USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=29 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 642 ASN : amide:sc= 0.468 X(o=0.91,f=0.82) USER MOD Set 1.2: A 713 TYR OH : rot 180:sc= 0.439 USER MOD Set 2.1: A 659 MET CE :methyl -164:sc= -0.136 (180deg=0) USER MOD Set 2.2: A 665 TYR OH : rot -140:sc= -0.0237 USER MOD Set 2.3: A 666 MET CE :methyl -163:sc= 0 (180deg=-0.411) USER MOD Set 3.1: A 641 TYR OH : rot 180:sc= -0.107 USER MOD Set 3.2: A 714 GLN : amide:sc= -3.15! C(o=-3.3!,f=-3!) USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 625 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 626 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 627 SER OG : rot -29:sc= 0.371 USER MOD Single : A 631 CYS SG : rot 180:sc= -0.0209 USER MOD Single : A 632 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 643 THR OG1 : rot -102:sc= 1.27 USER MOD Single : A 647 MET CE :methyl -172:sc= 0 (180deg=-0.0557) USER MOD Single : A 648 THR OG1 : rot 180:sc= 0 USER MOD Single : A 650 CYS SG : rot 180:sc= 0 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 667 MET CE :methyl 174:sc= -0.41 (180deg=-0.679) USER MOD Single : A 674 MET CE :methyl 173:sc= -0.675 (180deg=-0.723) USER MOD Single : A 677 THR OG1 : rot 180:sc=0.000531 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -162:sc= 2.41 (180deg=2.36) USER MOD Single : A 687 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.16) USER MOD Single : A 689 SER OG : rot 57:sc= -0.667 USER MOD Single : A 693 TYR OH : rot 30:sc= 0 USER MOD Single : A 694 THR OG1 : rot -78:sc= 1.13 USER MOD Single : A 695 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.81) USER MOD Single : A 701 MET CE :methyl 139:sc= -0.221 (180deg=-2.75!) USER MOD Single : A 704 MET CE :methyl -150:sc= 0 (180deg=-0.554) USER MOD Single : A 705 LYS NZ :NH3+ 169:sc= 1.72 (180deg=1.12) USER MOD Single : A 710 ASN : amide:sc= 0.817 X(o=0.82,f=0.7) USER MOD Single : A 711 GLN : amide:sc= -0.33 K(o=-0.33,f=-4.1!) USER MOD Single : A 712 TYR OH : rot 165:sc= 0 USER MOD Single : A 715 LYS NZ :NH3+ 149:sc= 0.0685 (180deg=-0.255!) USER MOD Single : A 722 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 723 MET CE :methyl -141:sc= -0.117 (180deg=-1.25) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -15.661 -8.847 13.698 1.00 15.53 N ATOM 2 CA GLY A 623 -15.540 -7.371 13.786 1.00 15.09 C ATOM 3 C GLY A 623 -16.337 -6.671 12.707 1.00 14.39 C ATOM 4 O GLY A 623 -17.305 -7.226 12.185 1.00 14.22 O ATOM 0 HA2 GLY A 623 -15.884 -7.037 14.765 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -14.491 -7.088 13.703 1.00 15.09 H new ATOM 10 N SER A 624 -15.928 -5.458 12.364 1.00 14.14 N ATOM 11 CA SER A 624 -16.634 -4.662 11.374 1.00 13.65 C ATOM 12 C SER A 624 -16.256 -5.082 9.954 1.00 12.93 C ATOM 13 O SER A 624 -15.294 -4.570 9.376 1.00 12.90 O ATOM 14 CB SER A 624 -16.330 -3.176 11.584 1.00 13.94 C ATOM 15 OG SER A 624 -16.635 -2.775 12.912 1.00 14.35 O ATOM 0 H SER A 624 -15.106 -5.003 12.760 1.00 14.14 H new ATOM 0 HA SER A 624 -17.703 -4.832 11.501 1.00 13.65 H new ATOM 0 HB2 SER A 624 -15.278 -2.984 11.375 1.00 13.94 H new ATOM 0 HB3 SER A 624 -16.909 -2.580 10.879 1.00 13.94 H new ATOM 0 HG SER A 624 -16.431 -1.823 13.021 1.00 14.35 H new ATOM 21 N HIS A 625 -17.014 -6.022 9.404 1.00 12.51 N ATOM 22 CA HIS A 625 -16.815 -6.455 8.026 1.00 11.96 C ATOM 23 C HIS A 625 -17.402 -5.421 7.075 1.00 11.32 C ATOM 24 O HIS A 625 -18.575 -5.487 6.715 1.00 11.18 O ATOM 25 CB HIS A 625 -17.477 -7.814 7.772 1.00 11.96 C ATOM 26 CG HIS A 625 -16.876 -8.954 8.535 1.00 12.45 C ATOM 27 ND1 HIS A 625 -17.522 -9.590 9.574 1.00 12.80 N ATOM 28 CD2 HIS A 625 -15.694 -9.598 8.383 1.00 12.83 C ATOM 29 CE1 HIS A 625 -16.766 -10.573 10.024 1.00 13.34 C ATOM 30 NE2 HIS A 625 -15.654 -10.601 9.320 1.00 13.37 N ATOM 0 H HIS A 625 -17.773 -6.500 9.891 1.00 12.51 H new ATOM 0 HA HIS A 625 -15.744 -6.556 7.852 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -18.534 -7.741 8.027 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -17.420 -8.037 6.707 1.00 11.96 H new ATOM 0 HD2 HIS A 625 -14.926 -9.366 7.660 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -17.017 -11.242 10.834 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -14.887 -11.261 9.450 1.00 13.37 H new ATOM 39 N MET A 626 -16.589 -4.457 6.682 1.00 11.11 N ATOM 40 CA MET A 626 -17.062 -3.370 5.842 1.00 10.60 C ATOM 41 C MET A 626 -16.007 -2.962 4.825 1.00 9.72 C ATOM 42 O MET A 626 -14.811 -2.994 5.110 1.00 9.78 O ATOM 43 CB MET A 626 -17.441 -2.162 6.702 1.00 11.28 C ATOM 44 CG MET A 626 -16.296 -1.643 7.561 1.00 11.91 C ATOM 45 SD MET A 626 -16.728 -0.150 8.475 1.00 12.79 S ATOM 46 CE MET A 626 -15.165 0.225 9.267 1.00 13.30 C ATOM 0 H MET A 626 -15.601 -4.404 6.930 1.00 11.11 H new ATOM 0 HA MET A 626 -17.942 -3.723 5.304 1.00 10.60 H new ATOM 0 HB2 MET A 626 -17.790 -1.359 6.053 1.00 11.28 H new ATOM 0 HB3 MET A 626 -18.275 -2.434 7.349 1.00 11.28 H new ATOM 0 HG2 MET A 626 -15.995 -2.419 8.264 1.00 11.91 H new ATOM 0 HG3 MET A 626 -15.435 -1.438 6.925 1.00 11.91 H new ATOM 0 HE1 MET A 626 -15.270 1.126 9.871 1.00 13.30 H new ATOM 0 HE2 MET A 626 -14.872 -0.608 9.906 1.00 13.30 H new ATOM 0 HE3 MET A 626 -14.401 0.385 8.506 1.00 13.30 H new ATOM 56 N SER A 627 -16.461 -2.591 3.641 1.00 9.08 N ATOM 57 CA SER A 627 -15.579 -2.075 2.614 1.00 8.35 C ATOM 58 C SER A 627 -16.141 -0.772 2.056 1.00 7.32 C ATOM 59 O SER A 627 -17.327 -0.695 1.724 1.00 7.21 O ATOM 60 CB SER A 627 -15.389 -3.112 1.496 1.00 8.70 C ATOM 61 OG SER A 627 -16.631 -3.562 0.978 1.00 9.26 O ATOM 0 H SER A 627 -17.443 -2.639 3.368 1.00 9.08 H new ATOM 0 HA SER A 627 -14.602 -1.873 3.054 1.00 8.35 H new ATOM 0 HB2 SER A 627 -14.797 -2.675 0.692 1.00 8.70 H new ATOM 0 HB3 SER A 627 -14.826 -3.962 1.881 1.00 8.70 H new ATOM 0 HG SER A 627 -17.315 -3.511 1.678 1.00 9.26 H new ATOM 67 N PRO A 628 -15.312 0.281 1.987 1.00 6.76 N ATOM 68 CA PRO A 628 -15.715 1.577 1.434 1.00 5.93 C ATOM 69 C PRO A 628 -15.852 1.541 -0.089 1.00 5.48 C ATOM 70 O PRO A 628 -15.185 2.286 -0.809 1.00 5.24 O ATOM 71 CB PRO A 628 -14.577 2.509 1.856 1.00 5.90 C ATOM 72 CG PRO A 628 -13.391 1.621 2.001 1.00 6.58 C ATOM 73 CD PRO A 628 -13.918 0.292 2.467 1.00 7.14 C ATOM 0 HA PRO A 628 -16.694 1.892 1.795 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -14.402 3.283 1.109 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -14.808 3.016 2.793 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -12.862 1.520 1.053 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -12.682 2.032 2.719 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -13.344 -0.535 2.049 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -13.867 0.199 3.552 1.00 7.14 H new ATOM 81 N ASP A 629 -16.724 0.668 -0.570 1.00 5.68 N ATOM 82 CA ASP A 629 -16.949 0.509 -2.003 1.00 5.52 C ATOM 83 C ASP A 629 -17.751 1.681 -2.554 1.00 4.87 C ATOM 84 O ASP A 629 -17.446 2.206 -3.624 1.00 4.76 O ATOM 85 CB ASP A 629 -17.675 -0.807 -2.287 1.00 6.23 C ATOM 86 CG ASP A 629 -17.907 -1.032 -3.767 1.00 6.68 C ATOM 87 OD1 ASP A 629 -18.976 -0.624 -4.271 1.00 7.07 O ATOM 88 OD2 ASP A 629 -17.022 -1.612 -4.432 1.00 6.91 O ATOM 0 H ASP A 629 -17.292 0.054 0.014 1.00 5.68 H new ATOM 0 HA ASP A 629 -15.979 0.488 -2.501 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -17.092 -1.635 -1.884 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -18.633 -0.809 -1.767 1.00 6.23 H new ATOM 93 N ARG A 630 -18.757 2.113 -1.800 1.00 4.79 N ATOM 94 CA ARG A 630 -19.579 3.258 -2.191 1.00 4.57 C ATOM 95 C ARG A 630 -18.890 4.560 -1.798 1.00 4.10 C ATOM 96 O ARG A 630 -19.526 5.602 -1.629 1.00 4.34 O ATOM 97 CB ARG A 630 -20.961 3.169 -1.540 1.00 5.38 C ATOM 98 CG ARG A 630 -21.726 1.912 -1.920 1.00 5.89 C ATOM 99 CD ARG A 630 -23.119 1.890 -1.313 1.00 6.81 C ATOM 100 NE ARG A 630 -23.094 1.914 0.150 1.00 7.37 N ATOM 101 CZ ARG A 630 -23.900 1.182 0.924 1.00 8.27 C ATOM 102 NH1 ARG A 630 -24.782 0.349 0.379 1.00 8.70 N ATOM 103 NH2 ARG A 630 -23.823 1.290 2.246 1.00 8.95 N ATOM 0 H ARG A 630 -19.025 1.688 -0.912 1.00 4.79 H new ATOM 0 HA ARG A 630 -19.705 3.243 -3.274 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -20.847 3.203 -0.456 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -21.547 4.043 -1.826 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -21.802 1.848 -3.005 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -21.171 1.035 -1.587 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -23.684 2.748 -1.677 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -23.644 0.996 -1.649 1.00 6.81 H new ATOM 0 HE ARG A 630 -22.419 2.528 0.607 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -24.846 0.266 -0.636 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -25.394 -0.207 0.976 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -23.150 1.930 2.667 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -24.437 0.733 2.840 1.00 8.95 H new ATOM 117 N CYS A 631 -17.579 4.481 -1.659 1.00 3.77 N ATOM 118 CA CYS A 631 -16.761 5.611 -1.280 1.00 3.49 C ATOM 119 C CYS A 631 -15.574 5.697 -2.229 1.00 3.17 C ATOM 120 O CYS A 631 -14.892 4.701 -2.460 1.00 3.32 O ATOM 121 CB CYS A 631 -16.283 5.437 0.163 1.00 3.72 C ATOM 122 SG CYS A 631 -17.619 5.158 1.348 1.00 4.38 S ATOM 0 H CYS A 631 -17.051 3.621 -1.808 1.00 3.77 H new ATOM 0 HA CYS A 631 -17.339 6.533 -1.343 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -15.590 4.597 0.207 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -15.726 6.325 0.461 1.00 3.72 H new ATOM 0 HG CYS A 631 -17.120 5.020 2.540 1.00 4.38 H new ATOM 128 N GLN A 632 -15.352 6.864 -2.810 1.00 3.10 N ATOM 129 CA GLN A 632 -14.257 7.030 -3.757 1.00 3.01 C ATOM 130 C GLN A 632 -13.316 8.155 -3.336 1.00 2.97 C ATOM 131 O GLN A 632 -12.258 8.345 -3.934 1.00 2.93 O ATOM 132 CB GLN A 632 -14.804 7.300 -5.160 1.00 3.40 C ATOM 133 CG GLN A 632 -15.603 6.141 -5.739 1.00 3.70 C ATOM 134 CD GLN A 632 -16.179 6.455 -7.105 1.00 4.22 C ATOM 135 OE1 GLN A 632 -17.305 6.941 -7.220 1.00 4.67 O ATOM 136 NE2 GLN A 632 -15.411 6.184 -8.148 1.00 4.57 N ATOM 0 H GLN A 632 -15.908 7.704 -2.647 1.00 3.10 H new ATOM 0 HA GLN A 632 -13.686 6.102 -3.767 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -15.437 8.187 -5.129 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -13.972 7.526 -5.827 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -14.961 5.263 -5.813 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -16.414 5.887 -5.057 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -14.484 5.782 -8.008 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -15.746 6.378 -9.092 1.00 4.57 H new ATOM 145 N ASP A 633 -13.683 8.881 -2.288 1.00 3.23 N ATOM 146 CA ASP A 633 -12.897 10.033 -1.858 1.00 3.48 C ATOM 147 C ASP A 633 -11.604 9.596 -1.183 1.00 3.00 C ATOM 148 O ASP A 633 -10.621 10.335 -1.174 1.00 3.13 O ATOM 149 CB ASP A 633 -13.700 10.928 -0.910 1.00 4.11 C ATOM 150 CG ASP A 633 -14.941 11.505 -1.559 1.00 4.69 C ATOM 151 OD1 ASP A 633 -16.054 11.019 -1.268 1.00 5.22 O ATOM 152 OD2 ASP A 633 -14.811 12.450 -2.365 1.00 4.94 O ATOM 0 H ASP A 633 -14.512 8.696 -1.723 1.00 3.23 H new ATOM 0 HA ASP A 633 -12.648 10.605 -2.752 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -13.989 10.352 -0.031 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -13.065 11.743 -0.562 1.00 4.11 H new ATOM 157 N TRP A 634 -11.594 8.387 -0.633 1.00 2.60 N ATOM 158 CA TRP A 634 -10.418 7.889 0.066 1.00 2.30 C ATOM 159 C TRP A 634 -9.310 7.525 -0.918 1.00 1.84 C ATOM 160 O TRP A 634 -8.136 7.508 -0.554 1.00 1.69 O ATOM 161 CB TRP A 634 -10.758 6.701 0.982 1.00 2.47 C ATOM 162 CG TRP A 634 -11.378 5.521 0.292 1.00 2.40 C ATOM 163 CD1 TRP A 634 -12.701 5.340 0.009 1.00 2.72 C ATOM 164 CD2 TRP A 634 -10.706 4.342 -0.172 1.00 2.37 C ATOM 165 NE1 TRP A 634 -12.890 4.133 -0.613 1.00 2.82 N ATOM 166 CE2 TRP A 634 -11.684 3.501 -0.735 1.00 2.72 C ATOM 167 CE3 TRP A 634 -9.374 3.916 -0.173 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -11.376 2.263 -1.290 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -9.070 2.687 -0.725 1.00 2.88 C ATOM 170 CH2 TRP A 634 -10.067 1.874 -1.277 1.00 3.28 C ATOM 0 H TRP A 634 -12.381 7.739 -0.658 