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 631 CYS SG : rot 172:sc= 1.38 USER MOD Set 1.2: A 704 MET CE :methyl 180:sc= -0.0286 (180deg=0) USER MOD Set 2.1: A 701 MET CE :methyl 155:sc= -0.157 (180deg=-0.866) USER MOD Set 2.2: A 713 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 693 TYR OH : rot 15:sc= 0.879 USER MOD Set 3.2: A 715 LYS NZ :NH3+ -154:sc= 1.01 (180deg=-0.123) USER MOD Set 4.1: A 665 TYR OH : rot 7:sc= 1.65 USER MOD Set 4.2: A 705 LYS NZ :NH3+ 160:sc= 1.16 (180deg=-0.668) USER MOD Set 5.1: A 641 TYR OH : rot -12:sc= -3.41! USER MOD Set 5.2: A 643 THR OG1 : rot -47:sc= -0.442! USER MOD Set 5.3: A 648 THR OG1 : rot 55:sc= 1.19 USER MOD Set 5.4: A 710 ASN : amide:sc= -0.218 X(o=-4.3,f=-4.3) USER MOD Set 5.5: A 714 GLN : amide:sc= -1.43! C(o=-4.3!,f=-4.4!) USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 625 HIS : no HE2:sc= -0.128 K(o=-0.13,f=-2) USER MOD Single : A 626 MET CE :methyl -141:sc= -0.198 (180deg=-0.921) USER MOD Single : A 627 SER OG : rot 180:sc= 0 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=-0.003) USER MOD Single : A 642 ASN : amide:sc= -0.291 K(o=-0.29,f=-3!) USER MOD Single : A 647 MET CE :methyl 149:sc= 0 (180deg=-0.643) USER MOD Single : A 650 CYS SG : rot 180:sc= 0.157 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 MET CE :methyl -132:sc=-0.000744 (180deg=-0.609) USER MOD Single : A 660 GLN :FLIP amide:sc= -0.334 F(o=-2.3!,f=-0.33) USER MOD Single : A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 667 MET CE :methyl 166:sc= -0.327 (180deg=-0.784) USER MOD Single : A 674 MET CE :methyl 178:sc= -0.744 (180deg=-0.758) USER MOD Single : A 677 THR OG1 : rot 180:sc= 0 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0364) USER MOD Single : A 687 GLN : amide:sc= 0.323 X(o=0.32,f=-0.031) USER MOD Single : A 689 SER OG : rot 58:sc= -0.54 USER MOD Single : A 694 THR OG1 : rot -79:sc= 0.886 USER MOD Single : A 695 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 711 GLN : amide:sc= -0.117 K(o=-0.12,f=-4.1!) USER MOD Single : A 712 TYR OH : rot 180:sc= -0.0107 USER MOD Single : A 722 GLN :FLIP amide:sc= -0.0269 F(o=-1.5,f=-0.027) USER MOD Single : A 723 MET CE :methyl 132:sc= -0.579 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -24.145 -1.316 7.443 1.00 15.53 N ATOM 2 CA GLY A 623 -23.460 -2.377 8.220 1.00 15.09 C ATOM 3 C GLY A 623 -23.186 -1.938 9.639 1.00 14.39 C ATOM 4 O GLY A 623 -23.430 -0.782 9.988 1.00 14.22 O ATOM 0 HA2 GLY A 623 -24.075 -3.277 8.229 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -22.521 -2.638 7.732 1.00 15.09 H new ATOM 10 N SER A 624 -22.668 -2.838 10.458 1.00 14.14 N ATOM 11 CA SER A 624 -22.403 -2.518 11.847 1.00 13.65 C ATOM 12 C SER A 624 -20.972 -2.882 12.237 1.00 12.93 C ATOM 13 O SER A 624 -20.340 -2.164 13.011 1.00 12.90 O ATOM 14 CB SER A 624 -23.405 -3.233 12.758 1.00 13.94 C ATOM 15 OG SER A 624 -23.402 -2.679 14.066 1.00 14.35 O ATOM 0 H SER A 624 -22.424 -3.790 10.186 1.00 14.14 H new ATOM 0 HA SER A 624 -22.519 -1.441 11.972 1.00 13.65 H new ATOM 0 HB2 SER A 624 -24.405 -3.158 12.331 1.00 13.94 H new ATOM 0 HB3 SER A 624 -23.160 -4.294 12.810 1.00 13.94 H new ATOM 0 HG SER A 624 -24.052 -3.154 14.624 1.00 14.35 H new ATOM 21 N HIS A 625 -20.436 -3.971 11.684 1.00 12.51 N ATOM 22 CA HIS A 625 -19.090 -4.414 12.062 1.00 11.96 C ATOM 23 C HIS A 625 -18.011 -3.683 11.258 1.00 11.32 C ATOM 24 O HIS A 625 -16.999 -4.271 10.869 1.00 11.18 O ATOM 25 CB HIS A 625 -18.929 -5.948 11.953 1.00 11.96 C ATOM 26 CG HIS A 625 -19.031 -6.529 10.568 1.00 12.45 C ATOM 27 ND1 HIS A 625 -18.001 -6.484 9.651 1.00 12.80 N ATOM 28 CD2 HIS A 625 -20.034 -7.211 9.966 1.00 12.83 C ATOM 29 CE1 HIS A 625 -18.367 -7.109 8.549 1.00 13.34 C ATOM 30 NE2 HIS A 625 -19.594 -7.560 8.714 1.00 13.37 N ATOM 0 H HIS A 625 -20.900 -4.553 10.987 1.00 12.51 H new ATOM 0 HA HIS A 625 -18.956 -4.152 13.112 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -17.959 -6.221 12.369 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -19.688 -6.418 12.579 1.00 11.96 H new ATOM 0 HD1 HIS A 625 -17.097 -6.037 9.802 1.00 12.80 H new ATOM 0 HD2 HIS A 625 -21.000 -7.438 10.392 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -17.763 -7.231 7.662 1.00 13.34 H new ATOM 39 N MET A 626 -18.242 -2.391 11.027 1.00 11.11 N ATOM 40 CA MET A 626 -17.261 -1.505 10.401 1.00 10.60 C ATOM 41 C MET A 626 -16.938 -1.927 8.972 1.00 9.72 C ATOM 42 O MET A 626 -15.821 -2.350 8.666 1.00 9.78 O ATOM 43 CB MET A 626 -15.987 -1.433 11.248 1.00 11.28 C ATOM 44 CG MET A 626 -16.221 -0.831 12.626 1.00 11.91 C ATOM 45 SD MET A 626 -14.752 -0.858 13.673 1.00 12.79 S ATOM 46 CE MET A 626 -14.453 -2.621 13.794 1.00 13.30 C ATOM 0 H MET A 626 -19.118 -1.928 11.270 1.00 11.11 H new ATOM 0 HA MET A 626 -17.705 -0.511 10.349 1.00 10.60 H new ATOM 0 HB2 MET A 626 -15.576 -2.436 11.361 1.00 11.28 H new ATOM 0 HB3 MET A 626 -15.240 -0.840 10.721 1.00 11.28 H new ATOM 0 HG2 MET A 626 -16.559 0.199 12.513 1.00 11.91 H new ATOM 0 HG3 MET A 626 -17.023 -1.377 13.122 1.00 11.91 H new ATOM 0 HE1 MET A 626 -14.131 -2.867 14.806 1.00 13.30 H new ATOM 0 HE2 MET A 626 -15.371 -3.162 13.563 1.00 13.30 H new ATOM 0 HE3 MET A 626 -13.675 -2.908 13.086 1.00 13.30 H new ATOM 56 N SER A 627 -17.928 -1.810 8.106 1.00 9.08 N ATOM 57 CA SER A 627 -17.744 -2.056 6.690 1.00 8.35 C ATOM 58 C SER A 627 -17.434 -0.749 5.974 1.00 7.32 C ATOM 59 O SER A 627 -17.987 0.298 6.321 1.00 7.21 O ATOM 60 CB SER A 627 -19.001 -2.693 6.095 1.00 8.70 C ATOM 61 OG SER A 627 -19.290 -3.932 6.719 1.00 9.26 O ATOM 0 H SER A 627 -18.878 -1.543 8.364 1.00 9.08 H new ATOM 0 HA SER A 627 -16.908 -2.743 6.558 1.00 8.35 H new ATOM 0 HB2 SER A 627 -19.847 -2.016 6.215 1.00 8.70 H new ATOM 0 HB3 SER A 627 -18.863 -2.845 5.024 1.00 8.70 H new ATOM 0 HG SER A 627 -20.099 -4.318 6.322 1.00 9.26 H new ATOM 67 N PRO A 628 -16.531 -0.786 4.980 1.00 6.76 N ATOM 68 CA PRO A 628 -16.152 0.400 4.208 1.00 5.93 C ATOM 69 C PRO A 628 -17.249 0.843 3.240 1.00 5.48 C ATOM 70 O PRO A 628 -17.142 0.657 2.026 1.00 5.24 O ATOM 71 CB PRO A 628 -14.909 -0.062 3.444 1.00 5.90 C ATOM 72 CG PRO A 628 -15.078 -1.533 3.301 1.00 6.58 C ATOM 73 CD PRO A 628 -15.798 -1.989 4.541 1.00 7.14 C ATOM 0 HA PRO A 628 -15.979 1.266 4.846 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -14.839 0.425 2.471 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -13.997 0.181 3.989 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -15.651 -1.775 2.406 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -14.112 -2.029 3.205 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -16.476 -2.816 4.330 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -15.101 -2.335 5.305 1.00 7.14 H new ATOM 81 N ASP A 629 -18.316 1.404 3.789 1.00 5.68 N ATOM 82 CA ASP A 629 -19.399 1.949 2.979 1.00 5.52 C ATOM 83 C ASP A 629 -19.010 3.326 2.459 1.00 4.87 C ATOM 84 O ASP A 629 -19.404 3.725 1.364 1.00 4.76 O ATOM 85 CB ASP A 629 -20.703 2.032 3.787 1.00 6.23 C ATOM 86 CG ASP A 629 -20.619 3.007 4.945 1.00 6.68 C ATOM 87 OD1 ASP A 629 -21.096 4.153 4.805 1.00 7.07 O ATOM 88 OD2 ASP A 629 -20.080 2.629 6.007 1.00 6.91 O ATOM 0 H ASP A 629 -18.457 1.495 4.795 1.00 5.68 H new ATOM 0 HA ASP A 629 -19.570 1.282 2.134 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -21.516 2.331 3.125 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -20.951 1.042 4.170 1.00 6.23 H new ATOM 93 N ARG A 630 -18.217 4.035 3.247 1.00 4.79 N ATOM 94 CA ARG A 630 -17.692 5.329 2.855 1.00 4.57 C ATOM 95 C ARG A 630 -16.223 5.177 2.477 1.00 4.10 C ATOM 96 O ARG A 630 -15.324 5.622 3.189 1.00 4.34 O ATOM 97 CB ARG A 630 -17.856 6.344 3.996 1.00 5.38 C ATOM 98 CG ARG A 630 -17.280 7.718 3.685 1.00 5.89 C ATOM 99 CD ARG A 630 -17.334 8.636 4.891 1.00 6.81 C ATOM 100 NE ARG A 630 -16.334 9.698 4.801 1.00 7.37 N ATOM 101 CZ ARG A 630 -16.367 10.824 5.507 1.00 8.27 C ATOM 102 NH1 ARG A 630 -17.388 11.078 6.316 1.00 8.70 N ATOM 103 NH2 ARG A 630 -15.380 11.703 5.391 1.00 8.95 N ATOM 0 H ARG A 630 -17.921 3.729 4.174 1.00 4.79 H new ATOM 0 HA ARG A 630 -18.248 5.701 1.995 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -18.916 6.449 4.227 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -17.372 5.952 4.891 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -16.247 7.613 3.354 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -17.835 8.167 2.861 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -18.328 9.076 4.970 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -17.169 8.056 5.799 1.00 6.81 H new ATOM 0 HE ARG A 630 -15.558 9.566 4.152 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -18.152 10.408 6.398 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -17.408 11.943 6.855 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -14.600 11.514 4.762 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -15.401 12.568 5.931 1.00 8.95 H new ATOM 117 N CYS A 631 -15.986 4.523 1.357 1.00 3.77 N ATOM 118 CA CYS A 631 -14.636 4.281 0.885 1.00 3.49 C ATOM 119 C CYS A 631 -14.289 5.239 -0.249 1.00 3.17 C ATOM 120 O CYS A 631 -13.841 4.827 -1.319 1.00 3.32 O ATOM 121 CB CYS A 631 -14.495 2.826 0.437 1.00 3.72 C ATOM 122 SG CYS A 631 -15.804 2.266 -0.679 1.00 4.38 S ATOM 0 H CYS A 631 -16.717 4.147 0.753 1.00 3.77 H new ATOM 0 HA CYS A 631 -13.936 4.460 1.701 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -13.532 2.701 -0.058 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -14.485 2.185 1.319 1.00 3.72 H new ATOM 0 HG CYS A 631 -15.510 1.084 -1.135 1.00 4.38 H new ATOM 128 N GLN A 632 -14.506 6.524 -0.009 1.00 3.10 N ATOM 129 CA GLN A 632 -14.262 7.543 -1.020 1.00 3.01 C ATOM 130 C GLN A 632 -13.165 8.511 -0.583 1.00 2.97 C ATOM 131 O GLN A 632 -12.672 9.305 -1.385 1.00 2.93 O ATOM 132 CB GLN A 632 -15.547 8.319 -1.316 1.00 3.40 C ATOM 133 CG GLN A 632 -16.123 9.034 -0.102 1.00 3.70 C ATOM 134 CD GLN A 632 -17.247 9.982 -0.464 1.00 4.22 C ATOM 135 OE1 GLN A 632 -17.013 11.158 -0.750 1.00 4.67 O ATOM 136 NE2 GLN A 632 -18.471 9.480 -0.459 1.00 4.57 N ATOM 0 H GLN A 632 -14.852 6.887 0.880 1.00 3.10 H new ATOM 0 HA GLN A 632 -13.930 7.035 -1.925 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -15.346 9.052 -2.097 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -16.295 7.630 -1.710 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -16.491 8.295 0.610 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -15.330 9.590 0.398 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -18.620 8.501 -0.216 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -19.266 10.072 -0.698 1.00 4.57 H new ATOM 145 N ASP A 633 -12.770 8.432 0.681 1.00 3.23 N ATOM 146 CA ASP A 633 -11.821 9.387 1.237 1.00 3.48 C ATOM 147 C ASP A 633 -10.400 9.070 0.799 1.00 3.00 C ATOM 148 O ASP A 633 -9.594 9.977 0.597 1.00 3.13 O ATOM 149 CB ASP A 633 -11.894 9.414 2.767 1.00 4.11 C ATOM 150 CG ASP A 633 -13.222 9.929 3.282 1.00 4.69 C ATOM 151 OD1 ASP A 633 -14.179 9.130 3.392 1.00 5.22 O ATOM 152 OD2 ASP A 633 -13.318 11.136 3.578 1.00 4.94 O ATOM 0 H ASP A 633 -13.090 7.720 1.338 1.00 3.23 H new ATOM 0 HA ASP A 633 -12.095 10.370 0.855 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -11.725 8.408 3.152 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -11.091 10.042 3.154 1.00 4.11 H new ATOM 157 N TRP A 634 -10.101 7.785 0.623 1.00 2.60 N ATOM 158 CA TRP A 634 -8.743 7.366 0.298 1.00 2.30 C ATOM 159 C TRP A 634 -8.320 7.884 -1.075 1.00 1.84 C ATOM 160 O TRP A 634 -7.138 8.145 -1.307 1.00 1.69 O ATOM 161 CB TRP A 634 -8.578 5.833 0.391 1.00 2.47 C ATOM 162 CG TRP A 634 -9.442 5.028 -0.543 1.00 2.40 C ATOM 163 CD1 TRP A 634 -10.655 4.470 -0.260 1.00 2.72 C ATOM 164 CD2 TRP A 634 -9.142 4.660 -1.900 1.00 2.37 C ATOM 