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 641 TYR OH : rot 41:sc= -0.718! USER MOD Set 1.2: A 714 GLN :FLIP amide:sc= 0 F(o=-1.6,f=-0.72) USER MOD Set 2.1: A 659 MET CE :methyl -139:sc= -0.127 (180deg=-0.446) USER MOD Set 2.2: A 665 TYR OH : rot 180:sc= -0.944 USER MOD Set 3.1: A 650 CYS SG : rot -96:sc= -0.305 USER MOD Set 3.2: A 710 ASN : amide:sc= -0.985 K(o=-1.3,f=-4!) USER MOD Single : A 624 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 625 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.046) USER MOD Single : A 626 MET CE :methyl -170:sc= -1.67 (180deg=-1.91) USER MOD Single : A 627 SER OG : rot 180:sc= 0 USER MOD Single : A 631 CYS SG : rot -65:sc= 0.124 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) USER MOD Single : A 642 ASN : amide:sc= -0.057 X(o=-0.057,f=-0.027) USER MOD Single : A 643 THR OG1 : rot 180:sc= 0 USER MOD Single : A 647 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 648 THR OG1 : rot -76:sc= 1.25 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 167:sc= -0.33 (180deg=-0.756) USER MOD Single : A 674 MET CE :methyl -178:sc= -0.392 (180deg=-0.4) USER MOD Single : A 677 THR OG1 : rot -124:sc= 1.28 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.75) USER MOD Single : A 687 GLN :FLIP amide:sc= -0.437 F(o=-1.5!,f=-0.44) USER MOD Single : A 689 SER OG : rot 64:sc= 0.24 USER MOD Single : A 693 TYR OH : rot 180:sc= 0 USER MOD Single : A 694 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 695 GLN : amide:sc= -0.864 X(o=-0.86,f=-0.42) USER MOD Single : A 701 MET CE :methyl 138:sc= -0.0523 (180deg=-2.54) USER MOD Single : A 704 MET CE :methyl -165:sc= -0.0467 (180deg=-0.354) USER MOD Single : A 705 LYS NZ :NH3+ -154:sc= 2.85 (180deg=1.41) USER MOD Single : A 711 GLN :FLIP amide:sc=-0.00143 F(o=-1,f=-0.0014) USER MOD Single : A 712 TYR OH : rot 180:sc= 0 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 715 LYS NZ :NH3+ 168:sc= -0.0198 (180deg=-0.207) USER MOD Single : A 722 GLN :FLIP amide:sc= 0.323 F(o=-0.98,f=0.32) USER MOD Single : A 723 MET CE :methyl -151:sc= -0.0238 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -15.447 -9.971 11.874 1.00 15.53 N ATOM 2 CA GLY A 623 -16.611 -9.527 11.075 1.00 15.09 C ATOM 3 C GLY A 623 -16.371 -8.177 10.442 1.00 14.39 C ATOM 4 O GLY A 623 -15.455 -7.456 10.841 1.00 14.22 O ATOM 0 HA2 GLY A 623 -16.820 -10.262 10.297 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -17.493 -9.478 11.713 1.00 15.09 H new ATOM 10 N SER A 624 -17.195 -7.822 9.469 1.00 14.14 N ATOM 11 CA SER A 624 -17.039 -6.567 8.756 1.00 13.65 C ATOM 12 C SER A 624 -17.676 -5.413 9.526 1.00 12.93 C ATOM 13 O SER A 624 -18.653 -4.809 9.082 1.00 12.90 O ATOM 14 CB SER A 624 -17.640 -6.690 7.356 1.00 13.94 C ATOM 15 OG SER A 624 -18.904 -7.330 7.397 1.00 14.35 O ATOM 0 H SER A 624 -17.982 -8.389 9.155 1.00 14.14 H new ATOM 0 HA SER A 624 -15.975 -6.348 8.664 1.00 13.65 H new ATOM 0 HB2 SER A 624 -17.745 -5.699 6.914 1.00 13.94 H new ATOM 0 HB3 SER A 624 -16.963 -7.255 6.715 1.00 13.94 H new ATOM 0 HG SER A 624 -19.268 -7.395 6.489 1.00 14.35 H new ATOM 21 N HIS A 625 -17.111 -5.115 10.689 1.00 12.51 N ATOM 22 CA HIS A 625 -17.595 -4.025 11.528 1.00 11.96 C ATOM 23 C HIS A 625 -17.060 -2.691 11.020 1.00 11.32 C ATOM 24 O HIS A 625 -17.520 -1.625 11.429 1.00 11.18 O ATOM 25 CB HIS A 625 -17.164 -4.250 12.982 1.00 11.96 C ATOM 26 CG HIS A 625 -17.672 -3.214 13.945 1.00 12.45 C ATOM 27 ND1 HIS A 625 -16.841 -2.358 14.637 1.00 12.80 N ATOM 28 CD2 HIS A 625 -18.933 -2.900 14.329 1.00 12.83 C ATOM 29 CE1 HIS A 625 -17.568 -1.563 15.401 1.00 13.34 C ATOM 30 NE2 HIS A 625 -18.839 -1.872 15.232 1.00 13.37 N ATOM 0 H HIS A 625 -16.311 -5.617 11.075 1.00 12.51 H new ATOM 0 HA HIS A 625 -18.684 -4.003 11.483 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -17.513 -5.231 13.304 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -16.075 -4.268 13.027 1.00 11.96 H new ATOM 0 HD2 HIS A 625 -19.843 -3.371 13.988 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -17.187 -0.791 16.053 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -19.625 -1.419 15.698 1.00 13.37 H new ATOM 39 N MET A 626 -16.086 -2.759 10.126 1.00 11.11 N ATOM 40 CA MET A 626 -15.482 -1.564 9.564 1.00 10.60 C ATOM 41 C MET A 626 -15.491 -1.626 8.047 1.00 9.72 C ATOM 42 O MET A 626 -14.457 -1.842 7.415 1.00 9.78 O ATOM 43 CB MET A 626 -14.052 -1.385 10.079 1.00 11.28 C ATOM 44 CG MET A 626 -13.978 -0.924 11.524 1.00 11.91 C ATOM 45 SD MET A 626 -14.844 0.635 11.798 1.00 12.79 S ATOM 46 CE MET A 626 -13.999 1.699 10.629 1.00 13.30 C ATOM 0 H MET A 626 -15.697 -3.633 9.774 1.00 11.11 H new ATOM 0 HA MET A 626 -16.072 -0.704 9.881 1.00 10.60 H new ATOM 0 HB2 MET A 626 -13.519 -2.330 9.981 1.00 11.28 H new ATOM 0 HB3 MET A 626 -13.536 -0.661 9.449 1.00 11.28 H new ATOM 0 HG2 MET A 626 -14.406 -1.692 12.169 1.00 11.91 H new ATOM 0 HG3 MET A 626 -12.933 -0.811 11.813 1.00 11.91 H new ATOM 0 HE1 MET A 626 -14.294 2.734 10.800 1.00 13.30 H new ATOM 0 HE2 MET A 626 -12.921 1.602 10.762 1.00 13.30 H new ATOM 0 HE3 MET A 626 -14.267 1.408 9.613 1.00 13.30 H new ATOM 56 N SER A 627 -16.669 -1.452 7.469 1.00 9.08 N ATOM 57 CA SER A 627 -16.802 -1.424 6.023 1.00 8.35 C ATOM 58 C SER A 627 -16.198 -0.134 5.482 1.00 7.32 C ATOM 59 O SER A 627 -16.372 0.931 6.075 1.00 7.21 O ATOM 60 CB SER A 627 -18.275 -1.542 5.615 1.00 8.70 C ATOM 61 OG SER A 627 -19.065 -0.544 6.243 1.00 9.26 O ATOM 0 H SER A 627 -17.544 -1.328 7.978 1.00 9.08 H new ATOM 0 HA SER A 627 -16.267 -2.274 5.599 1.00 8.35 H new ATOM 0 HB2 SER A 627 -18.363 -1.451 4.532 1.00 8.70 H new ATOM 0 HB3 SER A 627 -18.651 -2.529 5.884 1.00 8.70 H new ATOM 0 HG SER A 627 -19.999 -0.642 5.963 1.00 9.26 H new ATOM 67 N PRO A 628 -15.465 -0.215 4.362 1.00 6.76 N ATOM 68 CA PRO A 628 -14.805 0.943 3.751 1.00 5.93 C ATOM 69 C PRO A 628 -15.793 1.882 3.062 1.00 5.48 C ATOM 70 O PRO A 628 -15.720 2.110 1.851 1.00 5.24 O ATOM 71 CB PRO A 628 -13.864 0.306 2.730 1.00 5.90 C ATOM 72 CG PRO A 628 -14.525 -0.971 2.362 1.00 6.58 C ATOM 73 CD PRO A 628 -15.210 -1.454 3.609 1.00 7.14 C ATOM 0 HA PRO A 628 -14.299 1.565 4.490 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -13.729 0.948 1.860 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -12.875 0.133 3.155 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -15.242 -0.821 1.555 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -13.796 -1.701 2.009 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -16.136 -1.982 3.380 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -14.580 -2.143 4.172 1.00 7.14 H new ATOM 81 N ASP A 629 -16.721 2.414 3.840 1.00 5.68 N ATOM 82 CA ASP A 629 -17.689 3.376 3.332 1.00 5.52 C ATOM 83 C ASP A 629 -16.993 4.693 3.040 1.00 4.87 C ATOM 84 O ASP A 629 -17.350 5.411 2.105 1.00 4.76 O ATOM 85 CB ASP A 629 -18.828 3.589 4.332 1.00 6.23 C ATOM 86 CG ASP A 629 -19.882 4.538 3.804 1.00 6.68 C ATOM 87 OD1 ASP A 629 -19.912 5.710 4.237 1.00 7.07 O ATOM 88 OD2 ASP A 629 -20.691 4.113 2.953 1.00 6.91 O ATOM 0 H ASP A 629 -16.826 2.196 4.831 1.00 5.68 H new ATOM 0 HA ASP A 629 -18.120 2.982 2.411 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -19.289 2.629 4.564 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -18.422 3.982 5.264 1.00 6.23 H new ATOM 93 N ARG A 630 -15.976 4.988 3.835 1.00 4.79 N ATOM 94 CA ARG A 630 -15.137 6.156 3.619 1.00 4.57 C ATOM 95 C ARG A 630 -14.062 5.849 2.572 1.00 4.10 C ATOM 96 O ARG A 630 -12.895 6.209 2.728 1.00 4.34 O ATOM 97 CB ARG A 630 -14.496 6.604 4.938 1.00 5.38 C ATOM 98 CG ARG A 630 -13.581 5.562 5.571 1.00 5.89 C ATOM 99 CD ARG A 630 -13.005 6.050 6.890 1.00 6.81 C ATOM 100 NE ARG A 630 -12.213 7.267 6.724 1.00 7.37 N ATOM 101 CZ ARG A 630 -11.618 7.921 7.723 1.00 8.27 C ATOM 102 NH1 ARG A 630 -11.789 7.530 8.977 1.00 8.70 N ATOM 103 NH2 ARG A 630 -10.869 8.984 7.466 1.00 8.95 N ATOM 0 H ARG A 630 -15.710 4.427 4.644 1.00 4.79 H new ATOM 0 HA ARG A 630 -15.759 6.970 3.247 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -13.924 7.515 4.761 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -15.285 6.857 5.646 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -14.138 4.640 5.736 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -12.769 5.325 4.884 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -13.817 6.239 7.593 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -12.382 5.268 7.325 1.00 6.81 H new ATOM 0 HE ARG A 630 -12.108 7.641 5.781 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -12.379 6.724 9.184 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -11.331 8.035 9.736 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -10.748 9.302 6.504 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -10.414 9.484 8.230 1.00 8.95 H new ATOM 117 N CYS A 631 -14.470 5.180 1.500 1.00 3.77 N ATOM 118 CA CYS A 631 -13.556 4.796 0.430 1.00 3.49 C ATOM 119 C CYS A 631 -12.902 6.019 -0.208 1.00 3.17 C ATOM 120 O CYS A 631 -11.812 5.927 -0.764 1.00 3.32 O ATOM 121 CB CYS A 631 -14.295 3.970 -0.628 1.00 3.72 C ATOM 122 SG CYS A 631 -15.896 4.653 -1.114 1.00 4.38 S ATOM 0 H CYS A 631 -15.436 4.890 1.348 1.00 3.77 H new ATOM 0 HA CYS A 631 -12.765 4.185 0.866 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -13.664 3.886 -1.513 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -14.444 2.960 -0.246 1.00 3.72 H new ATOM 0 HG CYS A 631 -16.707 4.622 -0.099 1.00 4.38 H new ATOM 128 N GLN A 632 -13.561 7.166 -0.100 1.00 3.10 N ATOM 129 CA GLN A 632 -13.028 8.423 -0.619 1.00 3.01 C ATOM 130 C GLN A 632 -11.637 8.715 -0.054 1.00 2.97 C ATOM 131 O GLN A 632 -10.820 9.376 -0.700 1.00 2.93 O ATOM 132 CB GLN A 632 -13.971 9.577 -0.271 1.00 3.40 C ATOM 133 CG GLN A 632 -14.120 9.813 1.227 1.00 3.70 C ATOM 134 CD GLN A 632 -15.072 10.943 1.550 1.00 4.22 C ATOM 135 OE1 GLN A 632 -14.668 12.100 1.663 1.00 4.67 O ATOM 136 NE2 GLN A 632 -16.343 10.619 1.700 1.00 4.57 N ATOM 0 H GLN A 632 -14.474 7.253 0.346 1.00 3.10 H new ATOM 0 HA GLN A 632 -12.947 8.327 -1.702 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -13.603 10.490 -0.739 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -14.953 9.374 -0.698 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -14.475 8.898 1.701 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -13.142 10.034 1.654 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -16.637 9.648 1.598 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -17.031 11.340 1.918 1.00 4.57 H new ATOM 145 N ASP A 633 -11.375 8.201 1.145 1.00 3.23 N ATOM 146 CA ASP A 633 -10.143 8.498 1.862 1.00 3.48 C ATOM 147 C ASP A 633 -8.904 8.003 1.136 1.00 3.00 C ATOM 148 O ASP A 633 -7.934 8.740 1.025 1.00 3.13 O ATOM 149 CB ASP A 633 -10.170 7.915 3.275 1.00 4.11 C ATOM 150 CG ASP A 633 -10.897 8.804 4.260 1.00 4.69 C ATOM 151 OD1 ASP A 633 -12.121 8.656 4.415 1.00 5.22 O ATOM 152 OD2 ASP A 633 -10.237 9.641 4.911 1.00 4.94 O ATOM 0 H ASP A 633 -12.006 7.572 1.642 1.00 3.23 H new ATOM 0 HA ASP A 633 -10.086 9.585 1.917 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -10.651 6.937 3.251 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -9.147 7.759 3.619 1.00 4.11 H new ATOM 157 N TRP A 634 -8.921 6.773 0.624 1.00 2.60 N ATOM 158 CA TRP A 634 -7.697 6.204 0.070 1.00 2.30 C ATOM 159 C TRP A 634 -7.298 6.893 -1.229 1.00 1.84 C ATOM 160 O TRP A 634 -6.108 6.998 -1.538 1.00 1.69 O ATOM 161 CB TRP A 634 -7.761 4.674 -0.098 1.00 2.47 C ATOM 162 CG TRP A 634 -8.912 4.130 -0.901 1.00 2.40 C ATOM 163 CD1 TRP A 634 -10.061 3.581 -0.405 1.00 2.72 C ATOM 164 CD2 TRP A 634 -9.007 4.028 -2.332 1.00 2.37 C ATOM 165 NE1 TRP A 634 -10.867 3.161 -1.434 1.00 2.82 N ATOM 166 CE2 TRP A 634 -10.246 3.425 -2.625 1.00 2.72 C ATOM 167 CE3 TRP A 634 -8.173 4.397 -3.393 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -10.667 3.180 -3.930 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -8.593 4.152 -4.688 1.00 2.88 C ATOM 170 CH2 TRP A 634 -9.828 3.549 -4.946 1.00 3.28 C ATOM 0 H TRP A 634 -9.742 6.169 0.582 1.00 2.60 H new ATOM 0 HA TRP A 634 -6.915 6.395 0.805 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -6.834 4.344 -0.566 