1.00 2.60 H new ATOM 0 HA TRP A 634 -10.054 8.694 0.704 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -9.845 6.373 1.479 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -11.439 7.046 1.760 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -13.485 6.045 0.241 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -13.786 3.766 -0.933 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -8.598 4.536 0.250 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -12.143 1.633 -1.715 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -8.045 2.347 -0.731 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -9.795 0.919 -1.702 1.00 3.28 H new ATOM 181 N LEU A 635 -9.678 7.257 -2.168 1.00 1.89 N ATOM 182 CA LEU A 635 -8.681 7.008 -3.204 1.00 2.05 C ATOM 183 C LEU A 635 -7.958 8.304 -3.532 1.00 2.36 C ATOM 184 O LEU A 635 -6.743 8.320 -3.742 1.00 2.50 O ATOM 185 CB LEU A 635 -9.310 6.432 -4.478 1.00 2.45 C ATOM 186 CG LEU A 635 -9.857 5.008 -4.364 1.00 2.54 C ATOM 187 CD1 LEU A 635 -11.245 5.013 -3.752 1.00 2.83 C ATOM 188 CD2 LEU A 635 -9.874 4.337 -5.725 1.00 3.12 C ATOM 0 H LEU A 635 -10.646 7.207 -2.485 1.00 1.89 H new ATOM 0 HA LEU A 635 -7.977 6.270 -2.820 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -10.122 7.089 -4.789 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -8.562 6.452 -5.271 1.00 2.45 H new ATOM 0 HG LEU A 635 -9.199 4.439 -3.707 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -11.615 3.990 -3.680 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -11.202 5.454 -2.756 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -11.917 5.599 -4.379 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -10.266 3.325 -5.627 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -10.508 4.907 -6.404 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -8.860 4.297 -6.123 1.00 3.12 H new ATOM 200 N GLU A 636 -8.716 9.389 -3.566 1.00 2.71 N ATOM 201 CA GLU A 636 -8.153 10.713 -3.764 1.00 3.25 C ATOM 202 C GLU A 636 -7.281 11.087 -2.576 1.00 3.07 C ATOM 203 O GLU A 636 -6.166 11.583 -2.742 1.00 3.33 O ATOM 204 CB GLU A 636 -9.269 11.737 -3.949 1.00 3.85 C ATOM 205 CG GLU A 636 -10.023 11.574 -5.253 1.00 4.37 C ATOM 206 CD GLU A 636 -9.126 11.748 -6.460 1.00 4.88 C ATOM 207 OE1 GLU A 636 -8.627 10.737 -6.988 1.00 5.12 O ATOM 208 OE2 GLU A 636 -8.910 12.905 -6.881 1.00 5.37 O ATOM 0 H GLU A 636 -9.730 9.376 -3.458 1.00 2.71 H new ATOM 0 HA GLU A 636 -7.537 10.707 -4.663 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -9.971 11.653 -3.119 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -8.843 12.740 -3.907 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -10.482 10.586 -5.284 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -10.832 12.303 -5.296 1.00 4.37 H new ATOM 215 N ALA A 637 -7.791 10.821 -1.380 1.00 2.79 N ATOM 216 CA ALA A 637 -7.041 11.042 -0.152 1.00 2.78 C ATOM 217 C ALA A 637 -5.725 10.278 -0.188 1.00 2.28 C ATOM 218 O ALA A 637 -4.681 10.800 0.192 1.00 2.44 O ATOM 219 CB ALA A 637 -7.864 10.617 1.051 1.00 2.89 C ATOM 0 H ALA A 637 -8.729 10.449 -1.235 1.00 2.79 H new ATOM 0 HA ALA A 637 -6.821 12.106 -0.067 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -7.291 10.788 1.962 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -8.784 11.200 1.086 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -8.108 9.558 0.969 1.00 2.89 H new ATOM 225 N LEU A 638 -5.793 9.039 -0.660 1.00 1.83 N ATOM 226 CA LEU A 638 -4.615 8.200 -0.819 1.00 1.65 C ATOM 227 C LEU A 638 -3.633 8.811 -1.814 1.00 2.09 C ATOM 228 O LEU A 638 -2.423 8.789 -1.597 1.00 2.25 O ATOM 229 CB LEU A 638 -5.030 6.806 -1.292 1.00 1.61 C ATOM 230 CG LEU A 638 -3.881 5.822 -1.523 1.00 1.61 C ATOM 231 CD1 LEU A 638 -3.134 5.557 -0.227 1.00 2.00 C ATOM 232 CD2 LEU A 638 -4.405 4.524 -2.114 1.00 1.99 C ATOM 0 H LEU A 638 -6.664 8.590 -0.942 1.00 1.83 H new ATOM 0 HA LEU A 638 -4.118 8.125 0.148 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -5.710 6.378 -0.555 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -5.591 6.908 -2.221 1.00 1.61 H new ATOM 0 HG LEU A 638 -3.184 6.267 -2.233 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -2.321 4.855 -0.413 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -2.725 6.492 0.155 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -3.819 5.133 0.508 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -3.575 3.835 -2.272 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -5.123 4.075 -1.428 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -4.893 4.729 -3.067 1.00 1.99 H new ATOM 244 N HIS A 639 -4.162 9.362 -2.900 1.00 2.51 N ATOM 245 CA HIS A 639 -3.331 9.967 -3.936 1.00 3.15 C ATOM 246 C HIS A 639 -2.507 11.117 -3.360 1.00 3.32 C ATOM 247 O HIS A 639 -1.336 11.285 -3.696 1.00 3.71 O ATOM 248 CB HIS A 639 -4.200 10.469 -5.096 1.00 3.69 C ATOM 249 CG HIS A 639 -3.415 11.054 -6.232 1.00 4.41 C ATOM 250 ND1 HIS A 639 -3.598 12.341 -6.692 1.00 4.97 N ATOM 251 CD2 HIS A 639 -2.441 10.516 -7.004 1.00 4.95 C ATOM 252 CE1 HIS A 639 -2.769 12.569 -7.694 1.00 5.62 C ATOM 253 NE2 HIS A 639 -2.057 11.477 -7.903 1.00 5.61 N ATOM 0 H HIS A 639 -5.164 9.403 -3.087 1.00 2.51 H new ATOM 0 HA HIS A 639 -2.649 9.206 -4.314 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -4.802 9.641 -5.471 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -4.892 11.222 -4.719 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -2.041 9.516 -6.926 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -2.687 13.492 -8.249 1.00 5.62 H new ATOM 0 HE2 HIS A 639 -1.338 11.366 -8.618 1.00 5.61 H new ATOM 262 N TRP A 640 -3.121 11.894 -2.480 1.00 3.17 N ATOM 263 CA TRP A 640 -2.446 13.028 -1.866 1.00 3.45 C ATOM 264 C TRP A 640 -1.837 12.641 -0.521 1.00 2.97 C ATOM 265 O TRP A 640 -1.352 13.493 0.224 1.00 3.21 O ATOM 266 CB TRP A 640 -3.413 14.205 -1.706 1.00 3.97 C ATOM 267 CG TRP A 640 -3.985 14.667 -3.013 1.00 4.43 C ATOM 268 CD1 TRP A 640 -5.196 14.324 -3.539 1.00 4.57 C ATOM 269 CD2 TRP A 640 -3.366 15.540 -3.970 1.00 5.16 C ATOM 270 NE1 TRP A 640 -5.368 14.924 -4.761 1.00 5.35 N ATOM 271 CE2 TRP A 640 -4.263 15.676 -5.047 1.00 5.75 C ATOM 272 CE3 TRP A 640 -2.145 16.219 -4.024 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -3.976 16.461 -6.161 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -1.863 16.998 -5.131 1.00 6.48 C ATOM 275 CH2 TRP A 640 -2.777 17.113 -6.185 1.00 7.07 C ATOM 0 H TRP A 640 -4.085 11.760 -2.175 1.00 3.17 H new ATOM 0 HA TRP A 640 -1.634 13.336 -2.524 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -4.226 13.914 -1.041 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -2.892 15.035 -1.228 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -5.915 13.674 -3.063 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -6.188 14.825 -5.359 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -1.434 16.136 -3.215 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -4.677 16.551 -6.977 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -0.922 17.526 -5.183 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -2.528 17.731 -7.035 1.00 7.07 H new ATOM 286 N TYR A 641 -1.854 11.351 -0.220 1.00 2.48 N ATOM 287 CA TYR A 641 -1.261 10.840 1.011 1.00 2.29 C ATOM 288 C TYR A 641 0.200 10.461 0.762 1.00 2.37 C ATOM 289 O TYR A 641 0.726 9.502 1.322 1.00 2.80 O ATOM 290 CB TYR A 641 -2.066 9.637 1.531 1.00 2.57 C ATOM 291 CG TYR A 641 -1.637 9.136 2.893 1.00 2.91 C ATOM 292 CD1 TYR A 641 -1.758 9.933 4.023 1.00 3.42 C ATOM 293 CD2 TYR A 641 -1.115 7.861 3.043 1.00 3.41 C ATOM 294 CE1 TYR A 641 -1.369 9.469 5.265 1.00 4.14 C ATOM 295 CE2 TYR A 641 -0.724 7.392 4.278 1.00 4.25 C ATOM 296 CZ TYR A 641 -0.853 8.196 5.386 1.00 4.51 C ATOM 297 OH TYR A 641 -0.468 7.725 6.620 1.00 5.50 O ATOM 0 H TYR A 641 -2.273 10.635 -0.813 1.00 2.48 H new ATOM 0 HA TYR A 641 -1.290 11.617 1.775 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -3.120 9.913 1.575 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -1.979 8.821 0.814 1.00 2.57 H new ATOM 0 HD1 TYR A 641 -2.162 10.930 3.930 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -1.013 7.224 2.177 1.00 3.41 H new ATOM 0 HE1 TYR A 641 -1.469 10.100 6.136 1.00 4.14 H new ATOM 0 HE2 TYR A 641 -0.318 6.396 4.376 1.00 4.25 H new ATOM 0 HH TYR A 641 -0.127 6.811 6.529 1.00 5.50 H new ATOM 307 N ASN A 642 0.853 11.232 -0.089 1.00 2.55 N ATOM 308 CA ASN A 642 2.249 10.996 -0.408 1.00 2.95 C ATOM 309 C ASN A 642 3.127 11.593 0.684 1.00 2.85 C ATOM 310 O ASN A 642 3.582 12.732 0.581 1.00 3.27 O ATOM 311 CB ASN A 642 2.595 11.596 -1.775 1.00 3.71 C ATOM 312 CG ASN A 642 3.982 11.200 -2.246 1.00 4.38 C ATOM 313 OD1 ASN A 642 4.964 11.893 -1.977 1.00 4.86 O ATOM 314 ND2 ASN A 642 4.072 10.090 -2.966 1.00 4.90 N ATOM 0 H ASN A 642 0.438 12.028 -0.572 1.00 2.55 H new ATOM 0 HA ASN A 642 2.430 9.922 -0.459 1.00 2.95 H new ATOM 0 HB2 ASN A 642 1.858 11.270 -2.509 1.00 3.71 H new ATOM 0 HB3 ASN A 642 2.530 12.683 -1.719 1.00 3.71 H new ATOM 0 HD21 ASN A 642 4.979 9.783 -3.318 1.00 4.90 H new ATOM 0 HD22 ASN A 642 3.235 9.543 -3.167 1.00 4.90 H new ATOM 321 N THR A 643 3.319 10.831 1.749 1.00 2.87 N ATOM 322 CA THR A 643 4.087 11.287 2.896 1.00 3.35 C ATOM 323 C THR A 643 4.627 10.095 3.687 1.00 3.70 C ATOM 324 O THR A 643 3.905 9.133 3.958 1.00 4.43 O ATOM 325 CB THR A 643 3.227 12.196 3.812 1.00 4.03 C ATOM 326 OG1 THR A 643 3.938 12.518 5.014 1.00 4.46 O ATOM 327 CG2 THR A 643 1.899 11.539 4.162 1.00 4.33 C ATOM 0 H THR A 643 2.949 9.885 1.843 1.00 2.87 H new ATOM 0 HA THR A 643 4.929 11.872 2.528 1.00 3.35 H new ATOM 0 HB THR A 643 3.021 13.113 3.260 1.00 4.03 H new ATOM 0 HG1 THR A 643 3.605 11.962 5.750 1.00 4.46 H new ATOM 0 HG21 THR A 643 1.322 12.204 4.805 1.00 4.33 H new ATOM 0 HG22 THR A 643 1.339 11.342 3.248 1.00 4.33 H new ATOM 0 HG23 THR A 643 2.084 10.600 4.684 1.00 4.33 H new ATOM 335 N ALA A 644 5.913 10.162 4.027 1.00 3.58 N ATOM 336 CA ALA A 644 6.574 9.100 4.775 1.00 4.14 C ATOM 337 C ALA A 644 6.148 9.121 6.237 1.00 5.22 C ATOM 338 O ALA A 644 6.056 8.080 6.885 1.00 5.98 O ATOM 339 CB ALA A 644 8.084 9.236 4.656 1.00 3.76 C ATOM 0 H ALA A 644 6.520 10.948 3.793 1.00 3.58 H new ATOM 0 HA ALA A 644 6.275 8.142 4.350 1.00 4.14 H new ATOM 0 HB1 ALA A 644 8.567 8.437 5.219 1.00 3.76 H new ATOM 0 HB2 ALA A 644 8.374 9.168 3.608 1.00 3.76 H new ATOM 0 HB3 ALA A 644 8.395 10.201 5.056 1.00 3.76 H new ATOM 345 N LEU A 645 5.908 10.317 6.753 1.00 5.58 N ATOM 346 CA LEU A 645 5.395 10.482 8.104 1.00 6.84 C ATOM 347 C LEU A 645 3.923 10.866 8.043 1.00 7.35 C ATOM 348 O LEU A 645 3.312 10.784 6.977 1.00 8.01 O ATOM 349 CB LEU A 645 6.192 11.549 8.858 1.00 7.29 C ATOM 350 CG LEU A 645 7.685 11.256 9.018 1.00 7.38 C ATOM 351 CD1 LEU A 645 8.369 12.381 9.775 1.00 7.91 C ATOM 352 CD2 LEU A 645 7.901 9.927 9.727 1.00 7.94 C ATOM 0 H LEU A 645 6.062 11.192 6.253 1.00 5.58 H new ATOM 0 HA LEU A 645 5.500 9.539 8.641 1.00 6.84 H new ATOM 0 HB2 LEU A 645 6.079 12.500 8.337 1.00 7.29 H new ATOM 0 HB3 LEU A 645 5.755 11.674 9.849 1.00 7.29 H new ATOM 0 HG LEU A 645 8.128 11.188 8.025 1.00 7.38 H new ATOM 0 HD11 LEU A 645 9.430 12.156 9.880 1.00 7.91 H new ATOM 0 HD12 LEU A 645 8.248 13.315 9.226 1.00 7.91 H new ATOM 0 HD13 LEU A 645 7.920 12.480 10.763 1.00 7.91 H new ATOM 0 HD21 LEU A 645 8.970 9.739 9.830 1.00 7.94 H new ATOM 0 HD22 LEU A 645 7.442 9.963 10.715 1.00 7.94 H new ATOM 0 HD23 LEU A 645 7.446 9.126 9.145 1.00 7.94 H new ATOM 364 N GLU A 646 3.365 11.296 9.174 1.00 7.22 N ATOM 365 CA GLU A 646 1.945 11.639 9.260 1.00 7.76 C ATOM 366 C GLU A 646 1.084 10.410 8.984 1.00 8.33 C ATOM 367 O GLU A 646 0.325 10.370 8.017 1.00 8.43 O ATOM 368 CB GLU A 646 1.588 12.762 8.279 1.00 7.59 C ATOM 369 CG GLU A 646 2.305 14.074 8.547 1.00 7.98 C ATOM 370 CD GLU A 646 1.955 14.663 9.897 1.00 8.43 C ATOM 371 OE1 GLU A 646 0.788 15.070 10.091 1.00 8.62 O ATOM 372 OE2 GLU A 646 2.847 14.740 10.765 1.00 8.80 O ATOM 0 H GLU A 646 3.877 11.416 10.048 1.00 7.22 H new ATOM 0 HA GLU A 646 1.746 11.993 10.272 1.00 7.76 H new ATOM 0 HB2 GLU A 646 1.822 12.433 7.267 1.00 7.59 H new ATOM 0 HB3 GLU A 646 0.512 12.934 8.317 1.00 7.59 H new ATOM 0 HG2 GLU A 646 3.382 13.913 8.493 1.00 7.98 H new ATOM 0 HG3 GLU A 646 2.050 14.790 