USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=32 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 631 CYS SG : rot 159:sc= -0.551! USER MOD Set 1.2: A 704 MET CE :methyl -162:sc= -0.771 (180deg=-0.899) USER MOD Set 2.1: A 665 TYR OH : rot 180:sc= -3.05! USER MOD Set 2.2: A 666 MET CE :methyl -156:sc= 0 (180deg=-0.0253) USER MOD Set 3.1: A 648 THR OG1 : rot -97:sc= 0.785 USER MOD Set 3.2: A 714 GLN :FLIP amide:sc= 0.685 F(o=-0.49!,f=1.5) USER MOD Single : A 624 SER OG : rot 176:sc= 0 USER MOD Single : A 625 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.4) USER MOD Single : A 626 MET CE :methyl 176:sc= 0 (180deg=-0.0316) USER MOD Single : A 627 SER OG : rot -78:sc= 0.667 USER MOD Single : A 632 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 639 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 641 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= 0.317 X(o=0.32,f=-0.0097) USER MOD Single : A 643 THR OG1 : rot -154:sc= 0.217 USER MOD Single : A 647 MET CE :methyl 167:sc= -0.0691 (180deg=-0.42) USER MOD Single : A 650 CYS SG : rot 180:sc= -0.326 USER MOD Single : A 656 TYR OH : rot 180:sc= -0.0947 USER MOD Single : A 659 MET CE :methyl -168:sc= -0.211 (180deg=-0.443) USER MOD Single : A 660 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 667 MET CE :methyl 140:sc= -0.905 (180deg=-2.49!) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.107 (180deg=-0.191) USER MOD Single : A 677 THR OG1 : rot -25:sc= 0.681 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -148:sc= 2.11 (180deg=0.995) USER MOD Single : A 687 GLN : amide:sc= 0.227 X(o=0.23,f=-0.086) USER MOD Single : A 689 SER OG : rot 63:sc= 0.851 USER MOD Single : A 693 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 694 THR OG1 : rot -86:sc= 1.26 USER MOD Single : A 695 GLN : amide:sc=-0.00582 K(o=-0.0058,f=-1.2) USER MOD Single : A 701 MET CE :methyl -115:sc= -0.0387 (180deg=-2.36!) USER MOD Single : A 705 LYS NZ :NH3+ 164:sc= 2.44 (180deg=2.31) USER MOD Single : A 710 ASN : amide:sc= 1.18 K(o=1.2,f=0.09) USER MOD Single : A 711 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.2!) USER MOD Single : A 712 TYR OH : rot 174:sc= -0.398 USER MOD Single : A 713 TYR OH : rot 180:sc= 0 USER MOD Single : A 715 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.18) USER MOD Single : A 722 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 723 MET CE :methyl -145:sc= -0.247 (180deg=-1.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -16.893 -8.062 13.622 1.00 15.53 N ATOM 2 CA GLY A 623 -17.699 -6.824 13.743 1.00 15.09 C ATOM 3 C GLY A 623 -17.137 -5.703 12.902 1.00 14.39 C ATOM 4 O GLY A 623 -16.212 -5.917 12.121 1.00 14.22 O ATOM 0 HA2 GLY A 623 -18.725 -7.028 13.438 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -17.733 -6.513 14.787 1.00 15.09 H new ATOM 10 N SER A 624 -17.689 -4.509 13.056 1.00 14.14 N ATOM 11 CA SER A 624 -17.226 -3.358 12.307 1.00 13.65 C ATOM 12 C SER A 624 -17.333 -2.099 13.156 1.00 12.93 C ATOM 13 O SER A 624 -18.199 -1.996 14.024 1.00 12.90 O ATOM 14 CB SER A 624 -18.038 -3.197 11.021 1.00 13.94 C ATOM 15 OG SER A 624 -17.540 -2.133 10.226 1.00 14.35 O ATOM 0 H SER A 624 -18.460 -4.315 13.695 1.00 14.14 H new ATOM 0 HA SER A 624 -16.180 -3.515 12.042 1.00 13.65 H new ATOM 0 HB2 SER A 624 -18.007 -4.125 10.450 1.00 13.94 H new ATOM 0 HB3 SER A 624 -19.083 -3.010 11.269 1.00 13.94 H new ATOM 0 HG SER A 624 -18.032 -2.099 9.379 1.00 14.35 H new ATOM 21 N HIS A 625 -16.437 -1.158 12.912 1.00 12.51 N ATOM 22 CA HIS A 625 -16.443 0.116 13.614 1.00 11.96 C ATOM 23 C HIS A 625 -16.006 1.216 12.657 1.00 11.32 C ATOM 24 O HIS A 625 -16.610 2.286 12.596 1.00 11.18 O ATOM 25 CB HIS A 625 -15.519 0.051 14.835 1.00 11.96 C ATOM 26 CG HIS A 625 -15.476 1.316 15.634 1.00 12.45 C ATOM 27 ND1 HIS A 625 -14.309 1.997 15.892 1.00 12.80 N ATOM 28 CD2 HIS A 625 -16.462 2.016 16.241 1.00 12.83 C ATOM 29 CE1 HIS A 625 -14.576 3.061 16.624 1.00 13.34 C ATOM 30 NE2 HIS A 625 -15.876 3.097 16.849 1.00 13.37 N ATOM 0 H HIS A 625 -15.688 -1.254 12.226 1.00 12.51 H new ATOM 0 HA HIS A 625 -17.450 0.336 13.968 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -15.845 -0.764 15.481 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -14.510 -0.191 14.502 1.00 11.96 H new ATOM 0 HD1 HIS A 625 -13.382 1.722 15.568 1.00 12.80 H new ATOM 0 HD2 HIS A 625 -17.514 1.770 16.246 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -13.853 3.781 16.979 1.00 13.34 H new ATOM 39 N MET A 626 -14.953 0.933 11.911 1.00 11.11 N ATOM 40 CA MET A 626 -14.518 1.800 10.830 1.00 10.60 C ATOM 41 C MET A 626 -14.752 1.091 9.503 1.00 9.72 C ATOM 42 O MET A 626 -14.628 -0.130 9.420 1.00 9.78 O ATOM 43 CB MET A 626 -13.036 2.163 10.989 1.00 11.28 C ATOM 44 CG MET A 626 -12.446 2.887 9.783 1.00 11.91 C ATOM 45 SD MET A 626 -13.309 4.418 9.371 1.00 12.79 S ATOM 46 CE MET A 626 -12.769 5.485 10.703 1.00 13.30 C ATOM 0 H MET A 626 -14.378 0.100 12.036 1.00 11.11 H new ATOM 0 HA MET A 626 -15.093 2.726 10.856 1.00 10.60 H new ATOM 0 HB2 MET A 626 -12.918 2.792 11.872 1.00 11.28 H new ATOM 0 HB3 MET A 626 -12.466 1.252 11.169 1.00 11.28 H new ATOM 0 HG2 MET A 626 -11.398 3.112 9.981 1.00 11.91 H new ATOM 0 HG3 MET A 626 -12.472 2.221 8.921 1.00 11.91 H new ATOM 0 HE1 MET A 626 -13.163 6.489 10.547 1.00 13.30 H new ATOM 0 HE2 MET A 626 -13.135 5.095 11.653 1.00 13.30 H new ATOM 0 HE3 MET A 626 -11.680 5.521 10.721 1.00 13.30 H new ATOM 56 N SER A 627 -15.117 1.843 8.480 1.00 9.08 N ATOM 57 CA SER A 627 -15.342 1.275 7.159 1.00 8.35 C ATOM 58 C SER A 627 -15.102 2.332 6.092 1.00 7.32 C ATOM 59 O SER A 627 -15.326 3.521 6.330 1.00 7.21 O ATOM 60 CB SER A 627 -16.773 0.737 7.040 1.00 8.70 C ATOM 61 OG SER A 627 -17.063 -0.187 8.075 1.00 9.26 O ATOM 0 H SER A 627 -15.265 2.851 8.537 1.00 9.08 H new ATOM 0 HA SER A 627 -14.644 0.450 7.015 1.00 8.35 H new ATOM 0 HB2 SER A 627 -17.480 1.566 7.081 1.00 8.70 H new ATOM 0 HB3 SER A 627 -16.903 0.254 6.071 1.00 8.70 H new ATOM 0 HG SER A 627 -16.656 -1.053 7.864 1.00 9.26 H new ATOM 67 N PRO A 628 -14.611 1.921 4.916 1.00 6.76 N ATOM 68 CA PRO A 628 -14.504 2.806 3.758 1.00 5.93 C ATOM 69 C PRO A 628 -15.880 3.090 3.160 1.00 5.48 C ATOM 70 O PRO A 628 -16.225 2.603 2.081 1.00 5.24 O ATOM 71 CB PRO A 628 -13.624 2.018 2.787 1.00 5.90 C ATOM 72 CG PRO A 628 -13.840 0.590 3.150 1.00 6.58 C ATOM 73 CD PRO A 628 -14.099 0.568 4.630 1.00 7.14 C ATOM 0 HA PRO A 628 -14.087 3.783 4.003 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -13.907 2.210 1.752 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -12.575 2.297 2.888 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -14.684 0.172 2.601 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -12.967 -0.012 2.899 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -14.825 -0.200 4.898 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -13.190 0.357 5.192 1.00 7.14 H new ATOM 81 N ASP A 629 -16.664 3.875 3.888 1.00 5.68 N ATOM 82 CA ASP A 629 -18.046 4.171 3.518 1.00 5.52 C ATOM 83 C ASP A 629 -18.113 5.005 2.243 1.00 4.87 C ATOM 84 O ASP A 629 -19.117 4.993 1.531 1.00 4.76 O ATOM 85 CB ASP A 629 -18.751 4.895 4.674 1.00 6.23 C ATOM 86 CG ASP A 629 -20.138 5.394 4.314 1.00 6.68 C ATOM 87 OD1 ASP A 629 -20.314 6.620 4.147 1.00 7.07 O ATOM 88 OD2 ASP A 629 -21.057 4.558 4.176 1.00 6.91 O ATOM 0 H ASP A 629 -16.362 4.325 4.752 1.00 5.68 H new ATOM 0 HA ASP A 629 -18.558 3.229 3.322 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -18.826 4.218 5.525 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -18.140 5.740 4.991 1.00 6.23 H new ATOM 93 N ARG A 630 -17.037 5.712 1.941 1.00 4.79 N ATOM 94 CA ARG A 630 -16.999 6.553 0.759 1.00 4.57 C ATOM 95 C ARG A 630 -15.612 6.549 0.131 1.00 4.10 C ATOM 96 O ARG A 630 -14.772 7.398 0.433 1.00 4.34 O ATOM 97 CB ARG A 630 -17.420 7.974 1.119 1.00 5.38 C ATOM 98 CG ARG A 630 -17.641 8.869 -0.084 1.00 5.89 C ATOM 99 CD ARG A 630 -18.332 10.155 0.320 1.00 6.81 C ATOM 100 NE ARG A 630 -19.663 9.904 0.866 1.00 7.37 N ATOM 101 CZ ARG A 630 -20.382 10.809 1.522 1.00 8.27 C ATOM 102 NH1 ARG A 630 -19.899 12.028 1.723 1.00 8.70 N ATOM 103 NH2 ARG A 630 -21.584 10.492 1.977 1.00 8.95 N ATOM 0 H ARG A 630 -16.182 5.720 2.496 1.00 4.79 H new ATOM 0 HA ARG A 630 -17.698 6.151 0.026 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -18.339 7.934 1.704 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -16.656 8.419 1.756 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -16.684 9.097 -0.553 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -18.243 8.345 -0.826 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -17.727 10.676 1.062 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -18.412 10.813 -0.545 1.00 6.81 H new ATOM 0 HE ARG A 630 -20.066 8.976 0.736 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -18.973 12.274 1.374 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -20.454 12.720 2.227 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -21.956 9.555 1.824 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -22.138 11.185 2.481 1.00 8.95 H new ATOM 117 N CYS A 631 -15.373 5.581 -0.736 1.00 3.77 N ATOM 118 CA CYS A 631 -14.116 5.500 -1.457 1.00 3.49 C ATOM 119 C CYS A 631 -14.118 6.448 -2.648 1.00 3.17 C ATOM 120 O CYS A 631 -14.385 6.044 -3.778 1.00 3.32 O ATOM 121 CB CYS A 631 -13.859 4.067 -1.922 1.00 3.72 C ATOM 122 SG CYS A 631 -13.600 2.895 -0.572 1.00 4.38 S ATOM 0 H CYS A 631 -16.036 4.838 -0.958 1.00 3.77 H new ATOM 0 HA CYS A 631 -13.314 5.797 -0.781 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -14.705 3.733 -2.523 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -12.984 4.058 -2.571 1.00 3.72 H new ATOM 0 HG CYS A 631 -13.839 1.689 -0.993 1.00 4.38 H new ATOM 128 N GLN A 632 -13.840 7.717 -2.383 1.00 3.10 N ATOM 129 CA GLN A 632 -13.773 8.715 -3.438 1.00 3.01 C ATOM 130 C GLN A 632 -12.550 9.605 -3.269 1.00 2.97 C ATOM 131 O GLN A 632 -11.536 9.419 -3.942 1.00 2.93 O ATOM 132 CB GLN A 632 -15.039 9.573 -3.453 1.00 3.40 C ATOM 133 CG GLN A 632 -16.306 8.795 -3.769 1.00 3.70 C ATOM 134 CD GLN A 632 -17.546 9.665 -3.780 1.00 4.22 C ATOM 135 OE1 GLN A 632 -17.388 10.932 -4.138 1.00 4.67 O flip ATOM 136 NE2 GLN A 632 -18.641 9.198 -3.467 1.00 4.57 N flip ATOM 0 H GLN A 632 -13.658 8.078 -1.447 1.00 3.10 H new ATOM 0 HA GLN A 632 -13.692 8.187 -4.388 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -15.152 10.053 -2.481 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -14.919 10.368 -4.189 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -16.198 8.314 -4.741 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -16.432 8.001 -3.033 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -18.719 8.217 -3.198 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -19.470 9.792 -3.477 1.00 4.57 H new ATOM 145 N ASP A 633 -12.639 10.545 -2.336 1.00 3.23 N ATOM 146 CA ASP A 633 -11.603 11.557 -2.159 1.00 3.48 C ATOM 147 C ASP A 633 -10.300 10.951 -1.662 1.00 3.00 C ATOM 148 O ASP A 633 -9.224 11.430 -2.009 1.00 3.13 O ATOM 149 CB ASP A 633 -12.059 12.645 -1.185 1.00 4.11 C ATOM 150 CG ASP A 633 -13.175 13.505 -1.738 1.00 4.69 C ATOM 151 OD1 ASP A 633 -14.356 13.134 -1.581 1.00 5.22 O ATOM 152 OD2 ASP A 633 -12.877 14.558 -2.343 1.00 4.94 O ATOM 0 H ASP A 633 -13.422 10.628 -1.687 1.00 3.23 H new ATOM 0 HA ASP A 633 -11.427 12.000 -3.139 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -12.393 12.178 -0.258 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -11.209 13.280 -0.934 1.00 4.11 H new ATOM 157 N TRP A 634 -10.387 9.888 -0.868 1.00 2.60 N ATOM 158 CA TRP A 634 -9.194 9.331 -0.245 1.00 2.30 C ATOM 159 C TRP A 634 -8.304 8.643 -1.278 1.00 1.84 C ATOM 160 O TRP A 634 -7.112 8.468 -1.051 1.00 1.69 O ATOM 161 CB TRP A 634 -9.533 8.386 0.927 1.00 2.47 C ATOM 162 CG TRP A 634 -9.989 7.005 0.548 1.00 2.40 C ATOM 163 CD1 TRP A 634 -11.273 6.579 0.375 1.00 2.72 C ATOM 164 CD2 TRP A 634 -9.154 5.858 0.339 1.00 2.37 C ATOM 165 NE1 TRP A 634 -11.285 5.240 0.059 1.00 2.82 N ATOM 166 CE2 TRP A 634 -9.998 4.777 0.028 1.00 2.72 C ATOM 167 CE3 TRP A 634 -7.773 5.643 0.376 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -9.507 