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -7.795 4.224 0.894 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -10.300 3.491 0.644 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -11.782 2.723 -1.328 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -7.218 4.865 -3.204 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -11.621 2.716 -4.133 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -7.956 4.431 -5.514 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -10.126 3.371 -5.969 1.00 3.28 H new ATOM 181 N LEU A 635 -8.283 7.396 -1.966 1.00 1.89 N ATOM 182 CA LEU A 635 -7.998 8.173 -3.167 1.00 2.05 C ATOM 183 C LEU A 635 -7.180 9.397 -2.794 1.00 2.36 C ATOM 184 O LEU A 635 -6.159 9.691 -3.413 1.00 2.50 O ATOM 185 CB LEU A 635 -9.281 8.625 -3.876 1.00 2.45 C ATOM 186 CG LEU A 635 -10.105 7.527 -4.550 1.00 2.54 C ATOM 187 CD1 LEU A 635 -11.010 6.834 -3.550 1.00 2.83 C ATOM 188 CD2 LEU A 635 -10.923 8.107 -5.692 1.00 3.12 C ATOM 0 H LEU A 635 -9.275 7.282 -1.756 1.00 1.89 H new ATOM 0 HA LEU A 635 -7.442 7.532 -3.851 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -9.915 9.130 -3.147 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -9.013 9.364 -4.631 1.00 2.45 H new ATOM 0 HG LEU A 635 -9.416 6.785 -4.953 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -11.584 6.058 -4.056 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -10.405 6.383 -2.763 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -11.692 7.562 -3.111 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -11.504 7.314 -6.162 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -11.597 8.871 -5.305 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -10.255 8.553 -6.429 1.00 3.12 H new ATOM 200 N GLU A 636 -7.627 10.081 -1.752 1.00 2.71 N ATOM 201 CA GLU A 636 -6.965 11.283 -1.279 1.00 3.25 C ATOM 202 C GLU A 636 -5.663 10.938 -0.568 1.00 3.07 C ATOM 203 O GLU A 636 -4.650 11.603 -0.753 1.00 3.33 O ATOM 204 CB GLU A 636 -7.887 12.058 -0.339 1.00 3.85 C ATOM 205 CG GLU A 636 -9.199 12.472 -0.980 1.00 4.37 C ATOM 206 CD GLU A 636 -9.001 13.181 -2.303 1.00 4.88 C ATOM 207 OE1 GLU A 636 -9.384 12.614 -3.348 1.00 5.12 O ATOM 208 OE2 GLU A 636 -8.458 14.307 -2.307 1.00 5.37 O ATOM 0 H GLU A 636 -8.454 9.819 -1.215 1.00 2.71 H new ATOM 0 HA GLU A 636 -6.732 11.907 -2.141 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -8.098 11.445 0.537 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -7.367 12.949 0.013 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -9.819 11.589 -1.134 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -9.742 13.127 -0.298 1.00 4.37 H new ATOM 215 N ALA A 637 -5.699 9.884 0.233 1.00 2.79 N ATOM 216 CA ALA A 637 -4.531 9.452 0.987 1.00 2.78 C ATOM 217 C ALA A 637 -3.366 9.131 0.062 1.00 2.28 C ATOM 218 O ALA A 637 -2.237 9.530 0.322 1.00 2.44 O ATOM 219 CB ALA A 637 -4.869 8.249 1.852 1.00 2.89 C ATOM 0 H ALA A 637 -6.529 9.309 0.378 1.00 2.79 H new ATOM 0 HA ALA A 637 -4.229 10.274 1.636 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -3.984 7.940 2.408 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -5.662 8.515 2.551 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -5.204 7.428 1.218 1.00 2.89 H new ATOM 225 N LEU A 638 -3.643 8.428 -1.029 1.00 1.83 N ATOM 226 CA LEU A 638 -2.601 8.102 -1.998 1.00 1.65 C ATOM 227 C LEU A 638 -2.277 9.301 -2.887 1.00 2.09 C ATOM 228 O LEU A 638 -1.285 9.297 -3.611 1.00 2.25 O ATOM 229 CB LEU A 638 -3.003 6.899 -2.860 1.00 1.61 C ATOM 230 CG LEU A 638 -2.572 5.527 -2.323 1.00 1.61 C ATOM 231 CD1 LEU A 638 -3.257 5.209 -1.003 1.00 2.00 C ATOM 232 CD2 LEU A 638 -2.857 4.439 -3.347 1.00 1.99 C ATOM 0 H LEU A 638 -4.570 8.075 -1.265 1.00 1.83 H new ATOM 0 HA LEU A 638 -1.705 7.840 -1.435 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -4.087 6.901 -2.973 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -2.579 7.030 -3.855 1.00 1.61 H new ATOM 0 HG LEU A 638 -1.498 5.563 -2.142 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -2.930 4.231 -0.650 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -2.995 5.967 -0.265 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -4.337 5.201 -1.147 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -2.545 3.474 -2.949 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -3.925 4.414 -3.564 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -2.306 4.649 -4.264 1.00 1.99 H new ATOM 244 N HIS A 639 -3.108 10.330 -2.820 1.00 2.51 N ATOM 245 CA HIS A 639 -2.939 11.500 -3.671 1.00 3.15 C ATOM 246 C HIS A 639 -2.137 12.590 -2.962 1.00 3.32 C ATOM 247 O HIS A 639 -1.306 13.256 -3.575 1.00 3.71 O ATOM 248 CB HIS A 639 -4.309 12.044 -4.086 1.00 3.69 C ATOM 249 CG HIS A 639 -4.256 13.117 -5.130 1.00 4.41 C ATOM 250 ND1 HIS A 639 -4.344 12.856 -6.479 1.00 4.97 N ATOM 251 CD2 HIS A 639 -4.142 14.462 -5.018 1.00 4.95 C ATOM 252 CE1 HIS A 639 -4.284 13.990 -7.150 1.00 5.62 C ATOM 253 NE2 HIS A 639 -4.163 14.981 -6.288 1.00 5.61 N ATOM 0 H HIS A 639 -3.906 10.380 -2.186 1.00 2.51 H new ATOM 0 HA HIS A 639 -2.384 11.197 -4.559 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -4.916 11.220 -4.460 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -4.813 12.437 -3.203 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -4.051 15.022 -4.099 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -4.327 14.090 -8.224 1.00 5.62 H new ATOM 0 HE2 HIS A 639 -4.096 15.971 -6.526 1.00 5.61 H new ATOM 262 N TRP A 640 -2.388 12.775 -1.675 1.00 3.17 N ATOM 263 CA TRP A 640 -1.769 13.869 -0.934 1.00 3.45 C ATOM 264 C TRP A 640 -0.597 13.395 -0.084 1.00 2.97 C ATOM 265 O TRP A 640 0.010 14.189 0.638 1.00 3.21 O ATOM 266 CB TRP A 640 -2.800 14.571 -0.046 1.00 3.97 C ATOM 267 CG TRP A 640 -3.978 15.109 -0.803 1.00 4.43 C ATOM 268 CD1 TRP A 640 -5.192 14.507 -0.944 1.00 4.57 C ATOM 269 CD2 TRP A 640 -4.059 16.350 -1.523 1.00 5.16 C ATOM 270 NE1 TRP A 640 -6.022 15.284 -1.710 1.00 5.35 N ATOM 271 CE2 TRP A 640 -5.354 16.421 -2.076 1.00 5.75 C ATOM 272 CE3 TRP A 640 -3.169 17.406 -1.757 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -5.778 17.501 -2.846 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -3.595 18.477 -2.521 1.00 6.48 C ATOM 275 CH2 TRP A 640 -4.888 18.516 -3.057 1.00 7.07 C ATOM 0 H TRP A 640 -3.012 12.187 -1.122 1.00 3.17 H new ATOM 0 HA TRP A 640 -1.385 14.574 -1.671 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -3.154 13.870 0.710 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -2.314 15.391 0.483 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -5.462 13.554 -0.514 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -6.982 15.052 -1.966 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -2.169 17.384 -1.349 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -6.774 17.535 -3.261 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -2.918 19.298 -2.708 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -5.188 19.367 -3.650 1.00 7.07 H new ATOM 286 N TYR A 641 -0.261 12.116 -0.166 1.00 2.48 N ATOM 287 CA TYR A 641 0.837 11.589 0.634 1.00 2.29 C ATOM 288 C TYR A 641 2.158 11.771 -0.104 1.00 2.37 C ATOM 289 O TYR A 641 2.779 10.806 -0.550 1.00 2.80 O ATOM 290 CB TYR A 641 0.621 10.113 0.986 1.00 2.57 C ATOM 291 CG TYR A 641 1.277 9.715 2.289 1.00 2.91 C ATOM 292 CD1 TYR A 641 2.624 9.385 2.346 1.00 3.42 C ATOM 293 CD2 TYR A 641 0.546 9.692 3.468 1.00 3.41 C ATOM 294 CE1 TYR A 641 3.224 9.050 3.544 1.00 4.14 C ATOM 295 CE2 TYR A 641 1.137 9.352 4.667 1.00 4.25 C ATOM 296 CZ TYR A 641 2.475 9.035 4.701 1.00 4.51 C ATOM 297 OH TYR A 641 3.072 8.715 5.899 1.00 5.50 O ATOM 0 H TYR A 641 -0.723 11.433 -0.767 1.00 2.48 H new ATOM 0 HA TYR A 641 0.869 12.149 1.568 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -0.449 9.913 1.048 1.00 2.57 H new ATOM 0 HB3 TYR A 641 1.016 9.492 0.182 1.00 2.57 H new ATOM 0 HD1 TYR A 641 3.212 9.390 1.440 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -0.504 9.945 3.447 1.00 3.41 H new ATOM 0 HE1 TYR A 641 4.274 8.801 3.574 1.00 4.14 H new ATOM 0 HE2 TYR A 641 0.552 9.335 5.575 1.00 4.25 H new ATOM 0 HH TYR A 641 3.954 9.139 5.949 1.00 5.50 H new ATOM 307 N ASN A 642 2.567 13.023 -0.254 1.00 2.55 N ATOM 308 CA ASN A 642 3.852 13.340 -0.868 1.00 2.95 C ATOM 309 C ASN A 642 4.920 13.480 0.206 1.00 2.85 C ATOM 310 O ASN A 642 6.115 13.535 -0.084 1.00 3.27 O ATOM 311 CB ASN A 642 3.759 14.631 -1.693 1.00 3.71 C ATOM 312 CG ASN A 642 3.569 15.874 -0.833 1.00 4.38 C ATOM 313 OD1 ASN A 642 2.445 16.231 -0.482 1.00 4.86 O ATOM 314 ND2 ASN A 642 4.666 16.544 -0.499 1.00 4.90 N ATOM 0 H ASN A 642 2.028 13.837 0.041 1.00 2.55 H new ATOM 0 HA ASN A 642 4.124 12.525 -1.539 1.00 2.95 H new ATOM 0 HB2 ASN A 642 4.666 14.742 -2.287 1.00 3.71 H new ATOM 0 HB3 ASN A 642 2.927 14.549 -2.393 1.00 3.71 H new ATOM 0 HD21 ASN A 642 4.595 17.388 0.069 1.00 4.90 H new ATOM 0 HD22 ASN A 642 5.580 16.214 -0.811 1.00 4.90 H new ATOM 321 N THR A 643 4.475 13.529 1.450 1.00 2.87 N ATOM 322 CA THR A 643 5.371 13.650 2.582 1.00 3.35 C ATOM 323 C THR A 643 5.283 12.399 3.448 1.00 3.70 C ATOM 324 O THR A 643 4.199 11.990 3.865 1.00 4.43 O ATOM 325 CB THR A 643 5.070 14.920 3.419 1.00 4.03 C ATOM 326 OG1 THR A 643 5.810 14.898 4.644 1.00 4.46 O ATOM 327 CG2 THR A 643 3.585 15.065 3.718 1.00 4.33 C ATOM 0 H THR A 643 3.487 13.486 1.701 1.00 2.87 H new ATOM 0 HA THR A 643 6.387 13.750 2.201 1.00 3.35 H new ATOM 0 HB THR A 643 5.378 15.779 2.823 1.00 4.03 H new ATOM 0 HG1 THR A 643 5.611 15.707 5.161 1.00 4.46 H new ATOM 0 HG21 THR A 643 3.419 15.968 4.306 1.00 4.33 H new ATOM 0 HG22 THR A 643 3.031 15.134 2.782 1.00 4.33 H new ATOM 0 HG23 THR A 643 3.241 14.197 4.280 1.00 4.33 H new ATOM 335 N ALA A 644 6.438 11.787 3.693 1.00 3.58 N ATOM 336 CA ALA A 644 6.514 10.529 4.423 1.00 4.14 C ATOM 337 C ALA A 644 6.030 10.681 5.859 1.00 5.22 C ATOM 338 O ALA A 644 5.616 9.708 6.490 1.00 5.98 O ATOM 339 CB ALA A 644 7.937 9.996 4.401 1.00 3.76 C ATOM 0 H ALA A 644 7.343 12.149 3.392 1.00 3.58 H new ATOM 0 HA ALA A 644 5.855 9.816 3.926 1.00 4.14 H new ATOM 0 HB1 ALA A 644 7.982 9.055 4.950 1.00 3.76 H new ATOM 0 HB2 ALA A 644 8.247 9.829 3.369 1.00 3.76 H new ATOM 0 HB3 ALA A 644 8.604 10.721 4.868 1.00 3.76 H new ATOM 345 N LEU A 645 6.077 11.904 6.367 1.00 5.58 N ATOM 346 CA LEU A 645 5.686 12.180 7.742 1.00 6.84 C ATOM 347 C LEU A 645 4.229 12.624 7.847 1.00 7.35 C ATOM 348 O LEU A 645 3.810 13.127 8.890 1.00 8.01 O ATOM 349 CB LEU A 645 6.596 13.251 8.347 1.00 7.29 C ATOM 350 CG LEU A 645 8.042 12.817 8.590 1.00 7.38 C ATOM 351 CD1 LEU A 645 8.892 14.011 8.988 1.00 7.91 C ATOM 352 CD2 LEU A 645 8.104 11.742 9.667 1.00 7.94 C ATOM 0 H LEU A 645 6.384 12.725 5.845 1.00 5.58 H new ATOM 0 HA LEU A 645 5.792 11.249 8.300 1.00 6.84 H new ATOM 0 HB2 LEU A 645 6.600 14.117 7.685 1.00 7.29 H new ATOM 0 HB3 LEU A 645 6.167 13.576 9.295 1.00 7.29 H new ATOM 0 HG LEU A 645 8.437 12.401 7.663 1.00 7.38 H new ATOM 0 HD11 LEU A 645 9.919 13.686 9.158 1.00 7.91 H new ATOM 0 HD12 LEU A 645 8.873 14.753 8.190 1.00 7.91 H new ATOM 0 HD13 LEU A 645 8.495 14.452 9.903 1.00 7.91 H new ATOM 0 HD21 LEU A 645 9.141 11.446 9.826 1.00 7.94 H new ATOM 0 HD22 LEU A 645 7.692 12.134 10.597 1.00 7.94 H new ATOM 0 HD23 LEU A 645 7.524 10.875 9.350 1.00 7.94 H new ATOM 364 N GLU A 646 3.461 12.449 6.774 1.00 7.22 N ATOM 365 CA GLU A 646 2.043 12.793 6.797 1.00 7.76 C ATOM 366 C GLU A 646 1.337 11.962 7.864 1.00 8.33 C ATOM 367 O GLU A 646 1.459 10.736 7.897 1.00 8.43 O ATOM 368 CB GLU A 646 1.396 12.550 5.429 1.00 7.59 C ATOM 369 CG GLU A 646 0.323 13.567 5.051 1.00 7.98 C ATOM 370 CD GLU A 646 -0.775 13.704 6.088 1.00 8.43 C ATOM 371 OE1 GLU A 646 -0.610 14.507 7.030 1.00 8.62 O ATOM 372 OE2 GLU A 646 -1.810 13.016 5.969 1.00 8.80 O ATOM 0 H GLU A 646 3.794 12.074 5.886 1.00 7.22 H new ATOM 0 HA GLU A 646 1.945 13.853 7.033 1.00 7.76 H new ATOM 0 HB2 GLU A 646 2.174 12.560 4.666 1.00 7.59 H new ATOM 0 HB3 GLU A 646 0.954 11.554 5.421 1.00 7.59 H new ATOM 0 HG2 GLU A 646 0.792 14.539 4.900 1.00 7.98 H new ATOM 0 HG3 GLU A 646 -0.122 13.277 4.099 1.00 7.98 H new ATOM 379 N MET A 647 0.604 12.630 8.732 1.00 8.91 N ATOM 380 CA MET A 647 -0.050 11.968 9.848 