165 NE1 TRP A 634 -11.135 3.796 -1.354 1.00 2.82 N ATOM 166 CE2 TRP A 634 -10.227 3.896 -2.374 1.00 2.72 C ATOM 167 CE3 TRP A 634 -8.070 4.908 -2.763 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -10.268 3.377 -3.667 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -8.113 4.394 -4.045 1.00 2.88 C ATOM 170 CH2 TRP A 634 -9.205 3.638 -4.487 1.00 3.28 C ATOM 0 H TRP A 634 -10.775 7.023 0.699 1.00 2.60 H new ATOM 0 HA TRP A 634 -8.081 7.808 1.042 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -7.535 5.585 0.196 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -8.793 5.524 1.414 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -11.164 4.548 0.689 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -12.025 3.300 -1.400 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -7.223 5.491 -2.433 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -11.108 2.791 -4.009 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -7.289 4.579 -4.718 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -9.208 3.253 -5.496 1.00 3.28 H new ATOM 181 N LEU A 635 -9.288 8.070 -1.970 1.00 1.89 N ATOM 182 CA LEU A 635 -8.998 8.583 -3.307 1.00 2.05 C ATOM 183 C LEU A 635 -8.414 9.982 -3.212 1.00 2.36 C ATOM 184 O LEU A 635 -7.439 10.313 -3.889 1.00 2.50 O ATOM 185 CB LEU A 635 -10.252 8.620 -4.188 1.00 2.45 C ATOM 186 CG LEU A 635 -10.862 7.262 -4.541 1.00 2.54 C ATOM 187 CD1 LEU A 635 -11.759 6.762 -3.424 1.00 2.83 C ATOM 188 CD2 LEU A 635 -11.637 7.354 -5.844 1.00 3.12 C ATOM 0 H LEU A 635 -10.274 7.875 -1.795 1.00 1.89 H new ATOM 0 HA LEU A 635 -8.278 7.906 -3.766 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -11.011 9.217 -3.681 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -10.006 9.138 -5.115 1.00 2.45 H new ATOM 0 HG LEU A 635 -10.049 6.547 -4.667 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -12.180 5.795 -3.700 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -11.176 6.656 -2.509 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -12.567 7.475 -3.259 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -12.065 6.380 -6.082 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -12.437 8.087 -5.740 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -10.966 7.661 -6.646 1.00 3.12 H new ATOM 200 N GLU A 636 -9.015 10.791 -2.357 1.00 2.71 N ATOM 201 CA GLU A 636 -8.561 12.152 -2.144 1.00 3.25 C ATOM 202 C GLU A 636 -7.299 12.158 -1.296 1.00 3.07 C ATOM 203 O GLU A 636 -6.358 12.900 -1.570 1.00 3.33 O ATOM 204 CB GLU A 636 -9.659 12.971 -1.473 1.00 3.85 C ATOM 205 CG GLU A 636 -10.926 13.071 -2.303 1.00 4.37 C ATOM 206 CD GLU A 636 -10.687 13.725 -3.647 1.00 4.88 C ATOM 207 OE1 GLU A 636 -10.325 13.011 -4.604 1.00 5.12 O ATOM 208 OE2 GLU A 636 -10.860 14.957 -3.757 1.00 5.37 O ATOM 0 H GLU A 636 -9.824 10.525 -1.796 1.00 2.71 H new ATOM 0 HA GLU A 636 -8.331 12.603 -3.109 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -9.899 12.523 -0.509 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -9.284 13.975 -1.273 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -11.336 12.073 -2.456 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -11.673 13.642 -1.752 1.00 4.37 H new ATOM 215 N ALA A 637 -7.282 11.301 -0.282 1.00 2.79 N ATOM 216 CA ALA A 637 -6.136 11.173 0.608 1.00 2.78 C ATOM 217 C ALA A 637 -4.861 10.898 -0.174 1.00 2.28 C ATOM 218 O ALA A 637 -3.850 11.565 0.019 1.00 2.44 O ATOM 219 CB ALA A 637 -6.375 10.067 1.620 1.00 2.89 C ATOM 0 H ALA A 637 -8.058 10.679 -0.055 1.00 2.79 H new ATOM 0 HA ALA A 637 -6.014 12.119 1.136 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -5.510 9.983 2.278 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -7.260 10.300 2.212 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -6.526 9.122 1.098 1.00 2.89 H new ATOM 225 N LEU A 638 -4.927 9.930 -1.084 1.00 1.83 N ATOM 226 CA LEU A 638 -3.763 9.537 -1.868 1.00 1.65 C ATOM 227 C LEU A 638 -3.375 10.611 -2.886 1.00 2.09 C ATOM 228 O LEU A 638 -2.298 10.558 -3.473 1.00 2.25 O ATOM 229 CB LEU A 638 -4.021 8.205 -2.579 1.00 1.61 C ATOM 230 CG LEU A 638 -4.339 7.021 -1.660 1.00 1.61 C ATOM 231 CD1 LEU A 638 -4.466 5.744 -2.470 1.00 2.00 C ATOM 232 CD2 LEU A 638 -3.278 6.868 -0.579 1.00 1.99 C ATOM 0 H LEU A 638 -5.775 9.404 -1.296 1.00 1.83 H new ATOM 0 HA LEU A 638 -2.929 9.418 -1.176 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -4.851 8.338 -3.273 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -3.144 7.955 -3.175 1.00 1.61 H new ATOM 0 HG LEU A 638 -5.292 7.217 -1.168 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -4.692 4.911 -1.804 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -5.269 5.854 -3.199 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -3.528 5.548 -2.990 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -3.528 6.020 0.059 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -2.307 6.698 -1.044 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -3.238 7.776 0.023 1.00 1.99 H new ATOM 244 N HIS A 639 -4.246 11.589 -3.089 1.00 2.51 N ATOM 245 CA HIS A 639 -3.978 12.651 -4.051 1.00 3.15 C ATOM 246 C HIS A 639 -3.191 13.787 -3.399 1.00 3.32 C ATOM 247 O HIS A 639 -2.490 14.539 -4.074 1.00 3.71 O ATOM 248 CB HIS A 639 -5.291 13.179 -4.639 1.00 3.69 C ATOM 249 CG HIS A 639 -5.106 14.177 -5.740 1.00 4.41 C ATOM 250 ND1 HIS A 639 -5.838 15.341 -5.833 1.00 4.97 N ATOM 251 CD2 HIS A 639 -4.272 14.175 -6.807 1.00 4.95 C ATOM 252 CE1 HIS A 639 -5.461 16.009 -6.907 1.00 5.62 C ATOM 253 NE2 HIS A 639 -4.514 15.324 -7.511 1.00 5.61 N ATOM 0 H HIS A 639 -5.140 11.670 -2.604 1.00 2.51 H new ATOM 0 HA HIS A 639 -3.374 12.238 -4.859 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -5.872 12.338 -5.018 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -5.876 13.637 -3.842 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -3.551 13.410 -7.056 