7.765 1.00 7.98 H new ATOM 379 N MET A 647 1.219 9.403 9.836 1.00 8.91 N ATOM 380 CA MET A 647 0.489 8.156 9.672 1.00 9.60 C ATOM 381 C MET A 647 -0.980 8.336 10.027 1.00 9.81 C ATOM 382 O MET A 647 -1.313 8.660 11.169 1.00 10.24 O ATOM 383 CB MET A 647 1.099 7.056 10.546 1.00 10.34 C ATOM 384 CG MET A 647 0.377 5.721 10.434 1.00 10.82 C ATOM 385 SD MET A 647 1.017 4.485 11.580 1.00 11.51 S ATOM 386 CE MET A 647 -0.036 3.092 11.182 1.00 12.08 C ATOM 0 H MET A 647 1.831 9.427 10.652 1.00 8.91 H new ATOM 0 HA MET A 647 0.563 7.862 8.625 1.00 9.60 H new ATOM 0 HB2 MET A 647 2.144 6.919 10.267 1.00 10.34 H new ATOM 0 HB3 MET A 647 1.086 7.381 11.586 1.00 10.34 H new ATOM 0 HG2 MET A 647 -0.686 5.870 10.624 1.00 10.82 H new ATOM 0 HG3 MET A 647 0.469 5.347 9.414 1.00 10.82 H new ATOM 0 HE1 MET A 647 0.135 2.290 11.900 1.00 12.08 H new ATOM 0 HE2 MET A 647 -1.080 3.401 11.225 1.00 12.08 H new ATOM 0 HE3 MET A 647 0.196 2.736 10.178 1.00 12.08 H new ATOM 396 N THR A 648 -1.845 8.144 9.042 1.00 9.65 N ATOM 397 CA THR A 648 -3.276 8.177 9.275 1.00 9.89 C ATOM 398 C THR A 648 -3.749 6.818 9.777 1.00 10.52 C ATOM 399 O THR A 648 -3.307 5.774 9.292 1.00 10.68 O ATOM 400 CB THR A 648 -4.073 8.578 8.003 1.00 9.58 C ATOM 401 OG1 THR A 648 -5.468 8.714 8.310 1.00 9.43 O ATOM 402 CG2 THR A 648 -3.910 7.554 6.889 1.00 9.40 C ATOM 0 H THR A 648 -1.578 7.964 8.074 1.00 9.65 H new ATOM 0 HA THR A 648 -3.466 8.940 10.030 1.00 9.89 H new ATOM 0 HB THR A 648 -3.671 9.532 7.660 1.00 9.58 H new ATOM 0 HG1 THR A 648 -5.958 8.969 7.500 1.00 9.43 H new ATOM 0 HG21 THR A 648 -4.482 7.871 6.017 1.00 9.40 H new ATOM 0 HG22 THR A 648 -2.857 7.472 6.621 1.00 9.40 H new ATOM 0 HG23 THR A 648 -4.274 6.585 7.230 1.00 9.40 H new ATOM 410 N ASP A 649 -4.611 6.835 10.777 1.00 11.04 N ATOM 411 CA ASP A 649 -5.188 5.610 11.302 1.00 11.77 C ATOM 412 C ASP A 649 -6.700 5.649 11.144 1.00 11.96 C ATOM 413 O ASP A 649 -7.416 4.775 11.632 1.00 12.46 O ATOM 414 CB ASP A 649 -4.808 5.415 12.775 1.00 12.46 C ATOM 415 CG ASP A 649 -5.522 6.373 13.710 1.00 13.07 C ATOM 416 OD1 ASP A 649 -6.508 5.961 14.357 1.00 13.39 O ATOM 417 OD2 ASP A 649 -5.109 7.547 13.787 1.00 13.37 O ATOM 0 H ASP A 649 -4.928 7.685 11.243 1.00 11.04 H new ATOM 0 HA ASP A 649 -4.791 4.766 10.739 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -5.038 4.391 13.070 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -3.731 5.545 12.886 1.00 12.46 H new ATOM 422 N CYS A 650 -7.173 6.664 10.436 1.00 11.69 N ATOM 423 CA CYS A 650 -8.601 6.852 10.227 1.00 11.94 C ATOM 424 C CYS A 650 -9.092 5.977 9.079 1.00 12.07 C ATOM 425 O CYS A 650 -9.014 6.358 7.909 1.00 12.15 O ATOM 426 CB CYS A 650 -8.914 8.324 9.942 1.00 11.96 C ATOM 427 SG CYS A 650 -10.679 8.687 9.796 1.00 12.13 S ATOM 0 H CYS A 650 -6.586 7.372 9.995 1.00 11.69 H new ATOM 0 HA CYS A 650 -9.122 6.557 11.138 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -8.493 8.935 10.740 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -8.416 8.618 9.018 1.00 11.96 H new ATOM 0 HG CYS A 650 -10.843 9.954 9.557 1.00 12.13 H new ATOM 433 N ASP A 651 -9.586 4.798 9.421 1.00 12.25 N ATOM 434 CA ASP A 651 -10.110 3.866 8.432 1.00 12.49 C ATOM 435 C ASP A 651 -11.620 4.013 8.321 1.00 12.81 C ATOM 436 O ASP A 651 -12.296 4.294 9.313 1.00 12.82 O ATOM 437 CB ASP A 651 -9.754 2.430 8.817 1.00 12.51 C ATOM 438 CG ASP A 651 -10.093 1.431 7.728 1.00 12.95 C ATOM 439 OD1 ASP A 651 -10.709 0.388 8.040 1.00 13.19 O ATOM 440 OD2 ASP A 651 -9.768 1.695 6.553 1.00 13.19 O ATOM 0 H ASP A 651 -9.636 4.461 10.382 1.00 12.25 H new ATOM 0 HA ASP A 651 -9.660 4.094 7.466 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -8.689 2.371 9.039 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -10.285 2.161 9.730 1.00 12.51 H new ATOM 445 N GLU A 652 -12.145 3.832 7.120 1.00 13.23 N ATOM 446 CA GLU A 652 -13.577 3.938 6.890 1.00 13.69 C ATOM 447 C GLU A 652 -14.047 2.799 5.992 1.00 13.73 C ATOM 448 O GLU A 652 -13.247 2.207 5.263 1.00 14.19 O ATOM 449 CB GLU A 652 -13.920 5.295 6.264 1.00 14.37 C ATOM 450 CG GLU A 652 -13.231 5.559 4.932 1.00 14.63 C ATOM 451 CD GLU A 652 -13.675 6.863 4.303 1.00 15.07 C ATOM 452 OE1 GLU A 652 -13.006 7.894 4.526 1.00 15.16 O ATOM 453 OE2 GLU A 652 -14.696 6.867 3.581 1.00 15.45 O ATOM 0 H GLU A 652 -11.599 3.610 6.287 1.00 13.23 H new ATOM 0 HA GLU A 652 -14.093 3.864 7.847 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -14.999 5.354 6.120 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -13.648 6.085 6.964 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -12.152 5.580 5.082 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -13.442 4.738 4.247 1.00 14.63 H new ATOM 460 N GLY A 653 -15.332 2.485 6.054 1.00 13.37 N ATOM 461 CA GLY A 653 -15.865 1.403 5.254 1.00 13.46 C ATOM 462 C GLY A 653 -17.360 1.507 5.062 1.00 12.98 C ATOM 463 O GLY A 653 -17.833 1.862 3.983 1.00 13.22 O ATOM 0 H GLY A 653 -16.015 2.960 6.644 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -15.376 1.401 4.280 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -15.629 0.452 5.731 1.00 13.46 H new ATOM 467 N GLY A 654 -18.106 1.197 6.110 1.00 12.43 N ATOM 468 CA GLY A 654 -19.546 1.257 6.036 1.00 12.06 C ATOM 469 C GLY A 654 -20.186 -0.065 6.390 1.00 11.36 C ATOM 470 O GLY A 654 -20.420 -0.356 7.563 1.00 11.43 O ATOM 0 H GLY A 654 -17.736 0.904 7.014 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -19.912 2.030 6.712 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -19.846 1.547 5.029 1.00 12.06 H new ATOM 474 N GLU A 655 -20.440 -0.880 5.380 1.00 10.85 N ATOM 475 CA GLU A 655 -21.103 -2.157 5.572 1.00 10.24 C ATOM 476 C GLU A 655 -20.732 -3.116 4.450 1.00 9.73 C ATOM 477 O GLU A 655 -20.582 -2.694 3.301 1.00 9.57 O ATOM 478 CB GLU A 655 -22.620 -1.956 5.609 1.00 10.26 C ATOM 479 CG GLU A 655 -23.185 -1.373 4.322 1.00 10.19 C ATOM 480 CD GLU A 655 -24.677 -1.153 4.385 1.00 10.69 C ATOM 481 OE1 GLU A 655 -25.429 -2.149 4.400 1.00 10.96 O ATOM 482 OE2 GLU A 655 -25.109 0.020 4.400 1.00 10.98 O ATOM 0 H GLU A 655 -20.194 -0.677 4.411 1.00 10.85 H new ATOM 0 HA GLU A 655 -20.777 -2.584 6.520 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -23.101 -2.914 5.807 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -22.871 -1.296 6.439 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -22.691 -0.425 4.111 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -22.956 -2.043 3.494 1.00 10.19 H new ATOM 489 N TYR A 656 -20.573 -4.392 4.805 1.00 9.64 N ATOM 490 CA TYR A 656 -20.229 -5.450 3.851 1.00 9.25 C ATOM 491 C TYR A 656 -18.828 -5.255 3.278 1.00 8.16 C ATOM 492 O TYR A 656 -18.500 -4.206 2.724 1.00 8.22 O ATOM 493 CB TYR A 656 -21.265 -5.534 2.722 1.00 10.13 C ATOM 494 CG TYR A 656 -20.849 -6.432 1.572 1.00 10.38 C ATOM 495 CD1 TYR A 656 -20.774 -7.808 1.740 1.00 10.66 C ATOM 496 CD2 TYR A 656 -20.540 -5.908 0.321 1.00 10.57 C ATOM 497 CE1 TYR A 656 -20.402 -8.636 0.700 1.00 11.10 C ATOM 498 CE2 TYR A 656 -20.167 -6.732 -0.726 1.00 10.97 C ATOM 499 CZ TYR A 656 -20.069 -8.064 -0.544 1.00 11.23 C ATOM 500 OH TYR A 656 -19.725 -8.923 -1.568 1.00 11.80 O ATOM 0 H TYR A 656 -20.679 -4.723 5.764 1.00 9.64 H new ATOM 0 HA TYR A 656 -20.239 -6.393 4.397 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -22.207 -5.898 3.133 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -21.452 -4.531 2.338 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -21.011 -8.238 2.702 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -20.592 -4.841 0.164 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -20.367 -9.707 0.838 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -19.953 -6.305 -1.695 1.00 10.97 H new ATOM 0 HH TYR A 656 -19.518 -8.405 -2.374 1.00 11.80 H new ATOM 510 N ASP A 657 -18.000 -6.273 3.419 1.00 7.39 N ATOM 511 CA ASP A 657 -16.655 -6.239 2.879 1.00 6.44 C ATOM 512 C ASP A 657 -16.535 -7.204 1.710 1.00 6.09 C ATOM 513 O ASP A 657 -16.768 -8.404 1.860 1.00 6.31 O ATOM 514 CB ASP A 657 -15.632 -6.586 3.959 1.00 6.14 C ATOM 515 CG ASP A 657 -14.210 -6.549 3.438 1.00 5.90 C ATOM 516 OD1 ASP A 657 -13.383 -7.370 3.884 1.00 5.94 O ATOM 517 OD2 ASP A 657 -13.913 -5.706 2.568 1.00 6.00 O ATOM 0 H ASP A 657 -18.237 -7.137 3.906 1.00 7.39 H new ATOM 0 HA ASP A 657 -16.451 -5.229 2.524 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -15.731 -5.886 4.788 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -15.846 -7.579 4.353 1.00 6.14 H new ATOM 522 N GLY A 658 -16.188 -6.668 0.547 1.00 5.88 N ATOM 523 CA GLY A 658 -16.067 -7.482 -0.648 1.00 5.75 C ATOM 524 C GLY A 658 -14.873 -8.412 -0.599 1.00 4.80 C ATOM 525 O GLY A 658 -14.842 -9.431 -1.290 1.00 5.02 O ATOM 0 H GLY A 658 -15.987 -5.678 0.409 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -16.976 -8.070 -0.777 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -15.982 -6.832 -1.519 1.00 5.75 H new ATOM 529 N MET A 659 -13.888 -8.057 0.212 1.00 3.98 N ATOM 530 CA MET A 659 -12.701 -8.878 0.383 1.00 3.13 C ATOM 531 C MET A 659 -13.045 -10.183 1.097 1.00 2.86 C ATOM 532 O MET A 659 -13.470 -10.180 2.253 1.00 2.97 O ATOM 533 CB MET A 659 -11.640 -8.104 1.168 1.00 2.88 C ATOM 534 CG MET A 659 -10.483 -8.963 1.656 1.00 2.45 C ATOM 535 SD MET A 659 -9.247 -8.008 2.552 1.00 2.41 S ATOM 536 CE MET A 659 -8.325 -9.330 3.333 1.00 2.25 C ATOM 0 H MET A 659 -13.889 -7.200 0.765 1.00 3.98 H new ATOM 0 HA MET A 659 -12.303 -9.124 -0.601 1.00 3.13 H new ATOM 0 HB2 MET A 659 -11.246 -7.306 0.538 1.00 2.88 H new ATOM 0 HB3 MET A 659 -12.113 -7.628 2.027 1.00 2.88 H new ATOM 0 HG2 MET A 659 -10.867 -9.752 2.303 1.00 2.45 H new ATOM 0 HG3 MET A 659 -10.012 -9.452 0.803 1.00 2.45 H new ATOM 0 HE1 MET A 659 -7.713 -8.921 4.137 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.018 -10.065 3.742 1.00 2.25 H new ATOM 0 HE3 MET A 659 -7.681 -9.810 2.596 1.00 2.25 H new ATOM 546 N GLN A 660 -12.856 -11.296 0.404 1.00 3.00 N ATOM 547 CA GLN A 660 -13.201 -12.604 0.946 1.00 3.07 C ATOM 548 C GLN A 660 -12.048 -13.191 1.757 1.00 2.63 C ATOM 549 O GLN A 660 -11.555 -14.282 1.457 1.00 3.22 O ATOM 550 CB GLN A 660 -13.595 -13.561 -0.181 1.00 3.99 C ATOM 551 CG GLN A 660 -14.779 -13.084 -1.004 1.00 4.68 C ATOM 552 CD GLN A 660 -15.134 -14.034 -2.136 1.00 5.55 C ATOM 553 OE1 GLN A 660 -14.900 -15.324 -1.936 1.00 6.02 O flip ATOM 554 NE2 GLN A 660 -15.619 -13.610 -3.187 1.00 6.10 N flip ATOM 0 H GLN A 660 -12.465 -11.320 -0.538 1.00 3.00 H new ATOM 0 HA GLN A 660 -14.052 -12.474 1.615 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -12.739 -13.702 -0.841 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -13.831 -14.535 0.248 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -15.644 -12.965 -0.352 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -14.555 -12.101 -1.418 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -15.785 -12.611 -3.305 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -15.854 -14.259 -3.938 1.00 6.10 H new ATOM 563 N ASP A 661 -11.622 -12.438 2.771 1.00 2.13 N ATOM 564 CA ASP A 661 -10.605 -12.867 3.747 1.00 2.09 C ATOM 565 C ASP A 661 -9.190 -12.944 3.163 1.00 1.75 C ATOM 566 O ASP A 661 -8.230 -12.550 3.824 1.00 1.98 O ATOM 567 CB ASP A 661 -10.978 -14.213 4.384 1.00 2.69 C ATOM 568 CG ASP A 661 -9.899 -14.729 5.319 1.00 3.26 C ATOM 569 OD1 ASP A 661 -9.727 -14.151 6.416 1.00 3.86 O ATOM 570 OD2 ASP A 661 -9.225 -15.719 4.964 1.00 3.59 O ATOM 0 H ASP A 661 -11.976 -11.497 2.945 1.00 2.13 H new ATOM 0 HA ASP A 661 -10.593 -12.092 4.513 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -11.912 -14.104 4.936 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -11.156 -14.947 3.598 1.00 2.69 H new ATOM 575 N GLU A 662 -9.067 -13.442 1.940 1.00 1.44 N ATOM 576 CA GLU A 662 -7.763 -13.659 1.315 1.00 1.24 C ATOM 577 C GLU A 662 -7.142 -12.341 0.856 1.00 1.00 C ATOM 578 O GLU A 662 -7.594 -11.736 -0.121 1.00 1.01 O ATOM 579 CB GLU A 662 -7.901 -14.608 0.126 1.00 1.40 C ATOM 580 CG GLU A 662 -6.595 -14.867 -0.607 1.00 1.93 C ATOM 581 CD GLU A 662 -6.783 -15.742 -1.825 1.00 2.45 C ATOM 582 OE1 GLU A 662 -6.755 -16.979 -1.681 1.00 2.64 O ATOM 583 OE2 GLU A 662 -6.956 -15.194 -2.934 1.00 3.19 O ATOM 0 H GLU A 662 -9.859 -13.706 1.355 1.00 1.44 H new