3.502 -0.243 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -7.287 4.378 0.109 1.00 2.88 C ATOM 170 CH2 TRP A 634 -8.152 3.322 -0.197 1.00 3.28 C ATOM 0 H TRP A 634 -11.256 9.403 -0.644 1.00 2.60 H new ATOM 0 HA TRP A 634 -8.635 10.166 0.178 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -8.651 8.295 1.561 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -10.312 8.852 1.530 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -12.151 7.201 0.472 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -12.119 4.682 -0.123 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -7.097 6.453 0.609 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -10.172 2.685 -0.481 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -6.222 4.201 0.137 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -7.741 2.344 -0.401 1.00 3.28 H new ATOM 181 N LEU A 635 -8.878 8.281 -2.421 1.00 1.89 N ATOM 182 CA LEU A 635 -8.092 7.709 -3.511 1.00 2.05 C ATOM 183 C LEU A 635 -7.204 8.784 -4.115 1.00 2.36 C ATOM 184 O LEU A 635 -6.020 8.565 -4.377 1.00 2.50 O ATOM 185 CB LEU A 635 -8.984 7.111 -4.606 1.00 2.45 C ATOM 186 CG LEU A 635 -9.699 5.799 -4.256 1.00 2.54 C ATOM 187 CD1 LEU A 635 -8.718 4.776 -3.708 1.00 2.83 C ATOM 188 CD2 LEU A 635 -10.827 6.041 -3.271 1.00 3.12 C ATOM 0 H LEU A 635 -9.875 8.372 -2.617 1.00 1.89 H new ATOM 0 HA LEU A 635 -7.485 6.904 -3.097 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -9.738 7.851 -4.876 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -8.372 6.942 -5.492 1.00 2.45 H new ATOM 0 HG LEU A 635 -10.131 5.399 -5.173 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -9.249 3.855 -3.468 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -7.953 4.569 -4.456 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -8.248 5.169 -2.807 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -11.317 5.095 -3.040 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -10.424 6.474 -2.356 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -11.551 6.728 -3.709 1.00 3.12 H new ATOM 200 N GLU A 636 -7.792 9.950 -4.324 1.00 2.71 N ATOM 201 CA GLU A 636 -7.065 11.100 -4.828 1.00 3.25 C ATOM 202 C GLU A 636 -6.078 11.587 -3.779 1.00 3.07 C ATOM 203 O GLU A 636 -4.933 11.918 -4.085 1.00 3.33 O ATOM 204 CB GLU A 636 -8.045 12.214 -5.183 1.00 3.85 C ATOM 205 CG GLU A 636 -9.073 11.803 -6.220 1.00 4.37 C ATOM 206 CD GLU A 636 -10.042 12.915 -6.542 1.00 4.88 C ATOM 207 OE1 GLU A 636 -11.168 12.901 -6.001 1.00 5.12 O ATOM 208 OE2 GLU A 636 -9.685 13.815 -7.324 1.00 5.37 O ATOM 0 H GLU A 636 -8.782 10.124 -4.150 1.00 2.71 H new ATOM 0 HA GLU A 636 -6.515 10.813 -5.724 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -8.561 12.536 -4.278 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -7.488 13.073 -5.555 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -8.562 11.495 -7.132 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -9.626 10.937 -5.856 1.00 4.37 H new ATOM 215 N ALA A 637 -6.536 11.605 -2.535 1.00 2.79 N ATOM 216 CA ALA A 637 -5.704 11.997 -1.411 1.00 2.78 C ATOM 217 C ALA A 637 -4.517 11.057 -1.261 1.00 2.28 C ATOM 218 O ALA A 637 -3.429 11.479 -0.887 1.00 2.44 O ATOM 219 CB ALA A 637 -6.519 12.022 -0.130 1.00 2.89 C ATOM 0 H ALA A 637 -7.490 11.349 -2.279 1.00 2.79 H new ATOM 0 HA ALA A 637 -5.325 13.000 -1.605 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -5.880 12.318 0.702 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -7.336 12.737 -0.232 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -6.927 11.030 0.061 1.00 2.89 H new ATOM 225 N LEU A 638 -4.736 9.781 -1.564 1.00 1.83 N ATOM 226 CA LEU A 638 -3.681 8.777 -1.491 1.00 1.65 C ATOM 227 C LEU A 638 -2.557 9.092 -2.478 1.00 2.09 C ATOM 228 O LEU A 638 -1.401 8.753 -2.243 1.00 2.25 O ATOM 229 CB LEU A 638 -4.249 7.381 -1.767 1.00 1.61 C ATOM 230 CG LEU A 638 -3.297 6.215 -1.481 1.00 1.61 C ATOM 231 CD1 LEU A 638 -2.971 6.131 0.005 1.00 2.00 C ATOM 232 CD2 LEU A 638 -3.897 4.906 -1.971 1.00 1.99 C ATOM 0 H LEU A 638 -5.640 9.417 -1.864 1.00 1.83 H new ATOM 0 HA LEU A 638 -3.268 8.796 -0.483 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -5.149 7.248 -1.167 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -4.553 7.331 -2.813 1.00 1.61 H new ATOM 0 HG LEU A 638 -2.368 6.394 -2.022 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -2.294 5.296 0.182 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -2.496 7.058 0.326 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -3.890 5.979 0.571 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -3.208 4.088 -1.760 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -4.842 4.725 -1.459 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -4.071 4.965 -3.045 1.00 1.99 H new ATOM 244 N HIS A 639 -2.897 9.756 -3.576 1.00 2.51 N ATOM 245 CA HIS A 639 -1.898 10.151 -4.566 1.00 3.15 C ATOM 246 C HIS A 639 -1.067 11.319 -4.031 1.00 3.32 C ATOM 247 O HIS A 639 0.090 11.502 -4.405 1.00 3.71 O ATOM 248 CB HIS A 639 -2.573 10.541 -5.886 1.00 3.69 C ATOM 249 CG HIS A 639 -1.616 10.748 -7.025 1.00 4.41 C ATOM 250 ND1 HIS A 639 -0.927 11.924 -7.227 1.00 4.97 N ATOM 251 CD2 HIS A 639 -1.233 9.918 -8.024 1.00 4.95 C ATOM 252 CE1 HIS A 639 -0.165 11.808 -8.299 1.00 5.62 C ATOM 253 NE2 HIS A 639 -0.330 10.601 -8.800 1.00 5.61 N ATOM 0 H HIS A 639 -3.852 10.032 -3.804 1.00 2.51 H new ATOM 0 HA HIS A 639 -1.239 9.303 -4.755 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -3.286 9.764 -6.161 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -3.143 11.457 -5.733 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -1.575 8.906 -8.181 1.00 4.95 H new ATOM 0 HE1 HIS A 639 0.484 12.574 -8.698 1.00 5.62 H new ATOM 0 HE2 HIS A 639 0.137 10.234 -9.629 1.00 5.61 H new ATOM 262 N TRP A 640 -1.675 12.099 -3.148 1.00 3.17 N ATOM 263 CA TRP A 640 -1.013 13.241 -2.528 1.00 3.45 C ATOM 264 C TRP A 640 -0.450 12.830 -1.164 1.00 2.97 C ATOM 265 O TRP A 640 0.148 13.630 -0.440 1.00 3.21 O ATOM 266 CB TRP A 640 -2.027 14.389 -2.379 1.00 3.97 C ATOM 267 CG TRP A 640 -1.427 15.712 -2.002 1.00 4.43 C ATOM 268 CD1 TRP A 640 -1.244 16.194 -0.738 1.00 4.57 C ATOM 269 CD2 TRP A 640 -0.957 16.734 -2.894 1.00 5.16 C ATOM 270 NE1 TRP A 640 -0.667 17.437 -0.785 1.00 5.35 N ATOM 271 CE2 TRP A 640 -0.485 17.794 -2.095 1.00 5.75 C ATOM 272 CE3 TRP A 640 -0.880 16.857 -4.286 1.00 5.54 C ATOM 273 CZ2 TRP A 640 0.053 18.954 -2.640 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -0.346 18.013 -4.826 1.00 6.48 C ATOM 275 CH2 TRP A 640 0.116 19.047 -4.003 1.00 7.07 C ATOM 0 H TRP A 640 -2.638 11.960 -2.841 1.00 3.17 H new ATOM 0 HA TRP A 640 -0.186 13.580 -3.152 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -2.565 14.505 -3.320 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -2.762 14.110 -1.624 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -1.515 15.672 0.168 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -0.414 18.004 0.024 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -1.232 16.063 -4.928 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 0.409 19.755 -2.009 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -0.285 18.120 -5.899 1.00 6.48 H new ATOM 0 HH2 TRP A 640 0.531 19.936 -4.454 1.00 7.07 H new ATOM 286 N TYR A 641 -0.623 11.555 -0.838 1.00 2.48 N ATOM 287 CA TYR A 641 -0.252 11.017 0.464 1.00 2.29 C ATOM 288 C TYR A 641 1.251 10.743 0.512 1.00 2.37 C ATOM 289 O TYR A 641 1.694 9.614 0.719 1.00 2.80 O ATOM 290 CB TYR A 641 -1.062 9.741 0.724 1.00 2.57 C ATOM 291 CG TYR A 641 -1.068 9.255 2.156 1.00 2.91 C ATOM 292 CD1 TYR A 641 -1.576 10.043 3.180 1.00 3.42 C ATOM 293 CD2 TYR A 641 -0.593 7.992 2.472 1.00 3.41 C ATOM 294 CE1 TYR A 641 -1.607 9.584 4.484 1.00 4.14 C ATOM 295 CE2 TYR A 641 -0.617 7.527 3.772 1.00 4.25 C ATOM 296 CZ TYR A 641 -1.125 8.324 4.774 1.00 4.51 C ATOM 297 OH TYR A 641 -1.155 7.859 6.070 1.00 5.50 O ATOM 0 H TYR A 641 -1.026 10.864 -1.471 1.00 2.48 H new ATOM 0 HA TYR A 641 -0.478 11.742 1.246 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -2.092 9.916 0.413 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -0.669 8.946 0.090 1.00 2.57 H new ATOM 0 HD1 TYR A 641 -1.953 11.030 2.955 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -0.198 7.362 1.689 1.00 3.41 H new ATOM 0 HE1 TYR A 641 -2.006 10.208 5.270 1.00 4.14 H new ATOM 0 HE2 TYR A 641 -0.239 6.542 4.002 1.00 4.25 H new ATOM 0 HH TYR A 641 -0.779 6.954 6.102 1.00 5.50 H new ATOM 307 N ASN A 642 2.025 11.802 0.319 1.00 2.55 N ATOM 308 CA ASN A 642 3.481 11.723 0.301 1.00 2.95 C ATOM 309 C ASN A 642 4.030 11.689 1.720 1.00 2.85 C ATOM 310 O ASN A 642 4.940 12.441 2.075 1.00 3.27 O ATOM 311 CB ASN A 642 4.062 12.918 -0.458 1.00 3.71 C ATOM 312 CG ASN A 642 3.607 12.968 -1.904 1.00 4.38 C ATOM 313 OD1 ASN A 642 3.331 14.042 -2.439 1.00 4.86 O ATOM 314 ND2 ASN A 642 3.560 11.818 -2.559 1.00 4.90 N ATOM 0 H ASN A 642 1.661 12.743 0.170 1.00 2.55 H new ATOM 0 HA ASN A 642 3.773 10.804 -0.207 1.00 2.95 H new ATOM 0 HB2 ASN A 642 3.768 13.840 0.044 1.00 3.71 H new ATOM 0 HB3 ASN A 642 5.150 12.870 -0.425 1.00 3.71 H new ATOM 0 HD21 ASN A 642 3.288 11.802 -3.542 1.00 4.90 H new ATOM 0 HD22 ASN A 642 3.796 10.949 -2.081 1.00 4.90 H new ATOM 321 N THR A 643 3.458 10.817 2.526 1.00 2.87 N ATOM 322 CA THR A 643 3.845 10.677 3.911 1.00 3.35 C ATOM 323 C THR A 643 4.986 9.680 4.038 1.00 3.70 C ATOM 324 O THR A 643 4.773 8.471 3.978 1.00 4.43 O ATOM 325 CB THR A 643 2.648 10.211 4.754 1.00 4.03 C ATOM 326 OG1 THR A 643 2.057 9.056 4.148 1.00 4.46 O ATOM 327 CG2 THR A 643 1.605 11.310 4.870 1.00 4.33 C ATOM 0 H THR A 643 2.711 10.186 2.236 1.00 2.87 H new ATOM 0 HA THR A 643 4.179 11.647 4.278 1.00 3.35 H new ATOM 0 HB THR A 643 3.005 9.965 5.754 1.00 4.03 H new ATOM 0 HG1 THR A 643 1.113 8.998 4.406 1.00 4.46 H new ATOM 0 HG21 THR A 643 0.768 10.955 5.471 1.00 4.33 H new ATOM 0 HG22 THR A 643 2.049 12.184 5.346 1.00 4.33 H new ATOM 0 HG23 THR A 643 1.249 11.580 3.876 1.00 4.33 H new ATOM 335 N ALA A 644 6.197 10.188 4.183 1.00 3.58 N ATOM 336 CA ALA A 644 7.364 9.331 4.269 1.00 4.14 C ATOM 337 C ALA A 644 7.664 8.966 5.715 1.00 5.22 C ATOM 338 O ALA A 644 7.641 7.794 6.082 1.00 5.98 O ATOM 339 CB ALA A 644 8.562 10.003 3.618 1.00 3.76 C ATOM 0 H ALA A 644 6.397 11.186 4.243 1.00 3.58 H new ATOM 0 HA ALA A 644 7.153 8.407 3.730 1.00 4.14 H new ATOM 0 HB1 ALA A 644 9.430 9.348 3.690 1.00 3.76 H new ATOM 0 HB2 ALA A 644 8.343 10.200 2.569 1.00 3.76 H new ATOM 0 HB3 ALA A 644 8.773 10.943 4.128 1.00 3.76 H new ATOM 345 N LEU A 645 7.925 9.968 6.541 1.00 5.58 N ATOM 346 CA LEU A 645 8.252 9.735 7.939 1.00 6.84 C ATOM 347 C LEU A 645 7.241 10.420 8.847 1.00 7.35 C ATOM 348 O LEU A 645 7.591 10.975 9.890 1.00 8.01 O ATOM 349 CB LEU A 645 9.668 10.226 8.244 1.00 7.29 C ATOM 350 CG LEU A 645 10.779 9.528 7.453 1.00 7.38 C ATOM 351 CD1 LEU A 645 12.123 10.172 7.741 1.00 7.91 C ATOM 352 CD2 LEU A 645 10.823 8.041 7.781 1.00 7.94 C ATOM 0 H LEU A 645 7.917 10.950 6.267 1.00 5.58 H new ATOM 0 HA LEU A 645 8.210 8.663 8.129 1.00 6.84 H new ATOM 0 HB2 LEU A 645 9.717 11.296 8.043 1.00 7.29 H new ATOM 0 HB3 LEU A 645 9.861 10.093 9.308 1.00 7.29 H new ATOM 0 HG LEU A 645 10.561 9.639 6.391 1.00 7.38 H new ATOM 0 HD11 LEU A 645 12.900 9.663 7.171 1.00 7.91 H new ATOM 0 HD12 LEU A 645 12.092 11.223 7.454 1.00 7.91 H new ATOM 0 HD13 LEU A 645 12.344 10.093 8.805 1.00 7.91 H new ATOM 0 HD21 LEU A 645 11.619 7.565 7.208 1.00 7.94 H new ATOM 0 HD22 LEU A 645 11.014 7.909 8.846 1.00 7.94 H new ATOM 0 HD23 LEU A 645 9.868 7.583 7.524 1.00 7.94 H new ATOM 364 N GLU A 646 5.983 10.379 8.440 1.00 7.22 N ATOM 365 CA GLU A 646 4.912 10.987 9.210 1.00 7.76 C ATOM 366 C GLU A 646 4.390 10.009 10.254 1.00 8.33 C ATOM 367 O GLU A 646 4.268 8.810 9.992 1.00 8.43 O ATOM 368 CB GLU A 646 3.773 11.425 8.288 1.00 7.59 C ATOM 369 CG GLU A 646 2.630 12.110 9.023 1.00 7.98 C ATOM 370 CD GLU A 646 1.527 12.570 8.096 1.00 8.43 C ATOM 371 OE1 GLU A 646 1.668 13.651 7.490 1.00 8.62 O ATOM 372 OE2 GLU A 646 0.507 11.860 7.979 1.00 8.80 O ATOM 0 H GLU A 646 5.678 9.929 7.577 1.00 7.22 H new ATOM 0 HA GLU A 646 5.309 11.866 9.718 1.00 7.76 H new ATOM 0 HB2 