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -5.862 16.957 -7.234 1.00 5.62 H new ATOM 0 HE2 HIS A 639 -4.036 15.604 -8.367 1.00 5.61 H new ATOM 262 N TRP A 640 -3.315 13.903 -2.086 1.00 3.17 N ATOM 263 CA TRP A 640 -2.614 14.938 -1.329 1.00 3.45 C ATOM 264 C TRP A 640 -1.531 14.306 -0.460 1.00 2.97 C ATOM 265 O TRP A 640 -0.928 14.966 0.386 1.00 3.21 O ATOM 266 CB TRP A 640 -3.597 15.705 -0.436 1.00 3.97 C ATOM 267 CG TRP A 640 -4.695 16.407 -1.180 1.00 4.43 C ATOM 268 CD1 TRP A 640 -5.831 15.842 -1.684 1.00 4.57 C ATOM 269 CD2 TRP A 640 -4.775 17.806 -1.487 1.00 5.16 C ATOM 270 NE1 TRP A 640 -6.604 16.796 -2.296 1.00 5.35 N ATOM 271 CE2 TRP A 640 -5.979 18.010 -2.187 1.00 5.75 C ATOM 272 CE3 TRP A 640 -3.944 18.907 -1.244 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -6.374 19.264 -2.641 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -4.340 20.151 -1.697 1.00 6.48 C ATOM 275 CH2 TRP A 640 -5.544 20.319 -2.388 1.00 7.07 C ATOM 0 H TRP A 640 -3.898 13.290 -1.516 1.00 3.17 H new ATOM 0 HA TRP A 640 -2.157 15.631 -2.035 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -4.044 15.008 0.273 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -3.042 16.440 0.146 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -6.085 14.795 -1.611 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -7.498 16.629 -2.757 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -3.012 18.786 -0.713 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -7.303 19.399 -3.174 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -3.709 21.008 -1.514 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -5.824 21.305 -2.729 1.00 7.07 H new ATOM 286 N TYR A 641 -1.292 13.025 -0.682 1.00 2.48 N ATOM 287 CA TYR A 641 -0.495 12.221 0.234 1.00 2.29 C ATOM 288 C TYR A 641 1.002 12.458 0.058 1.00 2.37 C ATOM 289 O TYR A 641 1.525 12.429 -1.060 1.00 2.80 O ATOM 290 CB TYR A 641 -0.818 10.740 0.028 1.00 2.57 C ATOM 291 CG TYR A 641 -0.558 9.882 1.239 1.00 2.91 C ATOM 292 CD1 TYR A 641 -1.431 9.875 2.318 1.00 3.42 C ATOM 293 CD2 TYR A 641 0.573 9.081 1.303 1.00 3.41 C ATOM 294 CE1 TYR A 641 -1.181 9.093 3.428 1.00 4.14 C ATOM 295 CE2 TYR A 641 0.826 8.297 2.405 1.00 4.25 C ATOM 296 CZ TYR A 641 -0.110 8.299 3.471 1.00 4.51 C ATOM 297 OH TYR A 641 0.210 7.529 4.563 1.00 5.50 O ATOM 0 H TYR A 641 -1.640 12.515 -1.494 1.00 2.48 H new ATOM 0 HA TYR A 641 -0.752 12.522 1.249 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -1.866 10.643 -0.255 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -0.227 10.362 -0.806 1.00 2.57 H new ATOM 0 HD1 TYR A 641 -2.318 10.490 2.289 1.00 3.42 H new ATOM 0 HD2 TYR A 641 1.266 9.073 0.475 1.00 3.41 H new ATOM 0 HE1 TYR A 641 -1.858 9.124 4.269 1.00 4.14 H new ATOM 0 HE2 TYR A 641 1.719 7.692 2.457 1.00 4.25 H new ATOM 0 HH TYR A 641 -0.338 7.803 5.328 1.00 5.50 H new ATOM 307 N ASN A 642 1.673 12.707 1.176 1.00 2.55 N ATOM 308 CA ASN A 642 3.128 12.823 1.216 1.00 2.95 C ATOM 309 C ASN A 642 3.589 12.784 2.669 1.00 2.85 C ATOM 310 O ASN A 642 3.730 13.822 3.320 1.00 3.27 O ATOM 311 CB ASN A 642 3.604 14.116 0.547 1.00 3.71 C ATOM 312 CG ASN A 642 5.112 14.136 0.313 1.00 4.38 C ATOM 313 OD1 ASN A 642 5.883 13.524 1.054 1.00 4.86 O ATOM 314 ND2 ASN A 642 5.544 14.837 -0.723 1.00 4.90 N ATOM 0 H ASN A 642 1.224 12.835 2.083 1.00 2.55 H new ATOM 0 HA ASN A 642 3.561 11.989 0.664 1.00 2.95 H new ATOM 0 HB2 ASN A 642 3.091 14.237 -0.407 1.00 3.71 H new ATOM 0 HB3 ASN A 642 3.325 14.966 1.169 1.00 3.71 H new ATOM 0 HD21 ASN A 642 6.542 14.882 -0.928 1.00 4.90 H new ATOM 0 HD22 ASN A 642 4.879 15.332 -1.317 1.00 4.90 H new ATOM 321 N THR A 643 3.803 11.587 3.182 1.00 2.87 N ATOM 322 CA THR A 643 4.137 11.411 4.584 1.00 3.35 C ATOM 323 C THR A 643 5.607 11.034 4.774 1.00 3.70 C ATOM 324 O THR A 643 6.412 11.871 5.180 1.00 4.43 O ATOM 325 CB THR A 643 3.227 10.351 5.237 1.00 4.03 C ATOM 326 OG1 THR A 643 3.235 9.141 4.464 1.00 4.46 O ATOM 327 CG2 THR A 643 1.802 10.868 5.358 1.00 4.33 C ATOM 0 H THR A 643 3.751 10.720 2.648 1.00 2.87 H new ATOM 0 HA THR A 643 3.971 12.369 5.077 1.00 3.35 H new ATOM 0 HB THR A 643 3.613 10.142 6.235 1.00 4.03 H new ATOM 0 HG1 THR A 643 3.109 9.357 3.517 1.00 4.46 H new ATOM 0 HG21 THR A 643 1.176 10.105 5.821 1.00 4.33 H new ATOM 0 HG22 THR A 643 1.792 11.768 5.973 1.00 4.33 H new ATOM 0 HG23 THR A 643 1.415 11.102 4.366 1.00 4.33 H new ATOM 335 N ALA A 644 5.933 9.771 4.483 1.00 3.58 N ATOM 336 CA ALA A 644 7.297 9.242 4.568 1.00 4.14 C ATOM 337 C ALA A 644 7.777 9.088 6.014 1.00 5.22 C ATOM 338 O ALA A 644 8.180 8.002 6.425 1.00 5.98 O ATOM 339 CB ALA A 644 8.271 10.095 3.763 1.00 3.76 C ATOM 0 H ALA A 644 5.248 9.079 4.178 1.00 3.58 H new ATOM 0 HA ALA A 644 7.271 8.243 4.132 1.00 4.14 H new ATOM 0 HB1 ALA A 644 9.274 9.677 3.846 1.00 3.76 H new ATOM 0 HB2 ALA A 644 7.967 10.105 2.716 1.00 3.76 H new ATOM 0 HB3 ALA A 644 8.269 11.114 4.151 1.00 3.76 H new ATOM 345 N LEU A 645 7.741 10.166 6.782 1.00 5.58 N ATOM 346 CA LEU A 645 8.234 10.131 8.152 1.00 6.84 C ATOM 347 C LEU A 645 7.093 10.083 9.158 1.00 7.35 C ATOM 348 O LEU A 645 7.102 9.260 10.075 1.00 8.01 O ATOM 349 CB LEU A 645 9.130 11.335 8.437 1.00 7.29 C ATOM 350 CG LEU A 645 10.418 11.402 7.614 1.00 7.38 C ATOM 351 CD1 LEU A 645 11.212 12.640 7.987 1.00 7.91 C ATOM 352 CD2 LEU A 645 11.259 10.151 7.823 1.00 7.94 C ATOM 0 H LEU A 645 7.378 11.071 6.483 1.00 5.58 H new ATOM 0 HA LEU A 645 8.820 9.219 8.261 1.00 6.84 H new ATOM 0 HB2 LEU A 645 8.556 12.244 8.258 1.00 7.29 H new ATOM 0 HB3 LEU A 645 9.394 11.328 9.494 1.00 7.29 H new ATOM 0 HG LEU A 645 10.150 11.459 6.559 1.00 7.38 H new ATOM 0 HD11 LEU A 645 12.127 12.678 7.395 1.00 7.91 H new ATOM 0 HD12 LEU A 645 10.614 13.529 7.788 1.00 7.91 H new ATOM 0 HD13 LEU A 645 11.466 12.604 9.046 1.00 7.91 H new ATOM 0 HD21 LEU A 645 12.170 10.221 7.228 1.00 7.94 H new ATOM 0 HD22 LEU A 