ATOM 0 HA GLU A 662 -7.104 -14.105 2.060 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -8.305 -15.558 0.476 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -8.625 -14.193 -0.576 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -6.157 -13.916 -0.910 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -5.888 -15.342 0.073 1.00 1.93 H new ATOM 590 N PRO A 663 -6.110 -11.860 1.564 1.00 0.86 N ATOM 591 CA PRO A 663 -5.437 -10.626 1.202 1.00 0.68 C ATOM 592 C PRO A 663 -4.392 -10.827 0.106 1.00 0.57 C ATOM 593 O PRO A 663 -3.426 -11.571 0.283 1.00 0.62 O ATOM 594 CB PRO A 663 -4.775 -10.208 2.513 1.00 0.69 C ATOM 595 CG PRO A 663 -4.476 -11.492 3.219 1.00 0.86 C ATOM 596 CD PRO A 663 -5.494 -12.504 2.741 1.00 0.97 C ATOM 0 HA PRO A 663 -6.122 -9.884 0.793 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -3.865 -9.636 2.331 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -5.436 -9.576 3.106 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -3.463 -11.828 2.996 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -4.538 -11.362 4.299 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.023 -13.451 2.477 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -6.234 -12.720 3.511 1.00 0.97 H new ATOM 604 N ARG A 664 -4.575 -10.153 -1.018 1.00 0.52 N ATOM 605 CA ARG A 664 -3.556 -10.122 -2.058 1.00 0.49 C ATOM 606 C ARG A 664 -2.476 -9.106 -1.693 1.00 0.35 C ATOM 607 O ARG A 664 -1.284 -9.312 -1.936 1.00 0.34 O ATOM 608 CB ARG A 664 -4.192 -9.783 -3.413 1.00 0.65 C ATOM 609 CG ARG A 664 -3.193 -9.594 -4.543 1.00 1.17 C ATOM 610 CD ARG A 664 -3.889 -9.381 -5.882 1.00 1.16 C ATOM 611 NE ARG A 664 -4.872 -8.298 -5.831 1.00 1.69 N ATOM 612 CZ ARG A 664 -5.151 -7.489 -6.854 1.00 2.17 C ATOM 613 NH1 ARG A 664 -4.508 -7.615 -8.008 1.00 2.20 N ATOM 614 NH2 ARG A 664 -6.083 -6.555 -6.720 1.00 3.16 N ATOM 0 H ARG A 664 -5.418 -9.621 -1.235 1.00 0.52 H new ATOM 0 HA ARG A 664 -3.093 -11.106 -2.138 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -4.885 -10.579 -3.685 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -4.780 -8.871 -3.307 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -2.555 -8.738 -4.325 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -2.544 -10.468 -4.605 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -3.143 -9.156 -6.645 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -4.384 -10.304 -6.182 1.00 1.16 H new ATOM 0 HE ARG A 664 -5.376 -8.152 -4.956 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -3.794 -8.335 -8.118 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -4.728 -6.992 -8.785 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -6.584 -6.457 -5.837 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -6.299 -5.934 -7.500 1.00 3.16 H new ATOM 628 N TYR A 665 -2.911 -8.022 -1.060 1.00 0.30 N ATOM 629 CA TYR A 665 -2.028 -6.915 -0.724 1.00 0.25 C ATOM 630 C TYR A 665 -0.972 -7.325 0.294 1.00 0.22 C ATOM 631 O TYR A 665 0.164 -6.873 0.225 1.00 0.22 O ATOM 632 CB TYR A 665 -2.837 -5.714 -0.214 1.00 0.27 C ATOM 633 CG TYR A 665 -3.760 -6.003 0.958 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.099 -6.311 0.756 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.284 -5.992 2.262 1.00 0.42 C ATOM 636 CE1 TYR A 665 -5.937 -6.594 1.818 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.117 -6.273 3.330 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.461 -6.495 3.107 1.00 0.64 C ATOM 639 OH TYR A 665 -6.277 -6.851 4.159 1.00 0.81 O ATOM 0 H TYR A 665 -3.879 -7.888 -0.768 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.507 -6.622 -1.635 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.142 -4.926 0.078 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.434 -5.323 -1.038 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.493 -6.330 -0.249 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.245 -5.760 2.446 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.960 -6.891 1.638 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -3.718 -6.318 4.333 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.155 -6.217 4.897 1.00 0.81 H new ATOM 649 N MET A 666 -1.341 -8.202 1.219 1.00 0.25 N ATOM 650 CA MET A 666 -0.412 -8.648 2.252 1.00 0.28 C ATOM 651 C MET A 666 0.657 -9.545 1.658 1.00 0.25 C ATOM 652 O MET A 666 1.780 -9.591 2.151 1.00 0.25 O ATOM 653 CB MET A 666 -1.145 -9.373 3.383 1.00 0.37 C ATOM 654 CG MET A 666 -1.809 -8.436 4.381 1.00 0.48 C ATOM 655 SD MET A 666 -2.755 -9.320 5.636 1.00 1.17 S ATOM 656 CE MET A 666 -3.394 -7.954 6.605 1.00 1.14 C ATOM 0 H MET A 666 -2.271 -8.617 1.276 1.00 0.25 H new ATOM 0 HA MET A 666 0.067 -7.763 2.672 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.903 -10.027 2.952 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.437 -10.011 3.912 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.046 -7.828 4.867 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.469 -7.752 3.848 1.00 0.48 H new ATOM 0 HE1 MET A 666 -3.738 -8.323 7.571 1.00 1.14 H new ATOM 0 HE2 MET A 666 -2.606 -7.216 6.757 1.00 1.14 H new ATOM 0 HE3 MET A 666 -4.227 -7.491 6.076 1.00 1.14 H new ATOM 666 N MET A 667 0.313 -10.242 0.583 1.00 0.26 N ATOM 667 CA MET A 667 1.277 -11.075 -0.121 1.00 0.27 C ATOM 668 C MET A 667 2.294 -10.188 -0.828 1.00 0.23 C ATOM 669 O MET A 667 3.509 -10.371 -0.693 1.00 0.23 O ATOM 670 CB MET A 667 0.564 -11.979 -1.133 1.00 0.34 C ATOM 671 CG MET A 667 1.502 -12.876 -1.929 1.00 0.47 C ATOM 672 SD MET A 667 0.637 -13.901 -3.138 1.00 1.20 S ATOM 673 CE MET A 667 -0.064 -12.651 -4.215 1.00 1.10 C ATOM 0 H MET A 667 -0.624 -10.247 0.181 1.00 0.26 H new ATOM 0 HA MET A 667 1.794 -11.710 0.599 1.00 0.27 H new ATOM 0 HB2 MET A 667 -0.156 -12.603 -0.604 1.00 0.34 H new ATOM 0 HB3 MET A 667 -0.002 -11.356 -1.826 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.237 -12.258 -2.444 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.052 -13.519 -1.242 1.00 0.47 H new ATOM 0 HE1 MET A 667 -0.538 -13.132 -5.071 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.807 -12.073 -3.666 1.00 1.10 H new ATOM 0 HE3 MET A 667 0.727 -11.987 -4.564 1.00 1.10 H new ATOM 683 N LEU A 668 1.779 -9.202 -1.556 1.00 0.21 N ATOM 684 CA LEU A 668 2.626 -8.235 -2.252 1.00 0.19 C ATOM 685 C LEU A 668 3.450 -7.425 -1.254 1.00 0.17 C ATOM 686 O LEU A 668 4.603 -7.075 -1.519 1.00 0.17 O ATOM 687 CB LEU A 668 1.776 -7.291 -3.118 1.00 0.21 C ATOM 688 CG LEU A 668 1.415 -7.805 -4.520 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.703 -9.147 -4.462 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.549 -6.786 -5.242 1.00 0.80 C ATOM 0 H LEU A 668 0.778 -9.050 -1.680 1.00 0.21 H new ATOM 0 HA LEU A 668 3.305 -8.788 -2.901 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.851 -7.074 -2.583 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.312 -6.348 -3.225 1.00 0.21 H new ATOM 0 HG LEU A 668 2.345 -7.947 -5.071 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.465 -9.476 -5.473 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.351 -9.882 -3.984 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.217 -9.046 -3.887 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.299 -7.160 -6.235 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.367 -6.620 -4.675 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.094 -5.846 -5.335 1.00 0.80 H new ATOM 702 N ALA A 669 2.870 -7.169 -0.085 1.00 0.18 N ATOM 703 CA ALA A 669 3.541 -6.388 0.939 1.00 0.19 C ATOM 704 C ALA A 669 4.572 -7.237 1.665 1.00 0.20 C ATOM 705 O ALA A 669 5.597 -6.729 2.103 1.00 0.22 O ATOM 706 CB ALA A 669 2.537 -5.819 1.926 1.00 0.23 C ATOM 0 H ALA A 669 1.938 -7.492 0.173 1.00 0.18 H new ATOM 0 HA ALA A 669 4.053 -5.558 0.453 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.062 -5.238 2.684 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.833 -5.176 1.398 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.995 -6.635 2.405 1.00 0.23 H new ATOM 712 N ARG A 670 4.295 -8.533 1.786 1.00 0.22 N ATOM 713 CA ARG A 670 5.249 -9.465 2.370 1.00 0.26 C ATOM 714 C ARG A 670 6.502 -9.518 1.514 1.00 0.23 C ATOM 715 O ARG A 670 7.624 -9.492 2.022 1.00 0.25 O ATOM 716 CB ARG A 670 4.645 -10.865 2.477 1.00 0.33 C ATOM 717 CG ARG A 670 5.577 -11.873 3.128 1.00 0.41 C ATOM 718 CD ARG A 670 5.005 -13.279 3.083 1.00 0.83 C ATOM 719 NE ARG A 670 5.890 -14.244 3.730 1.00 1.62 N ATOM 720 CZ ARG A 670 5.975 -15.530 3.391 1.00 2.33 C ATOM 721 NH1 ARG A 670 5.244 -16.011 2.393 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.802 -16.331 4.051 1.00 3.33 N ATOM 0 H ARG A 670 3.418 -8.959 1.487 1.00 0.22 H new ATOM 0 HA ARG A 670 5.501 -9.117 3.372 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.720 -10.811 3.052 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.380 -11.216 1.480 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.542 -11.856 2.621 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.756 -11.586 4.164 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.032 -13.292 3.574 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.843 -13.573 2.046 1.00 0.83 H new ATOM 0 HE ARG A 670 6.482 -13.912 4.491 1.00 1.62 H new ATOM 0 HH11 ARG A 670 4.613 -15.395 1.881 1.00 2.41 H new ATOM 0 HH12 ARG A 670 5.314 -16.996 2.139 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.369 -15.962 4.814 1.00 3.33 H new ATOM 0 HH22 ARG A 670 6.870 -17.316 3.795 1.00 3.33 H new ATOM 736 N GLU A 671 6.303 -9.575 0.203 1.00 0.22 N ATOM 737 CA GLU A 671 7.412 -9.583 -0.727 1.00 0.23 C ATOM 738 C GLU A 671 8.151 -8.251 -0.655 1.00 0.19 C ATOM 739 O GLU A 671 9.379 -8.209 -0.595 1.00 0.21 O ATOM 740 CB GLU A 671 6.906 -9.860 -2.142 1.00 0.30 C ATOM 741 CG GLU A 671 8.013 -10.030 -3.165 1.00 0.38 C ATOM 742 CD GLU A 671 7.509 -10.628 -4.457 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.158 -9.856 -5.377 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.459 -11.866 -4.567 1.00 1.11 O ATOM 0 H GLU A 671 5.383 -9.616 -0.235 1.00 0.22 H new ATOM 0 HA GLU A 671 8.109 -10.377 -0.458 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.294 -10.762 -2.129 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.259 -9.040 -2.454 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.469 -9.061 -3.369 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.793 -10.669 -2.751 1.00 0.38 H new ATOM 751 N ALA A 672 7.385 -7.165 -0.628 1.00 0.17 N ATOM 752 CA ALA A 672 7.946 -5.829 -0.458 1.00 0.18 C ATOM 753 C ALA A 672 8.748 -5.728 0.840 1.00 0.20 C ATOM 754 O ALA A 672 9.813 -5.114 0.878 1.00 0.23 O ATOM 755 CB ALA A 672 6.834 -4.793 -0.477 1.00 0.21 C ATOM 0 H ALA A 672 6.370 -7.184 -0.722 1.00 0.17 H new ATOM 0 HA ALA A 672 8.627 -5.636 -1.287 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.261 -3.798 -0.349 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.307 -4.842 -1.430 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.135 -4.994 0.335 1.00 0.21 H new ATOM 761 N GLU A 673 8.227 -6.347 1.892 1.00 0.22 N ATOM 762 CA GLU A 673 8.888 -6.378 3.189 1.00 0.28 C ATOM 763 C GLU A 673 10.213 -7.122 3.090 1.00 0.28 C ATOM 764 O GLU A 673 11.230 -6.677 3.625 1.00 0.31 O ATOM 765 CB GLU A 673 7.968 -7.044 4.219 1.00 0.34 C ATOM 766 CG GLU A 673 8.600 -7.245 5.584 1.00 0.70 C ATOM 767 CD GLU A 673 7.614 -7.776 6.604 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.265 -7.032 7.548 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.183 -8.941 6.469 1.00 1.76 O ATOM 0 H GLU A 673 7.335 -6.841 1.869 1.00 0.22 H new ATOM 0 HA GLU A 673 9.096 -5.357 3.510 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.070 -6.436 4.333 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.650 -8.012 3.833 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.436 -7.939 5.496 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.008 -6.297 5.936 1.00 0.70 H new ATOM 776 N MET A 674 10.204 -8.241 2.373 1.00 0.27 N ATOM 777 CA MET A 674 11.419 -9.021 2.167 1.00 0.31 C ATOM 778 C MET A 674 12.406 -8.251 1.299 1.00 0.29 C ATOM 779 O MET A 674 13.612 -8.471 1.371 1.00 0.34 O ATOM 780 CB MET A 674 11.105 -10.379 1.536 1.00 0.36 C ATOM 781 CG MET A 674 10.273 -11.285 2.429 1.00 0.54 C ATOM 782 SD MET A 674 10.161 -12.978 1.811 1.00 0.60 S ATOM 