GLU A 646 4.168 12.104 7.532 1.00 7.59 H new ATOM 0 HB3 GLU A 646 3.386 10.553 7.762 1.00 7.59 H new ATOM 0 HG2 GLU A 646 2.215 11.423 9.760 1.00 7.98 H new ATOM 0 HG3 GLU A 646 3.019 12.968 9.571 1.00 7.98 H new ATOM 379 N MET A 647 4.102 10.526 11.439 1.00 8.91 N ATOM 380 CA MET A 647 3.558 9.721 12.517 1.00 9.60 C ATOM 381 C MET A 647 2.160 9.235 12.164 1.00 9.81 C ATOM 382 O MET A 647 1.229 10.032 12.037 1.00 10.24 O ATOM 383 CB MET A 647 3.528 10.527 13.819 1.00 10.34 C ATOM 384 CG MET A 647 2.858 9.803 14.978 1.00 10.82 C ATOM 385 SD MET A 647 3.535 8.155 15.262 1.00 11.51 S ATOM 386 CE MET A 647 5.268 8.535 15.510 1.00 12.08 C ATOM 0 H MET A 647 4.238 11.508 11.677 1.00 8.91 H new ATOM 0 HA MET A 647 4.201 8.852 12.659 1.00 9.60 H new ATOM 0 HB2 MET A 647 4.550 10.778 14.103 1.00 10.34 H new ATOM 0 HB3 MET A 647 3.006 11.467 13.641 1.00 10.34 H new ATOM 0 HG2 MET A 647 2.970 10.398 15.885 1.00 10.82 H new ATOM 0 HG3 MET A 647 1.789 9.722 14.780 1.00 10.82 H new ATOM 0 HE1 MET A 647 5.777 7.663 15.921 1.00 12.08 H new ATOM 0 HE2 MET A 647 5.722 8.804 14.556 1.00 12.08 H new ATOM 0 HE3 MET A 647 5.362 9.370 16.204 1.00 12.08 H new ATOM 396 N THR A 648 2.028 7.927 11.992 1.00 9.65 N ATOM 397 CA THR A 648 0.749 7.323 11.666 1.00 9.89 C ATOM 398 C THR A 648 -0.225 7.467 12.832 1.00 10.52 C ATOM 399 O THR A 648 -0.210 6.671 13.773 1.00 10.68 O ATOM 400 CB THR A 648 0.923 5.831 11.326 1.00 9.58 C ATOM 401 OG1 THR A 648 2.054 5.663 10.461 1.00 9.43 O ATOM 402 CG2 THR A 648 -0.317 5.277 10.642 1.00 9.40 C ATOM 0 H THR A 648 2.798 7.263 12.074 1.00 9.65 H new ATOM 0 HA THR A 648 0.346 7.842 10.796 1.00 9.89 H new ATOM 0 HB THR A 648 1.079 5.286 12.257 1.00 9.58 H new ATOM 0 HG1 THR A 648 1.750 5.616 9.530 1.00 9.43 H new ATOM 0 HG21 THR A 648 -0.166 4.222 10.414 1.00 9.40 H new ATOM 0 HG22 THR A 648 -1.177 5.386 11.303 1.00 9.40 H new ATOM 0 HG23 THR A 648 -0.499 5.826 9.718 1.00 9.40 H new ATOM 410 N ASP A 649 -1.056 8.495 12.771 1.00 11.04 N ATOM 411 CA ASP A 649 -2.024 8.755 13.825 1.00 11.77 C ATOM 412 C ASP A 649 -3.430 8.442 13.330 1.00 11.96 C ATOM 413 O ASP A 649 -4.328 9.284 13.358 1.00 12.46 O ATOM 414 CB ASP A 649 -1.931 10.206 14.308 1.00 12.46 C ATOM 415 CG ASP A 649 -2.759 10.453 15.555 1.00 13.07 C ATOM 416 OD1 ASP A 649 -2.456 9.857 16.609 1.00 13.39 O ATOM 417 OD2 ASP A 649 -3.714 11.257 15.489 1.00 13.37 O ATOM 0 H ASP A 649 -1.080 9.164 12.002 1.00 11.04 H new ATOM 0 HA ASP A 649 -1.797 8.107 14.671 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -0.889 10.452 14.512 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -2.267 10.873 13.514 1.00 12.46 H new ATOM 422 N CYS A 650 -3.603 7.229 12.845 1.00 11.69 N ATOM 423 CA CYS A 650 -4.904 6.750 12.424 1.00 11.94 C ATOM 424 C CYS A 650 -5.123 5.348 12.973 1.00 12.07 C ATOM 425 O CYS A 650 -4.894 4.349 12.284 1.00 12.15 O ATOM 426 CB CYS A 650 -5.019 6.778 10.895 1.00 11.96 C ATOM 427 SG CYS A 650 -3.594 6.077 10.029 1.00 12.13 S ATOM 0 H CYS A 650 -2.850 6.551 12.732 1.00 11.69 H new ATOM 0 HA CYS A 650 -5.681 7.405 12.819 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -5.914 6.231 10.599 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -5.155 7.810 10.571 1.00 11.96 H new ATOM 0 HG CYS A 650 -3.789 6.145 8.746 1.00 12.13 H new ATOM 433 N ASP A 651 -5.534 5.290 14.236 1.00 12.25 N ATOM 434 CA ASP A 651 -5.725 4.025 14.942 1.00 12.49 C ATOM 435 C ASP A 651 -6.660 3.100 14.176 1.00 12.81 C ATOM 436 O ASP A 651 -7.723 3.518 13.707 1.00 12.82 O ATOM 437 CB ASP A 651 -6.274 4.278 16.348 1.00 12.51 C ATOM 438 CG ASP A 651 -6.579 2.995 17.097 1.00 12.95 C ATOM 439 OD1 ASP A 651 -7.766 2.606 17.171 1.00 13.19 O ATOM 440 OD2 ASP A 651 -5.634 2.361 17.607 1.00 13.19 O ATOM 0 H ASP A 651 -5.744 6.115 14.798 1.00 12.25 H new ATOM 0 HA ASP A 651 -4.754 3.537 15.020 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -5.550 4.862 16.916 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -7.182 4.877 16.277 1.00 12.51 H new ATOM 445 N GLU A 652 -6.245 1.850 14.037 1.00 13.23 N ATOM 446 CA GLU A 652 -7.029 0.850 13.331 1.00 13.69 C ATOM 447 C GLU A 652 -8.138 0.314 14.227 1.00 13.73 C ATOM 448 O GLU A 652 -8.092 -0.835 14.670 1.00 14.19 O ATOM 449 CB GLU A 652 -6.126 -0.295 12.881 1.00 14.37 C ATOM 450 CG GLU A 652 -4.977 0.141 11.990 1.00 14.63 C ATOM 451 CD GLU A 652 -4.001 -0.984 11.723 1.00 15.07 C ATOM 452 OE1 GLU A 652 -2.842 -0.892 12.176 1.00 15.16 O ATOM 453 OE2 GLU A 652 -4.384 -1.959 11.045 1.00 15.45 O ATOM 0 H GLU A 652 -5.361 1.502 14.408 1.00 13.23 H new ATOM 0 HA GLU A 652 -7.482 1.316 12.456 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -5.721 -0.793 13.762 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -6.728 -1.031 12.347 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -5.373 0.508 11.043 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -4.451 0.972 12.459 1.00 14.63 H new ATOM 460 N GLY A 653 -9.131 1.152 14.490 1.00 13.37 N ATOM 461 CA GLY A 653 -10.230 0.765 15.352 1.00 13.46 C ATOM 462 C GLY A 653 -11.244 -0.107 14.643 1.00 12.98 C ATOM 463 O GLY A 653 -12.416 0.257 14.532 1.00 13.22 O ATOM 0 H GLY A 653 -9.195 2.100 14.119 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -9.838 0.231 16.217 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -10.725 1.660 15.728 1.00 13.46 H new ATOM 467 N GLY A 654 -10.784 -1.253 14.159 1.00 12.43 N ATOM 468 CA GLY A 654 -11.658 -2.203 13.503 1.00 12.06 C ATOM 469 C GLY A 654 -12.237 -1.683 12.202 1.00 11.36 C ATOM 470 O GLY A 654 -13.430 -1.371 12.125 1.00 11.43 O ATOM 0 H GLY A 654 -9.808 -1.543 14.211 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -11.104 -3.120 13.305 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -12.474 -2.463 14.178 1.00 12.06 H new ATOM 474 N GLU A 655 -11.396 -1.581 11.183 1.00 10.85 N ATOM 475 CA GLU A 655 -11.843 -1.175 9.864 1.00 10.24 C ATOM 476 C GLU A 655 -12.251 -2.400 9.057 1.00 9.73 C ATOM 477 O GLU A 655 -11.423 -3.044 8.411 1.00 9.57 O ATOM 478 CB GLU A 655 -10.754 -0.382 9.135 1.00 10.26 C ATOM 479 CG GLU A 655 -11.181 0.110 7.758 1.00 10.19 C ATOM 480 CD GLU A 655 -10.180 1.059 7.129 1.00 10.69 C ATOM 481 OE1 GLU A 655 -9.519 0.665 6.146 1.00 10.96 O ATOM 482 OE2 GLU A 655 -10.051 2.207 7.614 1.00 10.98 O ATOM 0 H GLU A 655 -10.397 -1.775 11.248 1.00 10.85 H new ATOM 0 HA GLU A 655 -12.709 -0.522 9.975 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -10.468 0.474 9.746 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -9.868 -1.008 9.030 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -11.323 -0.747 7.100 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -12.145 0.611 7.841 1.00 10.19 H new ATOM 489 N TYR A 656 -13.528 -2.733 9.124 1.00 9.64 N ATOM 490 CA TYR A 656 -14.061 -3.871 8.392 1.00 9.25 C ATOM 491 C TYR A 656 -14.812 -3.405 7.154 1.00 8.16 C ATOM 492 O TYR A 656 -15.774 -2.639 7.244 1.00 8.22 O ATOM 493 CB TYR A 656 -14.979 -4.717 9.282 1.00 10.13 C ATOM 494 CG TYR A 656 -15.717 -5.805 8.526 1.00 10.38 C ATOM 495 CD1 TYR A 656 -17.074 -5.686 8.260 1.00 10.66 C ATOM 496 CD2 TYR A 656 -15.054 -6.936 8.063 1.00 10.57 C ATOM 497 CE1 TYR A 656 -17.750 -6.660 7.553 1.00 11.10 C ATOM 498 CE2 TYR A 656 -15.727 -7.918 7.359 1.00 10.97 C ATOM 499 CZ TYR A 656 -17.075 -7.773 7.107 1.00 11.23 C ATOM 500 OH TYR A 656 -17.748 -8.739 6.392 1.00 11.80 O ATOM 0 H TYR A 656 -14.219 -2.229 9.680 1.00 9.64 H new ATOM 0 HA TYR A 656 -13.221 -4.492 8.080 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -14.385 -5.174 10.073 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -15.706 -4.064 9.766 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -17.610 -4.817 8.612 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -13.997 -7.049 8.256 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -18.805 -6.549 7.351 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -15.200 -8.793 7.009 1.00 10.97 H new ATOM 0 HH TYR A 656 -17.128 -9.458 6.150 1.00 11.80 H new ATOM 510 N ASP A 657 -14.359 -3.862 6.001 1.00 7.39 N ATOM 511 CA ASP A 657 -14.980 -3.509 4.734 1.00 6.44 C ATOM 512 C ASP A 657 -15.908 -4.621 4.244 1.00 6.09 C ATOM 513 O ASP A 657 -17.037 -4.357 3.837 1.00 6.31 O ATOM 514 CB ASP A 657 -13.902 -3.230 3.688 1.00 6.14 C ATOM 515 CG ASP A 657 -13.089 -4.464 3.370 1.00 5.90 C ATOM 516 OD1 ASP A 657 -13.277 -5.032 2.278 1.00 5.94 O ATOM 517 OD2 ASP A 657 -12.306 -4.903 4.241 1.00 6.00 O ATOM 0 H ASP A 657 -13.556 -4.484 5.914 1.00 7.39 H new ATOM 0 HA ASP A 657 -15.579 -2.611 4.887 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -14.369 -2.859 2.776 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -13.240 -2.443 4.050 1.00 6.14 H new ATOM 522 N GLY A 658 -15.429 -5.861 4.286 1.00 5.88 N ATOM 523 CA GLY A 658 -16.212 -6.981 3.802 1.00 5.75 C ATOM 524 C GLY A 658 -15.362 -8.024 3.101 1.00 4.80 C ATOM 525 O GLY A 658 -15.646 -9.220 3.181 1.00 5.02 O ATOM 0 H GLY A 658 -14.508 -6.109 4.648 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -16.733 -7.445 4.640 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -16.975 -6.617 3.114 1.00 5.75 H new ATOM 529 N MET A 659 -14.318 -7.565 2.419 1.00 3.98 N ATOM 530 CA MET A 659 -13.413 -8.441 1.680 1.00 3.13 C ATOM 531 C MET A 659 -12.678 -9.397 2.616 1.00 2.86 C ATOM 532 O MET A 659 -11.788 -8.991 3.368 1.00 2.97 O ATOM 533 CB MET A 659 -12.411 -7.593 0.890 1.00 2.88 C ATOM 534 CG MET A 659 -11.210 -8.356 0.351 1.00 2.45 C ATOM 535 SD MET A 659 -11.625 -9.540 -0.943 1.00 2.41 S ATOM 536 CE MET A 659 -9.981 -10.042 -1.452 1.00 2.25 C ATOM 0 H MET A 659 -14.075 -6.576 2.362 1.00 3.98 H new ATOM 0 HA MET A 659 -14.003 -9.044 0.990 1.00 3.13 H new ATOM 0 HB2 MET A 659 -12.932 -7.127 0.054 1.00 2.88 H new ATOM 0 HB3 MET A 659 -12.053 -6.788 1.532 1.00 2.88 H new ATOM 0 HG2 MET A 659 -10.484 -7.643 -0.040 1.00 2.45 H new ATOM 0 HG3 MET A 659 -10.727 -8.884 1.173 1.00 2.45 H new ATOM 0 HE1 MET A 659 -10.045 -10.607 -2.382 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.362 -9.158 -1.606 1.00 2.25 H new ATOM 0 HE3 MET A 659 -9.535 -10.667 -0.678 1.00 2.25 H new ATOM 546 N GLN A 660 -13.067 -10.662 2.573 1.00 3.00 N ATOM 547 CA GLN A 660 -12.420 -11.694 3.367 1.00 3.07 C ATOM 548 C GLN A 660 -11.918 -12.812 2.453 1.00 2.63 C ATOM 549 O GLN A 660 -11.659 -13.934 2.889 1.00 3.22 O ATOM 550 CB GLN A 660 -13.397 -12.248 4.410 1.00 3.99 C ATOM 551 CG GLN A 660 -12.739 -13.115 5.474 1.00 4.68 C ATOM 552 CD GLN A 660 -13.738 -13.826 6.369 1.00 5.55 C ATOM 553 OE1 GLN A 660 -14.884 -13.206 6.604 1.00 6.02 O flip ATOM 554 NE2 GLN A 660 -13.475 -14.928 6.854 1.00 6.10 N flip ATOM 0 H GLN A 660 -13.834 -11.000 1.992 1.00 3.00 H new ATOM 0 HA GLN A 660 -11.568 -11.261 3.891 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -13.904 -11.415 4.897 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -14.163 -12.833 3.901 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -12.105 -13.856 4.988 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -12.089 -12.493 6.089 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -12.581 -15.375 6.650 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -14.151 -15.393 7.459 1.00 6.10 H new ATOM 563 N ASP A 661 -11.771 -12.491 1.176 1.00 2.13 N ATOM 564 CA ASP A 661 -11.318 -13.466 0.193 1.00 2.09 C ATOM 565 C ASP A 661 -9.791 -13.440 0.122 1.00 1.75 C ATOM 566 O ASP A 661 -9.161 -12.729 0.907 1.00 1.98 O ATOM 567 CB ASP A 661 -11.944 -13.170 -1.179 1.00 2.69 C ATOM 568 CG ASP A 661 -11.973 -14.378 -2.096 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.967 -14.638 -2.783 1.00 3.86 O ATOM 570 OD2 ASP A 661 -13.019 -15.061 -2.150 1.00 3.59 O ATOM 0 H ASP A 661 -11.959 -11.563 0.796 1.00 2.13 H new ATOM 0 HA ASP A 661 -11.637 -14.464 0.493 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -12.961 -12.806 -1.036 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -11.384 -12.369 -1.662 1.00 2.69 H new ATOM 575 N GLU A 662 -9.207 -14.188 -0.811 1.00 1.44 N ATOM 576 CA GLU A 662 -7.751 -14.300 -0.928 1.00 1.24 C ATOM 577 C GLU A 662 -7.092 -12.937 -1.144 1.00 1.00 C ATOM 578 O GLU A 662 -7.216 -12.340 -2.216 1.00 1.01 O ATOM 579 CB GLU A 662 -7.380 -15.235 -2.082 1.00 