645 11.520 10.060 8.877 1.00 7.94 H new ATOM 0 HD23 LEU A 645 10.690 9.274 7.514 1.00 7.94 H new ATOM 364 N GLU A 646 6.122 10.970 8.993 1.00 7.22 N ATOM 365 CA GLU A 646 4.978 11.022 9.895 1.00 7.76 C ATOM 366 C GLU A 646 4.141 9.749 9.780 1.00 8.33 C ATOM 367 O GLU A 646 3.492 9.497 8.765 1.00 8.43 O ATOM 368 CB GLU A 646 4.128 12.270 9.616 1.00 7.59 C ATOM 369 CG GLU A 646 3.655 12.392 8.176 1.00 7.98 C ATOM 370 CD GLU A 646 2.917 13.684 7.914 1.00 8.43 C ATOM 371 OE1 GLU A 646 1.686 13.719 8.115 1.00 8.62 O ATOM 372 OE2 GLU A 646 3.561 14.677 7.511 1.00 8.80 O ATOM 0 H GLU A 646 6.102 11.663 8.245 1.00 7.22 H new ATOM 0 HA GLU A 646 5.348 11.088 10.918 1.00 7.76 H new ATOM 0 HB2 GLU A 646 3.258 12.258 10.273 1.00 7.59 H new ATOM 0 HB3 GLU A 646 4.709 13.156 9.872 1.00 7.59 H new ATOM 0 HG2 GLU A 646 4.514 12.327 7.509 1.00 7.98 H new ATOM 0 HG3 GLU A 646 3.003 11.551 7.939 1.00 7.98 H new ATOM 379 N MET A 647 4.181 8.936 10.824 1.00 8.91 N ATOM 380 CA MET A 647 3.453 7.678 10.841 1.00 9.60 C ATOM 381 C MET A 647 2.036 7.898 11.342 1.00 9.81 C ATOM 382 O MET A 647 1.804 8.040 12.545 1.00 10.24 O ATOM 383 CB MET A 647 4.161 6.658 11.731 1.00 10.34 C ATOM 384 CG MET A 647 5.548 6.275 11.246 1.00 10.82 C ATOM 385 SD MET A 647 6.359 5.106 12.354 1.00 11.51 S ATOM 386 CE MET A 647 7.936 4.907 11.531 1.00 12.08 C ATOM 0 H MET A 647 4.712 9.126 11.674 1.00 8.91 H new ATOM 0 HA MET A 647 3.417 7.291 9.823 1.00 9.60 H new ATOM 0 HB2 MET A 647 4.239 7.063 12.740 1.00 10.34 H new ATOM 0 HB3 MET A 647 3.548 5.759 11.795 1.00 10.34 H new ATOM 0 HG2 MET A 647 5.475 5.838 10.250 1.00 10.82 H new ATOM 0 HG3 MET A 647 6.160 7.172 11.156 1.00 10.82 H new ATOM 0 HE1 MET A 647 8.710 4.707 12.272 1.00 12.08 H new ATOM 0 HE2 MET A 647 7.879 4.073 10.832 1.00 12.08 H new ATOM 0 HE3 MET A 647 8.181 5.820 10.988 1.00 12.08 H new ATOM 396 N THR A 648 1.093 7.936 10.422 1.00 9.65 N ATOM 397 CA THR A 648 -0.295 8.178 10.771 1.00 9.89 C ATOM 398 C THR A 648 -1.020 6.869 11.055 1.00 10.52 C ATOM 399 O THR A 648 -1.832 6.401 10.255 1.00 10.68 O ATOM 400 CB THR A 648 -1.021 8.953 9.657 1.00 9.58 C ATOM 401 OG1 THR A 648 -0.869 8.272 8.405 1.00 9.43 O ATOM 402 CG2 THR A 648 -0.473 10.368 9.542 1.00 9.40 C ATOM 0 H THR A 648 1.262 7.802 9.425 1.00 9.65 H new ATOM 0 HA THR A 648 -0.305 8.786 11.676 1.00 9.89 H new ATOM 0 HB THR A 648 -2.080 9.008 9.911 1.00 9.58 H new ATOM 0 HG1 THR A 648 -1.180 7.347 8.496 1.00 9.43 H new ATOM 0 HG21 THR A 648 -1.000 10.899 8.749 1.00 9.40 H new ATOM 0 HG22 THR A 648 -0.617 10.892 10.487 1.00 9.40 H new ATOM 0 HG23 THR A 648 0.591 10.328 9.308 1.00 9.40 H new ATOM 410 N ASP A 649 -0.713 6.278 12.197 1.00 11.04 N ATOM 411 CA ASP A 649 -1.342 5.032 12.613 1.00 11.77 C ATOM 412 C ASP A 649 -2.488 5.323 13.576 1.00 11.96 C ATOM 413 O ASP A 649 -2.773 4.540 14.479 1.00 12.46 O ATOM 414 CB ASP A 649 -0.317 4.102 13.277 1.00 12.46 C ATOM 415 CG ASP A 649 0.804 3.682 12.343 1.00 13.07 C ATOM 416 OD1 ASP A 649 1.752 4.470 12.143 1.00 13.39 O ATOM 417 OD2 ASP A 649 0.740 2.562 11.792 1.00 13.37 O ATOM 0 H ASP A 649 -0.027 6.643 12.858 1.00 11.04 H new ATOM 0 HA ASP A 649 -1.737 4.532 11.729 1.00 11.77 H new ATOM 0 HB2 ASP A 649 0.111 4.604 14.145 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -0.828 3.212 13.644 1.00 12.46 H new ATOM 422 N CYS A 650 -3.147 6.455 13.365 1.00 11.69 N ATOM 423 CA CYS A 650 -4.237 6.892 14.232 1.00 11.94 C ATOM 424 C CYS A 650 -5.542 6.185 13.873 1.00 12.07 C ATOM 425 O CYS A 650 -6.526 6.815 13.480 1.00 12.15 O ATOM 426 CB CYS A 650 -4.398 8.412 14.130 1.00 11.96 C ATOM 427 SG CYS A 650 -4.360 9.045 12.435 1.00 12.13 S ATOM 0 H CYS A 650 -2.944 7.093 12.595 1.00 11.69 H new ATOM 0 HA CYS A 650 -3.992 6.628 15.261 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -5.342 8.699 14.593 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -3.604 8.890 14.703 1.00 11.96 H new ATOM 0 HG CYS A 650 -4.506 10.337 12.451 1.00 12.13 H new ATOM 433 N ASP A 651 -5.535 4.869 14.010 1.00 12.25 N ATOM 434 CA ASP A 651 -6.695 4.045 13.703 1.00 12.49 C ATOM 435 C ASP A 651 -6.516 2.669 14.335 1.00 12.81 C ATOM 436 O ASP A 651 -5.391 2.176 14.435 1.00 12.82 O ATOM 437 CB ASP A 651 -6.867 3.918 12.183 1.00 12.51 C ATOM 438 CG ASP A 651 -8.086 3.108 11.794 1.00 12.95 C ATOM 439 OD1 ASP A 651 -9.196 3.680 11.742 1.00 13.19 O ATOM 440 OD2 ASP A 651 -7.941 1.895 11.542 1.00 13.19 O ATOM 0 H ASP A 651 -4.726 4.341 14.337 1.00 12.25 H new ATOM 0 HA ASP A 651 -7.591 4.513 14.111 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -6.944 4.914 11.747 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -5.977 3.452 11.759 1.00 12.51 H new ATOM 445 N GLU A 652 -7.602 2.052 14.779 1.00 13.23 N ATOM 446 CA GLU A 652 -7.512 0.738 15.403 1.00 13.69 C ATOM 447 C GLU A 652 -8.341 -0.292 14.644 1.00 13.73 C ATOM 448 O GLU A 652 -8.655 -1.359 15.169 1.00 14.19 O ATOM 449 CB GLU A 652 -7.959 0.800 16.866 1.00 14.37 C ATOM 450 CG GLU A 652 -9.405 1.226 17.055 1.00 14.63 C ATOM 451 CD GLU A 652 -9.875 1.049 18.483 1.00 15.07 C ATOM 452 OE1 GLU A 652 -9.680 1.975 19.298 1.00 15.16 O ATOM 453 OE2 GLU A 652 -10.437 -0.023 18.799 1.00 15.45 O ATOM 0 H GLU A 652 -8.546 2.434 14.720 1.00 13.23 H new ATOM 0 HA GLU A 652 -6.468 0.428 15.369 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -7.818 -0.181 17.320 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -7.313 1.495 17.403 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -9.514 2.271 16.766 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -10.043 0.643 16.390 1.00 14.63 H new ATOM 460 N GLY A 653 -8.681 0.025 13.407 1.00 13.37 N ATOM 461 CA GLY A 653 -9.465 -0.885 12.603 1.00 13.46 C ATOM 462 C GLY A 653 -10.645 -0.201 11.953 1.00 12.98 C ATOM 463 O GLY A 653 -11.786 -0.368 12.388 1.00 13.22 O ATOM 0 H GLY A 653 -8.428 0.898 12.944 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -8.832 -1.324 11.832 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -9.821 -1.704 13.227 1.00 13.46 H new ATOM 467 N GLY A 654 -10.363 0.596 10.932 1.00 12.43 N ATOM 468 CA GLY A 654 -11.411 1.269 10.192 1.00 12.06 C ATOM 469 C GLY A 654 -12.293 0.308 9.420 1.00 11.36 C ATOM 470 O GLY A 654 -13.503 0.259 9.637 1.00 11.43 O ATOM 0 H GLY A 654 -9.418 0.790 10.601 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -12.026 1.844 10.884 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -10.961 1.980 9.499 1.00 12.06 H new ATOM 474 N GLU A 655 -11.695 -0.449 8.514 1.00 10.85 N ATOM 475 CA GLU A 655 -12.442 -1.403 7.720 1.00 10.24 C ATOM 476 C GLU A 655 -12.212 -2.830 8.209 1.00 9.73 C ATOM 477 O GLU A 655 -11.101 -3.363 8.152 1.00 9.57 O ATOM 478 CB GLU A 655 -12.093 -1.277 6.227 1.00 10.26 C ATOM 479 CG GLU A 655 -10.632 -1.551 5.877 1.00 10.19 C ATOM 480 CD GLU A 655 -9.705 -0.396 6.201 1.00 10.69 C ATOM 481 OE1 GLU A 655 -9.229 -0.319 7.353 1.00 10.96 O ATOM 482 OE2 GLU A 655 -9.448 0.440 5.309 1.00 10.98 O ATOM 0 H GLU A 655 -10.696 -0.419 8.313 1.00 10.85 H new ATOM 0 HA GLU A 655 -13.500 -1.172 7.841 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -12.721 -1.967 5.664 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -12.347 -0.271 5.894 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -10.298 -2.437 6.417 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -10.558 -1.778 4.814 1.00 10.19 H new ATOM 489 N TYR A 656 -13.271 -3.441 8.707 1.00 9.64 N ATOM 490 CA TYR A 656 -13.227 -4.831 9.127 1.00 9.25 C ATOM 491 C TYR A 656 -14.094 -5.652 8.181 1.00 8.16 C ATOM 492 O TYR A 656 -14.778 -6.596 8.578 1.00 8.22 O ATOM 493 CB TYR A 656 -13.704 -4.968 10.577 1.00 10.13 C ATOM 494 CG TYR A 656 -13.303 -6.273 11.234 1.00 10.38 C ATOM 495 CD1 TYR A 656 -14.266 -7.186 11.645 1.00 10.66 C ATOM 496 CD2 TYR A 656 -11.966 -6.594 11.440 1.00 10.57 C ATOM 497 CE1 TYR A 656 -13.909 -8.381 12.240 1.00 11.10 C ATOM 498 CE2 TYR A 656 -11.603 -7.788 12.036 1.00 10.97 C ATOM 499 CZ TYR A 656 -12.553 -8.661 12.449 1.00 11.23 C ATOM 500 OH TYR A 656 -12.222 -9.868 13.022 1.00 11.80 O ATOM 0 H TYR A 656 -14.179 -2.993 8.831 1.00 9.64 H new ATOM 0 HA TYR A 656 -12.202 -5.201 9.086 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -13.302 -4.140 11.161 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -14.790 -4.879 10.602 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -15.311 -6.958 11.497 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -11.199 -5.900 11.130 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -14.666 -9.090 12.540 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -10.558 -8.025 12.173 1.00 10.97 H new ATOM 0 HH TYR A 656 -11.248 -9.933 13.108 1.00 11.80 H new ATOM 510 N ASP A 657 -14.054 -5.253 6.918 1.00 7.39 N ATOM 511 CA ASP A 657 -14.854 -5.862 5.870 1.00 6.44 C ATOM 512 C ASP A 657 -14.252 -5.498 4.519 1.00 6.09 C ATOM 513 O ASP A 657 -13.570 -4.478 4.400 1.00 6.31 O ATOM 514 CB ASP A 657 -16.298 -5.360 5.959 1.00 6.14 C ATOM 515 CG ASP A 657 -17.210 -5.955 4.904 1.00 5.90 C ATOM 516 OD1 ASP A 657 -17.688 -7.091 5.100 1.00 5.94 O ATOM 517 OD2 ASP A 657 -17.449 -5.297 3.871 1.00 6.00 O ATOM 0 H ASP A 657 -13.460 -4.491 6.591 1.00 7.39 H new ATOM 0 HA ASP A 657 -14.857 -6.946 5.988 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -16.696 -5.595 6.946 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -16.304 -4.274 5.863 1.00 6.14 H new ATOM 522 N GLY A 658 -14.479 -6.330 3.521 1.00 5.88 N ATOM 523 CA GLY A 658 -13.943 -6.073 2.202 1.00 5.75 C ATOM 524 C GLY A 658 -13.553 -7.359 1.515 1.00 4.80 C ATOM 525 O GLY A 658 -14.229 -8.376 1.671 1.00 5.02 O ATOM 0 H GLY A 658 -15.029 -7.186 3.599 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -14.684 -5.546 1.601 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -13.073 -5.420 2.280 1.00 5.75 H new ATOM 529 N MET A 659 -12.464 -7.337 0.768 1.00 3.98 N ATOM 530 CA MET A 659 -11.987 -8.544 0.123 1.00 3.13 C ATOM 531 C MET A 659 -10.747 -9.061 0.840 1.00 2.86 C ATOM 532 O MET A 659 -9.625 -8.624 0.576 1.00 2.97 O ATOM 533 CB MET A 659 -11.691 -8.299 -1.360 1.00 2.88 C ATOM 534 CG MET A 659 -11.811 -9.550 -2.230 1.00 2.45 C ATOM 535 SD MET A 659 -10.646 -10.857 -1.786 1.00 2.41 S ATOM 536 CE MET A 659 -9.101 -10.122 -2.316 1.00 2.25 C ATOM 0 H MET A 659 -11.899 -6.505 0.595 1.00 3.98 H new ATOM 0 HA MET A 659 -12.771 -9.299 0.183 1.00 3.13 H new ATOM 0 HB2 MET A 659 -12.376 -7.539 -1.737 1.00 2.88 H new ATOM 0 HB3 MET A 659 -10.683 -7.896 -1.458 1.00 2.88 H new ATOM 0 HG2 MET A 659 -12.826 -9.939 -2.154 1.00 2.45 H new ATOM 0 HG3 MET A 659 -11.653 -9.273 -3.272 1.00 2.45 H new ATOM 0 HE1 MET A 659 -8.537 -10.846 -2.904 1.00 2.25 H new ATOM 0 HE2 MET A 659 -9.307 -9.242 -2.925 1.00 2.25 H new ATOM 0 HE3 MET A 659 -8.518 -9.831 -1.442 1.00 2.25 H new ATOM 546 N GLN A 660 -10.964 -9.960 1.782 1.00 3.00 N ATOM 547 CA GLN A 660 -9.869 -10.628 2.456 1.00 3.07 C ATOM 548 C GLN A 660 -10.005 -12.138 2.323 1.00 2.63 C ATOM 549 O GLN A 660 -9.599 -12.894 3.204 1.00 3.22 O ATOM 550 CB GLN A 660 -9.768 -10.206 3.933 1.00 3.99 C ATOM 551 CG GLN A 660 -11.000 -10.485 4.793 1.00 4.68 C ATOM 552 CD GLN A 660 -12.163 -9.552 4.509 1.00 5.55 C ATOM 553 OE1 GLN A 660 -13.114 -10.009 3.712 1.00 6.02 O flip ATOM 554 NE2 GLN A 660 -12.231 -8.447 5.048 1.00 6.10 N flip ATOM 0 H GLN A 660 -11.891 -10.244 2.098 1.00 3.00 H new ATOM 0 HA GLN A 660 -8.942 -10.322 1.972 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -8.914 -10.716 4.379 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -9.556 -9.137 3.972 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -11.322 -11.513 4.629 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -10.726 -10.400 5.844 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -11.477 -8.129 5.657 