783 CE MET A 674 9.327 -12.732 0.245 1.00 0.79 C ATOM 0 H MET A 674 9.372 -8.627 1.926 1.00 0.27 H new ATOM 0 HA MET A 674 11.872 -9.198 3.143 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.574 -10.220 0.597 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.041 -10.882 1.292 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.707 -11.297 3.429 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.269 -10.871 2.522 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.300 -13.673 -0.305 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.309 -12.388 0.425 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.864 -11.985 -0.340 1.00 0.79 H new ATOM 793 N LEU A 675 11.891 -7.340 0.483 1.00 0.26 N ATOM 794 CA LEU A 675 12.734 -6.479 -0.333 1.00 0.27 C ATOM 795 C LEU A 675 13.188 -5.259 0.464 1.00 0.30 C ATOM 796 O LEU A 675 14.150 -4.595 0.096 1.00 0.39 O ATOM 797 CB LEU A 675 11.980 -6.026 -1.592 1.00 0.27 C ATOM 798 CG LEU A 675 12.173 -6.889 -2.849 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.608 -6.811 -3.340 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.778 -8.335 -2.592 1.00 0.47 C ATOM 0 H LEU A 675 10.890 -7.179 0.369 1.00 0.26 H new ATOM 0 HA LEU A 675 13.613 -7.050 -0.632 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.916 -5.993 -1.360 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.287 -5.007 -1.826 1.00 0.27 H new ATOM 0 HG LEU A 675 11.518 -6.494 -3.625 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.722 -7.429 -4.230 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.854 -5.777 -3.582 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.279 -7.171 -2.560 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.926 -8.919 -3.500 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.395 -8.744 -1.792 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.729 -8.379 -2.299 1.00 0.47 H new ATOM 812 N PHE A 676 12.488 -4.960 1.549 1.00 0.30 N ATOM 813 CA PHE A 676 12.824 -3.804 2.368 1.00 0.37 C ATOM 814 C PHE A 676 13.902 -4.148 3.395 1.00 0.42 C ATOM 815 O PHE A 676 15.003 -3.596 3.353 1.00 0.46 O ATOM 816 CB PHE A 676 11.571 -3.265 3.073 1.00 0.44 C ATOM 817 CG PHE A 676 11.807 -1.989 3.837 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.544 -1.921 5.196 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.295 -0.858 3.197 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.760 -0.754 5.901 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.513 0.313 3.899 1.00 0.82 C ATOM 822 CZ PHE A 676 12.245 0.365 5.252 1.00 0.82 C ATOM 0 H PHE A 676 11.688 -5.498 1.881 1.00 0.30 H new ATOM 0 HA PHE A 676 13.219 -3.031 1.709 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.792 -3.094 2.330 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.196 -4.025 3.759 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.165 -2.792 5.710 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.507 -0.893 2.139 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.550 -0.716 6.960 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.893 1.186 3.389 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.414 1.279 5.802 1.00 0.82 H new ATOM 832 N THR A 677 13.597 -5.076 4.294 1.00 0.47 N ATOM 833 CA THR A 677 14.508 -5.399 5.382 1.00 0.57 C ATOM 834 C THR A 677 15.503 -6.482 4.983 1.00 0.65 C ATOM 835 O THR A 677 16.490 -6.722 5.678 1.00 0.89 O ATOM 836 CB THR A 677 13.732 -5.854 6.633 1.00 0.77 C ATOM 837 OG1 THR A 677 12.830 -6.916 6.293 1.00 1.45 O ATOM 838 CG2 THR A 677 12.950 -4.697 7.231 1.00 0.97 C ATOM 0 H THR A 677 12.731 -5.615 4.291 1.00 0.47 H new ATOM 0 HA THR A 677 15.062 -4.488 5.611 1.00 0.57 H new ATOM 0 HB THR A 677 14.452 -6.210 7.370 1.00 0.77 H new ATOM 0 HG1 THR A 677 12.342 -7.200 7.094 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.410 -5.040 8.113 1.00 0.97 H new ATOM 0 HG22 THR A 677 13.638 -3.901 7.514 1.00 0.97 H new ATOM 0 HG23 THR A 677 12.240 -4.319 6.495 1.00 0.97 H new ATOM 846 N GLY A 678 15.246 -7.127 3.857 1.00 0.61 N ATOM 847 CA GLY A 678 16.108 -8.200 3.414 1.00 0.76 C ATOM 848 C GLY A 678 15.490 -9.551 3.675 1.00 1.01 C ATOM 849 O GLY A 678 14.900 -9.779 4.733 1.00 1.40 O ATOM 0 H GLY A 678 14.457 -6.927 3.243 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.308 -8.090 2.348 1.00 0.76 H new ATOM 0 HA3 GLY A 678 17.067 -8.133 3.927 1.00 0.76 H new ATOM 853 N GLY A 679 15.615 -10.450 2.718 1.00 1.33 N ATOM 854 CA GLY A 679 15.024 -11.754 2.867 1.00 1.95 C ATOM 855 C GLY A 679 16.001 -12.857 2.556 1.00 1.80 C ATOM 856 O GLY A 679 17.081 -12.606 2.023 1.00 2.07 O ATOM 0 H GLY A 679 16.115 -10.299 1.842 1.00 1.33 H new ATOM 0 HA2 GLY A 679 14.658 -11.871 3.887 1.00 1.95 H new ATOM 0 HA3 GLY A 679 14.161 -11.838 2.207 1.00 1.95 H new ATOM 860 N TYR A 680 15.623 -14.077 2.889 1.00 1.93 N ATOM 861 CA TYR A 680 16.455 -15.239 2.621 1.00 2.05 C ATOM 862 C TYR A 680 16.306 -15.644 1.159 1.00 1.75 C ATOM 863 O TYR A 680 15.559 -16.570 0.828 1.00 2.00 O ATOM 864 CB TYR A 680 16.068 -16.396 3.552 1.00 2.63 C ATOM 865 CG TYR A 680 16.079 -16.006 5.014 1.00 3.13 C ATOM 866 CD1 TYR A 680 17.252 -16.042 5.754 1.00 3.63 C ATOM 867 CD2 TYR A 680 14.916 -15.589 5.648 1.00 3.37 C ATOM 868 CE1 TYR A 680 17.267 -15.672 7.086 1.00 4.26 C ATOM 869 CE2 TYR A 680 14.922 -15.220 6.979 1.00 3.94 C ATOM 870 CZ TYR A 680 16.100 -15.262 7.693 1.00 4.36 C ATOM 871 OH TYR A 680 16.110 -14.887 9.018 1.00 5.05 O ATOM 0 H TYR A 680 14.738 -14.291 3.349 1.00 1.93 H new ATOM 0 HA TYR A 680 17.499 -14.989 2.811 1.00 2.05 H new ATOM 0 HB2 TYR A 680 15.074 -16.754 3.284 1.00 2.63 H new ATOM 0 HB3 TYR A 680 16.758 -17.226 3.398 1.00 2.63 H new ATOM 0 HD1 TYR A 680 18.168 -16.364 5.282 1.00 3.63 H new ATOM 0 HD2 TYR A 680 13.991 -15.553 5.091 1.00 3.37 H new ATOM 0 HE1 TYR A 680 18.189 -15.704 7.648 1.00 4.26 H new ATOM 0 HE2 TYR A 680 14.008 -14.900 7.458 1.00 3.94 H new ATOM 0 HH TYR A 680 15.206 -14.624 9.290 1.00 5.05 H new ATOM 881 N GLY A 681 17.003 -14.925 0.290 1.00 1.41 N ATOM 882 CA GLY A 681 16.857 -15.124 -1.137 1.00 1.29 C ATOM 883 C GLY A 681 16.447 -13.845 -1.837 1.00 1.11 C ATOM 884 O GLY A 681 16.478 -13.753 -3.067 1.00 1.20 O ATOM 0 H GLY A 681 17.673 -14.201 0.552 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.798 -15.482 -1.554 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.111 -15.897 -1.323 1.00 1.29 H new ATOM 888 N LEU A 682 16.063 -12.850 -1.049 1.00 0.95 N ATOM 889 CA LEU A 682 15.663 -11.562 -1.587 1.00 0.84 C ATOM 890 C LEU A 682 16.682 -10.497 -1.211 1.00 0.76 C ATOM 891 O LEU A 682 16.927 -10.249 -0.028 1.00 0.82 O ATOM 892 CB LEU A 682 14.273 -11.146 -1.077 1.00 0.88 C ATOM 893 CG LEU A 682 13.067 -11.908 -1.652 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.112 -11.934 -3.173 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.983 -13.319 -1.092 1.00 1.38 C ATOM 0 H LEU A 682 16.021 -12.913 -0.032 1.00 0.95 H new ATOM 0 HA LEU A 682 15.616 -11.658 -2.672 1.00 0.84 H new ATOM 0 HB2 LEU A 682 14.261 -11.259 0.007 1.00 0.88 H new ATOM 0 HB3 LEU A 682 14.137 -10.085 -1.288 1.00 0.88 H new ATOM 0 HG LEU A 682 12.167 -11.374 -1.347 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.248 -12.479 -3.553 1.00 1.10 H new ATOM 0 HD12 LEU A 682 13.094 -10.913 -3.555 1.00 1.10 H new ATOM 0 HD13 LEU A 682 14.026 -12.429 -3.502 1.00 1.10 H new ATOM 0 HD21 LEU A 682 12.120 -13.829 -1.519 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.891 -13.866 -1.347 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.878 -13.275 -0.008 1.00 1.38 H new ATOM 907 N GLU A 683 17.270 -9.873 -2.221 1.00 0.78 N ATOM 908 CA GLU A 683 18.216 -8.788 -2.003 1.00 0.79 C ATOM 909 C GLU A 683 17.466 -7.502 -1.702 1.00 0.68 C ATOM 910 O GLU A 683 16.641 -7.059 -2.501 1.00 0.78 O ATOM 911 CB GLU A 683 19.118 -8.601 -3.225 1.00 0.99 C ATOM 912 CG GLU A 683 20.123 -9.723 -3.428 1.00 1.48 C ATOM 913 CD GLU A 683 20.938 -9.554 -4.692 1.00 2.22 C ATOM 914 OE1 GLU A 683 21.804 -8.653 -4.728 1.00 2.83 O ATOM 915 OE2 GLU A 683 20.728 -10.322 -5.655 1.00 2.76 O ATOM 0 H GLU A 683 17.108 -10.100 -3.202 1.00 0.78 H new ATOM 0 HA GLU A 683 18.846 -9.042 -1.150 1.00 0.79 H new ATOM 0 HB2 GLU A 683 18.494 -8.520 -4.115 1.00 0.99 H new ATOM 0 HB3 GLU A 683 19.656 -7.658 -3.126 1.00 0.99 H new ATOM 0 HG2 GLU A 683 20.794 -9.764 -2.570 1.00 1.48 H new ATOM 0 HG3 GLU A 683 19.595 -10.676 -3.465 1.00 1.48 H new ATOM 922 N LYS A 684 17.747 -6.913 -0.549 1.00 0.64 N ATOM 923 CA LYS A 684 17.024 -5.729 -0.105 1.00 0.59 C ATOM 924 C LYS A 684 17.290 -4.544 -1.032 1.00 0.52 C ATOM 925 O LYS A 684 18.431 -4.275 -1.426 1.00 0.69 O ATOM 926 CB LYS A 684 17.384 -5.387 1.349 1.00 0.70 C ATOM 927 CG LYS A 684 18.754 -4.745 1.534 1.00 0.85 C ATOM 928 CD LYS A 684 19.230 -4.838 2.979 1.00 0.94 C ATOM 929 CE LYS A 684 18.182 -4.352 3.976 1.00 1.09 C ATOM 930 NZ LYS A 684 17.886 -2.901 3.845 1.00 1.72 N ATOM 0 H LYS A 684 18.469 -7.234 0.096 1.00 0.64 H new ATOM 0 HA LYS A 684 15.957 -5.948 -0.146 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.626 -4.713 1.747 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.343 -6.300 1.943 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.476 -5.234 0.881 1.00 0.85 H new ATOM 0 HG3 LYS A 684 18.709 -3.699 1.232 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.490 -5.872 3.206 1.00 0.94 H new ATOM 0 HD3 LYS A 684 20.139 -4.248 3.097 1.00 0.94 H new ATOM 0 HE2 LYS A 684 17.262 -4.919 3.834 1.00 1.09 H new ATOM 0 HE3 LYS A 684 18.529 -4.557 4.989 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.419 -2.562 4.710 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 18.773 -2.377 3.702 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 17.258 -2.747 3.030 1.00 1.72 H new ATOM 944 N ASP A 685 16.223 -3.854 -1.389 1.00 0.36 N ATOM 945 CA ASP A 685 16.300 -2.718 -2.291 1.00 0.32 C ATOM 946 C ASP A 685 15.116 -1.785 -2.061 1.00 0.27 C ATOM 947 O ASP A 685 13.979 -2.128 -2.387 1.00 0.26 O ATOM 948 CB ASP A 685 16.303 -3.186 -3.746 1.00 0.35 C ATOM 949 CG ASP A 685 16.399 -2.022 -4.704 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.513 -1.486 -4.880 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.366 -1.631 -5.275 1.00 1.68 O ATOM 0 H ASP A 685 15.280 -4.064 -1.063 1.00 0.36 H new ATOM 0 HA ASP A 685 17.228 -2.184 -2.089 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.142 -3.863 -3.909 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.393 -3.751 -3.949 1.00 0.35 H new ATOM 956 N PRO A 686 15.368 -0.595 -1.478 1.00 0.29 N ATOM 957 CA PRO A 686 14.317 0.397 -1.194 1.00 0.29 C ATOM 958 C PRO A 686 13.479 0.766 -2.420 1.00 0.25 C ATOM 959 O PRO A 686 12.290 1.059 -2.302 1.00 0.25 O ATOM 960 CB PRO A 686 15.102 1.620 -0.712 1.00 0.37 C ATOM 961 CG PRO A 686 16.370 1.065 -0.165 1.00 0.42 C ATOM 962 CD PRO A 686 16.696 -0.134 -1.019 1.00 0.37 C ATOM 0 HA PRO A 686 13.597 0.008 -0.474 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.294 2.314 -1.530 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.549 2.170 0.050 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.170 1.804 -0.207 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.253 0.780 0.881 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.341 0.132 -1.856 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.215 -0.905 -0.449 1.00 0.37 H new ATOM 970 N GLN A 687 14.097 0.740 -3.595 1.00 0.25 N ATOM 971 CA GLN A 687 13.420 1.147 -4.821 1.00 0.27 C ATOM 972 C GLN A 687 12.341 0.133 -5.200 1.00 0.23 C ATOM 973 O GLN A 687 11.161 0.486 -5.341 1.00 0.24 O ATOM 974 CB GLN A 687 14.442 1.303 -5.950 1.00 0.35 C ATOM 975 CG GLN A 687 13.895 1.951 -7.214 1.00 0.65 C ATOM 976 CD GLN A 687 13.260 3.302 -6.951 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.940 4.330 -6.925 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.948 3.316 -6.784 1.00 1.23 N ATOM 0 H GLN A 687 15.064 0.442 -3.725 1.00 0.25 H new ATOM 0 HA GLN A 687 12.933 2.108 -4.655 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.279 1.898 -5.585 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.837 0.319 -6.203 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.703 2.068 -7.936 1.00 0.65 H new ATOM 0 HG3 GLN A 687 13.157 1.289 -7.667 