM 631 O TYR A 665 0.009 -6.991 0.627 1.00 0.22 O ATOM 632 CB TYR A 665 -2.865 -5.841 -0.169 1.00 0.27 C ATOM 633 CG TYR A 665 -3.936 -6.224 0.833 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.136 -6.792 0.421 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.751 -5.999 2.189 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.116 -7.127 1.334 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.726 -6.332 3.107 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.905 -6.895 2.677 1.00 0.64 C ATOM 639 OH TYR A 665 -6.875 -7.228 3.594 1.00 0.81 O ATOM 0 H TYR A 665 -3.829 -7.929 -1.050 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.359 -6.638 -1.473 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.217 -5.091 0.284 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.344 -5.371 -1.028 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.304 -6.974 -0.630 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.828 -5.556 2.532 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.043 -7.568 0.998 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.564 -6.151 4.159 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.565 -6.999 4.495 1.00 0.81 H new ATOM 649 N MET A 666 -1.504 -8.559 1.135 1.00 0.25 N ATOM 650 CA MET A 666 -0.699 -9.131 2.209 1.00 0.28 C ATOM 651 C MET A 666 0.508 -9.854 1.634 1.00 0.25 C ATOM 652 O MET A 666 1.621 -9.730 2.140 1.00 0.25 O ATOM 653 CB MET A 666 -1.530 -10.095 3.057 1.00 0.37 C ATOM 654 CG MET A 666 -2.607 -9.410 3.881 1.00 0.48 C ATOM 655 SD MET A 666 -3.626 -10.580 4.794 1.00 1.17 S ATOM 656 CE MET A 666 -4.826 -9.472 5.530 1.00 1.14 C ATOM 0 H MET A 666 -2.397 -9.027 0.978 1.00 0.25 H new ATOM 0 HA MET A 666 -0.356 -8.317 2.847 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.998 -10.830 2.402 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.866 -10.642 3.726 1.00 0.37 H new ATOM 0 HG2 MET A 666 -2.139 -8.718 4.581 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.242 -8.817 3.222 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.488 -10.037 6.186 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.308 -8.707 6.108 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.413 -8.997 4.744 1.00 1.14 H new ATOM 666 N MET A 667 0.280 -10.583 0.553 1.00 0.26 N ATOM 667 CA MET A 667 1.344 -11.316 -0.111 1.00 0.27 C ATOM 668 C MET A 667 2.305 -10.338 -0.774 1.00 0.23 C ATOM 669 O MET A 667 3.525 -10.459 -0.648 1.00 0.23 O ATOM 670 CB MET A 667 0.749 -12.269 -1.151 1.00 0.34 C ATOM 671 CG MET A 667 1.784 -13.006 -1.988 1.00 0.47 C ATOM 672 SD MET A 667 1.035 -14.048 -3.256 1.00 1.20 S ATOM 673 CE MET A 667 0.060 -12.840 -4.151 1.00 1.10 C ATOM 0 H MET A 667 -0.636 -10.682 0.116 1.00 0.26 H new ATOM 0 HA MET A 667 1.893 -11.903 0.625 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.123 -13.001 -0.640 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.098 -11.702 -1.816 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.445 -12.281 -2.463 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.402 -13.622 -1.335 1.00 0.47 H new ATOM 0 HE1 MET A 667 -0.409 -13.317 -5.012 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.711 -12.436 -3.495 1.00 1.10 H new ATOM 0 HE3 MET A 667 0.706 -12.031 -4.492 1.00 1.10 H new ATOM 683 N LEU A 668 1.738 -9.350 -1.456 1.00 0.21 N ATOM 684 CA LEU A 668 2.530 -8.322 -2.120 1.00 0.19 C ATOM 685 C LEU A 668 3.298 -7.485 -1.099 1.00 0.17 C ATOM 686 O LEU A 668 4.429 -7.072 -1.352 1.00 0.17 O ATOM 687 CB LEU A 668 1.641 -7.416 -2.986 1.00 0.21 C ATOM 688 CG LEU A 668 1.369 -7.908 -4.418 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.735 -9.291 -4.430 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.483 -6.919 -5.156 1.00 0.80 C ATOM 0 H LEU A 668 0.730 -9.239 -1.564 1.00 0.21 H new ATOM 0 HA LEU A 668 3.248 -8.823 -2.770 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.684 -7.288 -2.479 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.106 -6.432 -3.043 1.00 0.21 H new ATOM 0 HG LEU A 668 2.330 -7.980 -4.928 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.559 -9.602 -5.460 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.404 -10.002 -3.946 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.213 -9.261 -3.893 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.299 -7.280 -6.168 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.466 -6.817 -4.629 1.00 0.80 H new ATOM 0 HD23 LEU A 668 0.979 -5.950 -5.201 1.00 0.80 H new ATOM 702 N ALA A 669 2.704 -7.268 0.072 1.00 0.18 N ATOM 703 CA ALA A 669 3.361 -6.496 1.118 1.00 0.19 C ATOM 704 C ALA A 669 4.419 -7.342 1.806 1.00 0.20 C ATOM 705 O ALA A 669 5.436 -6.830 2.261 1.00 0.22 O ATOM 706 CB ALA A 669 2.353 -5.983 2.134 1.00 0.23 C ATOM 0 H ALA A 669 1.776 -7.614 0.317 1.00 0.18 H new ATOM 0 HA ALA A 669 3.841 -5.634 0.655 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.871 -5.410 2.903 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.625 -5.344 1.634 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.839 -6.827 2.594 1.00 0.23 H new ATOM 712 N ARG A 670 4.170 -8.647 1.875 1.00 0.22 N ATOM 713 CA ARG A 670 5.140 -9.585 2.419 1.00 0.26 C ATOM 714 C ARG A 670 6.368 -9.627 1.520 1.00 0.23 C ATOM 715 O ARG A 670 7.506 -9.607 1.994 1.00 0.25 O ATOM 716 CB ARG A 670 4.514 -10.976 2.535 1.00 0.33 C ATOM 717 CG ARG A 670 5.405 -12.008 3.204 1.00 0.41 C ATOM 718 CD ARG A 670 4.659 -13.315 3.411 1.00 0.83 C ATOM 719 NE ARG A 670 3.418 -13.116 4.164 1.00 1.62 N ATOM 720 CZ ARG A 670 2.473 -14.047 4.308 1.00 2.33 C ATOM 721 NH1 ARG A 670 2.649 -15.265 3.806 1.00 2.41 N ATOM 722 NH2 ARG A 670 1.359 -13.762 4.971 1.00 3.33 N ATOM 0 H ARG A 670 3.301 -9.077 1.559 1.00 0.22 H new ATOM 0 HA ARG A 670 5.442 -9.258 3.414 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.584 -10.897 3.097 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.254 -11.329 1.537 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.290 -12.183 2.591 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.752 -11.627 4.164 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.430 -13.761 2.443 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.299 -14.019 3.943 1.00 0.83 H new ATOM 0 HE ARG A 670 3.267 -12.209 4.606 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.510 -15.492 3.308 1.00 2.41 H new ATOM 0 HH12 ARG A 670 1.923 -15.973 3.919 1.00 2.41 H new ATOM 0 HH21 ARG A 670 1.226 -12.832 5.369 1.00 3.33 H new ATOM 0 HH22 ARG A 670 0.636 -14.472 5.082 1.00 3.33 H new ATOM 736 N GLU A 671 6.126 -9.641 0.216 1.00 0.22 N ATOM 737 CA GLU A 671 7.204 -9.611 -0.754 1.00 0.23 C ATOM 738 C GLU A 671 7.922 -8.268 -0.663 1.00 0.19 C ATOM 739 O GLU A 671 9.151 -8.208 -0.635 1.00 0.21 O ATOM 740 CB GLU A 671 6.648 -9.853 -2.161 1.00 0.30 C ATOM 741 CG GLU A 671 7.709 -9.899 -3.247 1.00 0.38 C ATOM 742 CD GLU A 671 7.161 -10.380 -4.576 1.00 0.99 C ATOM 743 OE1 GLU A 671 6.846 -9.532 -5.435 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.047 -11.611 -4.772 1.00 1.11 O ATOM 0 H GLU A 671 5.191 -9.673 -0.191 1.00 0.22 H new ATOM 0 HA GLU A 671 7.921 -10.403 -0.540 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.097 -10.794 -2.166 1.00 0.30 H new ATOM 0 HB3 GLU