1.40 C ATOM 580 CG GLU A 662 -7.683 -16.696 -1.806 1.00 1.93 C ATOM 581 CD GLU A 662 -6.883 -17.238 -0.640 1.00 2.45 C ATOM 582 OE1 GLU A 662 -5.659 -17.437 -0.791 1.00 2.64 O ATOM 583 OE2 GLU A 662 -7.471 -17.477 0.437 1.00 3.19 O ATOM 0 H GLU A 662 -9.723 -14.731 -1.504 1.00 1.44 H new ATOM 0 HA GLU A 662 -7.382 -14.711 0.011 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -7.919 -14.924 -2.977 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -6.317 -15.128 -2.297 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -8.747 -16.811 -1.599 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -7.466 -17.285 -2.697 1.00 1.93 H new ATOM 590 N PRO A 663 -6.396 -12.415 -0.121 1.00 0.86 N ATOM 591 CA PRO A 663 -5.727 -11.125 -0.215 1.00 0.68 C ATOM 592 C PRO A 663 -4.377 -11.213 -0.929 1.00 0.57 C ATOM 593 O PRO A 663 -3.472 -11.926 -0.490 1.00 0.62 O ATOM 594 CB PRO A 663 -5.539 -10.730 1.250 1.00 0.69 C ATOM 595 CG PRO A 663 -5.421 -12.025 1.988 1.00 0.86 C ATOM 596 CD PRO A 663 -6.190 -13.055 1.194 1.00 0.97 C ATOM 0 HA PRO A 663 -6.301 -10.405 -0.799 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.647 -10.118 1.382 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.384 -10.145 1.613 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -4.376 -12.317 2.090 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -5.826 -11.933 2.996 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.631 -13.986 1.101 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -7.139 -13.300 1.671 1.00 0.97 H new ATOM 604 N ARG A 664 -4.237 -10.475 -2.020 1.00 0.52 N ATOM 605 CA ARG A 664 -2.962 -10.386 -2.723 1.00 0.49 C ATOM 606 C ARG A 664 -2.039 -9.402 -2.021 1.00 0.35 C ATOM 607 O ARG A 664 -0.838 -9.637 -1.884 1.00 0.34 O ATOM 608 CB ARG A 664 -3.173 -9.932 -4.167 1.00 0.65 C ATOM 609 CG ARG A 664 -4.043 -10.861 -4.991 1.00 1.17 C ATOM 610 CD ARG A 664 -4.269 -10.299 -6.382 1.00 1.16 C ATOM 611 NE ARG A 664 -5.033 -11.206 -7.231 1.00 1.69 N ATOM 612 CZ ARG A 664 -5.647 -10.825 -8.348 1.00 2.17 C ATOM 613 NH1 ARG A 664 -5.599 -9.556 -8.730 1.00 2.20 N ATOM 614 NH2 ARG A 664 -6.314 -11.708 -9.077 1.00 3.16 N ATOM 0 H ARG A 664 -4.989 -9.928 -2.439 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.507 -11.377 -2.722 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -3.624 -8.940 -4.162 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -2.201 -9.838 -4.652 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -3.570 -11.840 -5.063 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -5.002 -11.005 -4.493 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -4.795 -9.348 -6.305 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.306 -10.094 -6.849 1.00 1.16 H new ATOM 0 HE ARG A 664 -5.100 -12.185 -6.953 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -5.092 -8.873 -8.168 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -6.069 -9.263 -9.586 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -6.358 -12.684 -8.782 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -6.784 -11.412 -9.933 1.00 3.16 H new ATOM 628 N TYR A 665 -2.633 -8.312 -1.552 1.00 0.30 N ATOM 629 CA TYR A 665 -1.890 -7.183 -1.005 1.00 0.25 C ATOM 630 C TYR A 665 -1.025 -7.585 0.188 1.00 0.22 C ATOM 631 O TYR A 665 0.012 -6.981 0.432 1.00 0.22 O ATOM 632 CB TYR A 665 -2.858 -6.053 -0.627 1.00 0.27 C ATOM 633 CG TYR A 665 -3.962 -6.463 0.323 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.096 -7.117 -0.139 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.873 -6.191 1.679 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.104 -7.493 0.724 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.877 -6.564 2.549 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.987 -7.215 2.067 1.00 0.64 C ATOM 639 OH TYR A 665 -6.982 -7.591 2.935 1.00 0.81 O ATOM 0 H TYR A 665 -3.645 -8.185 -1.540 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.210 -6.826 -1.778 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.289 -5.241 -0.174 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.308 -5.658 -1.538 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.191 -7.335 -1.193 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.003 -5.678 2.061 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.979 -8.002 0.349 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.791 -6.345 3.603 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.741 -7.320 3.846 1.00 0.81 H new ATOM 649 N MET A 666 -1.431 -8.624 0.904 1.00 0.25 N ATOM 650 CA MET A 666 -0.676 -9.083 2.065 1.00 0.28 C ATOM 651 C MET A 666 0.609 -9.764 1.626 1.00 0.25 C ATOM 652 O MET A 666 1.674 -9.521 2.190 1.00 0.25 O ATOM 653 CB MET A 666 -1.512 -10.040 2.917 1.00 0.37 C ATOM 654 CG MET A 666 -2.686 -9.372 3.616 1.00 0.48 C ATOM 655 SD MET A 666 -3.692 -10.540 4.546 1.00 1.17 S ATOM 656 CE MET A 666 -5.027 -9.475 5.085 1.00 1.14 C ATOM 0 H MET A 666 -2.273 -9.163 0.705 1.00 0.25 H new ATOM 0 HA MET A 666 -0.426 -8.212 2.671 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.888 -10.843 2.283 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.869 -10.501 3.667 1.00 0.37 H new ATOM 0 HG2 MET A 666 -2.312 -8.602 4.291 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.309 -8.871 2.875 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.486 -9.892 5.982 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.634 -8.483 5.306 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.775 -9.401 4.296 1.00 1.14 H new ATOM 666 N MET A 667 0.511 -10.590 0.592 1.00 0.26 N ATOM 667 CA MET A 667 1.669 -11.302 0.081 1.00 0.27 C ATOM 668 C MET A 667 2.600 -10.305 -0.598 1.00 0.23 C ATOM 669 O MET A 667 3.816 -10.319 -0.381 1.00 0.23 O ATOM 670 CB MET A 667 1.224 -12.400 -0.899 1.00 0.34 C ATOM 671 CG MET A 667 2.280 -13.466 -1.195 1.00 0.47 C ATOM 672 SD MET A 667 3.652 -12.872 -2.207 1.00 1.20 S ATOM 673 CE MET A 667 2.824 -12.593 -3.771 1.00 1.10 C ATOM 0 H MET A 667 -0.358 -10.781 0.093 1.00 0.26 H new ATOM 0 HA MET A 667 2.202 -11.784 0.900 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.338 -12.890 -0.495 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.929 -11.931 -1.838 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.674 -13.845 -0.252 1.00 0.47 H new ATOM 0 HG3 MET A 667 1.804 -14.305 -1.702 1.00 0.47 H new ATOM 0 HE1 MET A 667 3.201 -11.676 -4.224 1.00 1.10 H new ATOM 0 HE2 MET A 667 3.016 -13.433 -4.439 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.751 -12.501 -3.603 1.00 1.10 H new ATOM 683 N LEU A 668 2.006 -9.407 -1.382 1.00 0.21 N ATOM 684 CA LEU A 668 2.759 -8.358 -2.066 1.00 0.19 C ATOM 685 C LEU A 668 3.483 -7.466 -1.063 1.00 0.17 C ATOM 686 O LEU A 668 4.649 -7.121 -1.258 1.00 0.17 O ATOM 687 CB LEU A 668 1.840 -7.497 -2.949 1.00 0.21 C ATOM 688 CG LEU A 668 1.603 -8.005 -4.379 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.970 -9.387 -4.385 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.732 -7.027 -5.150 1.00 0.80 C ATOM 0 H LEU A 668 1.002 -9.385 -1.560 1.00 0.21 H new ATOM 0 HA LEU A 668 3.495 -8.850 -2.702 1.00 0.19 H new ATOM 0 HB2 LEU A 668 0.874 -7.407 -2.453 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.263 -6.494 -3.007 1.00 0.21 H new ATOM 0 HG LEU A 668 2.575 -8.081 -4.867 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.818 -9.713 -5.414 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.628 -10.091 -3.875 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.010 -9.350 -3.870 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.573 -7.401 -6.162 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.229 -6.921 -4.647 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.227 -6.057 -5.195 1.00 0.80 H new ATOM 702 N ALA A 669 2.809 -7.124 0.030 1.00 0.18 N ATOM 703 CA ALA A 669 3.390 -6.234 1.023 1.00 0.19 C ATOM 704 C ALA A 669 4.428 -6.969 1.855 1.00 0.20 C ATOM 705 O ALA A 669 5.436 -6.391 2.256 1.00 0.22 O ATOM 706 CB ALA A 669 2.312 -5.654 1.921 1.00 0.23 C ATOM 0 H ALA A 669 1.867 -7.448 0.248 1.00 0.18 H new ATOM 0 HA ALA A 669 3.880 -5.414 0.499 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.769 -4.991 2.656 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.600 -5.091 1.318 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.792 -6.463 2.435 1.00 0.23 H new ATOM 712 N ARG A 670 4.180 -8.248 2.107 1.00 0.22 N ATOM 713 CA ARG A 670 5.113 -9.070 2.858 1.00 0.26 C ATOM 714 C ARG A 670 6.408 -9.231 2.076 1.00 0.23 C ATOM 715 O ARG A 670 7.502 -9.138 2.638 1.00 0.25 O ATOM 716 CB ARG A 670 4.498 -10.435 3.153 1.00 0.33 C ATOM 717 CG ARG A 670 5.336 -11.304 4.075 1.00 0.41 C ATOM 718 CD ARG A 670 4.607 -12.591 4.416 1.00 0.83 C ATOM 719 NE ARG A 670 3.304 -12.332 5.031 1.00 1.62 N ATOM 720 CZ ARG A 670 2.210 -13.056 4.797 1.00 2.33 C ATOM 721 NH1 ARG A 670 2.259 -14.094 3.971 1.00 2.41 N ATOM 722 NH2 ARG A 670 1.067 -12.741 5.394 1.00 3.33 N ATOM 0 H ARG A 670 3.339 -8.737 1.801 1.00 0.22 H new ATOM 0 HA ARG A 670 5.333 -8.578 3.806 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.515 -10.290 3.601 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.344 -10.964 2.212 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.288 -11.536 3.597 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.564 -10.757 4.990 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.470 -13.182 3.510 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.218 -13.185 5.095 1.00 0.83 H new ATOM 0 HE ARG A 670 3.229 -11.548 5.679 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.136 -14.340 3.513 1.00 2.41 H new ATOM 0 HH12 ARG A 670 1.419 -14.646 3.795 1.00 2.41 H new ATOM 0 HH21 ARG A 670 1.027 -11.945 6.031 1.00 3.33 H new ATOM 0 HH22 ARG A 670 0.229 -13.294 5.216 1.00 3.33 H new ATOM 736 N GLU A 671 6.286 -9.447 0.771 1.00 0.22 N ATOM 737 CA GLU A 671 7.458 -9.560 -0.073 1.00 0.23 C ATOM 738 C GLU A 671 8.140 -8.205 -0.181 1.00 0.19 C ATOM 739 O GLU A 671 9.361 -8.115 -0.120 1.00 0.21 O ATOM 740 CB GLU A 671 7.096 -10.095 -1.458 1.00 0.30 C ATOM 741 CG GLU A 671 8.312 -10.351 -2.335 1.00 0.38 C ATOM 742 CD GLU A 671 7.961 -10.987 -3.659 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.125 -10.324 -4.701 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.498 -12.149 -3.666 1.00 1.11 O ATOM 0 H GLU A 671 5.395 -9.546 0.284 1.00 0.22 H new ATOM 0 HA GLU A 671 8.146 -10.273 0.382 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.534 -11.022 -1.347 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.440 -9.382 -1.956 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.827 -9.408 -2.516 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.009 -10.997 -1.801 1.00 0.38 H new ATOM 751 N ALA A 672 7.344 -7.149 -0.329 1.00 0.17 N ATOM 752 CA ALA A 672 7.870 -5.789 -0.318 1.00 0.18 C ATOM 753 C ALA A 672 8.638 -5.512 0.972 1.00 0.20 C ATOM 754 O ALA A 672 9.665 -4.839 0.963 1.00 0.23 O ATOM 755 CB ALA A 672 6.745 -4.783 -0.492 1.00 0.21 C ATOM 0 H ALA A 672 6.334 -7.210 -0.458 1.00 0.17 H new ATOM 0 HA ALA A 672 8.562 -5.686 -1.154 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.155 -3.773 -0.481 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.242 -4.960 -1.443 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.030 -4.893 0.323 1.00 0.21 H new ATOM 761 N GLU A 673 8.141 -6.050 2.080 1.00 0.22 N ATOM 762 CA GLU A 673 8.813 -5.915 3.362 1.00 0.28 C ATOM 763 C GLU A 673 10.116 -6.707 3.358 1.00 0.28 C ATOM 764 O GLU A 673 11.123 -6.269 3.913 1.00 0.31 O ATOM 765 CB GLU A 673 7.908 -6.395 4.493 1.00 0.34 C ATOM 766 CG GLU A 673 8.473 -6.139 5.878 1.00 0.70 C ATOM 767 CD GLU A 673 7.551 -6.625 6.971 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.486 -6.004 7.176 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.884 -7.630 7.629 1.00 1.76 O ATOM 0 H GLU A 673 7.273 -6.584 2.114 1.00 0.22 H new ATOM 0 HA GLU A 673 9.041 -4.862 3.525 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.941 -5.899 4.408 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.730 -7.464 4.375 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.438 -6.636 5.972 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.651 -5.071 6.004 1.00 0.70 H new