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.421 2.443 -6.812 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.463 4.200 -6.627 1.00 1.23 H new ATOM 987 N ARG A 688 12.736 -1.131 -5.314 1.00 0.22 N ATOM 988 CA ARG A 688 11.803 -2.194 -5.662 1.00 0.23 C ATOM 989 C ARG A 688 10.823 -2.417 -4.518 1.00 0.18 C ATOM 990 O ARG A 688 9.662 -2.766 -4.738 1.00 0.20 O ATOM 991 CB ARG A 688 12.550 -3.495 -5.967 1.00 0.29 C ATOM 992 CG ARG A 688 11.640 -4.608 -6.462 1.00 0.70 C ATOM 993 CD ARG A 688 12.397 -5.908 -6.673 1.00 0.78 C ATOM 994 NE ARG A 688 13.452 -5.781 -7.676 1.00 1.67 N ATOM 995 CZ ARG A 688 14.201 -6.797 -8.100 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.017 -8.017 -7.605 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.135 -6.593 -9.018 1.00 3.24 N ATOM 0 H ARG A 688 13.696 -1.443 -5.170 1.00 0.22 H new ATOM 0 HA ARG A 688 11.255 -1.893 -6.555 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.315 -3.299 -6.718 1.00 0.29 H new ATOM 0 HB3 ARG A 688 13.066 -3.830 -5.067 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.838 -4.768 -5.742 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.172 -4.305 -7.398 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.835 -6.228 -5.727 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.699 -6.686 -6.981 1.00 0.78 H new ATOM 0 HE ARG A 688 13.625 -4.859 -8.075 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.300 -8.178 -6.898 1.00 1.85 H new ATOM 0 HH12 ARG A 688 14.593 -8.792 -7.933 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.280 -5.658 -9.399 1.00 3.24 H new ATOM 0 HH22 ARG A 688 15.709 -7.371 -9.343 1.00 3.24 H new ATOM 1011 N SER A 689 11.304 -2.205 -3.297 1.00 0.16 N ATOM 1012 CA SER A 689 10.462 -2.302 -2.117 1.00 0.17 C ATOM 1013 C SER A 689 9.255 -1.382 -2.260 1.00 0.15 C ATOM 1014 O SER A 689 8.118 -1.802 -2.032 1.00 0.16 O ATOM 1015 CB SER A 689 11.254 -1.942 -0.859 1.00 0.21 C ATOM 1016 OG SER A 689 10.490 -2.171 0.311 1.00 1.11 O ATOM 0 H SER A 689 12.276 -1.964 -3.102 1.00 0.16 H new ATOM 0 HA SER A 689 10.115 -3.331 -2.022 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.169 -2.533 -0.821 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.553 -0.895 -0.902 1.00 0.21 H new ATOM 0 HG SER A 689 10.200 -3.107 0.335 1.00 1.11 H new ATOM 1022 N GLY A 690 9.490 -0.139 -2.685 1.00 0.16 N ATOM 1023 CA GLY A 690 8.402 0.796 -2.847 1.00 0.18 C ATOM 1024 C GLY A 690 7.520 0.444 -4.023 1.00 0.17 C ATOM 1025 O GLY A 690 6.315 0.695 -3.999 1.00 0.19 O ATOM 0 H GLY A 690 10.413 0.229 -2.917 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.802 0.814 -1.937 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.804 1.800 -2.984 1.00 0.18 H new ATOM 1029 N ASP A 691 8.115 -0.151 -5.055 1.00 0.17 N ATOM 1030 CA ASP A 691 7.348 -0.601 -6.216 1.00 0.20 C ATOM 1031 C ASP A 691 6.346 -1.660 -5.780 1.00 0.18 C ATOM 1032 O ASP A 691 5.164 -1.600 -6.118 1.00 0.22 O ATOM 1033 CB ASP A 691 8.274 -1.168 -7.302 1.00 0.26 C ATOM 1034 CG ASP A 691 7.532 -1.520 -8.581 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.359 -0.630 -9.443 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.101 -2.688 -8.720 1.00 1.54 O ATOM 0 H ASP A 691 9.117 -0.332 -5.112 1.00 0.17 H new ATOM 0 HA ASP A 691 6.819 0.254 -6.637 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.052 -0.439 -7.527 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.773 -2.058 -6.920 1.00 0.26 H new ATOM 1041 N LEU A 692 6.817 -2.604 -4.982 1.00 0.16 N ATOM 1042 CA LEU A 692 5.972 -3.679 -4.490 1.00 0.16 C ATOM 1043 C LEU A 692 4.966 -3.162 -3.463 1.00 0.15 C ATOM 1044 O LEU A 692 3.831 -3.630 -3.413 1.00 0.16 O ATOM 1045 CB LEU A 692 6.830 -4.790 -3.891 1.00 0.20 C ATOM 1046 CG LEU A 692 7.657 -5.587 -4.899 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.755 -6.367 -4.195 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.758 -6.533 -5.678 1.00 0.73 C ATOM 0 H LEU A 692 7.784 -2.647 -4.660 1.00 0.16 H new ATOM 0 HA LEU A 692 5.410 -4.085 -5.331 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.506 -4.350 -3.157 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.180 -5.479 -3.352 1.00 0.20 H new ATOM 0 HG LEU A 692 8.124 -4.888 -5.593 1.00 0.48 H new ATOM 0 HD11 LEU A 692 9.332 -6.928 -4.931 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.413 -5.675 -3.669 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.309 -7.059 -3.480 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.356 -7.097 -6.394 1.00 0.73 H new ATOM 0 HD22 LEU A 692 6.272 -7.223 -4.989 1.00 0.73 H new ATOM 0 HD23 LEU A 692 6.000 -5.959 -6.211 1.00 0.73 H new ATOM 1060 N TYR A 693 5.374 -2.188 -2.652 1.00 0.15 N ATOM 1061 CA TYR A 693 4.466 -1.598 -1.669 1.00 0.17 C ATOM 1062 C TYR A 693 3.375 -0.769 -2.346 1.00 0.18 C ATOM 1063 O TYR A 693 2.237 -0.734 -1.878 1.00 0.20 O ATOM 1064 CB TYR A 693 5.218 -0.750 -0.633 1.00 0.21 C ATOM 1065 CG TYR A 693 5.665 -1.541 0.581 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.728 -2.161 1.400 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.010 -1.668 0.912 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.117 -2.886 2.510 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.405 -2.394 2.021 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.455 -3.001 2.817 1.00 1.05 C ATOM 1071 OH TYR A 693 6.844 -3.725 3.921 1.00 1.33 O ATOM 0 H TYR A 693 6.315 -1.794 -2.654 1.00 0.15 H new ATOM 0 HA TYR A 693 3.991 -2.425 -1.142 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.091 -0.301 -1.107 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.575 0.068 -0.308 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.678 -2.074 1.164 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.757 -1.193 0.294 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.375 -3.361 3.135 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.453 -2.486 2.263 1.00 0.96 H new ATOM 0 HH TYR A 693 6.197 -4.442 4.087 1.00 1.33 H new ATOM 1081 N THR A 694 3.708 -0.120 -3.457 1.00 0.19 N ATOM 1082 CA THR A 694 2.704 0.630 -4.201 1.00 0.22 C ATOM 1083 C THR A 694 1.776 -0.329 -4.937 1.00 0.20 C ATOM 1084 O THR A 694 0.581 -0.057 -5.097 1.00 0.21 O ATOM 1085 CB THR A 694 3.328 1.642 -5.190 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.404 1.037 -5.911 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.834 2.873 -4.457 1.00 0.31 C ATOM 0 H THR A 694 4.647 -0.098 -3.856 1.00 0.19 H new ATOM 0 HA THR A 694 2.132 1.209 -3.477 1.00 0.22 H new ATOM 0 HB THR A 694 2.552 1.946 -5.892 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.201 1.003 -5.342 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.268 3.570 -5.173 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.005 3.355 -3.939 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.592 2.578 -3.732 1.00 0.31 H new ATOM 1095 N GLN A 695 2.322 -1.469 -5.353 1.00 0.19 N ATOM 1096 CA GLN A 695 1.509 -2.540 -5.910 1.00 0.20 C ATOM 1097 C GLN A 695 0.572 -3.076 -4.836 1.00 0.17 C ATOM 1098 O GLN A 695 -0.617 -3.296 -5.079 1.00 0.18 O ATOM 1099 CB GLN A 695 2.390 -3.674 -6.445 1.00 0.25 C ATOM 1100 CG GLN A 695 3.194 -3.301 -7.677 1.00 0.85 C ATOM 1101 CD GLN A 695 2.312 -2.955 -8.861 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.214 -3.489 -9.005 1.00 2.09 O ATOM 1103 NE2 GLN A 695 2.775 -2.052 -9.710 1.00 2.13 N ATOM 0 H GLN A 695 3.321 -1.672 -5.314 1.00 0.19 H new ATOM 0 HA GLN A 695 0.927 -2.140 -6.740 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.075 -3.990 -5.658 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.759 -4.531 -6.681 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.836 -2.451 -7.445 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.848 -4.130 -7.945 1.00 0.85 H new ATOM 0 HE21 GLN A 695 3.691 -1.631 -9.557 1.00 2.13 H new ATOM 0 HE22 GLN A 695 2.216 -1.777 -10.517 1.00 2.13 H new ATOM 1112 N ALA A 696 1.119 -3.270 -3.640 1.00 0.16 N ATOM 1113 CA ALA A 696 0.342 -3.729 -2.503 1.00 0.16 C ATOM 1114 C ALA A 696 -0.765 -2.745 -2.160 1.00 0.16 C ATOM 1115 O ALA A 696 -1.880 -3.154 -1.849 1.00 0.16 O ATOM 1116 CB ALA A 696 1.237 -3.964 -1.297 1.00 0.18 C ATOM 0 H ALA A 696 2.106 -3.114 -3.436 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.122 -4.676 -2.779 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.633 -4.307 -0.457 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.984 -4.720 -1.540 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.737 -3.033 -1.028 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.477 -1.445 -2.233 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.487 -0.435 -1.958 1.00 0.17 C ATOM 1124 C ALA A 697 -2.568 -0.459 -3.026 1.00 0.16 C ATOM 1125 O ALA A 697 -3.752 -0.275 -2.734 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.855 0.947 -1.882 1.00 0.20 C ATOM 0 H ALA A 697 0.441 -1.074 -2.478 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.943 -0.662 -0.994 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.626 1.689 -1.676 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.112 0.964 -1.084 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.373 1.179 -2.832 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.151 -0.700 -4.264 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.079 -0.829 -5.373 1.00 0.20 C ATOM 1134 C GLU A 698 -4.018 -2.007 -5.114 1.00 0.18 C ATOM 1135 O GLU A 698 -5.237 -1.891 -5.250 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.290 -1.006 -6.680 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.111 -0.871 -7.958 1.00 1.02 C ATOM 1138 CD GLU A 698 -3.593 -2.198 -8.503 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.757 -3.096 -8.733 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -4.817 -2.358 -8.684 1.00 1.40 O ATOM 0 H GLU A 698 -1.170 -0.810 -4.522 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.687 0.071 -5.467 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.487 -0.269 -6.704 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.820 -1.989 -6.671 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.972 -0.232 -7.763 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -2.509 -0.371 -8.717 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.446 -3.121 -4.673 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.231 -4.306 -4.351 1.00 0.18 C ATOM 1149 C ALA A 699 -5.082 -4.074 -3.104 1.00 0.15 C ATOM 1150 O ALA A 699 -6.161 -4.648 -2.958 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.316 -5.503 -4.151 1.00 0.21 C ATOM 0 H ALA A 699 -2.442 -3.228 -4.530 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.901 -4.510 -5.186 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.914 -6.382 -3.911 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.752 -5.687 -5.065 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.625 -5.300 -3.333 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.588 -3.225 -2.212 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.294 -2.907 -0.978 1.00 0.13 C ATOM 1159 C ALA A 700 -6.532 -2.079 -1.264 1.00 0.13 C ATOM 1160 O ALA A 700 -7.608 -2.362 -0.740 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.383 -2.181 -0.004 1.00 0.14 C ATOM 0 H ALA A 700 -3.696 -2.742 -2.321 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.606 -3.845 -0.519 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.933 -1.955 0.909 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.528 -2.813 0.235 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.033 -1.253 -0.456 1.00 0.14 H new ATOM 1167 N MET A 701 -6.387 -1.064 -2.105 1.00 0.15 N ATOM 1168 CA MET A 701 -7.521 -0.228 -2.464 1.00 0.20 C ATOM 1169 C MET A 701 -8.489 -1.000 -3.358 1.00 0.23 C ATOM 1170 O MET A 701 -9.685 -0.718 -3.375 1.00 0.28 O ATOM 1171 CB MET A 701 -7.064 1.068 -3.146 1.00 0.27 C ATOM 1172 CG MET A 701 -6.495 0.880 -4.539 1.00 0.44 C ATOM 1173 SD MET A 701 -6.079 2.444 -5.334 1.00 0.74 S ATOM 1174 CE MET A 701 -5.512 1.863 -6.930 1.00 0.76 C ATOM 0 H MET A 701 -5.505 -0.803 -2.546 1.00 0.15 H new ATOM 0 HA MET A 701 -8.041 0.048 -1.547 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.911 1.752 -3.203 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.310 1.546 -2.521 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.603 