1.00 9.60 C ATOM 381 C MET A 647 -1.461 11.545 9.461 1.00 9.81 C ATOM 382 O MET A 647 -2.448 12.035 10.011 1.00 10.24 O ATOM 383 CB MET A 647 -0.076 12.897 11.064 1.00 10.34 C ATOM 384 CG MET A 647 1.312 13.301 11.539 1.00 10.82 C ATOM 385 SD MET A 647 1.272 14.531 12.858 1.00 11.51 S ATOM 386 CE MET A 647 3.025 14.861 13.052 1.00 12.08 C ATOM 0 H MET A 647 0.444 13.636 8.687 1.00 8.91 H new ATOM 0 HA MET A 647 0.513 11.072 10.108 1.00 9.60 H new ATOM 0 HB2 MET A 647 -0.643 13.794 10.816 1.00 10.34 H new ATOM 0 HB3 MET A 647 -0.603 12.402 11.880 1.00 10.34 H new ATOM 0 HG2 MET A 647 1.842 12.416 11.890 1.00 10.82 H new ATOM 0 HG3 MET A 647 1.878 13.698 10.696 1.00 10.82 H new ATOM 0 HE1 MET A 647 3.171 15.605 13.835 1.00 12.08 H new ATOM 0 HE2 MET A 647 3.540 13.940 13.326 1.00 12.08 H new ATOM 0 HE3 MET A 647 3.430 15.238 12.113 1.00 12.08 H new ATOM 396 N THR A 648 -1.546 10.648 8.493 1.00 9.65 N ATOM 397 CA THR A 648 -2.823 10.147 8.020 1.00 9.89 C ATOM 398 C THR A 648 -3.311 9.009 8.915 1.00 10.52 C ATOM 399 O THR A 648 -3.195 7.835 8.571 1.00 10.68 O ATOM 400 CB THR A 648 -2.705 9.648 6.568 1.00 9.58 C ATOM 401 OG1 THR A 648 -1.680 10.385 5.885 1.00 9.43 O ATOM 402 CG2 THR A 648 -4.022 9.814 5.823 1.00 9.40 C ATOM 0 H THR A 648 -0.737 10.250 8.016 1.00 9.65 H new ATOM 0 HA THR A 648 -3.543 10.965 8.055 1.00 9.89 H new ATOM 0 HB THR A 648 -2.450 8.589 6.593 1.00 9.58 H new ATOM 0 HG1 THR A 648 -2.016 11.276 5.655 1.00 9.43 H new ATOM 0 HG21 THR A 648 -3.910 9.454 4.800 1.00 9.40 H new ATOM 0 HG22 THR A 648 -4.800 9.240 6.327 1.00 9.40 H new ATOM 0 HG23 THR A 648 -4.301 10.868 5.808 1.00 9.40 H new ATOM 410 N ASP A 649 -3.847 9.365 10.072 1.00 11.04 N ATOM 411 CA ASP A 649 -4.326 8.371 11.026 1.00 11.77 C ATOM 412 C ASP A 649 -5.781 8.027 10.736 1.00 11.96 C ATOM 413 O ASP A 649 -6.692 8.446 11.452 1.00 12.46 O ATOM 414 CB ASP A 649 -4.173 8.881 12.465 1.00 12.46 C ATOM 415 CG ASP A 649 -4.495 7.818 13.500 1.00 13.07 C ATOM 416 OD1 ASP A 649 -5.550 7.922 14.162 1.00 13.39 O ATOM 417 OD2 ASP A 649 -3.689 6.878 13.662 1.00 13.37 O ATOM 0 H ASP A 649 -3.962 10.332 10.375 1.00 11.04 H new ATOM 0 HA ASP A 649 -3.723 7.469 10.919 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -3.152 9.231 12.615 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -4.829 9.738 12.614 1.00 12.46 H new ATOM 422 N CYS A 650 -5.995 7.266 9.674 1.00 11.69 N ATOM 423 CA CYS A 650 -7.339 6.886 9.259 1.00 11.94 C ATOM 424 C CYS A 650 -7.792 5.623 9.985 1.00 12.07 C ATOM 425 O CYS A 650 -8.271 4.669 9.373 1.00 12.15 O ATOM 426 CB CYS A 650 -7.384 6.686 7.739 1.00 11.96 C ATOM 427 SG CYS A 650 -6.026 5.689 7.079 1.00 12.13 S ATOM 0 H CYS A 650 -5.252 6.897 9.080 1.00 11.69 H new ATOM 0 HA CYS A 650 -8.026 7.690 9.524 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -8.329 6.212 7.474 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -7.371 7.663 7.255 1.00 11.96 H new ATOM 0 HG CYS A 650 -5.084 6.472 6.645 1.00 12.13 H new ATOM 433 N ASP A 651 -7.651 5.630 11.301 1.00 12.25 N ATOM 434 CA ASP A 651 -8.012 4.474 12.108 1.00 12.49 C ATOM 435 C ASP A 651 -9.290 4.724 12.895 1.00 12.81 C ATOM 436 O ASP A 651 -9.376 5.669 13.677 1.00 12.82 O ATOM 437 CB ASP A 651 -6.885 4.108 13.074 1.00 12.51 C ATOM 438 CG ASP A 651 -7.330 3.095 14.110 1.00 12.95 C ATOM 439 OD1 ASP A 651 -7.773 1.995 13.718 1.00 13.19 O ATOM 440 OD2 ASP A 651 -7.221 3.382 15.319 1.00 13.19 O ATOM 0 H ASP A 651 -7.290 6.422 11.833 1.00 12.25 H new ATOM 0 HA ASP A 651 -8.180 3.644 11.422 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -6.043 3.705 12.512 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -6.532 5.009 13.576 1.00 12.51 H new ATOM 445 N GLU A 652 -10.277 3.871 12.685 1.00 13.23 N ATOM 446 CA GLU A 652 -11.514 3.926 13.443 1.00 13.69 C ATOM 447 C GLU A 652 -11.791 2.560 14.056 1.00 13.73 C ATOM 448 O GLU A 652 -12.921 2.070 14.043 1.00 14.19 O ATOM 449 CB GLU A 652 -12.678 4.361 12.548 1.00 14.37 C ATOM 450 CG GLU A 652 -12.504 5.745 11.945 1.00 14.63 C ATOM 451 CD GLU A 652 -13.701 6.177 11.126 1.00 15.07 C ATOM 452 OE1 GLU A 652 -13.702 5.947 9.901 1.00 15.16 O ATOM 453 OE2 GLU A 652 -14.644 6.755 11.703 1.00 15.45 O ATOM 0 H GLU A 652 -10.244 3.126 11.989 1.00 13.23 H new ATOM 0 HA GLU A 652 -11.412 4.663 14.240 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -12.795 3.636 11.743 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -13.599 4.342 13.131 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -12.335 6.467 12.744 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -11.615 5.754 11.315 1.00 14.63 H new ATOM 460 N GLY A 653 -10.741 1.945 14.581 1.00 13.37 N ATOM 461 CA GLY A 653 -10.857 0.612 15.132 1.00 13.46 C ATOM 462 C GLY A 653 -10.535 -0.451 14.103 1.00 12.98 C ATOM 463 O GLY A 653 -11.244 -1.455 13.992 1.00 13.22 O ATOM 0 H GLY A 653 -9.806 2.349 14.635 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -10.183 0.510 15.983 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -11.869 0.460 15.507 1.00 13.46 H new ATOM 467 N GLY A 654 -9.468 -0.227 13.345 1.00 12.43 N ATOM 468 CA GLY A 654 -9.079 -1.160 12.311 1.00 12.06 C ATOM 469 C GLY A 654 -9.919 -1.017 11.058 1.00 11.36 C ATOM 470 O GLY A 654 -10.757 -0.118 10.961 1.00 11.43 O ATOM 0 H GLY A 654 -8.864 0.590 13.431 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -8.029 -1.004 12.061 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -9.169 -2.178 12.691 1.00 12.06 H new ATOM 474 N GLU A 655 -9.689 -1.898 10.096 1.00 10.85 N ATOM 475 CA GLU A 655 -10.436 -1.894 8.851 1.00 10.24 C ATOM 476 C GLU A 655 -10.891 -3.316 8.525 1.00 9.73 C ATOM 477 O GLU A 655 -10.387 -3.964 7.604 1.00 9.57 O ATOM 478 CB GLU A 655 -9.572 -1.309 7.728 1.00 10.26 C ATOM 479 CG GLU A 655 -10.313 -1.071 6.422 1.00 10.19 C ATOM 480 CD GLU A 655 -9.451 -0.367 5.394 1.00 10.69 C ATOM 481 OE1 GLU A 655 -8.402 -0.925 5.006 1.00 10.96 O ATOM 482 OE2 GLU A 655 -9.826 0.739 4.955 1.00 10.98 O ATOM 0 H GLU A 655 -8.983 -2.631 10.157 1.00 10.85 H new ATOM 0 HA GLU A 655 -11.322 -1.267 8.951 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -9.148 -0.364 8.068 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -8.737 -1.984 7.540 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -10.650 -2.026 6.018 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -11.204 -0.474 6.616 1.00 10.19 H new ATOM 489 N TYR A 656 -11.826 -3.803 9.324 1.00 9.64 N ATOM 490 CA TYR A 656 -12.344 -5.157 9.186 1.00 9.25 C ATOM 491 C TYR A 656 -13.464 -5.208 8.154 1.00 8.16 C ATOM 492 O TYR A 656 -14.580 -4.753 8.412 1.00 8.22 O ATOM 493 CB TYR A 656 -12.864 -5.664 10.534 1.00 10.13 C ATOM 494 CG TYR A 656 -11.821 -5.685 11.629 1.00 10.38 C ATOM 495 CD1 TYR A 656 -11.665 -4.601 12.484 1.00 10.66 C ATOM 496 CD2 TYR A 656 -10.996 -6.787 11.809 1.00 10.57 C ATOM 497 CE1 TYR A 656 -10.716 -4.614 13.487 1.00 11.10 C ATOM 498 CE2 TYR A 656 -10.044 -6.808 12.811 1.00 10.97 C ATOM 499 CZ TYR A 656 -9.908 -5.719 13.645 1.00 11.23 C ATOM 500 OH TYR A 656 -8.960 -5.735 14.641 1.00 11.80 O ATOM 0 H TYR A 656 -12.248 -3.273 10.086 1.00 9.64 H new ATOM 0 HA TYR A 656 -11.529 -5.798 8.848 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -13.695 -5.034 10.851 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -13.259 -6.672 10.403 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -12.297 -3.734 12.362 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -11.100 -7.641 11.156 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -10.608 -3.763 14.144 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -9.410 -7.673 12.940 1.00 10.97 H new ATOM 0 HH TYR A 656 -8.476 -6.587 14.618 1.00 11.80 H new ATOM 510 N ASP A 657 -13.160 -5.768 6.993 1.00 7.39 N ATOM 511 CA ASP A 657 -14.129 -5.895 5.914 1.00 6.44 C ATOM 512 C ASP A 657 -13.902 -7.194 5.148 1.00 6.09 C ATOM 513 O ASP A 657 -12.762 -7.553 4.846 1.00 6.31 O ATOM 514 CB ASP A 657 -14.030 -4.692 4.973 1.00 6.14 C ATOM 515 CG ASP A 657 -14.802 -4.885 3.682 1.00 5.90 C ATOM 516 OD1 ASP A 657 -16.028 -4.653 3.684 1.00 5.94 O ATOM 517 OD2 ASP A 657 -14.190 -5.277 2.670 1.00 6.00 O ATOM 0 H ASP A 657 -12.239 -6.146 6.772 1.00 7.39 H new ATOM 0 HA ASP A 657 -15.131 -5.919 6.342 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -14.404 -3.805 5.485 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -12.982 -4.506 4.739 1.00 6.14 H new ATOM 522 N GLY A 658 -14.988 -7.891 4.837 1.00 5.88 N ATOM 523 CA GLY A 658 -14.887 -9.178 4.174 1.00 5.75 C ATOM 524 C GLY A 658 -15.127 -9.078 2.682 1.00 4.80 C ATOM 525 O GLY A 658 -16.133 -9.571 2.169 1.00 5.02 O ATOM 0 H GLY A 658 -15.941 -7.586 5.033 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -13.898 -9.599 4.353 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -15.611 -9.867 4.611 1.00 5.75 H new ATOM 529 N MET A 659 -14.202 -8.435 1.988 1.00 3.98 N ATOM 530 CA MET A 659 -14.295 -8.262 0.543 1.00 3.13 C ATOM 531 C MET A 659 -14.139 -9.595 -0.184 1.00 2.86 C ATOM 532 O MET A 659 -13.795 -10.614 0.423 1.00 2.97 O ATOM 533 CB MET A 659 -13.226 -7.283 0.048 1.00 2.88 C ATOM 534 CG MET A 659 -11.802 -7.813 0.160 1.00 2.45 C ATOM 535 SD MET A 659 -11.237 -7.966 1.867 1.00 2.41 S ATOM 536 CE MET A 659 -9.584 -8.609 1.615 1.00 2.25 C ATOM 0 H MET A 659 -13.369 -8.020 2.405 1.00 3.98 H new ATOM 0 HA MET A 659 -15.284 -7.858 0.324 1.00 3.13 H new ATOM 0 HB2 MET A 659 -13.430 -7.035 -0.994 1.00 2.88 H new ATOM 0 HB3 MET A 659 -13.304 -6.357 0.618 1.00 2.88 H new ATOM 0 HG2 MET A 659 -11.744 -8.788 -0.325 1.00 2.45 H new ATOM 0 HG3 MET A 659 -11.129 -7.148 -0.381 1.00 2.45 H new ATOM 0 HE1 MET A 659 -9.378 -9.383 2.354 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.508 -9.034 0.614 1.00 2.25 H new ATOM 0 HE3 MET A 659 -8.859 -7.802 1.723 1.00 2.25 H new ATOM 546 N GLN A 660 -14.394 -9.579 -1.482 1.00 3.00 N ATOM 547 CA GLN A 660 -14.271 -10.770 -2.310 1.00 3.07 C ATOM 548 C GLN A 660 -12.806 -11.045 -2.622 1.00 2.63 C ATOM 549 O GLN A 660 -12.000 -10.112 -2.702 1.00 3.22 O ATOM 550 CB GLN A 660 -15.062 -10.591 -3.606 1.00 3.99 C ATOM 551 CG GLN A 660 -16.539 -10.320 -3.377 1.00 4.68 C ATOM 552 CD GLN A 660 -17.273 -9.968 -4.654 1.00 5.55 C ATOM 553 OE1 GLN A 660 -17.808 -10.836 -5.342 1.00 6.02 O ATOM 554 NE2 GLN A 660 -17.300 -8.687 -4.981 1.00 6.10 N ATOM 0 H GLN A 660 -14.690 -8.746 -1.990 1.00 3.00 H new ATOM 0 HA GLN A 660 -14.677 -11.621 -1.764 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -14.632 -9.766 -4.174 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -14.955 -11.488 -4.216 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -17.000 -11.200 -2.928 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -16.648 -9.504 -2.663 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -16.844 -7.998 -4.383 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -17.777 -8.388 -5.831 1.00 6.10 H new ATOM 563 N ASP A 661 -12.477 -12.328 -2.784 1.00 2.13 N ATOM 564 CA ASP A 661 -11.112 -12.779 -3.071 1.00 2.09 C ATOM 565 C ASP A 661 -10.218 -12.644 -1.845 1.00 1.75 C ATOM 566 O ASP A 661 -10.392 -11.744 -1.020 1.00 1.98 O ATOM 567 CB ASP A 661 -10.497 -12.012 -4.252 1.00 2.69 C ATOM 568 CG ASP A 661 -11.137 -12.359 -5.578 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.765 -13.396 -6.171 1.00 3.86 O ATOM 570 OD2 ASP A 661 -12.016 -11.596 -6.041 1.00 3.59 O ATOM 0 H ASP A 661 -13.154 -13.089 -2.720 1.00 2.13 H new ATOM 0 HA ASP A 661 -11.178 -13.832 -3.344 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -10.598 -10.941 -4.075 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -9.430 -12.228 -4.302 1.00 2.69 H new ATOM 575 N GLU A 662 -9.272 -13.563 -1.720 1.00 1.44 N ATOM 576 CA GLU A 662 -8.299 -13.527 -0.641 1.00 1.24 C ATOM 577 C GLU A 662 -7.424 -12.290 -0.797 1.00 1.00 C ATOM 578 O GLU A 662 -7.133 -11.879 -1.922 1.00 1.01 O ATOM 579 CB GLU A 662 -7.436 -14.802 -0.654 1.00 1.40 C ATOM 580 CG GLU A 662 -6.461 -14.913 -1.827 1.00 1.93 C ATOM 581 CD GLU A 662 -7.137 -14.979 -3.186 1.00 2.45 C ATOM 582 OE1 GLU A 662 -6.598 -14.399 -4.152 1.00 2.64 O ATOM 583 OE2 GLU A 662 -8.211 -15.611 -3.295 1.00 3.19 O ATOM 0 H GLU A 662 -9.158 -14.349 -2.360 1.00 