A 671 5.934 -9.064 -2.399 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.138 -8.905 -3.373 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.518 -10.558 -2.932 1.00 0.38 H new ATOM 751 N ALA A 672 7.140 -7.197 -0.577 1.00 0.17 N ATOM 752 CA ALA A 672 7.680 -5.860 -0.362 1.00 0.18 C ATOM 753 C ALA A 672 8.556 -5.807 0.888 1.00 0.20 C ATOM 754 O ALA A 672 9.617 -5.189 0.882 1.00 0.23 O ATOM 755 CB ALA A 672 6.553 -4.843 -0.257 1.00 0.21 C ATOM 0 H ALA A 672 6.123 -7.230 -0.654 1.00 0.17 H new ATOM 0 HA ALA A 672 8.304 -5.612 -1.221 1.00 0.18 H new ATOM 0 HB1 ALA A 672 6.973 -3.850 -0.097 1.00 0.21 H new ATOM 0 HB2 ALA A 672 5.972 -4.847 -1.179 1.00 0.21 H new ATOM 0 HB3 ALA A 672 5.905 -5.103 0.580 1.00 0.21 H new ATOM 761 N GLU A 673 8.113 -6.463 1.959 1.00 0.22 N ATOM 762 CA GLU A 673 8.894 -6.525 3.189 1.00 0.28 C ATOM 763 C GLU A 673 10.188 -7.287 2.965 1.00 0.28 C ATOM 764 O GLU A 673 11.235 -6.916 3.494 1.00 0.31 O ATOM 765 CB GLU A 673 8.100 -7.183 4.318 1.00 0.34 C ATOM 766 CG GLU A 673 7.108 -6.256 4.995 1.00 0.70 C ATOM 767 CD GLU A 673 6.418 -6.920 6.165 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.083 -7.158 7.196 1.00 1.16 O ATOM 769 OE2 GLU A 673 5.210 -7.215 6.059 1.00 1.76 O ATOM 0 H GLU A 673 7.221 -6.956 1.998 1.00 0.22 H new ATOM 0 HA GLU A 673 9.127 -5.501 3.480 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.563 -8.043 3.918 1.00 0.34 H new ATOM 0 HB3 GLU A 673 8.797 -7.562 5.066 1.00 0.34 H new ATOM 0 HG2 GLU A 673 7.626 -5.361 5.340 1.00 0.70 H new ATOM 0 HG3 GLU A 673 6.361 -5.933 4.270 1.00 0.70 H new ATOM 776 N MET A 674 10.122 -8.343 2.168 1.00 0.27 N ATOM 777 CA MET A 674 11.308 -9.136 1.877 1.00 0.31 C ATOM 778 C MET A 674 12.241 -8.389 0.933 1.00 0.29 C ATOM 779 O MET A 674 13.430 -8.684 0.866 1.00 0.34 O ATOM 780 CB MET A 674 10.932 -10.499 1.293 1.00 0.36 C ATOM 781 CG MET A 674 10.179 -11.387 2.270 1.00 0.54 C ATOM 782 SD MET A 674 10.063 -13.097 1.714 1.00 0.60 S ATOM 783 CE MET A 674 9.151 -12.906 0.184 1.00 0.79 C ATOM 0 H MET A 674 9.268 -8.669 1.715 1.00 0.27 H new ATOM 0 HA MET A 674 11.833 -9.305 2.817 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.320 -10.349 0.404 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.839 -11.011 0.972 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.678 -11.358 3.239 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.175 -10.989 2.416 1.00 0.54 H new ATOM 0 HE1 MET A 674 8.956 -13.887 -0.248 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.205 -12.403 0.385 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.736 -12.311 -0.517 1.00 0.79 H new ATOM 793 N LEU A 675 11.704 -7.421 0.205 1.00 0.26 N ATOM 794 CA LEU A 675 12.524 -6.559 -0.637 1.00 0.27 C ATOM 795 C LEU A 675 13.053 -5.370 0.158 1.00 0.30 C ATOM 796 O LEU A 675 14.091 -4.808 -0.173 1.00 0.39 O ATOM 797 CB LEU A 675 11.724 -6.056 -1.846 1.00 0.27 C ATOM 798 CG LEU A 675 11.833 -6.897 -3.127 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.263 -6.906 -3.642 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.345 -8.318 -2.899 1.00 0.47 C ATOM 0 H LEU A 675 10.706 -7.212 0.179 1.00 0.26 H new ATOM 0 HA LEU A 675 13.368 -7.150 -0.993 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.673 -5.998 -1.562 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.049 -5.041 -2.074 1.00 0.27 H new ATOM 0 HG LEU A 675 11.192 -6.438 -3.880 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.319 -7.507 -4.550 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.577 -5.886 -3.862 1.00 0.53 H new ATOM 0 HD13 LEU A 675 13.920 -7.332 -2.884 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.435 -8.887 -3.825 1.00 0.47 H new ATOM 0 HD22 LEU A 675 11.948 -8.790 -2.123 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.301 -8.298 -2.586 1.00 0.47 H new ATOM 812 N PHE A 676 12.326 -4.980 1.196 1.00 0.30 N ATOM 813 CA PHE A 676 12.713 -3.826 2.002 1.00 0.37 C ATOM 814 C PHE A 676 13.689 -4.220 3.109 1.00 0.42 C ATOM 815 O PHE A 676 14.806 -3.709 3.167 1.00 0.46 O ATOM 816 CB PHE A 676 11.469 -3.150 2.597 1.00 0.44 C ATOM 817 CG PHE A 676 11.761 -1.850 3.296 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.429 -1.678 4.632 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.374 -0.804 2.625 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.702 -0.490 5.281 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.647 0.387 3.270 1.00 0.82 C ATOM 822 CZ PHE A 676 12.291 0.560 4.578 1.00 0.82 C ATOM 0 H PHE A 676 11.469 -5.442 1.500 1.00 0.30 H new ATOM 0 HA PHE A 676 13.222 -3.117 1.349 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.749 -2.969 1.799 1.00 0.44 H new ATOM 0 HB3 PHE A 676 10.998 -3.834 3.303 1.00 0.44 H new ATOM 0 HD1 PHE A 676 10.951 -2.483 5.171 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.642 -0.921 1.585 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.461 -0.375 6.327 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.144 1.185 2.738 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.465 1.508 5.066 1.00 0.82 H new ATOM 832 N THR A 677 13.273 -5.124 3.986 1.00 0.47 N ATOM 833 CA THR A 677 14.111 -5.533 5.102 1.00 0.57 C ATOM 834 C THR A 677 14.985 -6.726 4.738 1.00 0.65 C ATOM 835 O THR A 677 15.828 -7.157 5.526 1.00 0.89 O ATOM 836 CB THR A 677 13.261 -5.879 6.343 1.00 0.77 C ATOM 837 OG1 THR A 677 12.227 -6.817 6.002 1.00 1.45 O ATOM 838 CG2 THR A 677 12.633 -4.627 6.928 1.00 0.97 C ATOM 0 H THR A 677 12.364 -5.585 3.946 1.00 0.47 H new ATOM 0 HA THR A 677 14.756 -4.686 5.338 1.00 0.57 H new ATOM 0 HB THR A 677 13.921 -6.328 7.086 1.00 0.77 H new ATOM 0 HG1 THR A 677 12.250 -6.994 5.038 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.038 -4.893 7.802 1.00 0.97 H new ATOM 0 HG22 THR A 677 13.418 -3.930 7.222 1.00 0.97 H new ATOM 0 HG23 THR A 677 11.992 -4.159 6.181 1.00 0.97 H new ATOM 846 N GLY A 678 14.788 -7.251 3.539 1.00 0.61 N ATOM 847 CA GLY A 678 15.519 -8.426 3.124 1.00 0.76 C ATOM 848 C GLY A 678 14.754 -9.693 3.442 1.00 1.01 C ATOM 849 O GLY A 678 13.985 -9.731 4.406 1.00 1.40 O ATOM 0 H GLY A 678 14.135 -6.884 2.847 1.00 0.61 H new ATOM 0 HA2 GLY A 678 15.714 -8.376 2.053 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.488 -8.449 3.623 1.00 0.76 H new ATOM 853 N GLY A 679 14.950 -10.724 2.642 1.00 1.33 N ATOM 854 CA GLY A 679 14.242 -11.967 2.855 1.00 1.95 C ATOM 855 C GLY A 679 15.075 -13.167 2.475 1.00 1.80 C ATOM 856 O GLY A 679 16.227 -13.018 2.065 1.00 2.07 O ATOM 0 H GLY A 679 15.588 -10.724 1.846 1.00 1.33 H new ATOM 0 HA2 GLY A 679 13.953 -12.044 3.903 1.00 1.95 H new ATOM 0 HA3 GLY A 679 13.322 -11.965 2.270 1.00 1.95 H new ATOM 860 N TYR A 680 14.495 -14.352 2.602 1.00 1.93 N ATOM 861 CA TYR A 680 15.195 -15.589 2.272 1.00 2.05 C ATOM 862 C TYR A 680 15.363 -15.725 0.761 1.00 1.75 C ATOM 863 O TYR A 680 14.548 -16.354 0.090 1.00 2.00 O ATOM 864 CB TYR A 680 14.439 -16.801 2.828 1.00 2.63 C ATOM 865 CG TYR A 680 14.259 -16.759 4.326 1.00 3.13 C ATOM 866 CD1 TYR A 680 15.350 -16.870 5.176 1.00 3.63 C ATOM 867 CD2 TYR A 680 13.000 -16.609 4.888 1.00 3.37 C ATOM 868 CE1 TYR A 680 15.193 -16.832 6.546 1.00 4.26 C ATOM 869 CE2 TYR A 680 12.834 -16.569 6.260 1.00 3.94 C ATOM 870 