ATOM 776 N MET A 674 10.095 -7.866 2.707 1.00 0.27 N ATOM 777 CA MET A 674 11.298 -8.678 2.562 1.00 0.31 C ATOM 778 C MET A 674 12.250 -8.042 1.558 1.00 0.29 C ATOM 779 O MET A 674 13.427 -8.381 1.499 1.00 0.34 O ATOM 780 CB MET A 674 10.960 -10.108 2.127 1.00 0.36 C ATOM 781 CG MET A 674 10.315 -10.945 3.218 1.00 0.54 C ATOM 782 SD MET A 674 10.267 -12.703 2.808 1.00 0.60 S ATOM 783 CE MET A 674 9.219 -12.690 1.356 1.00 0.79 C ATOM 0 H MET A 674 9.262 -8.263 2.273 1.00 0.27 H new ATOM 0 HA MET A 674 11.783 -8.726 3.537 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.289 -10.068 1.269 1.00 0.36 H new ATOM 0 HB3 MET A 674 11.873 -10.602 1.795 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.865 -10.808 4.149 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.300 -10.588 3.392 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.038 -13.714 1.029 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.269 -12.213 1.597 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.711 -12.135 0.557 1.00 0.79 H new ATOM 793 N LEU A 675 11.729 -7.128 0.760 1.00 0.26 N ATOM 794 CA LEU A 675 12.547 -6.364 -0.166 1.00 0.27 C ATOM 795 C LEU A 675 13.115 -5.135 0.529 1.00 0.30 C ATOM 796 O LEU A 675 14.184 -4.655 0.179 1.00 0.39 O ATOM 797 CB LEU A 675 11.721 -5.933 -1.386 1.00 0.27 C ATOM 798 CG LEU A 675 11.865 -6.800 -2.643 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.251 -6.651 -3.244 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.571 -8.262 -2.344 1.00 0.47 C ATOM 0 H LEU A 675 10.736 -6.895 0.734 1.00 0.26 H new ATOM 0 HA LEU A 675 13.367 -6.998 -0.503 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.669 -5.917 -1.099 1.00 0.27 H new ATOM 0 HB3 LEU A 675 11.997 -4.910 -1.642 1.00 0.27 H new ATOM 0 HG LEU A 675 11.132 -6.451 -3.370 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.330 -7.275 -4.134 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.420 -5.609 -3.515 1.00 0.53 H new ATOM 0 HD13 LEU A 675 13.999 -6.962 -2.515 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.682 -8.849 -3.256 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.269 -8.627 -1.590 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.551 -8.359 -1.972 1.00 0.47 H new ATOM 812 N PHE A 676 12.388 -4.622 1.510 1.00 0.30 N ATOM 813 CA PHE A 676 12.812 -3.419 2.210 1.00 0.37 C ATOM 814 C PHE A 676 13.733 -3.751 3.382 1.00 0.42 C ATOM 815 O PHE A 676 14.845 -3.232 3.469 1.00 0.46 O ATOM 816 CB PHE A 676 11.592 -2.624 2.692 1.00 0.44 C ATOM 817 CG PHE A 676 11.932 -1.266 3.244 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.410 -0.845 4.459 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.782 -0.415 2.555 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.725 0.399 4.971 1.00 0.78 C ATOM 821 CE2 PHE A 676 13.100 0.829 3.064 1.00 0.82 C ATOM 822 CZ PHE A 676 12.550 1.249 4.256 1.00 0.82 C ATOM 0 H PHE A 676 11.507 -5.017 1.838 1.00 0.30 H new ATOM 0 HA PHE A 676 13.377 -2.805 1.509 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.896 -2.505 1.861 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.075 -3.199 3.460 1.00 0.44 H new ATOM 0 HD1 PHE A 676 10.750 -1.498 5.011 1.00 0.68 H new ATOM 0 HD2 PHE A 676 13.200 -0.728 1.610 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.328 0.707 5.927 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.780 1.473 2.527 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.763 2.239 4.631 1.00 0.82 H new ATOM 832 N THR A 677 13.280 -4.615 4.281 1.00 0.47 N ATOM 833 CA THR A 677 14.057 -4.947 5.468 1.00 0.57 C ATOM 834 C THR A 677 14.857 -6.232 5.274 1.00 0.65 C ATOM 835 O THR A 677 15.505 -6.720 6.201 1.00 0.89 O ATOM 836 CB THR A 677 13.141 -5.097 6.702 1.00 0.77 C ATOM 837 OG1 THR A 677 12.124 -6.085 6.463 1.00 1.45 O ATOM 838 CG2 THR A 677 12.485 -3.771 7.047 1.00 0.97 C ATOM 0 H THR A 677 12.383 -5.096 4.212 1.00 0.47 H new ATOM 0 HA THR A 677 14.753 -4.125 5.633 1.00 0.57 H new ATOM 0 HB THR A 677 13.760 -5.418 7.540 1.00 0.77 H new ATOM 0 HG1 THR A 677 11.963 -6.163 5.499 1.00 1.45 H new ATOM 0 HG21 THR A 677 11.844 -3.898 7.919 1.00 0.97 H new ATOM 0 HG22 THR A 677 13.254 -3.031 7.267 1.00 0.97 H new ATOM 0 HG23 THR A 677 11.886 -3.431 6.203 1.00 0.97 H new ATOM 846 N GLY A 678 14.812 -6.774 4.068 1.00 0.61 N ATOM 847 CA GLY A 678 15.468 -8.039 3.809 1.00 0.76 C ATOM 848 C GLY A 678 14.546 -9.202 4.110 1.00 1.01 C ATOM 849 O GLY A 678 13.539 -9.031 4.800 1.00 1.40 O ATOM 0 H GLY A 678 14.335 -6.363 3.266 1.00 0.61 H new ATOM 0 HA2 GLY A 678 15.784 -8.082 2.767 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.368 -8.117 4.419 1.00 0.76 H new ATOM 853 N GLY A 679 14.863 -10.377 3.598 1.00 1.33 N ATOM 854 CA GLY A 679 14.006 -11.517 3.816 1.00 1.95 C ATOM 855 C GLY A 679 14.692 -12.823 3.511 1.00 1.80 C ATOM 856 O GLY A 679 15.878 -12.844 3.183 1.00 2.07 O ATOM 0 H GLY A 679 15.695 -10.561 3.038 1.00 1.33 H new ATOM 0 HA2 GLY A 679 13.669 -11.521 4.853 1.00 1.95 H new ATOM 0 HA3 GLY A 679 13.117 -11.423 3.192 1.00 1.95 H new ATOM 860 N TYR A 680 13.937 -13.909 3.599 1.00 1.93 N ATOM 861 CA TYR A 680 14.474 -15.246 3.376 1.00 2.05 C ATOM 862 C TYR A 680 14.767 -15.469 1.893 1.00 1.75 C ATOM 863 O TYR A 680 13.944 -16.023 1.160 1.00 2.00 O ATOM 864 CB TYR A 680 13.489 -16.304 3.888 1.00 2.63 C ATOM 865 CG TYR A 680 13.102 -16.112 5.338 1.00 3.13 C ATOM 866 CD1 TYR A 680 13.923 -16.565 6.362 1.00 3.63 C ATOM 867 CD2 TYR A 680 11.916 -15.475 5.681 1.00 3.37 C ATOM 868 CE1 TYR A 680 13.574 -16.391 7.687 1.00 4.26 C ATOM 869 CE2 TYR A 680 11.560 -15.298 7.005 1.00 3.94 C ATOM 870 CZ TYR A 680 12.392 -15.757 8.003 1.00 4.36 C ATOM 871 OH TYR A 680 12.041 -15.583 9.323 1.00 5.05 O ATOM 0 H TYR A 680 12.943 -13.890 3.825 1.00 1.93 H new ATOM 0 HA TYR A 680 15.409 -15.339 3.928 1.00 2.05 H new ATOM 0 HB2 TYR A 680 12.589 -16.280 3.273 1.00 2.63 H new ATOM 0 HB3 TYR A 680 13.932 -17.292 3.766 1.00 2.63 H new ATOM 0 HD1 TYR A 680 14.850 -17.062 6.118 1.00 3.63 H new ATOM 0 HD2 TYR A 680 11.262 -15.113 4.901 1.00 3.37 H new ATOM 0 HE1 TYR A 680 14.224 -16.750 8.471 1.00 4.26 H new ATOM 0 HE2 TYR A 680 10.634 -14.802 7.256 1.00 3.94 H new ATOM 0 HH TYR A 680 11.180 -15.118 9.374 1.00 5.05 H new ATOM 881 N GLY A 681 15.937 -15.024 1.455 1.00 1.41 N ATOM 882 CA GLY A 681 16.311 -15.158 0.061 1.00 1.29 C ATOM 883 C GLY A 681 16.033 -13.895 -0.726 1.00 1.11 C ATOM 884 O GLY A 681 16.170 -13.872 -1.948 1.00 1.20 O ATOM 0 H GLY A 681 16.636 -14.571 2.043 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.371 -15.402 -0.008 1.00 1.29 H new ATOM 0 HA3 GLY A 681 15.763 -15.989 -0.383 1.00 1.29 H new ATOM 888 N LEU A 682 15.638 -12.841 -0.026 1.00 0.95 N ATOM 889 CA LEU A 682 15.318 -11.573 -0.667 1.00 0.84 C ATOM 890 C LEU A 682 16.346 -10.513 -0.289 1.00 0.76 C ATOM 891 O LEU A 682 16.559 -10.240 0.893 1.00 0.82 O ATOM 892 CB LEU A 682 13.911 -11.087 -0.275 1.00 0.88 C ATOM 893 CG LEU A 682 12.719 -11.828 -0.907 1.00 1.02 C ATOM 894 CD1 LEU A 682 12.839 -11.868 -2.423 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.576 -13.233 -0.344 1.00 1.38 C ATOM 0 H LEU A 682 15.531 -12.839 0.988 1.00 0.95 H new ATOM 0 HA LEU A 682 15.341 -11.734 -1.745 1.00 0.84 H new ATOM 0 HB2 LEU A 682 13.818 -11.156 0.809 1.00 0.88 H new ATOM 0 HB3 LEU A 682 13.831 -10.032 -0.535 1.00 0.88 H new ATOM 0 HG LEU A 682 11.818 -11.271 -0.651 1.00 1.02 H new ATOM 0 HD11 LEU A 682 11.983 -12.397 -2.842 1.00 1.10 H new ATOM 0 HD12 LEU A 682 12.863 -10.850 -2.813 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.757 -12.385 -2.702 1.00 1.10 H new ATOM 0 HD21 LEU A 682 11.725 -13.728 -0.812 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.483 -13.801 -0.549 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.417 -13.179 0.733 1.00 1.38 H new ATOM 907 N GLU A 683 16.990 -9.938 -1.293 1.00 0.78 N ATOM 908 CA GLU A 683 17.947 -8.860 -1.077 1.00 0.79 C ATOM 909 C GLU A 683 17.208 -7.536 -0.967 1.00 0.68 C ATOM 910 O GLU A 683 16.277 -7.273 -1.730 1.00 0.78 O ATOM 911 CB GLU A 683 18.941 -8.790 -2.234 1.00 0.99 C ATOM 912 CG GLU A 683 19.696 -10.084 -2.476 1.00 1.48 C ATOM 913 CD GLU A 683 20.581 -10.007 -3.699 1.00 2.22 C ATOM 914 OE1 GLU A 683 21.820 -9.981 -3.536 1.00 2.83 O ATOM 915 OE2 GLU A 683 20.046 -9.972 -4.828 1.00 2.76 O ATOM 0 H GLU A 683 16.867 -10.201 -2.271 1.00 0.78 H new ATOM 0 HA GLU A 683 18.492 -9.056 -0.154 1.00 0.79 H new ATOM 0 HB2 GLU A 683 18.406 -8.518 -3.144 1.00 0.99 H new ATOM 0 HB3 GLU A 683 19.659 -7.994 -2.036 1.00 0.99 H new ATOM 0 HG2 GLU A 683 20.305 -10.316 -1.603 1.00 1.48 H new ATOM 0 HG3 GLU A 683 18.985 -10.901 -2.595 1.00 1.48 H new ATOM 922 N LYS A 684 17.622 -6.701 -0.027 1.00 0.64 N ATOM 923 CA LYS A 684 16.937 -5.442 0.200 1.00 0.59 C ATOM 924 C LYS A 684 17.221 -4.446 -0.927 1.00 0.52 C ATOM 925 O LYS A 684 18.373 -4.193 -1.288 1.00 0.69 O ATOM 926 CB LYS A 684 17.299 -4.849 1.568 1.00 0.70 C ATOM 927 CG LYS A 684 18.711 -4.291 1.671 1.00 0.85 C ATOM 928 CD LYS A 684 18.999 -3.767 3.069 1.00 0.94 C ATOM 929 CE LYS A 684 17.942 -2.773 3.537 1.00 1.09 C ATOM 930 NZ LYS A 684 18.294 -2.167 4.846 1.00 1.72 N ATOM 0 H LYS A 684 18.421 -6.871 0.584 1.00 0.64 H new ATOM 0 HA LYS A 684 15.866 -5.645 0.201 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.592 -4.053 1.802 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.173 -5.621 2.327 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.431 -5.069 1.417 1.00 0.85 H new ATOM 0 HG3 LYS A 684 18.840 -3.488 0.946 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.044 -4.603 3.767 1.00 0.94 H new ATOM 0 HD3 LYS A 684 19.978 -3.288 3.082 1.00 0.94 H new ATOM 0 HE2 LYS A 684 17.828 -1.986 2.791 1.00 1.09 H new ATOM 0 HE3 LYS A 684 16.979 -3.278 3.618 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.425 -1.960 5.378 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 18.882 -2.831 5.389 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 18.822 -1.285 4.689 1.00 1.72 H new ATOM 944 N ASP A 685 16.147 -3.911 -1.485 1.00 0.36 N ATOM 945 CA ASP A 685 16.220 -2.924 -2.556 1.00 0.32 C ATOM 946 C ASP A 685 15.085 -1.919 -2.392 1.00 0.27 C ATOM 947 O ASP A 685 13.948 -2.199 -2.780 1.00 0.26 O ATOM 948 CB ASP A 685 16.116 -3.600 -3.929 1.00 0.35 C ATOM 949 CG ASP A 685 16.201 -2.602 -5.070 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.330 -2.289 -5.508 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.147 -2.130 -5.540 1.00 1.68 O ATOM 0 H ASP A 685 15.195 -4.149 -1.208 1.00 0.36 H new ATOM 0 HA ASP A 685 17.181 -2.413 -2.497 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.915 -4.335 -4.031 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.173 -4.143 -3.994 1.00 0.35 H new ATOM 956 N PRO A 686 15.369 -0.743 -1.797 1.00 0.29 N ATOM 957 CA PRO A 686 14.347 0.278 -1.500 1.00 0.29 C ATOM 958 C PRO A 686 13.492 0.652 -2.710 1.00 0.25 C ATOM 959 O PRO A 686 12.310 0.977 -2.567 1.00 0.25 O ATOM 960 CB PRO A 686 15.168 1.485 -1.038 1.00 0.37 C ATOM 961 CG PRO A 686 16.430 0.902 -0.507 1.00 0.42 C ATOM 962 CD PRO A 686 16.714 -0.313 -1.356 1.00 0.37 C ATOM 0 HA PRO A 686 13.632 -0.086 -0.762 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.364 2.170 -1.863 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.641 2.053 -0.271 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.248 1.620 -0.567 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.323 0.629 0.543 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.356 -0.071 -2.203 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.219 -1.093 -0.786 1.00 0.37 H new ATOM 970 N GLN A 687 14.077 0.583 -3.898 1.00 0.25 N ATOM 971 CA GLN A 687 13.369 0.954 -5.114 1.00 0.27 C ATOM 972 C GLN A 687 12.237 -0.029 -5.397 1.00 0.23 C ATOM 973 O GLN A 687 11.068 0.364 -5.491 1.00 0.24 O ATOM 974 CB GLN A 687 14.345 1.003 -6.291 1.00 0.35 C ATOM 975 CG GLN A 687 13.722 1.435 -7.608 1.00 0.65 C ATOM 976 CD GLN A 687 13.063 2.798 -7.530 1.00 1.23 C ATOM 977 OE1 GLN A 687 13.714 3.827 -7.717 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.762 2.816 -7.287 1.00 1.23 N ATOM 0 H GLN A 687 15.038 0.274 -4.045 1.00 0.25 H new ATOM 0 HA GLN A 687 12.932 1.943 -4.978 1.00 