1.44 H new ATOM 0 HA GLU A 662 -8.821 -13.481 0.315 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -6.869 -14.848 0.276 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -8.096 -15.669 -0.667 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -5.787 -14.056 -1.809 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -5.848 -15.804 -1.694 1.00 1.93 H new ATOM 590 N PRO A 663 -7.002 -11.654 0.308 1.00 0.86 N ATOM 591 CA PRO A 663 -6.219 -10.431 0.202 1.00 0.68 C ATOM 592 C PRO A 663 -4.826 -10.714 -0.342 1.00 0.57 C ATOM 593 O PRO A 663 -4.004 -11.356 0.310 1.00 0.62 O ATOM 594 CB PRO A 663 -6.135 -9.938 1.649 1.00 0.69 C ATOM 595 CG PRO A 663 -6.337 -11.154 2.491 1.00 0.86 C ATOM 596 CD PRO A 663 -7.245 -12.063 1.701 1.00 0.97 C ATOM 0 HA PRO A 663 -6.665 -9.706 -0.479 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -5.169 -9.475 1.852 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.898 -9.187 1.854 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -5.386 -11.643 2.705 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -6.784 -10.894 3.450 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -7.001 -13.113 1.861 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -8.290 -11.932 1.983 1.00 0.97 H new ATOM 604 N ARG A 664 -4.564 -10.212 -1.533 1.00 0.52 N ATOM 605 CA ARG A 664 -3.275 -10.398 -2.175 1.00 0.49 C ATOM 606 C ARG A 664 -2.273 -9.342 -1.729 1.00 0.35 C ATOM 607 O ARG A 664 -1.060 -9.549 -1.798 1.00 0.34 O ATOM 608 CB ARG A 664 -3.460 -10.425 -3.690 1.00 0.65 C ATOM 609 CG ARG A 664 -4.395 -11.546 -4.118 1.00 1.17 C ATOM 610 CD ARG A 664 -4.755 -11.491 -5.590 1.00 1.16 C ATOM 611 NE ARG A 664 -5.734 -12.525 -5.926 1.00 1.69 N ATOM 612 CZ ARG A 664 -6.290 -12.678 -7.123 1.00 2.17 C ATOM 613 NH1 ARG A 664 -5.959 -11.875 -8.126 1.00 2.20 N ATOM 614 NH2 ARG A 664 -7.178 -13.643 -7.314 1.00 3.16 N ATOM 0 H ARG A 664 -5.231 -9.668 -2.080 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.857 -11.357 -1.868 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -3.860 -9.468 -4.026 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -2.492 -10.553 -4.174 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -3.926 -12.505 -3.901 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -5.308 -11.496 -3.525 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -5.159 -10.509 -5.833 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.857 -11.624 -6.194 1.00 1.16 H new ATOM 0 HE ARG A 664 -6.009 -13.174 -5.189 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -5.273 -11.134 -7.981 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -6.390 -11.999 -9.042 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -7.431 -14.263 -6.544 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -7.609 -13.766 -8.230 1.00 3.16 H new ATOM 628 N TYR A 665 -2.788 -8.217 -1.238 1.00 0.30 N ATOM 629 CA TYR A 665 -1.940 -7.107 -0.822 1.00 0.25 C ATOM 630 C TYR A 665 -1.041 -7.507 0.343 1.00 0.22 C ATOM 631 O TYR A 665 0.033 -6.949 0.520 1.00 0.22 O ATOM 632 CB TYR A 665 -2.781 -5.870 -0.470 1.00 0.27 C ATOM 633 CG TYR A 665 -3.902 -6.105 0.519 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.145 -6.552 0.094 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.721 -5.860 1.871 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.174 -6.750 0.991 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.747 -6.058 2.776 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.970 -6.503 2.331 1.00 0.64 C ATOM 639 OH TYR A 665 -6.991 -6.706 3.230 1.00 0.81 O ATOM 0 H TYR A 665 -3.788 -8.052 -1.119 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.298 -6.847 -1.664 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.118 -5.104 -0.066 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.209 -5.469 -1.389 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.309 -6.748 -0.955 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.762 -5.509 2.223 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.136 -7.097 0.644 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.589 -5.864 3.827 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.680 -6.486 4.133 1.00 0.81 H new ATOM 649 N MET A 666 -1.468 -8.503 1.109 1.00 0.25 N ATOM 650 CA MET A 666 -0.660 -9.009 2.212 1.00 0.28 C ATOM 651 C MET A 666 0.534 -9.782 1.672 1.00 0.25 C ATOM 652 O MET A 666 1.640 -9.692 2.200 1.00 0.25 O ATOM 653 CB MET A 666 -1.503 -9.891 3.135 1.00 0.37 C ATOM 654 CG MET A 666 -2.469 -9.102 4.010 1.00 0.48 C ATOM 655 SD MET A 666 -3.632 -10.157 4.895 1.00 1.17 S ATOM 656 CE MET A 666 -4.564 -8.931 5.812 1.00 1.14 C ATOM 0 H MET A 666 -2.364 -8.975 0.988 1.00 0.25 H new ATOM 0 HA MET A 666 -0.293 -8.164 2.794 1.00 0.28 H new ATOM 0 HB2 MET A 666 -2.068 -10.600 2.531 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.840 -10.474 3.774 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.901 -8.512 4.729 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.024 -8.399 3.388 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.327 -9.428 6.412 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.891 -8.377 6.467 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.042 -8.242 5.116 1.00 1.14 H new ATOM 666 N MET A 667 0.312 -10.511 0.587 1.00 0.26 N ATOM 667 CA MET A 667 1.382 -11.248 -0.065 1.00 0.27 C ATOM 668 C MET A 667 2.349 -10.270 -0.721 1.00 0.23 C ATOM 669 O MET A 667 3.569 -10.398 -0.595 1.00 0.23 O ATOM 670 CB MET A 667 0.804 -12.207 -1.110 1.00 0.34 C ATOM 671 CG MET A 667 1.858 -12.962 -1.907 1.00 0.47 C ATOM 672 SD MET A 667 1.145 -14.059 -3.149 1.00 1.20 S ATOM 673 CE MET A 667 0.233 -12.890 -4.156 1.00 1.10 C ATOM 0 H MET A 667 -0.600 -10.607 0.141 1.00 0.26 H new ATOM 0 HA MET A 667 1.919 -11.834 0.680 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.157 -12.927 -0.609 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.177 -11.642 -1.800 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.518 -12.246 -2.397 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.474 -13.547 -1.223 1.00 0.47 H new ATOM 0 HE1 MET A 667 -0.070 -13.370 -5.087 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.652 -12.557 -3.615 1.00 1.10 H new ATOM 0 HE3 MET A 667 0.866 -12.031 -4.380 1.00 1.10 H new ATOM 683 N LEU A 668 1.790 -9.273 -1.398 1.00 0.21 N ATOM 684 CA LEU A 668 2.593 -8.238 -2.041 1.00 0.19 C ATOM 685 C LEU A 668 3.355 -7.416 -1.004 1.00 0.17 C ATOM 686 O LEU A 668 4.481 -6.982 -1.253 1.00 0.17 O ATOM 687 CB LEU A 668 1.723 -7.317 -2.907 1.00 0.21 C ATOM 688 CG LEU A 668 1.437 -7.812 -4.334 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.723 -9.154 -4.331 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.614 -6.783 -5.092 1.00 0.80 C ATOM 0 H LEU A 668 0.783 -9.159 -1.516 1.00 0.21 H new ATOM 0 HA LEU A 668 3.313 -8.738 -2.688 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.771 -7.164 -2.398 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.210 -6.344 -2.971 1.00 0.21 H new ATOM 0 HG LEU A 668 2.395 -7.947 -4.835 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.538 -9.470 -5.358 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.344 -9.896 -3.829 1.00 0.82 H new ATOM 0 HD13 LEU A 668 -0.227 -9.060 -3.804 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.418 -7.145 -6.101 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.332 -6.621 -4.575 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.165 -5.844 -5.144 1.00 0.80 H new ATOM 702 N ALA A 669 2.758 -7.233 0.172 1.00 0.18 N ATOM 703 CA ALA A 669 3.407 -6.484 1.237 1.00 0.19 C ATOM 704 C ALA A 669 4.464 -7.345 1.911 1.00 0.20 C ATOM 705 O ALA A 669 5.484 -6.840 2.370 1.00 0.22 O ATOM 706 CB ALA A 669 2.390 -5.993 2.255 1.00 0.23 C ATOM 0 H ALA A 669 1.833 -7.592 0.407 1.00 0.18 H new ATOM 0 HA ALA A 669 3.891 -5.611 0.799 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.901 -5.436 3.040 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.666 -5.344 1.762 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.873 -6.846 2.693 1.00 0.23 H new ATOM 712 N ARG A 670 4.213 -8.652 1.965 1.00 0.22 N ATOM 713 CA ARG A 670 5.202 -9.603 2.455 1.00 0.26 C ATOM 714 C ARG A 670 6.418 -9.593 1.540 1.00 0.23 C ATOM 715 O ARG A 670 7.563 -9.589 1.999 1.00 0.25 O ATOM 716 CB ARG A 670 4.611 -11.013 2.518 1.00 0.33 C ATOM 717 CG ARG A 670 5.593 -12.062 3.015 1.00 0.41 C ATOM 718 CD ARG A 670 4.973 -13.448 3.022 1.00 0.83 C ATOM 719 NE ARG A 670 4.695 -13.944 1.673 1.00 1.62 N ATOM 720 CZ ARG A 670 3.849 -14.940 1.410 1.00 2.33 C ATOM 721 NH1 ARG A 670 3.169 -15.515 2.397 1.00 2.41 N ATOM 722 NH2 ARG A 670 3.681 -15.361 0.161 1.00 3.33 N ATOM 0 H ARG A 670 3.331 -9.074 1.674 1.00 0.22 H new ATOM 0 HA ARG A 670 5.501 -9.309 3.461 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.740 -11.004 3.173 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.261 -11.296 1.525 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.479 -12.062 2.380 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.923 -11.805 4.022 1.00 0.41 H new ATOM 0 HD2 ARG A 670 5.645 -14.141 3.529 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.046 -13.425 3.596 1.00 0.83 H new ATOM 0 HE ARG A 670 5.176 -13.502 0.890 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.294 -15.194 3.357 1.00 2.41 H new ATOM 0 HH12 ARG A 670 2.522 -16.277 2.194 1.00 2.41 H new ATOM 0 HH21 ARG A 670 4.200 -14.922 -0.599 1.00 3.33 H new ATOM 0 HH22 ARG A 670 3.033 -16.123 -0.037 1.00 3.33 H new ATOM 736 N GLU A 671 6.158 -9.560 0.236 1.00 0.22 N ATOM 737 CA GLU A 671 7.220 -9.498 -0.750 1.00 0.23 C ATOM 738 C GLU A 671 7.969 -8.183 -0.585 1.00 0.19 C ATOM 739 O GLU A 671 9.199 -8.149 -0.539 1.00 0.21 O ATOM 740 CB GLU A 671 6.634 -9.596 -2.159 1.00 0.30 C ATOM 741 CG GLU A 671 7.659 -9.909 -3.235 1.00 0.38 C ATOM 742 CD GLU A 671 8.210 -11.315 -3.116 1.00 0.99 C ATOM 743 OE1 GLU A 671 9.449 -11.477 -3.170 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.413 -12.260 -2.951 1.00 1.11 O ATOM 0 H GLU A 671 5.217 -9.575 -0.158 1.00 0.22 H new ATOM 0 HA GLU A 671 7.907 -10.332 -0.603 1.00 0.23 H new ATOM 0 HB2 GLU A 671 5.865 -10.369 -2.169 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.142 -8.654 -2.403 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.202 -9.783 -4.216 1.00 0.38 H new ATOM 0 HG3 GLU A 671 8.479 -9.194 -3.171 1.00 0.38 H new ATOM 751 N ALA A 672 7.204 -7.102 -0.470 1.00 0.17 N ATOM 752 CA ALA A 672 7.766 -5.784 -0.230 1.00 0.18 C ATOM 753 C ALA A 672 8.620 -5.772 1.034 1.00 0.20 C ATOM 754 O ALA A 672 9.688 -5.169 1.063 1.00 0.23 O ATOM 755 CB ALA A 672 6.660 -4.748 -0.131 1.00 0.21 C ATOM 0 H ALA A 672 6.187 -7.117 -0.540 1.00 0.17 H new ATOM 0 HA ALA A 672 8.409 -5.533 -1.074 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.097 -3.766 0.049 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.095 -4.729 -1.063 1.00 0.21 H new ATOM 0 HB3 ALA A 672 5.993 -5.005 0.692 1.00 0.21 H new ATOM 761 N GLU A 673 8.145 -6.453 2.073 1.00 0.22 N ATOM 762 CA GLU A 673 8.881 -6.568 3.322 1.00 0.28 C ATOM 763 C GLU A 673 10.199 -7.293 3.087 1.00 0.28 C ATOM 764 O GLU A 673 11.250 -6.865 3.566 1.00 0.31 O ATOM 765 CB GLU A 673 8.041 -7.315 4.364 1.00 0.34 C ATOM 766 CG GLU A 673 8.704 -7.437 5.727 1.00 0.70 C ATOM 767 CD GLU A 673 8.925 -6.098 6.399 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.931 -5.394 6.682 1.00 1.16 O ATOM 769 OE2 GLU A 673 10.094 -5.754 6.672 1.00 1.76 O ATOM 0 H GLU A 673 7.247 -6.936 2.071 1.00 0.22 H new ATOM 0 HA GLU A 673 9.094 -5.568 3.699 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.087 -6.801 4.481 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.821 -8.314 3.988 1.00 0.34 H new ATOM 0 HG2 GLU A 673 8.086 -8.063 6.371 1.00 0.70 H new ATOM 0 HG3 GLU A 673 9.663 -7.944 5.615 1.00 0.70 H new ATOM 776 N MET A 674 10.141 -8.375 2.315 1.00 0.27 N ATOM 777 CA MET A 674 11.334 -9.159 2.012 1.00 0.31 C ATOM 778 C MET A 674 12.298 -8.372 1.129 1.00 0.29 C ATOM 779 O MET A 674 13.504 -8.597 1.168 1.00 0.34 O ATOM 780 CB MET A 674 10.974 -10.488 1.337 1.00 0.36 C ATOM 781 CG MET A 674 10.194 -11.440 2.230 1.00 0.54 C ATOM 782 SD MET A 674 10.076 -13.108 1.547 1.00 