CZ TYR A 680 13.934 -16.682 7.083 1.00 4.36 C ATOM 871 OH TYR A 680 13.772 -16.640 8.451 1.00 5.05 O ATOM 0 H TYR A 680 13.539 -14.485 2.932 1.00 1.93 H new ATOM 0 HA TYR A 680 16.183 -15.552 2.731 1.00 2.05 H new ATOM 0 HB2 TYR A 680 13.460 -16.858 2.353 1.00 2.63 H new ATOM 0 HB3 TYR A 680 14.977 -17.710 2.559 1.00 2.63 H new ATOM 0 HD1 TYR A 680 16.339 -16.988 4.758 1.00 3.63 H new ATOM 0 HD2 TYR A 680 12.137 -16.522 4.245 1.00 3.37 H new ATOM 0 HE1 TYR A 680 16.053 -16.919 7.194 1.00 4.26 H new ATOM 0 HE2 TYR A 680 11.848 -16.450 6.685 1.00 3.94 H new ATOM 0 HH TYR A 680 12.822 -16.529 8.665 1.00 5.05 H new ATOM 881 N GLY A 681 16.418 -15.118 0.232 1.00 1.41 N ATOM 882 CA GLY A 681 16.663 -15.168 -1.196 1.00 1.29 C ATOM 883 C GLY A 681 16.298 -13.865 -1.875 1.00 1.11 C ATOM 884 O GLY A 681 16.483 -13.707 -3.083 1.00 1.20 O ATOM 0 H GLY A 681 17.109 -14.592 0.767 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.715 -15.390 -1.377 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.085 -15.981 -1.636 1.00 1.29 H new ATOM 888 N LEU A 682 15.775 -12.931 -1.096 1.00 0.95 N ATOM 889 CA LEU A 682 15.401 -11.626 -1.614 1.00 0.84 C ATOM 890 C LEU A 682 16.361 -10.571 -1.090 1.00 0.76 C ATOM 891 O LEU A 682 16.521 -10.416 0.125 1.00 0.82 O ATOM 892 CB LEU A 682 13.960 -11.258 -1.217 1.00 0.88 C ATOM 893 CG LEU A 682 12.829 -12.031 -1.918 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.009 -12.011 -3.428 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.734 -13.461 -1.406 1.00 1.38 C ATOM 0 H LEU A 682 15.600 -13.054 -0.099 1.00 0.95 H new ATOM 0 HA LEU A 682 15.454 -11.666 -2.702 1.00 0.84 H new ATOM 0 HB2 LEU A 682 13.856 -11.404 -0.142 1.00 0.88 H new ATOM 0 HB3 LEU A 682 13.815 -10.195 -1.410 1.00 0.88 H new ATOM 0 HG LEU A 682 11.892 -11.528 -1.680 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.196 -12.564 -3.899 1.00 1.10 H new ATOM 0 HD12 LEU A 682 12.999 -10.980 -3.782 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.961 -12.474 -3.687 1.00 1.10 H new ATOM 0 HD21 LEU A 682 11.925 -13.979 -1.922 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.675 -13.978 -1.595 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.534 -13.451 -0.335 1.00 1.38 H new ATOM 907 N GLU A 683 17.023 -9.876 -2.004 1.00 0.78 N ATOM 908 CA GLU A 683 17.917 -8.788 -1.635 1.00 0.79 C ATOM 909 C GLU A 683 17.094 -7.564 -1.264 1.00 0.68 C ATOM 910 O GLU A 683 15.961 -7.408 -1.719 1.00 0.78 O ATOM 911 CB GLU A 683 18.870 -8.452 -2.791 1.00 0.99 C ATOM 912 CG GLU A 683 18.181 -7.807 -3.984 1.00 1.48 C ATOM 913 CD GLU A 683 19.115 -7.565 -5.154 1.00 2.22 C ATOM 914 OE1 GLU A 683 19.967 -6.654 -5.056 1.00 2.83 O ATOM 915 OE2 GLU A 683 19.020 -8.286 -6.167 1.00 2.76 O ATOM 0 H GLU A 683 16.958 -10.047 -3.008 1.00 0.78 H new ATOM 0 HA GLU A 683 18.517 -9.098 -0.779 1.00 0.79 H new ATOM 0 HB2 GLU A 683 19.648 -7.781 -2.426 1.00 0.99 H new ATOM 0 HB3 GLU A 683 19.365 -9.366 -3.119 1.00 0.99 H new ATOM 0 HG2 GLU A 683 17.359 -8.445 -4.309 1.00 1.48 H new ATOM 0 HG3 GLU A 683 17.744 -6.858 -3.674 1.00 1.48 H new ATOM 922 N LYS A 684 17.650 -6.704 -0.431 1.00 0.64 N ATOM 923 CA LYS A 684 16.942 -5.503 -0.037 1.00 0.59 C ATOM 924 C LYS A 684 17.237 -4.371 -1.014 1.00 0.52 C ATOM 925 O LYS A 684 18.393 -4.071 -1.309 1.00 0.69 O ATOM 926 CB LYS A 684 17.284 -5.092 1.400 1.00 0.70 C ATOM 927 CG LYS A 684 18.698 -4.561 1.596 1.00 0.85 C ATOM 928 CD LYS A 684 18.960 -4.210 3.053 1.00 0.94 C ATOM 929 CE LYS A 684 17.941 -3.209 3.584 1.00 1.09 C ATOM 930 NZ LYS A 684 18.232 -2.812 4.984 1.00 1.72 N ATOM 0 H LYS A 684 18.577 -6.813 -0.020 1.00 0.64 H new ATOM 0 HA LYS A 684 15.874 -5.718 -0.066 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.577 -4.328 1.722 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.141 -5.953 2.052 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.419 -5.309 1.265 1.00 0.85 H new ATOM 0 HG3 LYS A 684 18.846 -3.678 0.975 1.00 0.85 H new ATOM 0 HD2 LYS A 684 18.928 -5.117 3.657 1.00 0.94 H new ATOM 0 HD3 LYS A 684 19.963 -3.796 3.153 1.00 0.94 H new ATOM 0 HE2 LYS A 684 17.937 -2.323 2.949 1.00 1.09 H new ATOM 0 HE3 LYS A 684 16.943 -3.644 3.530 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.342 -2.595 5.476 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 18.716 -3.592 5.473 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 18.843 -1.970 4.986 1.00 1.72 H new ATOM 944 N ASP A 685 16.180 -3.769 -1.530 1.00 0.36 N ATOM 945 CA ASP A 685 16.298 -2.676 -2.484 1.00 0.32 C ATOM 946 C ASP A 685 15.088 -1.752 -2.373 1.00 0.27 C ATOM 947 O ASP A 685 13.980 -2.132 -2.759 1.00 0.26 O ATOM 948 CB ASP A 685 16.407 -3.218 -3.911 1.00 0.35 C ATOM 949 CG ASP A 685 16.439 -2.106 -4.936 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.520 -1.521 -5.158 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.383 -1.809 -5.525 1.00 1.68 O ATOM 0 H ASP A 685 15.218 -4.021 -1.302 1.00 0.36 H new ATOM 0 HA ASP A 685 17.202 -2.113 -2.254 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.310 -3.822 -4.002 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.562 -3.876 -4.115 1.00 0.35 H new ATOM 956 N PRO A 686 15.284 -0.532 -1.832 1.00 0.29 N ATOM 957 CA PRO A 686 14.196 0.440 -1.607 1.00 0.29 C ATOM 958 C PRO A 686 13.361 0.733 -2.856 1.00 0.25 C ATOM 959 O PRO A 686 12.170 1.041 -2.757 1.00 0.25 O ATOM 960 CB PRO A 686 14.931 1.705 -1.157 1.00 0.37 C ATOM 961 CG PRO A 686 16.203 1.209 -0.569 1.00 0.42 C ATOM 962 CD PRO A 686 16.586 -0.009 -1.369 1.00 0.37 C ATOM 0 HA PRO A 686 13.476 0.055 -0.885 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.117 2.375 -1.996 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.347 2.264 -0.426 1.00 0.37 H new ATOM 0 HG2 PRO A 686 16.981 1.971 -0.623 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.074 0.959 0.484 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.237 0.247 -2.205 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.120 -0.739 -0.760 1.00 0.37 H new ATOM 970 N GLN A 687 13.979 0.632 -4.025 1.00 0.25 N ATOM 971 CA GLN A 687 13.280 0.868 -5.280 1.00 0.27 C ATOM 972 C GLN A 687 12.223 -0.207 -5.487 1.00 0.23 C ATOM 973 O GLN A 687 11.040 0.094 -5.691 1.00 0.24 O ATOM 974 CB GLN A 687 14.267 0.878 -6.449 1.00 0.35 C ATOM 975 CG GLN A 687 13.630 1.125 -7.806 1.00 0.65 C ATOM 976 CD GLN A 687 12.898 2.450 -7.875 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.490 3.481 -8.185 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.602 2.429 -7.608 1.00 1.23 N ATOM 0 H GLN A 687 14.964 0.388 -4.130 1.00 0.25 H new ATOM 0 HA GLN A 687 12.793 1.842 -5.237 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.018 1.647 -6.268 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.790 -0.078 -6.475 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.402 1.100 -8.575 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.933 0.317 -8.028 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.148 1.552 -7.354 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.057 3.290 -7.656 1.00 1.23 H new ATOM 987 N ARG A 688 12.648 -1.460 -5.387 1.00 0.22 N ATOM 988 CA ARG A 688 11.739 -2.585 -5.520 1.00 0.23 C ATOM 989 C ARG A 688 10.772 -2.598 -4.350 1.00 