0.27 H new ATOM 0 HB2 GLN A 687 15.157 1.688 -6.045 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.789 0.016 -6.420 1.00 0.35 H new ATOM 0 HG2 GLN A 687 14.492 1.453 -8.380 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.981 0.696 -7.914 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.259 1.941 -7.138 1.00 1.23 H new ATOM 0 HE22 GLN A 687 11.262 3.705 -7.249 1.00 1.23 H new ATOM 987 N ARG A 688 12.574 -1.314 -5.472 1.00 0.22 N ATOM 988 CA ARG A 688 11.585 -2.341 -5.760 1.00 0.23 C ATOM 989 C ARG A 688 10.633 -2.466 -4.580 1.00 0.18 C ATOM 990 O ARG A 688 9.459 -2.797 -4.748 1.00 0.20 O ATOM 991 CB ARG A 688 12.271 -3.683 -6.057 1.00 0.29 C ATOM 992 CG ARG A 688 11.407 -4.676 -6.833 1.00 0.70 C ATOM 993 CD ARG A 688 10.464 -5.458 -5.930 1.00 0.78 C ATOM 994 NE ARG A 688 9.489 -6.238 -6.696 1.00 1.67 N ATOM 995 CZ ARG A 688 9.044 -7.447 -6.343 1.00 2.16 C ATOM 996 NH1 ARG A 688 9.526 -8.058 -5.266 1.00 1.85 N ATOM 997 NH2 ARG A 688 8.118 -8.053 -7.074 1.00 3.24 N ATOM 0 H ARG A 688 13.522 -1.665 -5.337 1.00 0.22 H new ATOM 0 HA ARG A 688 11.017 -2.058 -6.646 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.183 -3.493 -6.623 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.571 -4.140 -5.114 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.825 -4.139 -7.582 1.00 0.70 H new ATOM 0 HG3 ARG A 688 12.052 -5.372 -7.369 1.00 0.70 H new ATOM 0 HD2 ARG A 688 11.043 -6.127 -5.294 1.00 0.78 H new ATOM 0 HD3 ARG A 688 9.938 -4.767 -5.271 1.00 0.78 H new ATOM 0 HE ARG A 688 9.125 -5.830 -7.557 1.00 1.67 H new ATOM 0 HH11 ARG A 688 10.243 -7.604 -4.700 1.00 1.85 H new ATOM 0 HH12 ARG A 688 9.179 -8.981 -5.005 1.00 1.85 H new ATOM 0 HH21 ARG A 688 7.745 -7.596 -7.906 1.00 3.24 H new ATOM 0 HH22 ARG A 688 7.779 -8.976 -6.804 1.00 3.24 H new ATOM 1011 N SER A 689 11.150 -2.189 -3.386 1.00 0.16 N ATOM 1012 CA SER A 689 10.330 -2.174 -2.184 1.00 0.17 C ATOM 1013 C SER A 689 9.149 -1.234 -2.360 1.00 0.15 C ATOM 1014 O SER A 689 8.002 -1.633 -2.150 1.00 0.16 O ATOM 1015 CB SER A 689 11.153 -1.743 -0.974 1.00 0.21 C ATOM 1016 OG SER A 689 12.287 -2.569 -0.811 1.00 1.11 O ATOM 0 H SER A 689 12.134 -1.972 -3.228 1.00 0.16 H new ATOM 0 HA SER A 689 9.960 -3.185 -2.015 1.00 0.17 H new ATOM 0 HB2 SER A 689 11.468 -0.707 -1.095 1.00 0.21 H new ATOM 0 HB3 SER A 689 10.536 -1.786 -0.077 1.00 0.21 H new ATOM 0 HG SER A 689 12.876 -2.473 -1.588 1.00 1.11 H new ATOM 1022 N GLY A 690 9.413 0.006 -2.776 1.00 0.16 N ATOM 1023 CA GLY A 690 8.342 0.959 -2.957 1.00 0.18 C ATOM 1024 C GLY A 690 7.445 0.589 -4.111 1.00 0.17 C ATOM 1025 O GLY A 690 6.234 0.795 -4.047 1.00 0.19 O ATOM 0 H GLY A 690 10.346 0.360 -2.988 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.751 1.018 -2.043 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.763 1.950 -3.129 1.00 0.18 H new ATOM 1029 N ASP A 691 8.029 0.024 -5.164 1.00 0.17 N ATOM 1030 CA ASP A 691 7.245 -0.397 -6.321 1.00 0.20 C ATOM 1031 C ASP A 691 6.241 -1.467 -5.918 1.00 0.18 C ATOM 1032 O ASP A 691 5.055 -1.365 -6.229 1.00 0.22 O ATOM 1033 CB ASP A 691 8.139 -0.915 -7.451 1.00 0.26 C ATOM 1034 CG ASP A 691 8.674 0.200 -8.329 1.00 0.82 C ATOM 1035 OD1 ASP A 691 8.012 0.556 -9.326 1.00 0.84 O ATOM 1036 OD2 ASP A 691 9.761 0.736 -8.017 1.00 1.54 O ATOM 0 H ASP A 691 9.031 -0.151 -5.240 1.00 0.17 H new ATOM 0 HA ASP A 691 6.710 0.477 -6.692 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.975 -1.468 -7.023 1.00 0.26 H new ATOM 0 HB3 ASP A 691 7.573 -1.616 -8.065 1.00 0.26 H new ATOM 1041 N LEU A 692 6.700 -2.474 -5.187 1.00 0.16 N ATOM 1042 CA LEU A 692 5.823 -3.559 -4.790 1.00 0.16 C ATOM 1043 C LEU A 692 4.877 -3.114 -3.675 1.00 0.15 C ATOM 1044 O LEU A 692 3.744 -3.582 -3.602 1.00 0.16 O ATOM 1045 CB LEU A 692 6.626 -4.787 -4.362 1.00 0.20 C ATOM 1046 CG LEU A 692 5.805 -6.066 -4.195 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.099 -6.428 -5.491 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.693 -7.208 -3.749 1.00 0.73 C ATOM 0 H LEU A 692 7.663 -2.559 -4.862 1.00 0.16 H new ATOM 0 HA LEU A 692 5.222 -3.836 -5.656 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.407 -4.968 -5.100 1.00 0.20 H new ATOM 0 HB3 LEU A 692 7.124 -4.566 -3.418 1.00 0.20 H new ATOM 0 HG LEU A 692 5.050 -5.887 -3.430 1.00 0.48 H new ATOM 0 HD11 LEU A 692 4.521 -7.341 -5.348 1.00 1.35 H new ATOM 0 HD12 LEU A 692 4.430 -5.617 -5.780 1.00 1.35 H new ATOM 0 HD13 LEU A 692 5.838 -6.586 -6.276 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.094 -8.111 -3.635 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.468 -7.379 -4.496 1.00 0.73 H new ATOM 0 HD23 LEU A 692 7.157 -6.957 -2.795 1.00 0.73 H new ATOM 1060 N TYR A 693 5.332 -2.203 -2.815 1.00 0.15 N ATOM 1061 CA TYR A 693 4.463 -1.653 -1.773 1.00 0.17 C ATOM 1062 C TYR A 693 3.339 -0.823 -2.387 1.00 0.18 C ATOM 1063 O TYR A 693 2.211 -0.837 -1.896 1.00 0.20 O ATOM 1064 CB TYR A 693 5.243 -0.804 -0.757 1.00 0.21 C ATOM 1065 CG TYR A 693 5.543 -1.532 0.540 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.513 -2.082 1.293 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.842 -1.657 1.020 1.00 0.69 C ATOM 1068 CE1 TYR A 693 4.767 -2.736 2.482 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.104 -2.314 2.208 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.063 -2.851 2.935 1.00 1.05 C ATOM 1071 OH TYR A 693 6.316 -3.499 4.123 1.00 1.33 O ATOM 0 H TYR A 693 6.283 -1.834 -2.817 1.00 0.15 H new ATOM 0 HA TYR A 693 4.034 -2.501 -1.240 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.181 -0.483 -1.209 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.672 0.097 -0.534 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.495 -1.996 0.942 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.660 -1.234 0.456 1.00 0.69 H new ATOM 0 HE1 TYR A 693 3.953 -3.156 3.055 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.119 -2.406 2.565 1.00 0.96 H new ATOM 0 HH TYR A 693 7.280 -3.494 4.299 1.00 1.33 H new ATOM 1081 N THR A 694 3.636 -0.117 -3.473 1.00 0.19 N ATOM 1082 CA THR A 694 2.615 0.671 -4.148 1.00 0.22 C ATOM 1083 C THR A 694 1.686 -0.235 -4.947 1.00 0.20 C ATOM 1084 O THR A 694 0.487 0.028 -5.050 1.00 0.21 O ATOM 1085 CB THR A 694 3.217 1.764 -5.057 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.307 1.236 -5.818 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.700 2.945 -4.231 1.00 0.31 C ATOM 0 H THR A 694 4.562 -0.075 -3.899 1.00 0.19 H new ATOM 0 HA THR A 694 2.041 1.181 -3.374 1.00 0.22 H new ATOM 0 HB THR A 694 2.436 2.104 -5.737 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.133 1.302 -5.295 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.120 3.703 -4.892 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.862 3.370 -3.678 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.465 2.610 -3.530 1.00 0.31 H new ATOM 1095 N GLN A 695 2.233 -1.327 -5.481 1.00 0.19 N ATOM 1096 CA GLN A 695 1.411 -2.338 -6.134 1.00 0.20 C ATOM 1097 C GLN A 695 0.502 -2.989 -5.097 1.00 0.17 C ATOM 1098 O GLN A 695 -0.681 -3.237 -5.349 1.00 0.18 O ATOM 1099 CB GLN A 695 2.282 -3.400 -6.812 1.00 0.25 C ATOM 1100 CG GLN A 695 3.132 -2.862 -7.952 1.00 0.85 C ATOM 1101 CD GLN A 695 3.995 -3.933 -8.595 1.00 1.44 C ATOM 1102 OE1 GLN A 695 5.132 -4.158 -8.180 1.00 2.09 O ATOM 1103 NE2 GLN A 695 3.466 -4.604 -9.609 1.00 2.13 N ATOM 0 H GLN A 695 3.232 -1.531 -5.473 1.00 0.19 H new ATOM 0 HA GLN A 695 0.808 -1.858 -6.905 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.936 -3.851 -6.065 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.640 -4.194 -7.194 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.482 -2.422 -8.708 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.771 -2.063 -7.577 1.00 0.85 H new ATOM 0 HE21 GLN A 695 2.520 -4.389 -9.925 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.005 -5.335 -10.073 1.00 2.13 H new ATOM 1112 N ALA A 696 1.066 -3.246 -3.919 1.00 0.16 N ATOM 1113 CA ALA A 696 0.305 -3.770 -2.801 1.00 0.16 C ATOM 1114 C ALA A 696 -0.778 -2.791 -2.379 1.00 0.16 C ATOM 1115 O ALA A 696 -1.894 -3.202 -2.070 1.00 0.16 O ATOM 1116 CB ALA A 696 1.217 -4.087 -1.626 1.00 0.18 C ATOM 0 H ALA A 696 2.055 -3.097 -3.719 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.173 -4.695 -3.125 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.623 -4.478 -0.800 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.954 -4.831 -1.928 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.728 -3.179 -1.307 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.467 -1.494 -2.381 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.452 -0.480 -2.036 1.00 0.17 C ATOM 1124 C ALA A 697 -2.563 -0.445 -3.071 1.00 0.16 C ATOM 1125 O ALA A 697 -3.731 -0.257 -2.731 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.799 0.890 -1.915 1.00 0.20 C ATOM 0 H ALA A 697 0.455 -1.127 -2.617 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.883 -0.740 -1.069 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.555 1.632 -1.657 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.037 0.862 -1.136 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.337 1.158 -2.865 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.196 -0.641 -4.335 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.183 -0.731 -5.400 1.00 0.20 C ATOM 1134 C GLU A 698 -4.124 -1.894 -5.134 1.00 0.18 C ATOM 1135 O GLU A 698 -5.344 -1.729 -5.143 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.521 -0.904 -6.772 1.00 0.26 C ATOM 1137 CG GLU A 698 -1.952 0.378 -7.364 1.00 1.02 C ATOM 1138 CD GLU A 698 -1.429 0.172 -8.771 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -0.197 0.219 -8.966 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.244 -0.036 -9.692 1.00 1.40 O ATOM 0 H GLU A 698 -1.228 -0.740 -4.642 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.745 0.203 -5.414 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.718 -1.636 -6.684 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -3.254 -1.316 -7.466 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.725 1.147 -7.374 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -1.146 0.744 -6.728 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.552 -3.061 -4.853 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.345 -4.248 -4.571 1.00 0.18 C ATOM 1149 C ALA A 699 -5.151 -4.070 -3.288 1.00 0.15 C ATOM 1150 O ALA A 699 -6.243 -4.619 -3.148 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.444 -5.470 -4.467 1.00 0.21 C ATOM 0 H ALA A 699 -2.543 -3.208 -4.815 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.045 -4.397 -5.393 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.049 -6.351 -4.256 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.913 -5.612 -5.408 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.723 -5.323 -3.662 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.609 -3.286 -2.364 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.271 -3.016 -1.096 1.00 0.13 C ATOM 1159 C ALA A 700 -6.494 -2.136 -1.303 1.00 0.13 C ATOM 1160 O ALA A 700 -7.593 -2.490 -0.890 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.311 -2.366 -0.113 1.00 0.14 C ATOM 0 H ALA A 700 -3.706 -2.824 -2.472 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.598 -3.968 -0.678 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.828 -2.174 0.827 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.467 -3.033 0.066 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -3.948 -1.425 -0.527 1.00 0.14 H new ATOM 1167 N MET A 701 -6.308 -1.003 -1.967 1.00 0.15 N ATOM 1168 CA MET A 701 -7.411 -0.076 -2.193 1.00 0.20 C ATOM 1169 C MET A 701 -8.416 -0.676 -3.169 1.00 0.23 C ATOM 1170 O MET A 701 -9.598 -0.337 -3.145 1.00 0.28 O ATOM 1171 CB MET A 701 -6.901 1.281 -2.698 1.00 0.27 C ATOM 1172 CG MET A 701 -6.279 1.253 -4.086 1.00 0.44 C ATOM 1173 SD MET A 701 -5.730 2.886 -4.619 1.00 0.74 S ATOM 1174 CE MET A 701 -5.116 2.526 -6.260 1.00 0.76 C ATOM 0 H MET A 701 -5.413 -0.705 -2.356 1.00 0.15 H new ATOM 0 HA MET A 701 -7.913 0.094 -1.240 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.732 1.987 -2.702 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.163 1.661 -1.992 