0.257 -4.482 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.219 0.345 -5.154 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.889 2.522 -7.712 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.422 1.862 -6.951 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.879 0.851 -7.100 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.973 -1.987 -4.087 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.823 -2.864 -4.889 1.00 0.31 C ATOM 1186 C GLU A 702 -9.592 -3.837 -4.001 1.00 0.29 C ATOM 1187 O GLU A 702 -10.645 -4.342 -4.379 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.990 -3.632 -5.913 1.00 0.42 C ATOM 1189 CG GLU A 702 -7.604 -2.794 -7.118 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.810 -2.358 -7.918 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -9.355 -1.269 -7.643 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -9.230 -3.111 -8.820 1.00 2.58 O ATOM 0 H GLU A 702 -6.977 -2.199 -4.139 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.542 -2.240 -5.420 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.085 -4.003 -5.431 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -8.552 -4.503 -6.249 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.053 -1.914 -6.786 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -6.933 -3.367 -7.758 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.049 -4.104 -2.823 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.738 -4.917 -1.832 1.00 0.32 C ATOM 1201 C ALA A 703 -10.508 -4.027 -0.862 1.00 0.33 C ATOM 1202 O ALA A 703 -10.978 -4.484 0.184 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.748 -5.794 -1.081 1.00 0.39 C ATOM 0 H ALA A 703 -8.131 -3.769 -2.529 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.448 -5.565 -2.346 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.281 -6.395 -0.344 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.237 -6.451 -1.785 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.015 -5.165 -0.575 1.00 0.39 H new ATOM 1209 N MET A 704 -10.609 -2.747 -1.229 1.00 0.33 N ATOM 1210 CA MET A 704 -11.318 -1.740 -0.444 1.00 0.44 C ATOM 1211 C MET A 704 -10.820 -1.701 0.995 1.00 0.41 C ATOM 1212 O MET A 704 -11.600 -1.609 1.939 1.00 0.58 O ATOM 1213 CB MET A 704 -12.832 -1.967 -0.495 1.00 0.61 C ATOM 1214 CG MET A 704 -13.473 -1.543 -1.810 1.00 1.01 C ATOM 1215 SD MET A 704 -12.948 -2.549 -3.210 1.00 2.03 S ATOM 1216 CE MET A 704 -13.621 -1.609 -4.577 1.00 2.61 C ATOM 0 H MET A 704 -10.197 -2.380 -2.087 1.00 0.33 H new ATOM 0 HA MET A 704 -11.107 -0.769 -0.891 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.037 -3.024 -0.326 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.300 -1.416 0.321 1.00 0.61 H new ATOM 0 HG2 MET A 704 -14.557 -1.602 -1.714 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.227 -0.500 -2.007 1.00 1.01 H new ATOM 0 HE1 MET A 704 -13.865 -2.284 -5.397 1.00 2.61 H new ATOM 0 HE2 MET A 704 -14.523 -1.090 -4.253 1.00 2.61 H new ATOM 0 HE3 MET A 704 -12.885 -0.880 -4.914 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.509 -1.788 1.147 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.868 -1.654 2.445 1.00 0.34 C ATOM 1228 C LYS A 705 -8.130 -0.323 2.499 1.00 0.31 C ATOM 1229 O LYS A 705 -6.918 -0.268 2.286 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.887 -2.807 2.681 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.533 -4.183 2.778 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.363 -4.336 4.047 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.855 -4.205 3.775 1.00 1.02 C ATOM 1234 NZ LYS A 705 -11.334 -5.243 2.826 1.00 1.59 N ATOM 0 H LYS A 705 -8.861 -1.953 0.377 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.628 -1.687 3.226 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.159 -2.819 1.870 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.335 -2.614 3.601 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.168 -4.348 1.907 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.758 -4.949 2.757 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -9.161 -5.308 4.497 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.059 -3.580 4.772 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -11.404 -4.288 4.713 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -11.065 -3.216 3.369 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -12.374 -5.243 2.807 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.971 -5.037 1.874 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.993 -6.177 3.132 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.882 0.742 2.771 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.339 2.091 2.756 1.00 0.47 C ATOM 1250 C GLY A 706 -7.127 2.270 3.649 1.00 0.42 C ATOM 1251 O GLY A 706 -6.057 2.636 3.168 1.00 0.40 O ATOM 0 H GLY A 706 -9.874 0.692 3.005 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -8.068 2.353 1.733 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.116 2.789 3.068 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.288 2.001 4.945 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.194 2.161 5.908 1.00 0.47 C ATOM 1257 C ARG A 707 -4.944 1.409 5.460 1.00 0.38 C ATOM 1258 O ARG A 707 -3.829 1.927 5.549 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.626 1.670 7.290 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.549 1.805 8.353 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.048 1.351 9.715 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.998 1.420 10.726 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.211 1.714 12.008 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -6.441 1.961 12.447 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -4.191 1.755 12.856 1.00 3.90 N ATOM 0 H ARG A 707 -8.163 1.672 5.353 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.953 3.223 5.961 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.507 2.230 7.605 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.922 0.624 7.217 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.679 1.213 8.068 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.223 2.843 8.412 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.889 1.974 10.021 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.418 0.328 9.644 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.040 1.231 10.432 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -7.230 1.926 11.801 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -6.596 2.185 13.430 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -3.245 1.562 12.526 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -4.353 1.980 13.838 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.140 0.197 4.958 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.030 -0.626 4.501 1.00 0.30 C ATOM 1281 C LEU A 708 -3.348 0.026 3.310 1.00 0.23 C ATOM 1282 O LEU A 708 -2.125 0.149 3.279 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.507 -2.036 4.129 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.781 -2.990 5.303 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.521 -3.196 6.130 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.918 -2.480 6.179 1.00 1.02 C ATOM 0 H LEU A 708 -6.057 -0.237 4.857 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.314 -0.713 5.318 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.420 -1.945 3.541 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.757 -2.493 3.484 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.086 -3.950 4.887 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.735 -3.874 6.956 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.740 -3.624 5.502 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.184 -2.238 6.525 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.086 -3.178 7.000 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.656 -1.502 6.582 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.827 -2.395 5.583 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.152 0.460 2.345 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.638 1.141 1.165 1.00 0.18 C ATOM 1300 C ALA A 709 -2.835 2.370 1.564 1.00 0.19 C ATOM 1301 O ALA A 709 -1.742 2.606 1.044 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.778 1.520 0.232 1.00 0.21 C ATOM 0 H ALA A 709 -5.166 0.351 2.359 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.973 0.459 0.634 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.377 2.028 -0.645 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.307 0.620 -0.081 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.468 2.184 0.752 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.371 3.135 2.511 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.686 4.321 3.011 1.00 0.29 C ATOM 1310 C ASN A 710 -1.357 3.944 3.655 1.00 0.25 C ATOM 1311 O ASN A 710 -0.319 4.515 3.323 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.555 5.087 4.020 1.00 0.38 C ATOM 1313 CG ASN A 710 -4.667 5.896 3.364 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -5.789 5.422 3.202 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -4.368 7.133 2.985 1.00 1.45 N ATOM 0 H ASN A 710 -4.276 2.955 2.946 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.497 4.972 2.158 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -3.996 4.378 4.721 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -2.921 5.757 4.600 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -5.079 7.718 2.546 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.427 7.498 3.133 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.391 2.975 4.563 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.186 2.539 5.261 1.00 0.26 C ATOM 1324 C GLN A 711 0.880 2.045 4.284 1.00 0.22 C ATOM 1325 O GLN A 711 2.023 2.501 4.325 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.511 1.452 6.290 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.248 1.973 7.518 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.568 0.885 8.532 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -2.565 0.969 9.251 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -0.725 -0.136 8.610 1.00 1.09 N ATOM 0 H GLN A 711 -2.239 2.476 4.833 1.00 0.25 H new ATOM 0 HA GLN A 711 0.216 3.405 5.787 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.117 0.682 5.813 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.417 0.976 6.608 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.642 2.741 7.998 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.176 2.450 7.202 1.00 1.24 H new ATOM 0 HE21 GLN A 711 0.090 -0.172 7.998 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -0.892 -0.885 9.282 1.00 1.09 H new ATOM 1339 N TYR A 712 0.510 1.117 3.407 1.00 0.20 N ATOM 1340 CA TYR A 712 1.453 0.590 2.420 1.00 0.20 C ATOM 1341 C TYR A 712 1.996 1.698 1.519 1.00 0.20 C ATOM 1342 O TYR A 712 3.171 1.681 1.150 1.00 0.21 O ATOM 1343 CB TYR A 712 0.825 -0.512 1.567 1.00 0.22 C ATOM 1344 CG TYR A 712 0.454 -1.753 2.347 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.358 -2.357 3.215 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.798 -2.321 2.208 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.013 -3.497 3.918 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -1.150 -3.455 2.907 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.244 -4.041 3.761 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.596 -5.176 4.453 1.00 0.44 O ATOM 0 H TYR A 712 -0.426 0.716 3.357 1.00 0.20 H new ATOM 0 HA TYR A 712 2.282 0.158 2.981 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.069 -0.118 1.083 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.522 -0.787 0.775 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.342 -1.930 3.342 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.514 -1.867 1.539 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.725 -3.959 4.586 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -2.134 -3.883 2.785 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.568 -5.293 4.417 1.00 0.44 H new ATOM 1360 N TYR A 713 1.156 2.674 1.182 1.00 0.21 N ATOM 1361 CA TYR A 713 1.600 3.793 0.352 1.00 0.25 C ATOM 1362 C TYR A 713 2.588 4.659 1.132 1.00 0.23 C ATOM 1363 O TYR A 713 3.595 