0.18 C ATOM 990 O ARG A 688 9.605 -2.954 -4.501 1.00 0.20 O ATOM 991 CB ARG A 688 12.511 -3.903 -5.566 1.00 0.29 C ATOM 992 CG ARG A 688 13.378 -4.069 -6.803 1.00 0.70 C ATOM 993 CD ARG A 688 14.148 -5.377 -6.765 1.00 0.78 C ATOM 994 NE ARG A 688 15.073 -5.496 -7.890 1.00 1.67 N ATOM 995 CZ ARG A 688 16.180 -6.235 -7.869 1.00 2.16 C ATOM 996 NH1 ARG A 688 16.462 -6.983 -6.810 1.00 1.85 N ATOM 997 NH2 ARG A 688 16.991 -6.247 -8.917 1.00 3.24 N ATOM 0 H ARG A 688 13.619 -1.720 -5.214 1.00 0.22 H new ATOM 0 HA ARG A 688 11.185 -2.477 -6.453 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.142 -3.973 -4.680 1.00 0.29 H new ATOM 0 HB3 ARG A 688 11.802 -4.729 -5.518 1.00 0.29 H new ATOM 0 HG2 ARG A 688 12.752 -4.039 -7.695 1.00 0.70 H new ATOM 0 HG3 ARG A 688 14.076 -3.235 -6.875 1.00 0.70 H new ATOM 0 HD2 ARG A 688 14.703 -5.445 -5.829 1.00 0.78 H new ATOM 0 HD3 ARG A 688 13.447 -6.212 -6.781 1.00 0.78 H new ATOM 0 HE ARG A 688 14.857 -4.981 -8.744 1.00 1.67 H new ATOM 0 HH11 ARG A 688 15.830 -6.993 -6.010 1.00 1.85 H new ATOM 0 HH12 ARG A 688 17.311 -7.548 -6.796 1.00 1.85 H new ATOM 0 HH21 ARG A 688 16.767 -5.689 -9.741 1.00 3.24 H new ATOM 0 HH22 ARG A 688 17.839 -6.814 -8.899 1.00 3.24 H new ATOM 1011 N SER A 689 11.273 -2.199 -3.183 1.00 0.16 N ATOM 1012 CA SER A 689 10.450 -2.097 -1.990 1.00 0.17 C ATOM 1013 C SER A 689 9.246 -1.206 -2.244 1.00 0.15 C ATOM 1014 O SER A 689 8.109 -1.640 -2.062 1.00 0.16 O ATOM 1015 CB SER A 689 11.256 -1.542 -0.819 1.00 0.21 C ATOM 1016 OG SER A 689 12.444 -2.282 -0.614 1.00 1.11 O ATOM 0 H SER A 689 12.250 -1.941 -3.043 1.00 0.16 H new ATOM 0 HA SER A 689 10.106 -3.100 -1.738 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.504 -0.498 -1.008 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.649 -1.566 0.086 1.00 0.21 H new ATOM 0 HG SER A 689 12.964 -2.303 -1.445 1.00 1.11 H new ATOM 1022 N GLY A 690 9.475 0.029 -2.696 1.00 0.16 N ATOM 1023 CA GLY A 690 8.373 0.936 -2.918 1.00 0.18 C ATOM 1024 C GLY A 690 7.523 0.511 -4.090 1.00 0.17 C ATOM 1025 O GLY A 690 6.310 0.714 -4.088 1.00 0.19 O ATOM 0 H GLY A 690 10.398 0.408 -2.909 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.756 0.985 -2.021 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.759 1.940 -3.094 1.00 0.18 H new ATOM 1029 N ASP A 691 8.156 -0.096 -5.087 1.00 0.17 N ATOM 1030 CA ASP A 691 7.438 -0.589 -6.259 1.00 0.20 C ATOM 1031 C ASP A 691 6.437 -1.666 -5.836 1.00 0.18 C ATOM 1032 O ASP A 691 5.264 -1.638 -6.217 1.00 0.22 O ATOM 1033 CB ASP A 691 8.428 -1.143 -7.291 1.00 0.26 C ATOM 1034 CG ASP A 691 7.776 -1.484 -8.615 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.056 -0.627 -9.166 1.00 0.84 O ATOM 1036 OD2 ASP A 691 8.009 -2.600 -9.128 1.00 1.54 O ATOM 0 H ASP A 691 9.163 -0.259 -5.109 1.00 0.17 H new ATOM 0 HA ASP A 691 6.891 0.234 -6.719 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.217 -0.410 -7.459 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.904 -2.036 -6.886 1.00 0.26 H new ATOM 1041 N LEU A 692 6.894 -2.587 -4.997 1.00 0.16 N ATOM 1042 CA LEU A 692 6.043 -3.660 -4.512 1.00 0.16 C ATOM 1043 C LEU A 692 5.050 -3.145 -3.472 1.00 0.15 C ATOM 1044 O LEU A 692 3.918 -3.614 -3.409 1.00 0.16 O ATOM 1045 CB LEU A 692 6.889 -4.794 -3.927 1.00 0.20 C ATOM 1046 CG LEU A 692 6.723 -6.152 -4.609 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.298 -6.656 -4.461 1.00 1.35 C ATOM 1048 CD2 LEU A 692 7.106 -6.064 -6.078 1.00 0.73 C ATOM 0 H LEU A 692 7.849 -2.610 -4.640 1.00 0.16 H new ATOM 0 HA LEU A 692 5.476 -4.049 -5.358 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.939 -4.506 -3.979 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.640 -4.903 -2.871 1.00 0.20 H new ATOM 0 HG LEU A 692 7.391 -6.862 -4.121 1.00 0.48 H new ATOM 0 HD11 LEU A 692 5.201 -7.624 -4.953 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.057 -6.761 -3.403 1.00 1.35 H new ATOM 0 HD13 LEU A 692 4.611 -5.945 -4.920 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.981 -7.041 -6.546 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.466 -5.338 -6.578 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.146 -5.751 -6.165 1.00 0.73 H new ATOM 1060 N TYR A 693 5.471 -2.174 -2.664 1.00 0.15 N ATOM 1061 CA TYR A 693 4.579 -1.568 -1.676 1.00 0.17 C ATOM 1062 C TYR A 693 3.448 -0.809 -2.352 1.00 0.18 C ATOM 1063 O TYR A 693 2.310 -0.833 -1.886 1.00 0.20 O ATOM 1064 CB TYR A 693 5.333 -0.633 -0.722 1.00 0.21 C ATOM 1065 CG TYR A 693 5.831 -1.319 0.531 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.934 -1.860 1.443 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.189 -1.418 0.811 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.374 -2.481 2.595 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.637 -2.040 1.959 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.726 -2.568 2.847 1.00 1.05 C ATOM 1071 OH TYR A 693 7.169 -3.179 3.998 1.00 1.33 O ATOM 0 H TYR A 693 6.417 -1.792 -2.673 1.00 0.15 H new ATOM 0 HA TYR A 693 4.158 -2.385 -1.090 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.182 -0.197 -1.249 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.677 0.190 -0.439 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.874 -1.794 1.248 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.906 -1.001 0.119 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.663 -2.896 3.294 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.696 -2.112 2.160 1.00 0.96 H new ATOM 0 HH TYR A 693 8.128 -3.367 3.920 1.00 1.33 H new ATOM 1081 N THR A 694 3.753 -0.145 -3.459 1.00 0.19 N ATOM 1082 CA THR A 694 2.732 0.584 -4.189 1.00 0.22 C ATOM 1083 C THR A 694 1.797 -0.388 -4.896 1.00 0.20 C ATOM 1084 O THR A 694 0.592 -0.151 -4.977 1.00 0.21 O ATOM 1085 CB THR A 694 3.336 1.588 -5.196 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.384 0.967 -5.947 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.883 2.811 -4.473 1.00 0.31 C ATOM 0 H THR A 694 4.688 -0.098 -3.865 1.00 0.19 H new ATOM 0 HA THR A 694 2.163 1.165 -3.463 1.00 0.22 H new ATOM 0 HB THR A 694 2.545 1.905 -5.876 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.233 1.064 -5.466 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.304 3.506 -5.200 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.077 3.301 -3.927 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.660 2.503 -3.774 1.00 0.31 H new ATOM 1095 N GLN A 695 2.346 -1.509 -5.364 1.00 0.19 N ATOM 1096 CA GLN A 695 1.518 -2.570 -5.919 1.00 0.20 C ATOM 1097 C GLN A 695 0.628 -3.155 -4.831 1.00 0.17 C ATOM 1098 O GLN A 695 -0.565 -3.379 -5.041 1.00 0.18 O ATOM 1099 CB GLN A 695 2.375 -3.678 -6.530 1.00 0.25 C ATOM 1100 CG GLN A 695 3.125 -3.256 -7.781 1.00 0.85 C ATOM 1101 CD GLN A 695 3.935 -4.388 -8.384 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.472 -5.619 -8.211 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 4.971 -4.157 -9.003 1.00 2.13 N flip ATOM 0 H GLN A 695 3.348 -1.701 -5.369 1.00 0.19 H new ATOM 0 HA GLN A 695 0.901 -2.139 -6.707 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.094 -4.020 -5.785 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.736 -4.528 -6.771 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.413 -2.889 -8.521 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.790 -2.427 -7.539 1.00 0.85 H new ATOM 0 HE21 GLN A 695 5.295 -3.196 -9.115 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.507 -4.926 -9.405 1.00 2.13 H new ATOM 1112 N ALA A 696 1.216 -3.395 -3.663 1.00 0.16 N ATOM 1113 CA ALA A 696 0.479 -3.910 -2.523 1.00 0.16 C ATOM 1114 C ALA A 696 -0.628 -2.955 -2.113 1.00 0.16 C ATOM 1115 O ALA A 696 -1.735 -3.384 -1.800 1.00 0.16 O ATOM 1116 CB ALA A 696 1.411 -4.170 -1.351 1.00 0.18 C ATOM 0 H ALA A 696 2.208 -3.238 -3.485 1.00 0.16 H new ATOM 0 HA ALA A 696 0.024 -4.855 -2.821 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.837 -4.555 -0.508 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.165 -4.902 -1.641 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.900 -3.240 -1.062 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.342 -1.657 -2.130 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.337 -0.662 -1.771 1.00 0.17 C ATOM 1124 C ALA A 697 -2.416 -0.579 -2.837 1.00 0.16 C ATOM 1125 O ALA A 697 -3.590 -0.369 -2.531 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.682 0.694 -1.578 1.00 0.20 C ATOM 0 H ALA A 697 0.568 -1.274 -2.388 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.801 -0.962 -0.832 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.440 1.429 -1.309 1.00 0.20 H new ATOM 0 HB2 ALA A 697 0.060 0.630 -0.782 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.194 0.998 -2.504 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.010 -0.752 -4.089 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.951 -0.811 -5.190 1.00 0.20 C ATOM 1134 C GLU A 698 -3.904 -1.985 -4.978 1.00 0.18 C ATOM 1135 O GLU A 698 -5.122 -1.842 -5.092 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.198 -0.950 -6.517 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.100 -1.022 -7.738 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.318 -1.139 -9.029 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -1.925 -2.267 -9.393 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.090 -0.102 -9.687 1.00 1.40 O ATOM 0 H GLU A 698 -1.033 -0.854 -4.363 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.532 0.110 -5.226 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.521 -0.103 -6.628 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.582 -1.848 -6.480 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.768 -1.878 -7.643 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.727 -0.131 -7.776 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.341 -3.135 -4.617 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.134 -4.321 -4.330 1.00 0.18 C ATOM 1149 C ALA A 699 -4.935 -4.144 -3.043 1.00 0.15 C ATOM 1150 O ALA A 699 -5.977 -4.764 -2.862 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.237 -5.546 -4.230 1.00 0.21 C ATOM 0 H ALA A 699 -2.335 -3.268 -4.517 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.837 -4.466 -5.151 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.844 -6.425 -4.015 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.711 -5.690 -5.174 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.512 -5.401 -3.429 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.435 -3.297 -2.152 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.128 -2.996 -0.908 1.00 0.13 C ATOM 1159 C ALA A 700 -6.378 -2.180 -1.183 1.00 0.13 C ATOM 1160 O ALA A 700 -7.464 -2.530 -0.729 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.216 -2.260 0.059 1.00 0.14 C ATOM 0 H ALA A 700 -3.549 -2.805 -2.269 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.420 -3.939 -0.446 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.758 -2.047 0.980 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.348 -2.880 0.284 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.886 -1.324 -0.392 1.00 0.14 H new ATOM 1167 N MET A 701 -6.232 -1.107 -1.952 1.00 0.15 N ATOM 1168 CA MET A 701 -7.373 -0.272 -2.299 1.00 0.20 C ATOM 1169 C MET A 701 -8.295 -1.030 -3.251 1.00 0.23 C ATOM 1170 O MET A 701 -9.496 -0.771 -3.311 1.00 0.28 O ATOM 1171 CB MET A 701 -6.924 1.058 -2.921 1.00 0.27 C ATOM 1172 CG MET A 701 -6.305 0.934 -4.305 1.00 0.44 C ATOM 1173 SD MET A 701 -5.892 2.536 -5.021 1.00 0.74 S ATOM 1174 CE MET A 701 -5.256 2.038 -6.620 1.00 0.76 C ATOM 0 H MET A 701 -5.342 -0.798 -2.344 1.00 0.15 H new ATOM 0 HA MET A 701 -7.919 -0.036 -1.385 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.784 1.725 -2.981 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.201 1.529 -2.255 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.404 0.324 -4.243 1.00 0.44 H new ATOM 0 HG3 MET A 701 -6.999 0.413 -4.965 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.500 2.799 -7.361 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.174 1.922 -6.561 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.707 1.090 -6.912 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.716 -1.981 -3.978 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.483 -2.871 -4.834 1.00 0.31 C ATOM 1186 C GLU A 702 -9.351 -3.785 -3.976 1.00 0.29 C ATOM 1187 O GLU A 702 -10.508 -4.054 -4.295 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.532 -3.718 -5.681 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.173 -4.314 -6.918 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.516 -3.257 -7.942 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.646 -2.925 -8.772 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -9.655 -2.752 -7.925 1.00 2.58 O ATOM 0 H GLU A 702 -6.711 -2.153 -3.989 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.120 -2.277 -5.490 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -6.685 -3.102 -5.984 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.135 -4.525 -5.065 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.495 -5.043 -7.362 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.078 -4.851 -6.634 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.775 -4.240 -2.872 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.441 -5.171 -1.972 1.00 0.32 C ATOM 1201 C ALA A 703 -10.254 -4.446 -0.901 1.00 0.33 C ATOM 1202 O ALA A 703 -10.526 -5.008 0.160 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.411 -6.085 -1.326 1.00 0.39 C ATOM 0 H ALA A 703 -7.836 -3.975 -2.576 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.139 -5.766 -2.561 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -8.913 -6.780 -0.653 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -7.885 -6.644 -2.100 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.696 -5.486 -0.762 1.00 0.39 H new ATOM 1209 N MET A 704 -10.625 -3.196 -1.182 1.00 0.33 N ATOM 1210 CA MET A 704 -11.490 -2.409 -0.294 1.00 0.44 C ATOM 1211 C MET A 704 -10.810 -2.101 1.037 1.00 0.41 C ATOM 1212 O MET A 704 -11.467 -1.777 2.027 1.00 0.58 O ATOM 1213 CB MET A 704 -12.817 -3.140 -0.047 1.00 0.61 C ATOM 1214 CG MET A 704 -13.683 -3.266 -1.287 1.00 1.01 C ATOM 1215 SD MET A 704 -14.190 -1.665 -1.941 1.00 2.03 S ATOM 1216 CE MET A 704 -15.128 -1.019 -0.560 1.00 2.61 C ATOM 0 H MET A 704 -10.338 -2.700 -2.026 1.00 0.33 H new ATOM 0 HA MET A 704 -11.689 -1.462 -0.795 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.606 -4.136 0.341 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.376 -2.609 0.724 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.135 -3.811 -2.055 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.569 -3.855 -1.049 1.00 1.01 H new ATOM 0 HE1 MET A 704 -15.955 -0.414 -0.933 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.521 -1.846 0.031 1.00 2.61 H new ATOM 0 HE3 MET A 704 -14.480 -0.403 0.063 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.492 -2.186 1.049 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.716 -1.917 2.248 1.00 0.34 C ATOM 1228 C LYS A 705 -7.982 -0.589 2.099 1.00 0.31 C ATOM 1229 O LYS A 705 -6.751 -0.545 2.049 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.717 -3.052 2.496 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.360 -4.417 2.688 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.112 -4.508 4.007 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.674 -5.904 4.232 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.377 -6.017 5.535 1.00 1.59 N ATOM 0 H LYS A 705 -8.932 -2.441 0.235 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.389 -1.855 3.103 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.026 -3.103 1.654 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.125 -2.814 3.380 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.046 -4.614 1.864 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.591 -5.189 2.654 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.443 -4.247 4.827 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.925 -3.782 4.015 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.364 -6.152 3.425 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.864 -6.632 4.193 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -10.744 -6.983 5.649 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -9.713 -5.806 6.307 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.167 -5.341 5.563 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.754 0.490 2.017 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.188 1.814 1.812 1.00 0.47 C ATOM 1250 C GLY A 706 -7.185 2.207 2.880 1.00 0.42 C ATOM 1251 O GLY A 706 -6.185 2.869 2.588 1.00 0.40 O ATOM 0 H GLY A 706 -9.771 0.471 2.090 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.702 1.847 0.837 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.994 2.548 1.792 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.442 1.800 4.116 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.540 2.102 5.222 1.00 0.47 C ATOM 1257 C ARG A 707 -5.184 1.435 5.002 1.00 0.38 C ATOM 1258 O ARG A 707 -4.134 2.060 5.175 1.00 0.38 O ATOM 1259 CB ARG A 707 -7.151 1.642 6.544 1.00 0.60 C ATOM 1260 CG ARG A 707 -6.402 2.130 7.772 1.00 0.72 C ATOM 1261 CD ARG A 707 -7.178 1.820 9.039 1.00 1.28 C ATOM 1262 NE ARG A 707 -8.518 2.410 9.015 1.00 2.07 N ATOM 1263 CZ ARG A 707 -9.623 1.774 9.408 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -9.563 0.512 9.818 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -10.794 2.396 9.374 1.00 3.90 N ATOM 0 H ARG A 707 -8.267 1.260 4.379 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.391 3.181 5.264 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -8.182 1.991 6.597 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.182 0.553 6.559 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -5.421 1.657 7.817 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -6.234 3.204 7.697 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -7.259 0.740 9.160 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.630 2.198 9.902 1.00 1.28 H new ATOM 0 HE ARG A 707 -8.613 3.368 8.676 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -8.668 0.023 9.834 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -10.412 0.032 10.117 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -10.850 3.361 9.047 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -11.639 1.910 9.674 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.217 0.167 4.598 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.001 -0.575 4.286 1.00 0.30 C ATOM 1281 C LEU A 708 -3.260 0.103 3.144 1.00 0.23 C ATOM 1282 O LEU A 708 -2.037 0.241 3.176 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.325 -2.026 3.899 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.530 -3.016 5.055 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.249 -3.182 5.855 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.670 -2.581 5.963 1.00 1.02 C ATOM 0 H LEU A 708 -6.077 -0.368 4.479 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.372 -0.586 5.176 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.228 -2.022 3.289 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.517 -2.399 3.270 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.796 -3.979 4.620 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.417 -3.887 6.669 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.460 -3.560 5.204 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.950 -2.218 6.267 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.788 -3.304 6.770 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.446 -1.600 6.383 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.594 -2.527 5.387 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.024 0.525 2.141 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.474 1.237 0.997 1.00 0.18 C ATOM 1300 C ALA A 709 -2.727 2.484 1.447 1.00 0.19 C ATOM 1301 O ALA A 709 -1.552 2.660 1.123 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.577 1.597 0.014 1.00 0.21 C ATOM 0 H ALA A 709 -5.033 0.384 2.100 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.765 0.580 0.493 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.148 2.129 -0.835 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.064 0.687 -0.336 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.311 2.234 0.508 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.406 3.332 2.215 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.799 4.557 2.728 1.00 0.29 C ATOM 1310 C ASN A 710 -1.508 4.246 3.481 1.00 0.25 C ATOM 1311 O ASN A 710 -0.474 4.870 3.232 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.780 5.302 3.643 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.209 6.595 4.210 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -2.345 7.263 3.456 1.00 1.60 O flip ATOM 1315 ND2 ASN A 710 -3.556 6.999 5.319 1.00 1.45 N flip ATOM 0 H ASN A 710 -4.377 3.193 2.496 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.558 5.197 1.879 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.688 5.528 3.084 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -4.067 4.648 4.466 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -4.222 6.460 5.872 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.177 7.873 5.685 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.567 3.271 4.384 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.391 2.864 5.148 1.00 0.26 C ATOM 1324 C GLN A 711 0.753 2.430 4.232 1.00 0.22 C ATOM 1325 O GLN A 711 1.864 2.942 4.335 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.743 1.729 6.112 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.679 