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.431 0.568 -4.089 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.005 0.865 -4.800 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.041 2.702 -6.293 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.321 1.484 -6.505 1.00 0.76 H new ATOM 0 HE3 MET A 701 -5.612 3.173 -6.984 1.00 0.76 H new ATOM 1184 N GLU A 702 -7.941 -1.583 -4.016 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.812 -2.322 -4.919 1.00 0.31 C ATOM 1186 C GLU A 702 -9.651 -3.325 -4.126 1.00 0.29 C ATOM 1187 O GLU A 702 -10.805 -3.602 -4.459 1.00 0.36 O ATOM 1188 CB GLU A 702 -7.966 -3.048 -5.965 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.765 -3.855 -6.971 1.00 1.14 C ATOM 1190 CD GLU A 702 -7.874 -4.681 -7.870 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.351 -4.137 -8.863 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.680 -5.881 -7.579 1.00 2.58 O ATOM 0 H GLU A 702 -6.953 -1.824 -4.095 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.483 -1.628 -5.425 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.366 -2.313 -6.502 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.271 -3.714 -5.453 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.456 -4.512 -6.442 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.369 -3.181 -7.579 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.061 -3.845 -3.058 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.732 -4.806 -2.195 1.00 0.32 C ATOM 1201 C ALA A 703 -10.490 -4.101 -1.073 1.00 0.33 C ATOM 1202 O ALA A 703 -10.816 -4.715 -0.059 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.725 -5.791 -1.620 1.00 0.39 C ATOM 0 H ALA A 703 -8.111 -3.614 -2.767 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.456 -5.355 -2.796 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.240 -6.504 -0.976 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.234 -6.325 -2.433 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -7.979 -5.250 -1.038 1.00 0.39 H new ATOM 1209 N MET A 704 -10.740 -2.801 -1.264 1.00 0.33 N ATOM 1210 CA MET A 704 -11.544 -2.003 -0.335 1.00 0.44 C ATOM 1211 C MET A 704 -10.830 -1.843 1.013 1.00 0.41 C ATOM 1212 O MET A 704 -11.455 -1.579 2.041 1.00 0.58 O ATOM 1213 CB MET A 704 -12.920 -2.654 -0.142 1.00 0.61 C ATOM 1214 CG MET A 704 -14.003 -1.701 0.329 1.00 1.01 C ATOM 1215 SD MET A 704 -14.394 -0.438 -0.896 1.00 2.03 S ATOM 1216 CE MET A 704 -15.860 0.283 -0.167 1.00 2.61 C ATOM 0 H MET A 704 -10.391 -2.275 -2.065 1.00 0.33 H new ATOM 0 HA MET A 704 -11.679 -1.009 -0.761 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.232 -3.102 -1.085 1.00 0.61 H new ATOM 0 HB3 MET A 704 -12.827 -3.465 0.581 1.00 0.61 H new ATOM 0 HG2 MET A 704 -14.905 -2.268 0.562 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.682 -1.219 1.253 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.405 0.844 -0.926 1.00 2.61 H new ATOM 0 HE2 MET A 704 -16.497 -0.509 0.227 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.572 0.953 0.643 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.511 -1.984 0.994 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.708 -1.918 2.209 1.00 0.34 C ATOM 1228 C LYS A 705 -8.021 -0.559 2.322 1.00 0.31 C ATOM 1229 O LYS A 705 -6.818 -0.439 2.068 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.656 -3.034 2.207 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.230 -4.431 2.028 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.057 -4.860 3.227 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.634 -6.251 3.029 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.393 -6.715 4.217 1.00 1.59 N ATOM 0 H LYS A 705 -8.971 -2.146 0.144 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.368 -2.050 3.067 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -6.940 -2.842 1.407 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.103 -2.998 3.145 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -8.849 -4.457 1.131 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.417 -5.141 1.875 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.437 -4.845 4.123 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -9.866 -4.148 3.387 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.289 -6.250 2.158 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.826 -6.952 2.819 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -10.987 -7.527 3.954 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -9.728 -7.000 4.964 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.997 -5.944 4.566 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.788 0.458 2.702 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.255 1.807 2.807 1.00 0.47 C ATOM 1250 C GLY A 706 -7.071 1.915 3.754 1.00 0.42 C ATOM 1251 O GLY A 706 -6.031 2.475 3.393 1.00 0.40 O ATOM 0 H GLY A 706 -9.776 0.372 2.941 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.952 2.148 1.817 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -9.045 2.477 3.147 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.233 1.385 4.963 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.178 1.405 5.978 1.00 0.47 C ATOM 1257 C ARG A 707 -4.880 0.821 5.428 1.00 0.38 C ATOM 1258 O ARG A 707 -3.815 1.437 5.520 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.621 0.591 7.197 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.828 0.877 8.459 1.00 0.72 C ATOM 1261 CD ARG A 707 -6.028 2.310 8.922 1.00 1.28 C ATOM 1262 NE ARG A 707 -7.444 2.684 8.928 1.00 2.07 N ATOM 1263 CZ ARG A 707 -7.994 3.532 9.788 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -7.276 4.060 10.770 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -9.277 3.836 9.673 1.00 3.90 N ATOM 0 H ARG A 707 -8.094 0.931 5.268 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.000 2.441 6.266 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.675 0.792 7.390 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.537 -0.470 6.961 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -6.136 0.191 9.248 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.769 0.696 8.275 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -5.616 2.430 9.924 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -5.476 2.984 8.267 1.00 1.28 H new ATOM 0 HE ARG A 707 -8.049 2.264 8.223 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.291 3.815 10.870 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -7.709 4.711 11.425 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -9.835 3.419 8.928 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -9.708 4.487 10.330 1.00 3.90 H new ATOM 1279 N LEU A 708 -4.992 -0.359 4.831 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.838 -1.071 4.304 1.00 0.30 C ATOM 1281 C LEU A 708 -3.170 -0.264 3.199 1.00 0.23 C ATOM 1282 O LEU A 708 -1.949 -0.113 3.188 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.247 -2.452 3.771 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.530 -3.537 4.826 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.313 -3.761 5.707 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.746 -3.190 5.675 1.00 1.02 C ATOM 0 H LEU A 708 -5.879 -0.845 4.700 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.127 -1.209 5.118 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.140 -2.331 3.158 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.456 -2.813 3.114 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.750 -4.462 4.293 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.535 -4.532 6.445 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.472 -4.080 5.091 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.057 -2.832 6.217 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.915 -3.979 6.408 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.572 -2.246 6.191 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.623 -3.097 5.034 1.00 1.02 H new ATOM 1298 N ALA A 709 -3.981 0.264 2.287 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.476 1.068 1.181 1.00 0.18 C ATOM 1300 C ALA A 709 -2.704 2.279 1.694 1.00 0.19 C ATOM 1301 O ALA A 709 -1.612 2.577 1.210 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.617 1.502 0.276 1.00 0.21 C ATOM 0 H ALA A 709 -4.994 0.148 2.293 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.788 0.454 0.600 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.223 2.101 -0.545 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.118 0.621 -0.126 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.330 2.095 0.849 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.264 2.951 2.696 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.608 4.112 3.294 1.00 0.29 C ATOM 1310 C ASN A 710 -1.271 3.715 3.906 1.00 0.25 C ATOM 1311 O ASN A 710 -0.246 4.340 3.636 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.498 4.760 4.364 1.00 0.38 C ATOM 1313 CG ASN A 710 -4.518 5.727 3.784 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -4.269 6.928 3.699 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -5.673 5.217 3.382 1.00 1.45 N ATOM 0 H ASN A 710 -4.166 2.714 3.110 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.435 4.840 2.501 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.020 3.979 4.916 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -2.869 5.290 5.079 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -6.390 5.826 2.987 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -5.846 4.215 3.468 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.288 2.665 4.721 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.075 2.164 5.360 1.00 0.26 C ATOM 1324 C GLN A 711 0.996 1.810 4.329 1.00 0.22 C ATOM 1325 O GLN A 711 2.114 2.322 4.382 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.400 0.941 6.218 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.178 1.267 7.484 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.754 0.032 8.156 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -2.787 0.103 8.818 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -1.098 -1.109 7.984 1.00 1.09 N ATOM 0 H GLN A 711 -2.132 2.142 4.956 1.00 0.25 H new ATOM 0 HA GLN A 711 0.320 2.957 5.995 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.975 0.233 5.621 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.530 0.444 6.493 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.522 1.784 8.185 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -1.989 1.954 7.240 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -0.244 -1.127 7.427 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.448 -1.968 8.409 1.00 1.09 H new ATOM 1339 N TYR A 712 0.646 0.937 3.395 1.00 0.20 N ATOM 1340 CA TYR A 712 1.598 0.480 2.387 1.00 0.20 C ATOM 1341 C TYR A 712 2.107 1.631 1.523 1.00 0.20 C ATOM 1342 O TYR A 712 3.267 1.629 1.109 1.00 0.21 O ATOM 1343 CB TYR A 712 0.988 -0.623 1.520 1.00 0.22 C ATOM 1344 CG TYR A 712 0.587 -1.852 2.308 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.261 -2.216 3.470 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.468 -2.646 1.890 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.891 -3.335 4.188 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.843 -3.766 2.602 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.162 -4.107 3.750 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.535 -5.222 4.463 1.00 0.44 O ATOM 0 H TYR A 712 -0.286 0.531 3.312 1.00 0.20 H new ATOM 0 HA TYR A 712 2.456 0.066 2.916 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.112 -0.228 1.005 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.706 -0.911 0.752 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.087 -1.613 3.816 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.006 -2.384 0.991 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.424 -3.604 5.088 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.668 -4.374 2.261 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.352 -5.600 4.076 1.00 0.44 H new ATOM 1360 N TYR A 713 1.265 2.630 1.273 1.00 0.21 N ATOM 1361 CA TYR A 713 1.702 3.788 0.500 1.00 0.25 C ATOM 1362 C TYR A 713 2.666 4.628 1.335 1.00 0.23 C ATOM 1363 O TYR A 713 3.693 5.095 0.839 1.00 0.25 O