0.60 S ATOM 783 CE MET A 674 9.231 -12.798 -0.001 1.00 0.79 C ATOM 0 H MET A 674 9.284 -8.728 1.889 1.00 0.27 H new ATOM 0 HA MET A 674 11.825 -9.377 2.960 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.388 -10.282 0.441 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.891 -10.979 1.012 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.673 -11.487 3.208 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.190 -11.044 2.385 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.057 -13.743 -0.516 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.276 -12.311 0.197 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.845 -12.151 -0.627 1.00 0.79 H new ATOM 793 N LEU A 675 11.771 -7.446 0.337 1.00 0.26 N ATOM 794 CA LEU A 675 12.613 -6.601 -0.507 1.00 0.27 C ATOM 795 C LEU A 675 13.125 -5.391 0.265 1.00 0.30 C ATOM 796 O LEU A 675 14.173 -4.837 -0.062 1.00 0.39 O ATOM 797 CB LEU A 675 11.844 -6.122 -1.747 1.00 0.27 C ATOM 798 CG LEU A 675 11.975 -6.991 -3.005 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.428 -7.090 -3.443 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.388 -8.375 -2.781 1.00 0.47 C ATOM 0 H LEU A 675 10.771 -7.260 0.260 1.00 0.26 H new ATOM 0 HA LEU A 675 13.462 -7.206 -0.824 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.787 -6.051 -1.488 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.181 -5.114 -1.990 1.00 0.27 H new ATOM 0 HG LEU A 675 11.407 -6.511 -3.802 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.497 -7.711 -4.336 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.810 -6.093 -3.663 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.019 -7.537 -2.644 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.496 -8.967 -3.690 1.00 0.47 H new ATOM 0 HD22 LEU A 675 11.916 -8.866 -1.963 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.331 -8.286 -2.529 1.00 0.47 H new ATOM 812 N PHE A 676 12.379 -4.976 1.279 1.00 0.30 N ATOM 813 CA PHE A 676 12.735 -3.796 2.053 1.00 0.37 C ATOM 814 C PHE A 676 13.788 -4.123 3.105 1.00 0.42 C ATOM 815 O PHE A 676 14.876 -3.546 3.103 1.00 0.46 O ATOM 816 CB PHE A 676 11.486 -3.194 2.712 1.00 0.44 C ATOM 817 CG PHE A 676 11.742 -1.900 3.434 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.537 -1.801 4.800 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.188 -0.783 2.745 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.771 -0.613 5.466 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.425 0.408 3.405 1.00 0.82 C ATOM 822 CZ PHE A 676 12.216 0.493 4.767 1.00 0.82 C ATOM 0 H PHE A 676 11.523 -5.439 1.585 1.00 0.30 H new ATOM 0 HA PHE A 676 13.161 -3.061 1.371 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.728 -3.028 1.947 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.075 -3.917 3.417 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.190 -2.662 5.351 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.352 -0.844 1.679 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.606 -0.549 6.531 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.773 1.271 2.856 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.400 1.422 5.285 1.00 0.82 H new ATOM 832 N THR A 677 13.473 -5.049 3.999 1.00 0.47 N ATOM 833 CA THR A 677 14.387 -5.398 5.071 1.00 0.57 C ATOM 834 C THR A 677 15.331 -6.523 4.656 1.00 0.65 C ATOM 835 O THR A 677 16.350 -6.771 5.308 1.00 0.89 O ATOM 836 CB THR A 677 13.617 -5.794 6.346 1.00 0.77 C ATOM 837 OG1 THR A 677 12.581 -6.734 6.027 1.00 1.45 O ATOM 838 CG2 THR A 677 13.000 -4.570 6.998 1.00 0.97 C ATOM 0 H THR A 677 12.595 -5.569 4.002 1.00 0.47 H new ATOM 0 HA THR A 677 14.987 -4.513 5.286 1.00 0.57 H new ATOM 0 HB THR A 677 14.322 -6.251 7.041 1.00 0.77 H new ATOM 0 HG1 THR A 677 11.719 -6.390 6.342 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.460 -4.869 7.897 1.00 0.97 H new ATOM 0 HG22 THR A 677 13.787 -3.865 7.265 1.00 0.97 H new ATOM 0 HG23 THR A 677 12.309 -4.096 6.301 1.00 0.97 H new ATOM 846 N GLY A 678 14.990 -7.191 3.561 1.00 0.61 N ATOM 847 CA GLY A 678 15.825 -8.259 3.044 1.00 0.76 C ATOM 848 C GLY A 678 15.586 -9.574 3.757 1.00 1.01 C ATOM 849 O GLY A 678 14.917 -9.615 4.790 1.00 1.40 O ATOM 0 H GLY A 678 14.145 -7.011 3.019 1.00 0.61 H new ATOM 0 HA2 GLY A 678 15.631 -8.386 1.979 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.873 -7.979 3.146 1.00 0.76 H new ATOM 853 N GLY A 679 16.127 -10.650 3.210 1.00 1.33 N ATOM 854 CA GLY A 679 15.977 -11.947 3.831 1.00 1.95 C ATOM 855 C GLY A 679 15.170 -12.897 2.972 1.00 1.80 C ATOM 856 O GLY A 679 14.643 -12.497 1.934 1.00 2.07 O ATOM 0 H GLY A 679 16.668 -10.648 2.345 1.00 1.33 H new ATOM 0 HA2 GLY A 679 16.962 -12.375 4.018 1.00 1.95 H new ATOM 0 HA3 GLY A 679 15.490 -11.831 4.799 1.00 1.95 H new ATOM 860 N TYR A 680 15.088 -14.154 3.401 1.00 1.93 N ATOM 861 CA TYR A 680 14.333 -15.190 2.690 1.00 2.05 C ATOM 862 C TYR A 680 14.807 -15.348 1.244 1.00 1.75 C ATOM 863 O TYR A 680 14.037 -15.749 0.372 1.00 2.00 O ATOM 864 CB TYR A 680 12.831 -14.880 2.711 1.00 2.63 C ATOM 865 CG TYR A 680 12.218 -14.894 4.093 1.00 3.13 C ATOM 866 CD1 TYR A 680 11.749 -16.075 4.652 1.00 3.63 C ATOM 867 CD2 TYR A 680 12.101 -13.725 4.834 1.00 3.37 C ATOM 868 CE1 TYR A 680 11.178 -16.090 5.909 1.00 4.26 C ATOM 869 CE2 TYR A 680 11.535 -13.734 6.094 1.00 3.94 C ATOM 870 CZ TYR A 680 11.075 -14.919 6.626 1.00 4.36 C ATOM 871 OH TYR A 680 10.503 -14.930 7.878 1.00 5.05 O ATOM 0 H TYR A 680 15.542 -14.486 4.252 1.00 1.93 H new ATOM 0 HA TYR A 680 14.513 -16.130 3.211 1.00 2.05 H new ATOM 0 HB2 TYR A 680 12.667 -13.900 2.262 1.00 2.63 H new ATOM 0 HB3 TYR A 680 12.312 -15.608 2.087 1.00 2.63 H new ATOM 0 HD1 TYR A 680 11.832 -16.996 4.095 1.00 3.63 H new ATOM 0 HD2 TYR A 680 12.458 -12.794 4.418 1.00 3.37 H new ATOM 0 HE1 TYR A 680 10.814 -17.016 6.328 1.00 4.26 H new ATOM 0 HE2 TYR A 680 11.453 -12.817 6.659 1.00 3.94 H new ATOM 0 HH TYR A 680 10.509 -14.023 8.248 1.00 5.05 H new ATOM 881 N GLY A 681 16.071 -15.034 0.991 1.00 1.41 N ATOM 882 CA GLY A 681 16.608 -15.156 -0.352 1.00 1.29 C ATOM 883 C GLY A 681 16.492 -13.872 -1.149 1.00 1.11 C ATOM 884 O GLY A 681 16.977 -13.790 -2.276 1.00 1.20 O ATOM 0 H GLY A 681 16.734 -14.698 1.690 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.656 -15.449 -0.294 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.083 -15.953 -0.878 1.00 1.29 H new ATOM 888 N LEU A 682 15.853 -12.868 -0.567 1.00 0.95 N ATOM 889 CA LEU A 682 15.673 -11.590 -1.236 1.00 0.84 C ATOM 890 C LEU A 682 16.753 -10.606 -0.811 1.00 0.76 C ATOM 891 O LEU A 682 17.081 -10.504 0.375 1.00 0.82 O ATOM 892 CB LEU A 682 14.293 -10.987 -0.931 1.00 0.88 C ATOM 893 CG LEU A 682 13.087 -11.613 -1.652 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.279 -11.589 -3.158 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.828 -13.031 -1.174 1.00 1.38 C ATOM 0 H LEU A 682 15.450 -12.915 0.369 1.00 0.95 H new ATOM 0 HA LEU A 682 15.747 -11.773 -2.308 1.00 0.84 H new ATOM 0 HB2 LEU A 682 14.121 -11.058 0.143 1.00 0.88 H new ATOM 0 HB3 LEU A 682 14.324 -9.926 -1.179 1.00 0.88 H new ATOM 0 HG LEU A 682 12.213 -11.010 -1.406 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.412 -12.038 -3.643 1.00 1.10 H new ATOM 0 HD12 LEU A 682 13.390 -10.558 -3.494 1.00 1.10 H new ATOM 0 HD13 LEU A 682 14.174 -12.154 -3.420 1.00 1.10 H new ATOM 0 HD21 LEU A 682 11.969 -13.443 -1.704 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.705 -13.647 -1.371 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.623 -13.022 -0.103 1.00 1.38 H new ATOM 907 N GLU A 683 17.322 -9.907 -1.780 1.00 0.78 N ATOM 908 CA GLU A 683 18.261 -8.835 -1.496 1.00 0.79 C ATOM 909 C GLU A 683 17.505 -7.517 -1.429 1.00 0.68 C ATOM 910 O GLU A 683 16.689 -7.219 -2.303 1.00 0.78 O ATOM 911 CB GLU A 683 19.352 -8.772 -2.564 1.00 0.99 C ATOM 912 CG GLU A 683 20.393 -7.694 -2.306 1.00 1.48 C ATOM 913 CD GLU A 683 21.049 -7.834 -0.946 1.00 2.22 C ATOM 914 OE1 GLU A 683 22.013 -8.620 -0.820 1.00 2.83 O ATOM 915 OE2 GLU A 683 20.612 -7.148 0.002 1.00 2.76 O ATOM 0 H GLU A 683 17.149 -10.064 -2.773 1.00 0.78 H new ATOM 0 HA GLU A 683 18.745 -9.027 -0.538 1.00 0.79 H new ATOM 0 HB2 GLU A 683 19.850 -9.740 -2.621 1.00 0.99 H new ATOM 0 HB3 GLU A 683 18.889 -8.594 -3.535 1.00 0.99 H new ATOM 0 HG2 GLU A 683 21.158 -7.739 -3.081 1.00 1.48 H new ATOM 0 HG3 GLU A 683 19.922 -6.714 -2.380 1.00 1.48 H new ATOM 922 N LYS A 684 17.782 -6.735 -0.399 1.00 0.64 N ATOM 923 CA LYS A 684 17.022 -5.521 -0.147 1.00 0.59 C ATOM 924 C LYS A 684 17.298 -4.460 -1.209 1.00 0.52 C ATOM 925 O LYS A 684 18.446 -4.213 -1.584 1.00 0.69 O ATOM 926 CB LYS A 684 17.314 -4.966 1.254 1.00 0.70 C ATOM 927 CG LYS A 684 18.719 -4.401 1.432 1.00 0.85 C ATOM 928 CD LYS A 684 18.923 -3.843 2.831 1.00 0.94 C ATOM 929 CE LYS A 684 17.988 -2.675 3.125 1.00 1.09 C ATOM 930 NZ LYS A 684 18.185 -1.545 2.176 1.00 1.72 N ATOM 0 H LYS A 684 18.525 -6.918 0.275 1.00 0.64 H new ATOM 0 HA LYS A 684 15.965 -5.783 -0.199 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.590 -4.182 1.478 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.161 -5.760 1.985 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.454 -5.183 1.241 1.00 0.85 H new ATOM 0 HG3 LYS A 684 18.892 -3.615 0.697 1.00 0.85 H new ATOM 0 HD2 LYS A 684 18.757 -4.633 3.564 1.00 0.94 H new ATOM 0 HD3 LYS A 684 19.957 -3.516 2.943 1.00 0.94 H new ATOM 0 HE2 LYS A 684 16.954 -3.017 3.071 1.00 1.09 H new ATOM 0 HE3 LYS A 684 18.155 -2.325 4.144 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.590 -0.742 2.464 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 19.184 -1.256 2.183 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 17.919 -1.847 1.217 1.00 1.72 H new ATOM 944 N ASP A 685 16.228 -3.849 -1.691 1.00 0.36 N ATOM 945 CA ASP A 685 16.317 -2.774 -2.669 1.00 0.32 C ATOM 946 C ASP A 685 15.173 -1.793 -2.451 1.00 0.27 C ATOM 947 O ASP A 685 14.022 -2.102 -2.761 1.00 0.26 O ATOM 948 CB ASP A 685 16.258 -3.320 -4.100 1.00 0.35 C ATOM 949 CG ASP A 685 16.290 -2.207 -5.130 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.396 -1.772 -5.515 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.209 -1.755 -5.556 1.00 1.68 O ATOM 0 H ASP A 685 15.274 -4.083 -1.417 1.00 0.36 H new ATOM 0 HA ASP A 685 17.273 -2.268 -2.536 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.098 -3.994 -4.267 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.349 -3.907 -4.228 1.00 0.35 H new ATOM 956 N PRO A 686 15.471 -0.600 -1.895 1.00 0.29 N ATOM 957 CA PRO A 686 14.451 0.410 -1.554 1.00 0.29 C ATOM 958 C PRO A 686 13.516 0.758 -2.714 1.00 0.25 C ATOM 959 O PRO A 686 12.346 1.079 -2.498 1.00 0.25 O ATOM 960 CB PRO A 686 15.279 1.637 -1.163 1.00 0.37 C ATOM 961 CG PRO A 686 16.578 1.083 -0.694 1.00 0.42 C ATOM 962 CD PRO A 686 16.832 -0.146 -1.534 1.00 0.37 C ATOM 0 HA PRO A 686 13.788 0.042 -0.771 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.418 2.308 -2.011 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.788 2.213 -0.378 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.380 1.811 -0.815 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.535 0.830 0.365 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.426 0.087 -2.418 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.376 -0.909 -0.977 1.00 0.37 H new ATOM 970 N GLN A 687 14.017 0.679 -3.939 1.00 0.25 N ATOM 971 CA GLN A 687 13.223 1.043 -5.104 1.00 0.27 C ATOM 972 C GLN A 687 12.157 -0.020 -5.357 1.00 0.23 C ATOM 973 O GLN A 687 10.965 0.291 -5.475 1.00 0.24 O ATOM 974 CB GLN A 687 14.124 1.227 -6.331 1.00 0.35 C ATOM 975 CG GLN A 687 13.481 2.018 -7.467 1.00 0.65 C ATOM 976 CD GLN A 687 12.514 1.208 -8.316 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.818 -0.061 -8.530 1.00 2.21 O flip ATOM 978 NE2 GLN A 687 11.520 1.734 -8.810 1.00 1.23 N flip ATOM 0 H GLN A 687 14.965 0.368 -4.151 1.00 0.25 H new ATOM 0 HA GLN A 687 12.723 1.993 -4.913 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.039 1.733 -6.023 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.414 0.245 -6.706 1.00 0.35 H new ATOM 0 HG2 GLN A 687 12.951 2.872 -7.046 1.00 0.65 H new ATOM 0 HG3 GLN A 687 14.267 2.415 -8.109 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.316 2.716 -8.623 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.898 1.189 -9.407 1.00 1.23 H new ATOM 987 N ARG A 688 12.582 -1.278 -5.389 1.00 0.22 N ATOM 988 CA ARG A 688 11.671 -2.382 -5.627 1.00 0.23 C ATOM 989 C ARG A 688 10.739 -2.536 -4.434 1.00 0.18 C ATOM 990 O ARG A 688 9.582 -2.933 -4.578 1.00 0.20 O ATOM 991 CB ARG A 688 12.455 -3.674 -5.862 1.00 0.29 C ATOM 992 CG ARG A 688 11.627 -4.802 -6.458 1.00 0.70 C ATOM 993 CD ARG A 688 12.490 -6.015 -6.756 1.00 0.78 C ATOM 994 NE ARG A 688 13.622 -5.673 -7.617 1.00 1.67 N ATOM 995 CZ ARG A 688 14.741 -6.389 -7.704 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.873 -7.519 -7.020 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.728 -5.974 -8.487 1.00 3.24 N ATOM 0 H ARG A 688 13.554 -1.555 -5.252 1.00 0.22 H new ATOM 0 HA ARG A 688 11.079 -2.174 -6.518 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.293 -3.462 -6.526 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.876 -4.008 -4.914 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.832 -5.079 -5.766 1.00 0.70 H new ATOM 0 HG3 ARG A 688 11.147 -4.460 -7.375 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.858 -6.439 -5.822 1.00 0.78 H new ATOM 0 HD3 ARG A 688 11.885 -6.783 -7.238 1.00 0.78 H new ATOM 0 HE ARG A 688 13.549 -4.831 -8.188 1.00 1.67 H new ATOM 0 HH11 ARG A 688 14.114 -7.845 -6.422 1.00 1.85 H new ATOM 0 HH12 ARG A 688 15.734 -8.061 -7.092 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.628 -5.110 -9.019 1.00 3.24 H new ATOM 0 HH22 ARG A 688 16.587 -6.519 -8.557 1.00 3.24 H new ATOM 1011 N SER A 689 11.260 -2.205 -3.255 1.00 0.16 N ATOM 1012 CA SER A 689 10.456 -2.167 -2.046 1.00 0.17 C ATOM 1013 C SER A 689 9.254 -1.260 -2.246 1.00 0.15 C ATOM 1014 O SER A 689 8.117 -1.672 -2.010 1.00 0.16 O ATOM 1015 CB SER A 689 11.281 -1.670 -0.860 1.00 0.21 C ATOM 1016 OG SER A 689 12.458 -2.437 -0.699 1.00 1.11 O ATOM 0 H SER A 689 12.240 -1.959 -3.116 1.00 0.16 H new ATOM 0 HA SER A 689 10.114 -3.180 -1.834 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.544 -0.623 -1.010 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.683 -1.722 0.050 1.00 0.21 H new ATOM 0 HG SER A 689 13.034 -2.321 -1.484 1.00 1.11 H new ATOM 1022 N GLY A 690 9.489 -0.034 -2.718 1.00 0.16 N ATOM 1023 CA GLY A 690 8.398 0.883 -2.933 1.00 0.18 C ATOM 1024 C GLY A 690 7.505 0.446 -4.069 1.00 0.17 C ATOM 1025 O GLY A 690 6.300 0.680 -4.031 1.00 0.19 O ATOM 0 H GLY A 690 10.413 0.331 -2.951 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.808 0.965 -2.020 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.796 1.875 -3.146 1.00 0.18 H new ATOM 1029 N ASP A 691 8.090 -0.195 -5.079 1.00 0.17 N ATOM 1030 CA ASP A 691 7.301 -0.730 -6.191 1.00 0.20 C ATOM 1031 C ASP A 691 6.283 -1.732 -5.664 1.00 0.18 C ATOM 1032 O ASP A 691 5.084 -1.620 -5.928 1.00 0.22 O ATOM 1033 CB ASP A 691 8.197 -1.405 -7.240 1.00 0.26 C ATOM 1034 CG ASP A 691 7.393 -2.074 -8.343 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.049 -1.394 -9.337 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.108 -3.282 -8.231 1.00 1.54 O ATOM 0 H ASP A 691 9.095 -0.356 -5.152 1.00 0.17 H new ATOM 0 HA ASP A 691 6.786 0.102 -6.671 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.862 -0.661 -7.679 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.828 -2.148 -6.752 1.00 0.26 H new ATOM 1041 N LEU A 692 6.760 -2.688 -4.877 1.00 0.16 N ATOM 1042 CA LEU A 692 5.890 -3.716 -4.331 1.00 0.16 C ATOM 1043 C LEU A 692 4.937 -3.141 -3.288 1.00 0.15 C ATOM 1044 O LEU A 692 3.802 -3.585 -3.186 1.00 0.16 O ATOM 1045 CB LEU A 692 6.701 -4.868 -3.734 1.00 0.20 C ATOM 1046 CG LEU A 692 6.865 -6.098 -4.632 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.508 -6.719 -4.927 1.00 1.35 C ATOM 1048 CD2 LEU A 692 7.585 -5.743 -5.925 1.00 0.73 C ATOM 0 H LEU A 692 7.740 -2.771 -4.605 1.00 0.16 H new ATOM 0 HA LEU A 692 5.295 -4.108 -5.156 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.692 -4.495 -3.475 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.225 -5.180 -2.804 1.00 0.20 H new ATOM 0 HG LEU A 692 7.476 -6.828 -4.101 1.00 0.48 H new ATOM 0 HD11 LEU A 692 5.639 -7.592 -5.566 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.035 -7.021 -3.992 1.00 1.35 H new ATOM 0 HD13 LEU A 692 4.877 -5.989 -5.434 1.00 1.35 H new ATOM 0 HD21 LEU A 692 7.687 -6.636 -6.542 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.011 -4.991 -6.467 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.574 -5.347 -5.694 1.00 0.73 H new ATOM 1060 N TYR A 693 5.390 -2.152 -2.521 1.00 0.15 N ATOM 1061 CA TYR A 693 4.521 -1.511 -1.534 1.00 0.17 C ATOM 1062 C TYR A 693 3.415 -0.700 -2.210 1.00 0.18 C ATOM 1063 O TYR A 693 2.271 -0.707 -1.756 1.00 0.20 O ATOM 1064 CB TYR A 693 5.312 -0.624 -0.563 1.00 0.21 C ATOM 1065 CG TYR A 693 5.826 -1.366 0.653 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.941 -1.987 1.527 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.186 -1.445 0.935 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.394 -2.665 2.641 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.647 -2.123 2.048 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.746 -2.731 2.897 1.00 1.05 C ATOM 1071 OH TYR A 693 7.198 -3.408 4.004 1.00 1.33 O ATOM 0 H TYR A 693 6.339 -1.780 -2.561 1.00 0.15 H new ATOM 0 HA TYR A 693 4.060 -2.312 -0.956 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.156 -0.182 -1.093 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.676 0.198 -0.235 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.880 -1.938 1.331 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.894 -0.968 0.273 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.692 -3.142 3.309 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.706 -2.176 2.252 1.00 0.96 H new ATOM 0 HH TYR A 693 8.176 -3.361 4.039 1.00 1.33 H new ATOM 1081 N THR A 694 3.741 -0.018 -3.303 1.00 0.19 N ATOM 1082 CA THR A 694 2.736 0.754 -4.024 1.00 0.22 C ATOM 1083 C THR A 694 1.778 -0.181 -4.746 1.00 0.20 C ATOM 1084 O THR A 694 0.572 0.069 -4.799 1.00 0.21 O ATOM 1085 CB THR A 694 3.356 1.751 -5.028 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.390 1.115 -5.787 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.921 2.965 -4.308 1.00 0.31 C ATOM 0 H THR A 694 4.678 0.016 -3.704 1.00 0.19 H new ATOM 0 HA THR A 694 2.194 1.341 -3.283 1.00 0.22 H new ATOM 0 HB THR A 694 2.567 2.082 -5.704 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.249 1.230 -5.330 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.352 3.652 -5.036 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.123 3.468 -3.762 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.694 2.646 -3.609 1.00 0.31 H new ATOM 1095 N GLN A 695 2.310 -1.279 -5.272 1.00 0.19 N ATOM 1096 CA GLN A 695 1.472 -2.294 -5.887 1.00 0.20 C ATOM 1097 C GLN A 695 0.609 -2.971 -4.831 1.00 0.17 C ATOM 1098 O GLN A 695 -0.555 -3.287 -5.076 1.00 0.18 O ATOM 1099 CB GLN A 695 2.317 -3.329 -6.634 1.00 0.25 C ATOM 1100 CG GLN A 695 2.868 -2.827 -7.964 1.00 0.85 C ATOM 1101 CD GLN A 695 1.775 -2.371 -8.918 1.00 1.44 C ATOM 1102 OE1 GLN A 695 1.989 -1.486 -9.746 1.00 2.09 O ATOM 1103 NE2 GLN A 695 0.602 -2.981 -8.818 1.00 2.13 N ATOM 0 H GLN A 695 3.309 -1.485 -5.284 1.00 0.19 H new ATOM 0 HA GLN A 695 0.822 -1.806 -6.614 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.148 -3.633 -5.998 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.712 -4.217 -6.814 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.552 -1.999 -7.780 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.448 -3.621 -8.435 1.00 0.85 H new ATOM 0 HE21 GLN A 695 0.464 -3.710 -8.118 1.00 2.13 H new ATOM 0 HE22 GLN A 695 -0.163 -2.721 -9.441 1.00 2.13 H new ATOM 1112 N ALA A 696 1.181 -3.182 -3.649 1.00 0.16 N ATOM 1113 CA ALA A 696 0.434 -3.719 -2.528 1.00 0.16 C ATOM 1114 C ALA A 696 -0.671 -2.764 -2.116 1.00 0.16 C ATOM 1115 O ALA A 696 -1.776 -3.193 -1.796 1.00 0.16 O ATOM 1116 CB ALA A 696 1.351 -4.008 -1.348 1.00 0.18 C ATOM 0 H ALA A 696 2.162 -2.987 -3.448 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.018 -4.659 -2.846 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.765 -4.410 -0.521 1.00 0.18 H new ATOM 0 HB2 ALA A 696 2.107 -4.736 -1.644 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.839 -3.086 -1.032 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.389 -1.462 -2.147 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.398 -0.470 -1.824 1.00 0.17 C ATOM 1124 C ALA A 697 -2.476 -0.458 -2.892 1.00 0.16 C ATOM 1125 O ALA A 697 -3.654 -0.270 -2.598 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.775 0.912 -1.690 1.00 0.20 C ATOM 0 H ALA A 697 0.524 -1.078 -2.391 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.848 -0.735 -0.867 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.550 1.639 -1.448 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.029 0.899 -0.896 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.299 1.189 -2.631 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.060 -0.670 -4.135 1.00 0.17 N ATOM 1133 CA GLU A 698 -2.992 -0.783 -5.240 1.00 0.20 C ATOM 1134 C GLU A 698 -3.916 -1.977 -5.020 1.00 0.18 C ATOM 1135 O GLU A 698 -5.134 -1.871 -5.163 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.227 -0.922 -6.560 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.122 -1.100 -7.774 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.341 -1.146 -9.068 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.085 -2.258 -9.580 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -1.988 -0.069 -9.588 1.00 1.40 O ATOM 0 H GLU A 698 -1.079 -0.767 -4.399 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.601 0.120 -5.291 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.607 -0.037 -6.704 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.553 -1.775 -6.490 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -3.695 -2.021 -7.667 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.840 -0.281 -7.816 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.331 -3.106 -4.632 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.102 -4.308 -4.346 1.00 0.18 C ATOM 1149 C ALA A 699 -4.958 -4.115 -3.097 1.00 0.15 C ATOM 1150 O ALA A 699 -6.026 -4.709 -2.959 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.171 -5.498 -4.174 1.00 0.21 C ATOM 0 H ALA A 699 -2.324 -3.212 -4.509 1.00 0.17 H new ATOM 0 HA ALA A 699 -4.767 -4.502 -5.188 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -3.758 -6.391 -3.961 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.601 -5.649 -5.090 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.486 -5.308 -3.348 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.481 -3.269 -2.195 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.212 -2.960 -0.976 1.00 0.13 C ATOM 1159 C ALA A 700 -6.441 -2.123 -1.296 1.00 0.13 C ATOM 1160 O ALA A 700 -7.546 -2.441 -0.867 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.320 -2.239 0.022 1.00 0.14 C ATOM 0 H ALA A 700 -3.588 -2.784 -2.286 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.537 -3.897 -0.524 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.889 -2.018 0.925 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.470 -2.873 0.274 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.961 -1.308 -0.417 1.00 0.14 H new ATOM 1167 N MET A 701 -6.249 -1.068 -2.080 1.00 0.15 N ATOM 1168 CA MET A 701 -7.354 -0.198 -2.460 1.00 0.20 C ATOM 1169 C MET A 701 -8.289 -0.923 -3.425 1.00 0.23 C ATOM 1170 O MET A 701 -9.474 -0.601 -3.517 1.00 0.28 O ATOM 1171 CB MET A 701 -6.837 1.109 -3.075 1.00 0.27 C ATOM 1172 CG MET A 701 -6.243 0.958 -4.466 1.00 0.44 C ATOM 1173 SD MET A 701 -5.600 2.511 -5.117 1.00 0.74 S ATOM 1174 CE MET A 701 -5.102 2.006 -6.761 1.00 0.76 C ATOM 0 H MET A 701 -5.343 -0.796 -2.463 1.00 0.15 H new ATOM 0 HA MET A 701 -7.916 0.058 -1.562 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.658 1.825 -3.120 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.081 1.533 -2.414 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.441 