2.144 7.238 1.00 1.24 C ATOM 1328 CD GLN A 711 -2.045 0.988 8.155 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -2.070 -0.225 7.618 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 -2.299 1.187 9.342 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.415 2.749 4.604 1.00 0.25 H new ATOM 0 HA GLN A 711 -0.058 3.731 5.719 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.205 0.918 5.549 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.177 1.334 6.544 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -1.207 2.932 7.825 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.589 2.566 6.811 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -2.269 2.135 9.718 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -2.539 0.404 9.950 1.00 1.09 H new ATOM 1339 N TYR A 712 0.483 1.482 3.343 1.00 0.20 N ATOM 1340 CA TYR A 712 1.516 0.987 2.435 1.00 0.20 C ATOM 1341 C TYR A 712 2.033 2.078 1.492 1.00 0.20 C ATOM 1342 O TYR A 712 3.182 2.021 1.054 1.00 0.21 O ATOM 1343 CB TYR A 712 1.039 -0.236 1.648 1.00 0.22 C ATOM 1344 CG TYR A 712 0.844 -1.465 2.513 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.711 -1.750 3.564 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.203 -2.340 2.275 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.534 -2.871 4.350 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.387 -3.463 3.058 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.483 -3.724 4.095 1.00 0.36 C ATOM 1350 OH TYR A 712 0.304 -4.844 4.876 1.00 0.44 O ATOM 0 H TYR A 712 -0.431 1.043 3.230 1.00 0.20 H new ATOM 0 HA TYR A 712 2.353 0.677 3.060 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.099 0.004 1.152 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.764 -0.462 0.866 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.536 -1.083 3.768 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.887 -2.141 1.463 1.00 0.33 H new ATOM 0 HE1 TYR A 712 2.216 -3.078 5.161 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.209 -4.134 2.859 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.483 -5.338 4.564 1.00 0.44 H new ATOM 1360 N TYR A 713 1.212 3.081 1.191 1.00 0.21 N ATOM 1361 CA TYR A 713 1.697 4.231 0.428 1.00 0.25 C ATOM 1362 C TYR A 713 2.625 5.078 1.294 1.00 0.23 C ATOM 1363 O TYR A 713 3.671 5.541 0.832 1.00 0.25 O ATOM 1364 CB TYR A 713 0.543 5.084 -0.120 1.00 0.32 C ATOM 1365 CG TYR A 713 -0.082 4.516 -1.375 1.00 0.73 C ATOM 1366 CD1 TYR A 713 -1.436 4.215 -1.435 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.693 4.273 -2.501 1.00 0.96 C ATOM 1368 CE1 TYR A 713 -2.000 3.685 -2.580 1.00 2.50 C ATOM 1369 CE2 TYR A 713 0.136 3.747 -3.651 1.00 1.50 C ATOM 1370 CZ TYR A 713 -1.208 3.455 -3.685 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.759 2.920 -4.824 1.00 2.95 O ATOM 0 H TYR A 713 0.228 3.124 1.456 1.00 0.21 H new ATOM 0 HA TYR A 713 2.253 3.851 -0.429 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.225 5.179 0.648 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.911 6.088 -0.329 1.00 0.32 H new ATOM 0 HD1 TYR A 713 -2.059 4.398 -0.572 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.749 4.499 -2.478 1.00 0.96 H new ATOM 0 HE1 TYR A 713 -3.054 3.452 -2.609 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.753 3.566 -4.519 1.00 1.50 H new ATOM 0 HH TYR A 713 -1.891 3.629 -5.488 1.00 2.95 H new ATOM 1381 N GLN A 714 2.249 5.248 2.561 1.00 0.24 N ATOM 1382 CA GLN A 714 3.088 5.946 3.530 1.00 0.28 C ATOM 1383 C GLN A 714 4.378 5.156 3.756 1.00 0.23 C ATOM 1384 O GLN A 714 5.427 5.710 4.104 1.00 0.26 O ATOM 1385 CB GLN A 714 2.328 6.109 4.853 1.00 0.36 C ATOM 1386 CG GLN A 714 3.086 6.890 5.916 1.00 0.65 C ATOM 1387 CD GLN A 714 3.204 8.368 5.595 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.317 8.956 4.977 1.00 1.94 O ATOM 1389 NE2 GLN A 714 4.305 8.978 6.007 1.00 1.98 N ATOM 0 H GLN A 714 1.365 4.910 2.940 1.00 0.24 H new ATOM 0 HA GLN A 714 3.340 6.934 3.145 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.381 6.611 4.655 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.089 5.121 5.246 1.00 0.36 H new ATOM 0 HG2 GLN A 714 2.581 6.771 6.875 1.00 0.65 H new ATOM 0 HG3 GLN A 714 4.085 6.467 6.027 1.00 0.65 H new ATOM 0 HE21 GLN A 714 5.017 8.455 6.517 1.00 1.98 H new ATOM 0 HE22 GLN A 714 4.441 9.970 5.815 1.00 1.98 H new ATOM 1398 N LYS A 715 4.298 3.858 3.505 1.00 0.21 N ATOM 1399 CA LYS A 715 5.427 2.969 3.708 1.00 0.22 C ATOM 1400 C LYS A 715 6.332 3.035 2.482 1.00 0.20 C ATOM 1401 O LYS A 715 7.556 2.986 2.593 1.00 0.23 O ATOM 1402 CB LYS A 715 4.945 1.529 3.950 1.00 0.27 C ATOM 1403 CG LYS A 715 5.807 0.736 4.928 1.00 0.61 C ATOM 1404 CD LYS A 715 7.221 0.505 4.413 1.00 0.86 C ATOM 1405 CE LYS A 715 8.112 -0.098 5.491 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.557 -1.368 6.035 1.00 1.67 N ATOM 0 H LYS A 715 3.457 3.397 3.158 1.00 0.21 H new ATOM 0 HA LYS A 715 5.985 3.284 4.590 1.00 0.22 H new ATOM 0 HB2 LYS A 715 3.922 1.559 4.326 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.919 1.002 2.996 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.853 1.268 5.878 1.00 0.61 H new ATOM 0 HG3 LYS A 715 5.335 -0.227 5.124 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.192 -0.159 3.549 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.646 1.450 4.074 1.00 0.86 H new ATOM 0 HE2 LYS A 715 9.103 -0.284 5.078 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.234 0.620 6.302 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.309 -1.894 6.524 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.792 -1.153 6.706 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.182 -1.945 5.255 1.00 1.67 H new ATOM 1420 N ALA A 716 5.713 3.149 1.310 1.00 0.17 N ATOM 1421 CA ALA A 716 6.446 3.356 0.071 1.00 0.18 C ATOM 1422 C ALA A 716 7.211 4.670 0.130 1.00 0.21 C ATOM 1423 O ALA A 716 8.382 4.739 -0.266 1.00 0.25 O ATOM 1424 CB ALA A 716 5.493 3.341 -1.117 1.00 0.21 C ATOM 0 H ALA A 716 4.701 3.101 1.196 1.00 0.17 H new ATOM 0 HA ALA A 716 7.162 2.544 -0.055 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.056 3.497 -2.037 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.983 2.379 -1.162 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.757 4.137 -1.003 1.00 0.21 H new ATOM 1430 N GLU A 717 6.547 5.711 0.636 1.00 0.24 N ATOM 1431 CA GLU A 717 7.199 6.992 0.852 1.00 0.32 C ATOM 1432 C GLU A 717 8.383 6.818 1.793 1.00 0.31 C ATOM 1433 O GLU A 717 9.478 7.280 1.502 1.00 0.33 O ATOM 1434 CB GLU A 717 6.219 8.018 1.426 1.00 0.45 C ATOM 1435 CG GLU A 717 6.860 9.366 1.716 1.00 1.26 C ATOM 1436 CD GLU A 717 5.900 10.343 2.359 1.00 1.60 C ATOM 1437 OE1 GLU A 717 5.596 10.186 3.561 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.444 11.274 1.663 1.00 2.04 O ATOM 0 H GLU A 717 5.562 5.687 0.901 1.00 0.24 H new ATOM 0 HA GLU A 717 7.553 7.362 -0.110 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.397 8.158 0.723 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.788 7.623 2.346 1.00 0.45 H new ATOM 0 HG2 GLU A 717 7.719 9.222 2.372 1.00 1.26 H new ATOM 0 HG3 GLU A 717 7.237 9.792 0.786 1.00 1.26 H new ATOM 1445 N GLU A 718 8.149 6.131 2.912 1.00 0.31 N ATOM 1446 CA GLU A 718 