5.122 0.588 1.00 0.25 O ATOM 1364 CB TYR A 713 0.404 4.632 -0.120 1.00 0.32 C ATOM 1365 CG TYR A 713 0.761 5.659 -1.171 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.666 7.020 -0.904 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.198 5.268 -2.429 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.996 7.958 -1.862 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.530 6.202 -3.392 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.427 7.545 -3.104 1.00 2.20 C ATOM 1371 OH TYR A 713 1.763 8.478 -4.058 1.00 2.95 O ATOM 0 H TYR A 713 0.177 2.714 1.466 1.00 0.21 H new ATOM 0 HA TYR A 713 2.100 3.394 -0.531 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.361 3.966 -0.520 1.00 0.32 H new ATOM 0 HB3 TYR A 713 -0.034 5.141 0.739 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.329 7.349 0.068 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.280 4.216 -2.659 1.00 0.96 H new ATOM 0 HE1 TYR A 713 0.917 9.012 -1.639 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.869 5.880 -4.366 1.00 1.50 H new ATOM 0 HH TYR A 713 2.048 8.021 -4.877 1.00 2.95 H new ATOM 1381 N GLN A 714 2.309 4.846 2.418 1.00 0.24 N ATOM 1382 CA GLN A 714 3.201 5.590 3.297 1.00 0.28 C ATOM 1383 C GLN A 714 4.507 4.835 3.496 1.00 0.23 C ATOM 1384 O GLN A 714 5.557 5.436 3.715 1.00 0.26 O ATOM 1385 CB GLN A 714 2.538 5.847 4.651 1.00 0.36 C ATOM 1386 CG GLN A 714 3.488 6.403 5.696 1.00 0.65 C ATOM 1387 CD GLN A 714 2.774 6.850 6.948 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.571 6.071 7.879 1.00 1.94 O ATOM 1389 NE2 GLN A 714 2.385 8.112 6.977 1.00 1.98 N ATOM 0 H GLN A 714 1.469 4.491 2.875 1.00 0.24 H new ATOM 0 HA GLN A 714 3.415 6.549 2.825 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.712 6.545 4.515 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.111 4.915 5.020 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.225 5.642 5.954 1.00 0.65 H new ATOM 0 HG3 GLN A 714 4.035 7.246 5.273 1.00 0.65 H new ATOM 0 HE21 GLN A 714 2.575 8.722 6.182 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.895 8.476 7.794 1.00 1.98 H new ATOM 1398 N LYS A 715 4.450 3.520 3.357 1.00 0.21 N ATOM 1399 CA LYS A 715 5.630 2.704 3.560 1.00 0.22 C ATOM 1400 C LYS A 715 6.451 2.718 2.281 1.00 0.20 C ATOM 1401 O LYS A 715 7.677 2.652 2.312 1.00 0.23 O ATOM 1402 CB LYS A 715 5.251 1.269 3.957 1.00 0.27 C ATOM 1403 CG LYS A 715 6.437 0.315 4.065 1.00 0.61 C ATOM 1404 CD LYS A 715 7.470 0.733 5.115 1.00 0.86 C ATOM 1405 CE LYS A 715 6.931 0.650 6.540 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.217 1.886 6.957 1.00 1.67 N ATOM 0 H LYS A 715 3.608 3.002 3.107 1.00 0.21 H new ATOM 0 HA LYS A 715 6.220 3.114 4.380 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.731 1.294 4.915 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.548 0.875 3.223 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.069 -0.682 4.307 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.927 0.247 3.094 1.00 0.61 H new ATOM 0 HD2 LYS A 715 8.350 0.096 5.026 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.794 1.754 4.913 1.00 0.86 H new ATOM 0 HE2 LYS A 715 6.253 -0.200 6.619 1.00 1.16 H new ATOM 0 HE3 LYS A 715 7.757 0.464 7.226 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 5.464 1.641 7.632 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.888 2.539 7.409 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 5.798 2.344 6.122 1.00 1.67 H new ATOM 1420 N ALA A 716 5.753 2.831 1.155 1.00 0.17 N ATOM 1421 CA ALA A 716 6.403 2.999 -0.130 1.00 0.18 C ATOM 1422 C ALA A 716 7.167 4.311 -0.158 1.00 0.21 C ATOM 1423 O ALA A 716 8.348 4.352 -0.521 1.00 0.25 O ATOM 1424 CB ALA A 716 5.375 2.961 -1.252 1.00 0.21 C ATOM 0 H ALA A 716 4.734 2.809 1.112 1.00 0.17 H new ATOM 0 HA ALA A 716 7.106 2.179 -0.278 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.878 3.088 -2.211 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.857 2.002 -1.239 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.653 3.765 -1.111 1.00 0.21 H new ATOM 1430 N GLU A 717 6.495 5.386 0.247 1.00 0.24 N ATOM 1431 CA GLU A 717 7.132 6.688 0.309 1.00 0.32 C ATOM 1432 C GLU A 717 8.245 6.674 1.348 1.00 0.31 C ATOM 1433 O GLU A 717 9.303 7.242 1.126 1.00 0.33 O ATOM 1434 CB GLU A 717 6.111 7.784 0.626 1.00 0.45 C ATOM 1435 CG GLU A 717 6.705 9.186 0.662 1.00 1.26 C ATOM 1436 CD GLU A 717 7.418 9.562 -0.626 1.00 1.60 C ATOM 1437 OE1 GLU A 717 8.590 9.974 -0.564 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.814 9.421 -1.714 1.00 2.04 O ATOM 0 H GLU A 717 5.516 5.377 0.534 1.00 0.24 H new ATOM 0 HA GLU A 717 7.564 6.908 -0.667 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.317 7.755 -0.120 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.650 7.570 1.590 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.910 9.907 0.854 1.00 1.26 H new ATOM 0 HG3 GLU A 717 7.407 9.256 1.493 1.00 1.26 H new ATOM 1445 N GLU A 718 8.006 6.009 2.475 1.00 0.31 N ATOM 1446 CA GLU A 718 9.026 5.866 3.508 1.00 0.36 C ATOM 1447 C GLU A 718 10.263 5.177 2.944 1.00 0.33 C ATOM 1448 O GLU A 718 11.389 5.612 3.182 1.00 0.36 O ATOM 1449 CB GLU A 718 8.488 5.058 4.688 1.00 0.43 C ATOM 1450 CG GLU A 718 9.458 4.957 5.854 1.00 1.06 C ATOM 1451 CD GLU A 718 9.006 3.959 6.896 1.00 1.46 C ATOM 1452 OE1 GLU A 718 9.828 3.130 7.332 1.00 1.75 O ATOM 1453 OE2 GLU A 718 7.819 3.987 7.281 1.00 2.20 O ATOM 0 H GLU A 718 7.116 5.562 2.695 1.00 0.31 H new ATOM 0 HA GLU A 718 9.297 6.864 3.854 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.561 5.514 5.037 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.240 4.053 4.346 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.441 4.669 5.481 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.568 5.937 6.318 1.00 1.06 H new ATOM 1460 N ALA A 719 10.041 4.102 2.198 1.00 0.28 N ATOM 1461 CA ALA A 719 11.127 3.356 1.581 1.00 0.29 C ATOM 1462 C ALA A 719 11.968 4.259 0.690 1.00 0.30 C ATOM 1463 O ALA A 719 13.196 4.275 0.794 1.00 0.37 O ATOM 1464 CB ALA A 719 10.580 2.179 0.783 1.00 0.28 C ATOM 0 H ALA A 719 9.112 3.727 2.006 1.00 0.28 H new ATOM 0 HA ALA A 719 11.767 2.970 2.374 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.406 1.632 0.328 1.00 0.28 H new ATOM 0 HB2 ALA A 719 10.027 1.515 1.447 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.915 2.547 0.002 1.00 0.28 H new ATOM 1470 N TRP A 720 11.303 5.028 -0.164 1.00 0.26 N ATOM 1471 CA TRP A 720 12.001 5.915 -1.092 1.00 0.28 C ATOM 1472 C TRP A 720 12.567 7.147 -0.386 1.00 0.33 C ATOM 1473 O TRP A 720 13.621 7.653 -0.765 1.00 0.36 O ATOM 1474 CB TRP A 720 11.076 6.351 -2.233 1.00 0.29 C ATOM 1475 CG TRP A 720 10.623 5.219 -3.112 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.284 4.044 -3.340 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.421 5.162 -3.896 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.564 3.260 -4.207 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.421 3.924 -4.565 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.345 6.035 -4.097 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.392 3.538 -5.419 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.324 5.649 -4.944 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.352 4.411 -5.596 1.00 0.45 C ATOM 0 H TRP A 720 10.286 5.057 -0.235 1.00 0.26 H new ATOM 0 HA TRP A 720 12.835 5.348 -1.505 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.200 6.844 -1.810 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.593 7.090 -2.845 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.233 3.772 -2.902 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.836 2.332 -4.532 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.314 6.993 -3.599 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.413 2.584 -5.924 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.489 6.315 -5.106 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.538 4.139 -6.251 1.00 0.45 H new ATOM 1494 N ALA A 721 11.864 7.643 0.622 1.00 0.39 N ATOM 1495 CA ALA A 721 12.294 8.836 1.339 1.00 0.49 C ATOM 1496 C ALA A 721 13.477 8.545 2.249 1.00 0.57 C ATOM 1497 O ALA A 721 14.351 9.393 2.432 1.00 0.64 O ATOM 1498 CB ALA A 721 11.145 9.421 2.146 1.00 0.58 C ATOM 0 H ALA A 721 10.992 7.238 0.963 1.00 0.39 H new ATOM 0 HA ALA A 721 12.612 9.567 0.595 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.487 10.311 2.674 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.328 9.688 1.475 1.00 0.58 H new ATOM 0 HB3 ALA A 721 10.795 8.683 2.868 1.00 0.58 H new ATOM 1504 N GLN A 722 13.501 7.353 2.828 1.00 0.64 N ATOM 1505 CA GLN A 722 14.564 6.992 3.748 1.00 0.84 C ATOM 1506 C GLN A 722 15.785 6.473 2.999 1.00 0.87 C ATOM 1507 O GLN A 722 16.847 7.086 3.064 1.00 1.25 O ATOM 1508 CB GLN A 722 14.059 5.933 4.731 1.00 1.18 C ATOM 1509 CG GLN A 722 15.082 5.523 5.777 1.00 1.44 C ATOM 1510 CD GLN A 722 14.550 4.475 6.737 1.00 1.91 C ATOM 1511 OE1 GLN A 722 13.647 3.626 6.266 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 14.949 4.426 7.896 1.00 2.33 N flip ATOM 0 H GLN A 722 12.801 6.626 2.677 1.00 0.64 H new ATOM 0 HA GLN A 722 14.861 7.885 4.298 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.171 6.314 5.236 1.00 1.18 H new ATOM 0 HB3 GLN A 722 13.753 5.049 4.171 1.00 1.18 H new ATOM 0 HG2 GLN A 722 15.970 5.135 5.278 1.00 1.44 H new ATOM 0 HG3 GLN A 722 15.392 6.403 6.341 1.00 1.44 H new ATOM 0 HE21 GLN A 722 15.645 5.096 8.225 1.00 2.33 H new ATOM 0 HE22 GLN A 722 14.585 3.716 8.531 1.00 2.33 H new ATOM 1521 N MET A 723 15.603 5.386 2.239 1.00 0.99 N ATOM 1522 CA MET A 723 16.705 4.716 1.527 1.00 1.31 C ATOM 1523 C MET A 723 17.985 4.685 2.361 1.00 1.98 C ATOM 1524 O MET A 723 19.072 4.969 1.860 1.00 2.42 O ATOM 1525 CB MET A 723 16.980 5.391 0.176 1.00 1.25 C ATOM 1526 CG MET A 723 15.842 5.255 -0.821 1.00 0.96 C ATOM 1527 SD MET A 723 16.260 5.903 -2.452 1.00 1.60 S ATOM 1528 CE MET A 723 16.593 7.616 -2.050 1.00 2.19 C ATOM 0 H MET A 723 14.694 4.946 2.099 1.00 0.99 H new ATOM 0 HA MET A 723 16.389 3.688 1.352 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.179 6.449 0.343 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.883 4.961 -0.257 1.00 1.25 H new ATOM 0 HG2 MET A 723 15.568 4.204 -0.912 1.00 0.96 H new ATOM 0 HG3 MET A 723 14.966 5.780 -0.440 1.00 0.96 H new ATOM 0 HE1 MET A 723 16.199 8.258 -2.838 1.00 2.19 H new ATOM 0 HE2 MET A 723 16.114 7.867 -1.104 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.669 7.767 -1.963 1.00 2.19 H new ATOM 1538 N GLU A 724 17.846 4.336 3.633 1.00 2.33 N ATOM 1539 CA GLU A 724 18.969 4.343 4.559 1.00 3.03 C ATOM 1540 C GLU A 724 18.929 3.127 5.472 1.00 3.35 C ATOM 1541 O GLU A 724 18.618 3.238 6.659 1.00 3.82 O ATOM 1542 CB GLU A 724 18.963 5.622 5.401 1.00 3.31 C ATOM 1543 CG GLU A 724 19.519 6.840 4.683 1.00 3.60 C ATOM 1544 CD GLU A 724 21.005 6.730 4.423 1.00 4.24 C ATOM 1545 OE1 GLU A 724 21.393 6.521 3.256 1.00 4.88 O ATOM 1546 OE2 GLU A 724 21.795 6.844 5.383 1.00 4.47 O ATOM 0 H GLU A 724 16.962 4.043 4.048 1.00 2.33 H new ATOM 0 HA GLU A 724 19.886 4.308 3.971 1.00 3.03 H new ATOM 0 HB2 GLU A 724 17.941 5.833 5.714 1.00 3.31 H new ATOM 0 HB3 GLU A 724 19.545 5.451 6.307 1.00 3.31 H new ATOM 0 HG2 GLU A 724 18.996 6.969 3.735 1.00 3.60 H new ATOM 0 HG3 GLU A 724 19.323 7.731 5.280 1.00 3.60 H new ATOM 1553 N GLU A 725 19.225 1.968 4.913 1.00 3.48 N ATOM 1554 CA GLU A 725 19.316 0.752 5.700 1.00 4.01 C ATOM 1555 C GLU A 725 20.321 -0.197 5.057 1.00 4.63 C ATOM 1556 O GLU A 725 19.901 -1.152 4.368 1.00 5.05 O ATOM 1557 CB GLU A 725 17.946 0.079 5.827 1.00 4.09 C ATOM 1558 CG GLU A 725 17.921 -1.020 6.878 1.00 4.80 C ATOM 1559 CD GLU A 725 16.606 -1.765 6.926 1.00 5.11 C ATOM 1560 OE1 GLU A 725 15.786 -1.458 7.815 1.00 5.31 O ATOM 1561 OE2 GLU A 725 16.375 -2.632 6.056 1.00 5.52 O ATOM 1562 OXT GLU A 725 21.534 0.038 5.217 1.00 5.02 O ATOM 0 H GLU A 725 19.406 1.843 3.917 1.00 3.48 H new ATOM 0 HA GLU A 725 19.655 1.007 6.704 1.00 4.01 H new ATOM 0 HB2 GLU A 725 17.199 0.832 6.078 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.663 -0.342 4.862 1.00 4.09 H new ATOM 0 HG2 GLU A 725 18.725 -1.727 6.675 1.00 4.80 H new ATOM 0 HG3 GLU A 725 18.120 -0.583 7.857 1.00 4.80 H new TER 1569 GLU A 725