0.221 -4.436 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.005 0.572 -5.143 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.389 2.773 -7.480 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.021 1.870 -6.788 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.592 1.067 -7.017 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.751 -1.907 -4.145 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.570 -2.786 -4.971 1.00 0.31 C ATOM 1186 C GLU A 702 -9.481 -3.626 -4.087 1.00 0.29 C ATOM 1187 O GLU A 702 -10.667 -3.791 -4.366 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.688 -3.710 -5.809 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.472 -4.770 -6.567 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.585 -5.833 -7.171 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.187 -5.687 -8.343 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.269 -6.817 -6.471 1.00 2.58 O ATOM 0 H GLU A 702 -6.752 -2.113 -4.171 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.172 -2.169 -5.638 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.120 -3.111 -6.521 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -6.965 -4.200 -5.157 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.186 -5.240 -5.891 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.049 -4.292 -7.358 1.00 1.14 H new ATOM 1199 N ALA A 703 -8.914 -4.130 -3.001 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.639 -4.989 -2.081 1.00 0.32 C ATOM 1201 C ALA A 703 -10.473 -4.167 -1.102 1.00 0.33 C ATOM 1202 O ALA A 703 -10.900 -4.668 -0.060 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.668 -5.885 -1.328 1.00 0.39 C ATOM 0 H ALA A 703 -7.945 -3.956 -2.735 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.320 -5.612 -2.661 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.222 -6.525 -0.641 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.119 -6.504 -2.038 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.967 -5.269 -0.765 1.00 0.39 H new ATOM 1209 N MET A 704 -10.689 -2.896 -1.449 1.00 0.33 N ATOM 1210 CA MET A 704 -11.471 -1.974 -0.630 1.00 0.44 C ATOM 1211 C MET A 704 -10.873 -1.862 0.766 1.00 0.41 C ATOM 1212 O MET A 704 -11.580 -1.928 1.771 1.00 0.58 O ATOM 1213 CB MET A 704 -12.940 -2.414 -0.560 1.00 0.61 C ATOM 1214 CG MET A 704 -13.651 -2.377 -1.903 1.00 1.01 C ATOM 1215 SD MET A 704 -13.710 -0.721 -2.621 1.00 2.03 S ATOM 1216 CE MET A 704 -14.757 0.130 -1.441 1.00 2.61 C ATOM 0 H MET A 704 -10.326 -2.479 -2.306 1.00 0.33 H new ATOM 0 HA MET A 704 -11.438 -0.990 -1.098 1.00 0.44 H new ATOM 0 HB2 MET A 704 -12.989 -3.427 -0.160 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.471 -1.769 0.141 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.145 -3.050 -2.595 1.00 1.01 H new ATOM 0 HG3 MET A 704 -14.667 -2.751 -1.781 1.00 1.01 H new ATOM 0 HE1 MET A 704 -15.104 1.069 -1.873 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.615 -0.496 -1.198 1.00 2.61 H new ATOM 0 HE3 MET A 704 -14.190 0.336 -0.533 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.559 -1.733 0.813 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.838 -1.567 2.064 1.00 0.34 C ATOM 1228 C LYS A 705 -8.040 -0.273 2.026 1.00 0.31 C ATOM 1229 O LYS A 705 -6.826 -0.279 1.799 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.917 -2.767 2.310 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.670 -4.079 2.437 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.479 -4.131 3.722 1.00 0.70 C ATOM 1233 CE LYS A 705 -10.644 -5.098 3.604 1.00 1.02 C ATOM 1234 NZ LYS A 705 -11.615 -4.654 2.566 1.00 1.59 N ATOM 0 H LYS A 705 -8.962 -1.740 -0.014 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.552 -1.514 2.886 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.202 -2.843 1.491 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.342 -2.595 3.220 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.334 -4.203 1.582 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.964 -4.909 2.416 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.835 -4.434 4.547 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.853 -3.135 3.959 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.271 -6.091 3.354 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -11.150 -5.180 4.566 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -12.558 -5.032 2.788 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -11.654 -3.615 2.549 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -11.312 -5.004 1.635 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.741 0.834 2.233 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.135 2.142 2.127 1.00 0.47 C ATOM 1250 C GLY A 706 -7.054 2.392 3.158 1.00 0.42 C ATOM 1251 O GLY A 706 -6.020 2.981 2.837 1.00 0.40 O ATOM 0 H GLY A 706 -9.732 0.845 2.476 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.709 2.257 1.130 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.909 2.902 2.232 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.274 1.947 4.391 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.298 2.174 5.451 1.00 0.47 C ATOM 1257 C ARG A 707 -5.012 1.401 5.168 1.00 0.38 C ATOM 1258 O ARG A 707 -3.905 1.926 5.328 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.853 1.771 6.817 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.905 2.112 7.950 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.432 1.659 9.296 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.526 2.056 10.369 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.155 1.266 11.373 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.637 0.033 11.473 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -4.290 1.709 12.277 1.00 3.90 N ATOM 0 H ARG A 707 -8.107 1.434 4.679 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.079 3.242 5.472 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.806 2.273 6.981 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.052 0.699 6.823 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.938 1.645 7.765 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.740 3.189 7.971 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -7.418 2.090 9.469 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.553 0.576 9.298 1.00 1.28 H new ATOM 0 HE ARG A 707 -5.151 3.004 10.348 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.297 -0.315 10.777 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.348 -0.567 12.246 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -3.911 2.653 12.201 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -4.004 1.105 13.048 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.165 0.153 4.739 1.00 0.32 N ATOM 1280 CA LEU A 708 -4.021 -0.675 4.379 1.00 0.30 C ATOM 1281 C LEU A 708 -3.260 -0.033 3.228 1.00 0.23 C ATOM 1282 O LEU A 708 -2.028 0.055 3.251 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.466 -2.091 3.986 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.717 -3.074 5.141 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.444 -3.299 5.939 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.837 -2.588 6.050 1.00 1.02 C ATOM 0 H LEU A 708 -6.069 -0.307 4.632 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.368 -0.752 5.248 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.382 -2.011 3.400 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.706 -2.519 3.332 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.028 -4.024 4.706 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.643 -3.998 6.752 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.674 -3.711 5.287 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.101 -2.350 6.352 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.989 -3.306 6.856 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.569 -1.620 6.472 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.757 -2.490 5.473 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.014 0.416 2.229 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.449 1.126 1.092 1.00 0.18 C ATOM 1300 C ALA A 709 -2.671 2.350 1.552 1.00 0.19 C ATOM 1301 O ALA A 709 -1.540 2.574 1.125 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.546 1.521 0.112 1.00 0.21 C ATOM 0 H ALA A 709 -5.026 0.298 2.187 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.756 0.458 0.581 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.106 2.051 -0.733 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.053 0.625 -0.246 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.265 2.170 0.613 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.278 3.126 2.445 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.640 4.317 2.992 1.00 0.29 C ATOM 1310 C ASN A 710 -1.325 3.962 3.680 1.00 0.25 C ATOM 1311 O ASN A 710 -0.297 4.579 3.409 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.581 5.018 3.981 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.974 6.260 4.622 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.247 6.557 5.781 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.167 7.003 3.874 1.00 1.45 N ATOM 0 H ASN A 710 -4.215 2.949 2.806 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.423 4.996 2.167 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.498 5.298 3.462 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.861 4.314 4.765 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.752 7.851 4.259 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -1.962 6.725 2.914 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.359 2.965 4.562 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.159 2.532 5.276 1.00 0.26 C ATOM 1324 C GLN A 711 0.936 2.069 4.313 1.00 0.22 C ATOM 1325 O GLN A 711 2.068 2.546 4.371 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.495 1.405 6.257 1.00 0.32 C ATOM 1327 CG GLN A 711 0.726 0.865 6.988 1.00 1.24 C ATOM 1328 CD GLN A 711 0.410 -0.297 7.916 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -0.608 -1.082 7.579 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 1.085 -0.493 8.928 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.202 2.443 4.799 1.00 0.25 H new ATOM 0 HA GLN A 711 0.217 3.393 5.829 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.216 1.771 6.988 1.00 0.32 H new ATOM 0 HB3 GLN A 711 -0.976 0.591 5.715 1.00 0.32 H new ATOM 0 HG2 GLN A 711 1.466 0.544 6.255 1.00 1.24 H new ATOM 0 HG3 GLN A 711 1.179 1.670 7.567 1.00 1.24 H new ATOM 0 HE21 GLN A 711 1.859 0.132 9.154 1.00 1.09 H new ATOM 0 HE22 GLN A 711 0.870 -1.280 9.540 1.00 1.09 H new ATOM 1339 N TYR A 712 0.607 1.126 3.442 1.00 0.20 N ATOM 1340 CA TYR A 712 1.596 0.602 2.502 1.00 0.20 C ATOM 1341 C TYR A 712 2.110 1.692 1.562 1.00 0.20 C ATOM 1342 O TYR A 712 3.283 1.681 1.178 1.00 0.21 O ATOM 1343 CB TYR A 712 1.044 -0.597 1.727 1.00 0.22 C ATOM 1344 CG TYR A 712 0.724 -1.773 2.626 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.478 -2.026 3.767 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.332 -2.621 2.340 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.184 -3.088 4.598 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.631 -3.691 3.166 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.130 -3.916 4.294 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.166 -4.973 5.128 1.00 0.44 O ATOM 0 H TYR A 712 -0.322 0.711 3.364 1.00 0.20 H new ATOM 0 HA TYR A 712 2.449 0.251 3.084 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.142 -0.296 1.193 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.771 -0.906 0.976 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.309 -1.379 4.007 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.932 -2.445 1.459 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.778 -3.267 5.482 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.456 -4.346 2.928 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.939 -5.462 4.775 1.00 0.44 H new ATOM 1360 N TYR A 713 1.262 2.661 1.227 1.00 0.21 N ATOM 1361 CA TYR A 713 1.706 3.790 0.422 1.00 0.25 C ATOM 1362 C TYR A 713 2.616 4.683 1.264 1.00 0.23 C ATOM 1363 O TYR A 713 3.603 5.232 0.771 1.00 0.25 O ATOM 1364 CB TYR A 713 0.512 4.588 -0.113 1.00 0.32 C ATOM 1365 