ATOM 1364 CB TYR A 713 0.510 4.640 0.049 1.00 0.32 C ATOM 1365 CG TYR A 713 0.841 5.564 -1.102 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.274 6.865 -0.877 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.729 5.129 -2.416 1.00 0.96 C ATOM 1368 CE1 TYR A 713 1.586 7.703 -1.928 1.00 2.50 C ATOM 1369 CE2 TYR A 713 1.038 5.963 -3.472 1.00 1.50 C ATOM 1370 CZ TYR A 713 1.466 7.249 -3.223 1.00 2.20 C ATOM 1371 OH TYR A 713 1.783 8.081 -4.274 1.00 2.95 O ATOM 0 H TYR A 713 0.295 2.662 1.587 1.00 0.21 H new ATOM 0 HA TYR A 713 2.212 3.431 -0.395 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.308 3.982 -0.245 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.155 5.233 0.892 1.00 0.32 H new ATOM 0 HD1 TYR A 713 1.368 7.226 0.137 1.00 1.81 H new ATOM 0 HD2 TYR A 713 0.395 4.122 -2.615 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.923 8.711 -1.736 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.945 5.609 -4.488 1.00 1.50 H new ATOM 0 HH TYR A 713 1.644 7.606 -5.120 1.00 2.95 H new ATOM 1381 N GLN A 714 2.343 4.779 2.617 1.00 0.24 N ATOM 1382 CA GLN A 714 3.189 5.514 3.552 1.00 0.28 C ATOM 1383 C GLN A 714 4.523 4.797 3.721 1.00 0.23 C ATOM 1384 O GLN A 714 5.553 5.408 4.019 1.00 0.26 O ATOM 1385 CB GLN A 714 2.487 5.624 4.907 1.00 0.36 C ATOM 1386 CG GLN A 714 3.164 6.566 5.886 1.00 0.65 C ATOM 1387 CD GLN A 714 2.453 6.617 7.224 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.865 5.500 7.624 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 2.440 7.645 7.899 1.00 1.98 N flip ATOM 0 H GLN A 714 1.494 4.398 3.034 1.00 0.24 H new ATOM 0 HA GLN A 714 3.370 6.514 3.158 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.463 5.960 4.746 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.430 4.632 5.355 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.196 6.248 6.038 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.199 7.568 5.458 1.00 0.65 H new ATOM 0 HE21 GLN A 714 2.905 8.486 7.556 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.965 7.657 8.801 1.00 1.98 H new ATOM 1398 N LYS A 715 4.503 3.496 3.481 1.00 0.21 N ATOM 1399 CA LYS A 715 5.687 2.683 3.650 1.00 0.22 C ATOM 1400 C LYS A 715 6.509 2.732 2.368 1.00 0.20 C ATOM 1401 O LYS A 715 7.736 2.673 2.402 1.00 0.23 O ATOM 1402 CB LYS A 715 5.306 1.239 3.998 1.00 0.27 C ATOM 1403 CG LYS A 715 6.488 0.359 4.383 1.00 0.61 C ATOM 1404 CD LYS A 715 7.118 0.800 5.695 1.00 0.86 C ATOM 1405 CE LYS A 715 8.184 -0.176 6.159 1.00 1.16 C ATOM 1406 NZ LYS A 715 8.801 0.243 7.444 1.00 1.67 N ATOM 0 H LYS A 715 3.678 2.984 3.169 1.00 0.21 H new ATOM 0 HA LYS A 715 6.282 3.075 4.475 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.593 1.251 4.822 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.798 0.793 3.143 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.158 -0.676 4.469 1.00 0.61 H new ATOM 0 HG3 LYS A 715 7.237 0.390 3.592 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.558 1.790 5.573 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.346 0.886 6.459 1.00 0.86 H new ATOM 0 HE2 LYS A 715 7.743 -1.166 6.274 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.957 -0.258 5.395 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 9.271 -0.573 7.886 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 9.501 0.991 7.265 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 8.063 0.605 8.082 1.00 1.67 H new ATOM 1420 N ALA A 716 5.816 2.860 1.239 1.00 0.17 N ATOM 1421 CA ALA A 716 6.468 3.053 -0.046 1.00 0.18 C ATOM 1422 C ALA A 716 7.215 4.378 -0.058 1.00 0.21 C ATOM 1423 O ALA A 716 8.380 4.451 -0.472 1.00 0.25 O ATOM 1424 CB ALA A 716 5.441 3.016 -1.169 1.00 0.21 C ATOM 0 H ALA A 716 4.797 2.833 1.192 1.00 0.17 H new ATOM 0 HA ALA A 716 7.183 2.245 -0.202 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.943 3.162 -2.126 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.935 2.050 -1.168 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.709 3.809 -1.019 1.00 0.21 H new ATOM 1430 N GLU A 717 6.543 5.422 0.416 1.00 0.24 N ATOM 1431 CA GLU A 717 7.150 6.736 0.509 1.00 0.32 C ATOM 1432 C GLU A 717 8.336 6.702 1.460 1.00 0.31 C ATOM 1433 O GLU A 717 9.388 7.270 1.166 1.00 0.33 O ATOM 1434 CB GLU A 717 6.119 7.765 0.971 1.00 0.45 C ATOM 1435 CG GLU A 717 5.000 7.995 -0.034 1.00 1.26 C ATOM 1436 CD GLU A 717 5.487 8.660 -1.306 1.00 1.60 C ATOM 1437 OE1 GLU A 717 5.213 9.865 -1.503 1.00 2.16 O ATOM 1438 OE2 GLU A 717 6.144 7.982 -2.118 1.00 2.04 O ATOM 0 H GLU A 717 5.577 5.379 0.741 1.00 0.24 H new ATOM 0 HA GLU A 717 7.508 7.027 -0.478 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.686 7.436 1.916 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.623 8.712 1.164 1.00 0.45 H new ATOM 0 HG2 GLU A 717 4.537 7.040 -0.282 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.228 8.614 0.423 1.00 1.26 H new ATOM 1445 N GLU A 718 8.159 6.023 2.594 1.00 0.31 N ATOM 1446 CA GLU A 718 9.247 5.825 3.546 1.00 0.36 C ATOM 1447 C GLU A 718 10.424 5.117 2.880 1.00 0.33 C ATOM 1448 O GLU A 718 11.572 5.518 3.050 1.00 0.36 O ATOM 1449 CB GLU A 718 8.765 5.005 4.744 1.00 0.43 C ATOM 1450 CG GLU A 718 9.841 4.748 5.789 1.00 1.06 C ATOM 1451 CD GLU A 718 9.380 3.809 6.884 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.545 4.222 7.716 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.851 2.652 6.923 1.00 2.20 O ATOM 0 H GLU A 718 7.273 5.602 2.873 1.00 0.31 H new ATOM 0 HA GLU A 718 9.575 6.805 3.892 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.931 5.525 5.216 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.383 4.048 4.387 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.721 4.328 5.302 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.144 5.696 6.233 1.00 1.06 H new ATOM 1460 N ALA A 719 10.121 4.074 2.112 1.00 0.28 N ATOM 1461 CA ALA A 719 11.146 3.288 1.436 1.00 0.29 C ATOM 1462 C ALA A 719 12.036 4.168 0.567 1.00 0.30 C ATOM 1463 O ALA A 719 13.262 4.138 0.690 1.00 0.37 O ATOM 1464 CB ALA A 719 10.506 2.192 0.595 1.00 0.28 C ATOM 0 H ALA A 719 9.168 3.753 1.942 1.00 0.28 H new ATOM 0 HA ALA A 719 11.772 2.828 2.201 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.285 1.614 0.097 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.921 1.534 1.238 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.853 2.642 -0.153 1.00 0.28 H new ATOM 1470 N TRP A 720 11.418 4.962 -0.298 1.00 0.26 N ATOM 1471 CA TRP A 720 12.177 5.823 -1.201 1.00 0.28 C ATOM 1472 C TRP A 720 12.800 7.011 -0.470 1.00 0.33 C ATOM 1473 O TRP A 720 13.868 7.484 -0.850 1.00 0.36 O ATOM 1474 CB TRP A 720 11.300 6.326 -2.353 1.00 0.29 C ATOM 1475 CG TRP A 720 10.802 5.234 -3.256 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.434 4.057 -3.549 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.578 5.229 -4.006 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.672 3.317 -4.420 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.532 4.014 -4.719 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.513 6.127 -4.144 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.469 3.677 -5.551 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.460 5.791 -4.972 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.443 4.576 -5.667 1.00 0.45 C ATOM 0 H TRP A 720 10.405 5.029 -0.395 1.00 0.26 H new ATOM 0 HA TRP A 720 12.984 5.214 -1.608 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.445 6.861 -1.940 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.869 7.043 -2.945 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.392 3.754 -3.153 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.916 2.396 -4.785 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.515 7.067 -3.612 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.454 2.739 -6.086 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.635 6.478 -5.085 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.605 4.343 -6.307 1.00 0.45 H new ATOM 1494 N ALA A 721 12.132 7.507 0.562 1.00 0.39 N ATOM 1495 CA ALA A 721 12.624 8.676 1.283 1.00 0.49 C ATOM 1496 C ALA A 721 13.801 8.343 2.194 1.00 0.57 C ATOM 1497 O ALA A 721 14.736 9.135 2.315 1.00 0.64 O ATOM 1498 CB ALA A 721 11.507 9.317 2.089 1.00 0.58 C ATOM 0 H ALA A 721 11.256 7.124 0.917 1.00 0.39 H new ATOM 0 HA ALA A 721 12.980 9.383 0.534 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.894 10.187 2.619 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.706 9.628 1.418 1.00 0.58 H new ATOM 0 HB3 ALA A 721 11.118 8.597 2.809 1.00 0.58 H new ATOM 1504 N GLN A 722 13.760 7.176 2.829 1.00 0.64 N ATOM 1505 CA GLN A 722 14.760 6.828 3.832 1.00 0.84 C ATOM 1506 C GLN A 722 16.133 6.600 3.204 1.00 0.87 C ATOM 1507 O GLN A 722 17.064 7.348 3.493 1.00 1.25 O ATOM 1508 CB GLN A 722 14.306 5.578 4.592 1.00 1.18 C ATOM 1509 CG GLN A 722 15.267 5.121 5.672 1.00 1.44 C ATOM 1510 CD GLN A 722 14.734 3.941 6.456 1.00 1.91 C ATOM 1511 OE1 GLN A 722 14.976 2.787 6.106 1.00 2.38 O ATOM 1512 NE2 GLN A 722 14.000 4.221 7.522 1.00 2.33 N ATOM 0 H GLN A 722 13.051 6.460 2.669 1.00 0.64 H new ATOM 0 HA GLN A 722 14.855 7.664 4.525 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.335 5.776 5.046 1.00 1.18 H new ATOM 0 HB3 GLN A 722 14.165 4.765 3.880 1.00 1.18 H new ATOM 0 HG2 GLN A 722 16.220 4.851 5.216 1.00 1.44 H new ATOM 0 HG3 GLN A 722 15.463 5.948 6.354 1.00 1.44 H new ATOM 0 HE21 GLN A 722 13.823 5.192 7.778 1.00 2.33 H new ATOM 0 HE22 GLN A 722 13.612 3.465 8.087 1.00 2.33 H new ATOM 1521 N MET A 723 16.218 5.603 2.314 1.00 0.99 N ATOM 1522 CA MET A 723 17.462 5.246 1.603 1.00 1.31 C ATOM 1523 C MET A 723 18.724 5.536 2.421 1.00 1.98 C ATOM 1524 O MET A 723 19.614 6.259 1.967 1.00 2.42 O ATOM 1525 CB MET A 723 17.547 5.980 0.261 1.00 1.25 C ATOM 1526 CG MET A 723 16.449 5.607 -0.723 1.00 0.96 C ATOM 1527 SD MET A 723 16.692 6.351 -2.349 1.00 1.60 S ATOM 1528 CE MET A 723 16.765 8.089 -1.925 1.00 2.19 C ATOM 0 H MET A 723 15.423 5.015 2.062 1.00 0.99 H new ATOM 0 HA MET A 723 17.418 4.169 1.438 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.507 7.054 0.444 1.00 1.25 H new ATOM 0 HB3 MET A 723 18.515 5.770 -0.195 1.00 1.25 H new ATOM 0 HG2 MET A 723 16.411 4.523 -0.826 1.00 0.96 H new ATOM 0 HG3 MET A 723 15.485 5.923 -0.323 1.00 0.96 H new ATOM 0 HE1 MET A 723 16.305 8.677 -2.719 1.00 2.19 H new ATOM 0 HE2 MET A 723 16.229 8.258 -0.991 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.806 8.391 -1.807 1.00 2.19 H new ATOM 1538 N GLU A 724 18.797 4.985 3.623 1.00 2.33 N ATOM 1539 CA GLU A 724 19.943 5.225 4.490 1.00 3.03 C ATOM 1540 C GLU A 724 20.290 3.981 5.297 1.00 3.35 C ATOM 1541 O GLU A 724 21.248 3.974 6.070 1.00 3.82 O ATOM 1542 CB GLU A 724 19.658 6.391 5.439 1.00 3.31 C ATOM 1543 CG GLU A 724 18.658 6.055 6.534 1.00 3.60 C ATOM 1544 CD GLU A 724 18.379 7.223 7.452 1.00 4.24 C ATOM 1545 OE1 GLU A 724 17.260 7.769 7.399 1.00 4.88 O ATOM 1546 OE2 GLU A 724 19.275 7.600 8.236 1.00 4.47 O ATOM 0 H GLU A 724 18.083 4.373 4.019 1.00 2.33 H new ATOM 0 HA GLU A 724 20.794 5.476 3.856 1.00 3.03 H new ATOM 0 HB2 GLU A 724 20.593 6.711 5.898 1.00 3.31 H new ATOM 0 HB3 GLU A 724 19.281 7.235 4.861 1.00 3.31 H new ATOM 0 HG2 GLU A 724 17.724 5.726 6.078 1.00 3.60 H new ATOM 0 HG3 GLU A 724 19.037 5.219 7.122 1.00 3.60 H new ATOM 1553 N GLU A 725 19.515 2.930 5.113 1.00 3.48 N ATOM 1554 CA GLU A 725 19.701 1.710 5.873 1.00 4.01 C ATOM 1555 C GLU A 725 20.314 0.637 4.989 1.00 4.63 C ATOM 1556 O GLU A 725 21.529 0.400 5.096 1.00 5.05 O ATOM 1557 CB GLU A 725 18.368 1.224 6.444 1.00 4.09 C ATOM 1558 CG GLU A 725 18.506 0.012 7.350 1.00 4.80 C ATOM 1559 CD GLU A 725 17.169 -0.586 7.719 1.00 5.11 C ATOM 1560 OE1 GLU A 725 16.594 -1.319 6.885 1.00 5.31 O ATOM 1561 OE2 GLU A 725 16.685 -0.327 8.839 1.00 5.52 O ATOM 1562 OXT GLU A 725 19.577 0.044 4.176 1.00 5.02 O ATOM 0 H GLU A 725 18.748 2.897 4.441 1.00 3.48 H new ATOM 0 HA GLU A 725 20.377 1.916 6.703 1.00 4.01 H new ATOM 0 HB2 GLU A 725 17.903 2.036 7.004 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.696 0.979 5.621 1.00 4.09 H new ATOM 0 HG2 GLU A 725 19.114 -0.743 6.852 1.00 4.80 H new ATOM 0 HG3 GLU A 725 19.036 0.299 8.258 1.00 4.80 H new TER 1569 GLU A 725