9.211 5.828 3.871 1.00 0.36 C ATOM 1447 C GLU A 718 10.386 5.136 3.177 1.00 0.33 C ATOM 1448 O GLU A 718 11.547 5.503 3.377 1.00 0.36 O ATOM 1449 CB GLU A 718 8.663 4.932 4.984 1.00 0.43 C ATOM 1450 CG GLU A 718 9.676 4.591 6.067 1.00 1.06 C ATOM 1451 CD GLU A 718 10.045 5.785 6.921 1.00 1.46 C ATOM 1452 OE1 GLU A 718 11.008 6.497 6.577 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.367 6.015 7.947 1.00 2.20 O ATOM 0 H GLU A 718 7.231 5.773 3.176 1.00 0.31 H new ATOM 0 HA GLU A 718 9.567 6.764 4.301 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.808 5.426 5.445 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.295 4.006 4.542 1.00 0.43 H new ATOM 0 HG2 GLU A 718 9.269 3.806 6.704 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.577 4.190 5.602 1.00 1.06 H new ATOM 1460 N ALA A 719 10.070 4.142 2.353 1.00 0.28 N ATOM 1461 CA ALA A 719 11.082 3.390 1.622 1.00 0.29 C ATOM 1462 C ALA A 719 11.973 4.313 0.795 1.00 0.30 C ATOM 1463 O ALA A 719 13.198 4.294 0.935 1.00 0.37 O ATOM 1464 CB ALA A 719 10.426 2.347 0.729 1.00 0.28 C ATOM 0 H ALA A 719 9.113 3.837 2.174 1.00 0.28 H new ATOM 0 HA ALA A 719 11.713 2.883 2.352 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.195 1.794 0.190 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.845 1.657 1.341 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.767 2.842 0.015 1.00 0.28 H new ATOM 1470 N TRP A 720 11.356 5.125 -0.055 1.00 0.26 N ATOM 1471 CA TRP A 720 12.115 6.027 -0.922 1.00 0.28 C ATOM 1472 C TRP A 720 12.712 7.204 -0.145 1.00 0.33 C ATOM 1473 O TRP A 720 13.701 7.799 -0.575 1.00 0.36 O ATOM 1474 CB TRP A 720 11.251 6.535 -2.081 1.00 0.29 C ATOM 1475 CG TRP A 720 10.861 5.457 -3.051 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.655 4.445 -3.517 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.587 5.290 -3.691 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.951 3.656 -4.393 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.683 4.156 -4.520 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.375 5.988 -3.643 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.616 3.703 -5.291 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.317 5.539 -4.410 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.443 4.406 -5.224 1.00 0.45 C ATOM 0 H TRP A 720 10.343 5.180 -0.165 1.00 0.26 H new ATOM 0 HA TRP A 720 12.943 5.449 -1.332 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.349 6.994 -1.678 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.794 7.315 -2.615 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.686 4.289 -3.236 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.314 2.831 -4.871 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.269 6.862 -3.018 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.710 2.829 -5.919 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.377 6.070 -4.381 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.597 4.080 -5.811 1.00 0.45 H new ATOM 1494 N ALA A 721 12.107 7.549 0.984 1.00 0.39 N ATOM 1495 CA ALA A 721 12.629 8.614 1.831 1.00 0.49 C ATOM 1496 C ALA A 721 13.894 8.172 2.555 1.00 0.57 C ATOM 1497 O ALA A 721 14.819 8.963 2.751 1.00 0.64 O ATOM 1498 CB ALA A 721 11.578 9.065 2.834 1.00 0.58 C ATOM 0 H ALA A 721 11.256 7.108 1.334 1.00 0.39 H new ATOM 0 HA ALA A 721 12.883 9.456 1.187 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.987 9.860 3.457 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.702 9.435 2.301 1.00 0.58 H new ATOM 0 HB3 ALA A 721 11.291 8.223 3.463 1.00 0.58 H new ATOM 1504 N GLN A 722 13.934 6.909 2.959 1.00 0.64 N ATOM 1505 CA GLN A 722 15.091 6.387 3.666 1.00 0.84 C ATOM 1506 C GLN A 722 16.182 5.970 2.689 1.00 0.87 C ATOM 1507 O GLN A 722 17.312 6.455 2.770 1.00 1.25 O ATOM 1508 CB GLN A 722 14.707 5.192 4.540 1.00 1.18 C ATOM 1509 CG GLN A 722 15.845 4.719 5.430 1.00 1.44 C ATOM 1510 CD GLN A 722 15.564 3.392 6.114 1.00 1.91 C ATOM 1511 OE1 GLN A 722 16.050 3.138 7.216 1.00 2.38 O ATOM 1512 NE2 GLN A 722 14.788 2.535 5.470 1.00 2.33 N ATOM 0 H GLN A 722 13.184 6.234 2.810 1.00 0.64 H new ATOM 0 HA GLN A 722 15.470 7.185 4.304 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.854 5.463 5.163 1.00 1.18 H new ATOM 0 HB3 GLN A 722 14.386 4.369 3.901 1.00 1.18 H new ATOM 0 HG2 GLN A 722 16.751 4.626 4.831 1.00 1.44 H new ATOM 0 HG3 GLN A 722 16.042 5.476 6.189 1.00 1.44 H new ATOM 0 HE21 GLN A 722 14.403 2.781 4.558 1.00 2.33 H new ATOM 0 HE22 GLN A 722 14.575 1.628 5.886 1.00 2.33 H new ATOM 1521 N MET A 723 15.819 5.084 1.761 1.00 0.99 N ATOM 1522 CA MET A 723 16.764 4.493 0.811 1.00 1.31 C ATOM 1523 C MET A 723 17.846 3.692 1.531 1.00 1.98 C ATOM 1524 O MET A 723 17.714 2.483 1.717 1.00 2.42 O ATOM 1525 CB MET A 723 17.403 5.561 -0.083 1.00 1.25 C ATOM 1526 CG MET A 723 16.450 6.160 -1.103 1.00 0.96 C ATOM 1527 SD MET A 723 17.186 7.532 -2.013 1.00 1.60 S ATOM 1528 CE MET A 723 17.389 8.731 -0.697 1.00 2.19 C ATOM 0 H MET A 723 14.860 4.755 1.646 1.00 0.99 H new ATOM 0 HA MET A 723 16.196 3.812 0.177 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.796 6.360 0.546 1.00 1.25 H new ATOM 0 HB3 MET A 723 18.252 5.122 -0.607 1.00 1.25 H new ATOM 0 HG2 MET A 723 16.142 5.386 -1.806 1.00 0.96 H new ATOM 0 HG3 MET A 723 15.550 6.506 -0.595 1.00 0.96 H new ATOM 0 HE1 MET A 723 17.454 9.732 -1.124 1.00 2.19 H new ATOM 0 HE2 MET A 723 16.534 8.679 -0.023 1.00 2.19 H new ATOM 0 HE3 MET A 723 18.302 8.512 -0.143 1.00 2.19 H new ATOM 1538 N GLU A 724 18.900 4.374 1.950 1.00 2.33 N ATOM 1539 CA GLU A 724 20.015 3.730 2.622 1.00 3.03 C ATOM 1540 C GLU A 724 19.587 3.171 3.978 1.00 3.35 C ATOM 1541 O GLU A 724 19.048 3.890 4.821 1.00 3.82 O ATOM 1542 CB GLU A 724 21.171 4.722 2.780 1.00 3.31 C ATOM 1543 CG GLU A 724 20.757 6.048 3.396 1.00 3.60 C ATOM 1544 CD GLU A 724 21.868 7.070 3.367 1.00 4.24 C ATOM 1545 OE1 GLU A 724 22.063 7.715 2.316 1.00 4.88 O ATOM 1546 OE2 GLU A 724 22.556 7.234 4.395 1.00 4.47 O ATOM 0 H GLU A 724 19.006 5.382 1.835 1.00 2.33 H new ATOM 0 HA GLU A 724 20.353 2.892 2.012 1.00 3.03 H new ATOM 0 HB2 GLU A 724 21.945 4.269 3.400 1.00 3.31 H new ATOM 0 HB3 GLU A 724 21.615 4.908 1.802 1.00 3.31 H new ATOM 0 HG2 GLU A 724 19.893 6.440 2.860 1.00 3.60 H new ATOM 0 HG3 GLU A 724 20.445 5.884 4.427 1.00 3.60 H new ATOM 1553 N GLU A 725 19.807 1.881 4.165 1.00 3.48 N ATOM 1554 CA GLU A 725 19.442 1.204 5.395 1.00 4.01 C ATOM 1555 C GLU A 725 20.380 0.026 5.619 1.00 4.63 C ATOM 1556 O GLU A 725 21.294 0.141 6.457 1.00 5.05 O ATOM 1557 CB GLU A 725 17.990 0.715 5.333 1.00 4.09 C ATOM 1558 CG GLU A 725 17.485 0.137 6.647 1.00 4.80 C ATOM 1559 CD GLU A 725 16.140 -0.549 6.506 1.00 5.11 C ATOM 1560 OE1 GLU A 725 15.110 0.130 6.702 1.00 5.31 O ATOM 1561 OE2 GLU A 725 16.106 -1.758 6.196 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.216 -1.003 4.925 1.00 5.02 O ATOM 0 H GLU A 725 20.243 1.276 3.469 1.00 3.48 H new ATOM 0 HA GLU A 725 19.531 1.905 6.225 1.00 4.01 H new ATOM 0 HB2 GLU A 725 17.348 1.546 5.041 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.904 -0.044 4.555 1.00 4.09 H new ATOM 0 HG2 GLU A 725 18.214 -0.577 7.029 1.00 4.80 H new ATOM 0 HG3 GLU A 725 17.405 0.936 7.384 1.00 4.80 H new TER 1569 GLU A 725