CG TYR A 713 0.885 5.565 -1.206 1.00 0.73 C ATOM 1366 CD1 TYR A 713 0.981 6.927 -0.948 1.00 1.81 C ATOM 1367 CD2 TYR A 713 1.147 5.119 -2.495 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.330 7.816 -1.946 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.494 6.003 -3.497 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.585 7.350 -3.218 1.00 2.20 C ATOM 1371 OH TYR A 713 1.937 8.235 -4.214 1.00 2.95 O ATOM 0 H TYR A 713 0.279 2.686 1.497 1.00 0.21 H new ATOM 0 HA TYR A 713 2.262 3.415 -0.437 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.237 3.895 -0.495 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.051 5.134 0.710 1.00 0.32 H new ATOM 0 HD1 TYR A 713 0.780 7.296 0.047 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.078 4.064 -2.717 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.403 8.872 -1.731 1.00 2.50 H new ATOM 0 HE2 TYR A 713 1.693 5.641 -4.495 1.00 1.50 H new ATOM 0 HH TYR A 713 2.083 7.745 -5.050 1.00 2.95 H new ATOM 1381 N GLN A 714 2.280 4.797 2.549 1.00 0.24 N ATOM 1382 CA GLN A 714 3.111 5.504 3.517 1.00 0.28 C ATOM 1383 C GLN A 714 4.478 4.854 3.614 1.00 0.23 C ATOM 1384 O GLN A 714 5.499 5.531 3.748 1.00 0.26 O ATOM 1385 CB GLN A 714 2.445 5.497 4.898 1.00 0.36 C ATOM 1386 CG GLN A 714 3.413 5.764 6.042 1.00 0.65 C ATOM 1387 CD GLN A 714 2.759 5.695 7.407 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.489 6.063 7.485 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 3.399 5.321 8.391 1.00 1.98 N flip ATOM 0 H GLN A 714 1.427 4.403 2.945 1.00 0.24 H new ATOM 0 HA GLN A 714 3.226 6.534 3.179 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.657 6.250 4.916 1.00 0.36 H new ATOM 0 HB3 GLN A 714 1.966 4.531 5.056 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.225 5.038 5.999 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.859 6.750 5.909 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.376 5.046 8.289 1.00 1.98 H new ATOM 0 HE22 GLN A 714 2.952 5.287 9.307 1.00 1.98 H new ATOM 1398 N LYS A 715 4.497 3.538 3.483 1.00 0.21 N ATOM 1399 CA LYS A 715 5.724 2.791 3.659 1.00 0.22 C ATOM 1400 C LYS A 715 6.525 2.850 2.369 1.00 0.20 C ATOM 1401 O LYS A 715 7.751 2.824 2.387 1.00 0.23 O ATOM 1402 CB LYS A 715 5.434 1.339 4.063 1.00 0.27 C ATOM 1403 CG LYS A 715 6.683 0.474 4.231 1.00 0.61 C ATOM 1404 CD LYS A 715 7.605 0.969 5.342 1.00 0.86 C ATOM 1405 CE LYS A 715 6.949 0.882 6.716 1.00 1.16 C ATOM 1406 NZ LYS A 715 6.605 -0.518 7.084 1.00 1.67 N ATOM 0 H LYS A 715 3.680 2.971 3.257 1.00 0.21 H new ATOM 0 HA LYS A 715 6.305 3.237 4.466 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.877 1.339 5.000 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.790 0.886 3.309 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.382 -0.551 4.446 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.234 0.454 3.291 1.00 0.61 H new ATOM 0 HD2 LYS A 715 8.522 0.379 5.341 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.890 2.002 5.142 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.622 1.299 7.466 1.00 1.16 H new ATOM 0 HE3 LYS A 715 6.045 1.491 6.725 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 6.353 -0.560 8.092 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 5.798 -0.839 6.512 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.423 -1.135 6.906 1.00 1.67 H new ATOM 1420 N ALA A 716 5.818 2.951 1.247 1.00 0.17 N ATOM 1421 CA ALA A 716 6.459 3.152 -0.041 1.00 0.18 C ATOM 1422 C ALA A 716 7.145 4.509 -0.081 1.00 0.21 C ATOM 1423 O ALA A 716 8.332 4.614 -0.418 1.00 0.25 O ATOM 1424 CB ALA A 716 5.435 3.048 -1.159 1.00 0.21 C ATOM 0 H ALA A 716 4.800 2.896 1.208 1.00 0.17 H new ATOM 0 HA ALA A 716 7.211 2.376 -0.182 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.928 3.201 -2.119 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.975 2.060 -1.140 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.667 3.809 -1.021 1.00 0.21 H new ATOM 1430 N GLU A 717 6.389 5.545 0.272 1.00 0.24 N ATOM 1431 CA GLU A 717 6.922 6.894 0.339 1.00 0.32 C ATOM 1432 C GLU A 717 8.088 6.948 1.315 1.00 0.31 C ATOM 1433 O GLU A 717 9.136 7.499 1.000 1.00 0.33 O ATOM 1434 CB GLU A 717 5.817 7.877 0.751 1.00 0.45 C ATOM 1435 CG GLU A 717 6.286 9.317 0.920 1.00 1.26 C ATOM 1436 CD GLU A 717 6.954 9.876 -0.321 1.00 1.60 C ATOM 1437 OE1 GLU A 717 8.093 10.371 -0.212 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.349 9.826 -1.410 1.00 2.04 O ATOM 0 H GLU A 717 5.401 5.471 0.516 1.00 0.24 H new ATOM 0 HA GLU A 717 7.288 7.183 -0.646 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.026 7.851 0.001 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.378 7.538 1.689 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.432 9.943 1.178 1.00 1.26 H new ATOM 0 HG3 GLU A 717 6.984 9.370 1.756 1.00 1.26 H new ATOM 1445 N GLU A 718 7.906 6.344 2.486 1.00 0.31 N ATOM 1446 CA GLU A 718 8.955 6.301 3.496 1.00 0.36 C ATOM 1447 C GLU A 718 10.184 5.557 2.970 1.00 0.33 C ATOM 1448 O GLU A 718 11.317 5.983 3.199 1.00 0.36 O ATOM 1449 CB GLU A 718 8.428 5.630 4.762 1.00 0.43 C ATOM 1450 CG GLU A 718 9.384 5.693 5.940 1.00 1.06 C ATOM 1451 CD GLU A 718 8.797 5.067 7.184 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.058 5.759 7.911 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.076 3.874 7.445 1.00 2.20 O ATOM 0 H GLU A 718 7.040 5.878 2.758 1.00 0.31 H new ATOM 0 HA GLU A 718 9.253 7.322 3.733 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.487 6.102 5.046 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.208 4.585 4.542 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.311 5.182 5.681 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.639 6.733 6.144 1.00 1.06 H new ATOM 1460 N ALA A 719 9.951 4.457 2.258 1.00 0.28 N ATOM 1461 CA ALA A 719 11.033 3.672 1.675 1.00 0.29 C ATOM 1462 C ALA A 719 11.891 4.528 0.757 1.00 0.30 C ATOM 1463 O ALA A 719 13.111 4.598 0.923 1.00 0.37 O ATOM 1464 CB ALA A 719 10.484 2.473 0.913 1.00 0.28 C ATOM 0 H ALA A 719 9.018 4.089 2.071 1.00 0.28 H new ATOM 0 HA ALA A 719 11.657 3.308 2.491 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.310 1.903 0.487 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.917 1.838 1.594 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.831 2.819 0.112 1.00 0.28 H new ATOM 1470 N TRP A 720 11.252 5.194 -0.200 1.00 0.26 N ATOM 1471 CA TRP A 720 11.979 6.040 -1.146 1.00 0.28 C ATOM 1472 C TRP A 720 12.530 7.294 -0.465 1.00 0.33 C ATOM 1473 O TRP A 720 13.618 7.769 -0.801 1.00 0.36 O ATOM 1474 CB TRP A 720 11.095 6.442 -2.333 1.00 0.29 C ATOM 1475 CG TRP A 720 10.699 5.297 -3.223 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.462 4.212 -3.565 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.449 5.138 -3.911 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.755 3.388 -4.410 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.522 3.935 -4.637 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.275 5.894 -3.978 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.469 3.475 -5.422 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.230 5.435 -4.758 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.332 4.235 -5.470 1.00 0.45 C ATOM 0 H TRP A 720 10.242 5.167 -0.342 1.00 0.26 H new ATOM 0 HA TRP A 720 12.816 5.449 -1.519 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.193 6.921 -1.953 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.624 7.185 -2.930 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.470 4.030 -3.222 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.095 2.511 -4.804 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.186 6.820 -3.430 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.546 2.550 -5.974 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.319 6.013 -4.819 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.497 3.902 -6.069 1.00 0.45 H new ATOM 1494 N ALA A 721 11.784 7.828 0.494 1.00 0.39 N ATOM 1495 CA ALA A 721 12.184 9.047 1.182 1.00 0.49 C ATOM 1496 C ALA A 721 13.406 8.817 2.057 1.00 0.57 C ATOM 1497 O ALA A 721 14.265 9.691 2.170 1.00 0.64 O ATOM 1498 CB ALA A 721 11.039 9.592 2.021 1.00 0.58 C ATOM 0 H ALA A 721 10.898 7.435 0.813 1.00 0.39 H new ATOM 0 HA ALA A 721 12.445 9.781 0.420 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.360 10.503 2.526 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.189 9.815 1.376 1.00 0.58 H new ATOM 0 HB3 ALA A 721 10.746 8.849 2.763 1.00 0.58 H new ATOM 1504 N GLN A 722 13.485 7.650 2.681 1.00 0.64 N ATOM 1505 CA GLN A 722 14.589 7.372 3.582 1.00 0.84 C ATOM 1506 C GLN A 722 15.798 6.833 2.828 1.00 0.87 C ATOM 1507 O GLN A 722 16.843 7.482 2.812 1.00 1.25 O ATOM 1508 CB GLN A 722 14.152 6.369 4.652 1.00 1.18 C ATOM 1509 CG GLN A 722 15.196 6.137 5.732 1.00 1.44 C ATOM 1510 CD GLN A 722 14.734 5.175 6.810 1.00 1.91 C ATOM 1511 OE1 GLN A 722 13.433 5.142 7.072 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 15.542 4.466 7.407 1.00 2.33 N flip ATOM 0 H GLN A 722 12.809 6.893 2.581 1.00 0.64 H new ATOM 0 HA GLN A 722 14.878 8.309 4.059 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.233 6.725 5.118 1.00 1.18 H new ATOM 0 HB3 GLN A 722 13.919 5.418 4.173 1.00 1.18 H new ATOM 0 HG2 GLN A 722 16.105 5.749 5.273 1.00 1.44 H new ATOM 0 HG3 GLN A 722 15.453 7.091 6.191 1.00 1.44 H new ATOM 0 HE21 GLN A 722 16.534 4.519 7.178 1.00 2.33 H new ATOM 0 HE22 GLN A 722 15.220 3.824 8.132 1.00 2.33 H new ATOM 1521 N MET A 723 15.624 5.687 2.159 1.00 0.99 N ATOM 1522 CA MET A 723 16.727 4.975 1.487 1.00 1.31 C ATOM 1523 C MET A 723 18.038 5.092 2.264 1.00 1.98 C ATOM 1524 O MET A 723 19.098 5.335 1.684 1.00 2.42 O ATOM 1525 CB MET A 723 16.930 5.483 0.053 1.00 1.25 C ATOM 1526 CG MET A 723 15.750 5.220 -0.867 1.00 0.96 C ATOM 1527 SD MET A 723 16.129 5.530 -2.604 1.00 1.60 S ATOM 1528 CE MET A 723 16.560 7.268 -2.564 1.00 2.19 C ATOM 0 H MET A 723 14.719 5.225 2.066 1.00 0.99 H new ATOM 0 HA MET A 723 16.441 3.924 1.452 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.123 6.555 0.082 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.818 5.010 -0.367 1.00 1.25 H new ATOM 0 HG2 MET A 723 15.428 4.185 -0.750 1.00 0.96 H new ATOM 0 HG3 MET A 723 14.913 5.850 -0.565 1.00 0.96 H new ATOM 0 HE1 MET A 723 16.320 7.724 -3.524 1.00 2.19 H new ATOM 0 HE2 MET A 723 15.995 7.765 -1.775 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.627 7.374 -2.368 1.00 2.19 H new ATOM 1538 N GLU A 724 17.959 4.906 3.572 1.00 2.33 N ATOM 1539 CA GLU A 724 19.096 5.126 4.449 1.00 3.03 C ATOM 1540 C GLU A 724 18.835 4.482 5.804 1.00 3.35 C ATOM 1541 O GLU A 724 18.486 5.153 6.780 1.00 3.82 O ATOM 1542 CB GLU A 724 19.349 6.632 4.601 1.00 3.31 C ATOM 1543 CG GLU A 724 20.504 6.990 5.522 1.00 3.60 C ATOM 1544 CD GLU A 724 21.829 6.435 5.053 1.00 4.24 C ATOM 1545 OE1 GLU A 724 22.302 5.437 5.634 1.00 4.88 O ATOM 1546 OE2 GLU A 724 22.389 6.974 4.078 1.00 4.47 O ATOM 0 H GLU A 724 17.112 4.601 4.052 1.00 2.33 H new ATOM 0 HA GLU A 724 19.985 4.668 4.015 1.00 3.03 H new ATOM 0 HB2 GLU A 724 19.543 7.056 3.616 1.00 3.31 H new ATOM 0 HB3 GLU A 724 18.441 7.103 4.978 1.00 3.31 H new ATOM 0 HG2 GLU A 724 20.578 8.075 5.598 1.00 3.60 H new ATOM 0 HG3 GLU A 724 20.293 6.614 6.523 1.00 3.60 H new ATOM 1553 N GLU A 725 18.978 3.173 5.849 1.00 3.48 N ATOM 1554 CA GLU A 725 18.756 2.420 7.065 1.00 4.01 C ATOM 1555 C GLU A 725 20.091 1.974 7.659 1.00 4.63 C ATOM 1556 O GLU A 725 20.567 2.642 8.597 1.00 5.05 O ATOM 1557 CB GLU A 725 17.809 1.228 6.812 1.00 4.09 C ATOM 1558 CG GLU A 725 18.291 0.201 5.787 1.00 4.80 C ATOM 1559 CD GLU A 725 18.356 0.731 4.367 1.00 5.11 C ATOM 1560 OE1 GLU A 725 17.356 0.589 3.625 1.00 5.31 O ATOM 1561 OE2 GLU A 725 19.387 1.320 3.990 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.686 0.994 7.164 1.00 5.02 O ATOM 0 H GLU A 725 19.250 2.604 5.047 1.00 3.48 H new ATOM 0 HA GLU A 725 18.266 3.065 7.794 1.00 4.01 H new ATOM 0 HB2 GLU A 725 17.639 0.716 7.759 1.00 4.09 H new ATOM 0 HB3 GLU A 725 16.846 1.617 6.483 1.00 4.09 H new ATOM 0 HG2 GLU A 725 19.281 -0.151 6.078 1.00 4.80 H new ATOM 0 HG3 GLU A 725 17.626 -0.662 5.812 1.00 4.80 H new TER 1569 GLU A 725