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -13.042 -7.849 4.886 1.00 6.10 H new ATOM 563 N ASP A 661 -10.586 -12.563 1.208 1.00 2.13 N ATOM 564 CA ASP A 661 -10.673 -13.979 0.877 1.00 2.09 C ATOM 565 C ASP A 661 -9.276 -14.496 0.587 1.00 1.75 C ATOM 566 O ASP A 661 -8.694 -15.251 1.367 1.00 1.98 O ATOM 567 CB ASP A 661 -11.573 -14.202 -0.346 1.00 2.69 C ATOM 568 CG ASP A 661 -13.035 -13.913 -0.078 1.00 3.26 C ATOM 569 OD1 ASP A 661 -13.385 -12.742 0.187 1.00 3.86 O ATOM 570 OD2 ASP A 661 -13.852 -14.857 -0.147 1.00 3.59 O ATOM 0 H ASP A 661 -11.006 -11.944 0.515 1.00 2.13 H new ATOM 0 HA ASP A 661 -11.109 -14.517 1.719 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -11.228 -13.567 -1.162 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -11.470 -15.234 -0.680 1.00 2.69 H new ATOM 575 N GLU A 662 -8.739 -14.066 -0.540 1.00 1.44 N ATOM 576 CA GLU A 662 -7.344 -14.283 -0.854 1.00 1.24 C ATOM 577 C GLU A 662 -6.716 -12.943 -1.202 1.00 1.00 C ATOM 578 O GLU A 662 -6.690 -12.543 -2.366 1.00 1.01 O ATOM 579 CB GLU A 662 -7.190 -15.259 -2.021 1.00 1.40 C ATOM 580 CG GLU A 662 -5.742 -15.514 -2.409 1.00 1.93 C ATOM 581 CD GLU A 662 -5.615 -16.391 -3.631 1.00 2.45 C ATOM 582 OE1 GLU A 662 -5.581 -17.629 -3.474 1.00 2.64 O ATOM 583 OE2 GLU A 662 -5.547 -15.846 -4.754 1.00 3.19 O ATOM 0 H GLU A 662 -9.257 -13.559 -1.258 1.00 1.44 H new ATOM 0 HA GLU A 662 -6.842 -14.721 0.009 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -7.660 -16.206 -1.757 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -7.726 -14.868 -2.885 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -5.247 -14.561 -2.597 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -5.223 -15.984 -1.573 1.00 1.93 H new ATOM 590 N PRO A 663 -6.229 -12.213 -0.194 1.00 0.86 N ATOM 591 CA PRO A 663 -5.652 -10.893 -0.410 1.00 0.68 C ATOM 592 C PRO A 663 -4.226 -10.962 -0.943 1.00 0.57 C ATOM 593 O PRO A 663 -3.334 -11.510 -0.289 1.00 0.62 O ATOM 594 CB PRO A 663 -5.681 -10.273 0.988 1.00 0.69 C ATOM 595 CG PRO A 663 -5.607 -11.428 1.937 1.00 0.86 C ATOM 596 CD PRO A 663 -6.204 -12.619 1.224 1.00 0.97 C ATOM 0 HA PRO A 663 -6.199 -10.319 -1.158 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.843 -9.591 1.133 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.592 -9.695 1.143 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -4.574 -11.627 2.224 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -6.156 -11.211 2.853 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.602 -13.515 1.372 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -7.205 -12.844 1.592 1.00 0.97 H new ATOM 604 N ARG A 664 -3.997 -10.392 -2.118 1.00 0.52 N ATOM 605 CA ARG A 664 -2.656 -10.363 -2.677 1.00 0.49 C ATOM 606 C ARG A 664 -1.827 -9.247 -2.046 1.00 0.35 C ATOM 607 O ARG A 664 -0.603 -9.306 -2.057 1.00 0.34 O ATOM 608 CB ARG A 664 -2.670 -10.228 -4.209 1.00 0.65 C ATOM 609 CG ARG A 664 -3.256 -8.924 -4.727 1.00 1.17 C ATOM 610 CD ARG A 664 -2.961 -8.726 -6.207 1.00 1.16 C ATOM 611 NE ARG A 664 -3.575 -7.503 -6.731 1.00 1.69 N ATOM 612 CZ ARG A 664 -2.937 -6.607 -7.495 1.00 2.17 C ATOM 613 NH1 ARG A 664 -1.676 -6.809 -7.861 1.00 2.20 N ATOM 614 NH2 ARG A 664 -3.571 -5.516 -7.907 1.00 3.16 N ATOM 0 H ARG A 664 -4.713 -9.950 -2.695 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.190 -11.320 -2.440 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -1.649 -10.323 -4.578 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -3.239 -11.058 -4.628 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -4.334 -8.920 -4.567 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -2.846 -8.089 -4.159 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -1.882 -8.684 -6.359 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.329 -9.585 -6.768 1.00 1.16 H new ATOM 0 HE ARG A 664 -4.552 -7.322 -6.499 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -1.186 -7.652 -7.560 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -1.198 -6.121 -8.443 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -4.544 -5.360 -7.642 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -3.086 -4.833 -8.489 1.00 3.16 H new ATOM 628 N TYR A 665 -2.491 -8.243 -1.466 1.00 0.30 N ATOM 629 CA TYR A 665 -1.777 -7.105 -0.893 1.00 0.25 C ATOM 630 C TYR A 665 -0.901 -7.528 0.279 1.00 0.22 C ATOM 631 O TYR A 665 0.155 -6.946 0.510 1.00 0.22 O ATOM 632 CB TYR A 665 -2.727 -5.959 -0.498 1.00 0.27 C ATOM 633 CG TYR A 665 -4.003 -6.351 0.218 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.097 -6.824 -0.491 1.00 0.48 C ATOM 635 CD2 TYR A 665 -4.129 -6.203 1.593 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.278 -7.144 0.145 1.00 0.62 C ATOM 637 CE2 TYR A 665 -5.310 -6.527 2.241 1.00 0.56 C ATOM 638 CZ TYR A 665 -6.381 -6.995 1.510 1.00 0.64 C ATOM 639 OH TYR A 665 -7.561 -7.319 2.144 1.00 0.81 O ATOM 0 H TYR A 665 -3.507 -8.197 -1.383 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.123 -6.719 -1.675 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.178 -5.266 0.140 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -2.998 -5.414 -1.402 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.023 -6.944 -1.562 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -3.293 -5.830 2.166 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -7.119 -7.510 -0.425 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -5.391 -6.414 3.312 1.00 0.56 H new ATOM 0 HH TYR A 665 -8.173 -7.736 1.502 1.00 0.81 H new ATOM 649 N MET A 666 -1.311 -8.571 0.985 1.00 0.25 N ATOM 650 CA MET A 666 -0.516 -9.091 2.090 1.00 0.28 C ATOM 651 C MET A 666 0.744 -9.758 1.556 1.00 0.25 C ATOM 652 O MET A 666 1.836 -9.554 2.078 1.00 0.25 O ATOM 653 CB MET A 666 -1.331 -10.084 2.924 1.00 0.37 C ATOM 654 CG MET A 666 -2.411 -9.431 3.773 1.00 0.48 C ATOM 655 SD MET A 666 -3.500 -10.638 4.550 1.00 1.17 S ATOM 656 CE MET A 666 -4.668 -9.558 5.371 1.00 1.14 C ATOM 0 H MET A 666 -2.183 -9.072 0.815 1.00 0.25 H new ATOM 0 HA MET A 666 -0.231 -8.259 2.734 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.796 -10.809 2.256 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.655 -10.638 3.575 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.943 -8.819 4.544 1.00 0.48 H new ATOM 0 HG3 MET A 666 -3.003 -8.760 3.150 1.00 0.48 H new ATOM 0 HE1 MET A 666 -5.409 -10.158 5.899 1.00 1.14 H new ATOM 0 HE2 MET A 666 -4.139 -8.925 6.084 1.00 1.14 H new ATOM 0 HE3 MET A 666 -5.167 -8.933 4.631 1.00 1.14 H new ATOM 666 N MET A 667 0.588 -10.515 0.479 1.00 0.26 N ATOM 667 CA MET A 667 1.706 -11.224 -0.128 1.00 0.27 C ATOM 668 C MET A 667 2.676 -10.231 -0.760 1.00 0.23 C ATOM 669 O MET A 667 3.897 -10.339 -0.602 1.00 0.23 O ATOM 670 CB MET A 667 1.188 -12.205 -1.184 1.00 0.34 C ATOM 671 CG MET A 667 2.278 -13.013 -1.874 1.00 0.47 C ATOM 672 SD MET A 667 1.631 -14.106 -3.156 1.00 1.20 S ATOM 673 CE MET A 667 0.924 -12.917 -4.295 1.00 1.10 C ATOM 0 H MET A 667 -0.305 -10.654 0.006 1.00 0.26 H new ATOM 0 HA MET A 667 2.234 -11.783 0.644 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.486 -12.892 -0.712 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.631 -11.649 -1.938 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.005 -12.331 -2.316 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.810 -13.607 -1.131 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.710 -13.406 -5.245 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.000 -12.517 -3.876 1.00 1.10 H new ATOM 0 HE3 MET A 667 1.631 -12.104 -4.457 1.00 1.10 H new ATOM 683 N LEU A 668 2.116 -9.249 -1.461 1.00 0.21 N ATOM 684 CA LEU A 668 2.911 -8.213 -2.112 1.00 0.19 C ATOM 685 C LEU A 668 3.612 -7.341 -1.081 1.00 0.17 C ATOM 686 O LEU A 668 4.754 -6.928 -1.287 1.00 0.17 O ATOM 687 CB LEU A 668 2.040 -7.343 -3.029 1.00 0.21 C ATOM 688 CG LEU A 668 1.837 -7.864 -4.461 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.262 -9.272 -4.470 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.928 -6.922 -5.233 1.00 0.80 C ATOM 0 H LEU A 668 1.109 -9.149 -1.593 1.00 0.21 H new ATOM 0 HA LEU A 668 3.665 -8.711 -2.721 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.061 -7.227 -2.564 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.486 -6.350 -3.085 1.00 0.21 H new ATOM 0 HG LEU A 668 2.813 -7.902 -4.944 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.133 -9.606 -5.500 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.944 -9.947 -3.953 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.297 -9.274 -3.964 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.790 -7.299 -6.246 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.039 -6.859 -4.734 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.380 -5.931 -5.273 1.00 0.80 H new ATOM 702 N ALA A 669 2.952 -7.088 0.048 1.00 0.18 N ATOM 703 CA ALA A 669 3.545 -6.266 1.092 1.00 0.19 C ATOM 704 C ALA A 669 4.588 -7.067 1.853 1.00 0.20 C ATOM 705 O ALA A 669 5.597 -6.525 2.296 1.00 0.22 O ATOM 706 CB ALA A 669 2.483 -5.742 2.043 1.00 0.23 C ATOM 0 H ALA A 669 2.017 -7.437 0.259 1.00 0.18 H new ATOM 0 HA ALA A 669 4.027 -5.409 0.622 1.00 0.19 H new ATOM 0 HB1 ALA A 669 2.954 -5.131 2.813 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.765 -5.138 1.489 1.00 0.23 H new ATOM 0 HB3 ALA A 669 1.967 -6.581 2.510 1.00 0.23 H new ATOM 712 N ARG A 670 4.332 -8.363 1.992 1.00 0.22 N ATOM 713 CA ARG A 670 5.285 -9.277 2.602 1.00 0.26 C ATOM 714 C ARG A 670 6.561 -9.315 1.771 1.00 0.23 C ATOM 715 O ARG A 670 7.671 -9.220 2.304 1.00 0.25 O ATOM 716 CB ARG A 670 4.678 -10.675 2.692 1.00 0.33 C ATOM 717 CG ARG A 670 5.568 -11.699 3.370 1.00 0.41 C ATOM 718 CD ARG A 670 4.940 -13.080 3.326 1.00 0.83 C ATOM 719 NE ARG A 670 5.699 -14.058 4.099 1.00 1.62 N ATOM 720 CZ ARG A 670 5.412 -15.357 4.139 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.416 -15.847 3.408 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.128 -16.168 4.904 1.00 3.33 N ATOM 0 H ARG A 670 3.465 -8.805 1.687 1.00 0.22 H new ATOM 0 HA ARG A 670 5.524 -8.930 3.608 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.735 -10.615 3.235 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.445 -11.023 1.686 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.541 -11.722 2.879 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.741 -11.407 4.406 1.00 0.41 H new ATOM 0 HD2 ARG A 670 3.922 -13.026 3.712 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.871 -13.413 2.290 1.00 0.83 H new ATOM 0 HE ARG A 670 6.497 -13.726 4.641 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.867 -15.227 2.813 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.200 -16.843 3.442 1.00 2.41 H new ATOM 0 HH21 ARG A 670 6.898 -15.796 5.461 1.00 3.33 H new ATOM 0 HH22 ARG A 670 5.910 -17.164 4.936 1.00 3.33 H new ATOM 736 N GLU A 671 6.396 -9.420 0.456 1.00 0.22 N ATOM 737 CA GLU A 671 7.532 -9.436 -0.444 1.00 0.23 C ATOM 738 C GLU A 671 8.235 -8.085 -0.403 1.00 0.19 C ATOM 739 O GLU A 671 9.458 -8.016 -0.318 1.00 0.21 O ATOM 740 CB GLU A 671 7.082 -9.783 -1.866 1.00 0.30 C ATOM 741 CG GLU A 671 8.229 -9.947 -2.848 1.00 0.38 C ATOM 742 CD GLU A 671 7.788 -10.566 -4.155 1.00 0.99 C ATOM 743 OE1 GLU A 671 7.609 -9.829 -5.145 1.00 1.89 O ATOM 744 OE2 GLU A 671 7.607 -11.801 -4.197 1.00 1.11 O ATOM 0 H GLU A 671 5.488 -9.495 -0.004 1.00 0.22 H new ATOM 0 HA GLU A 671 8.236 -10.203 -0.123 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.504 -10.707 -1.839 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.415 -9.000 -2.228 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.677 -8.973 -3.044 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.002 -10.569 -2.398 1.00 0.38 H new ATOM 751 N ALA A 672 7.448 -7.014 -0.426 1.00 0.17 N ATOM 752 CA ALA A 672 7.984 -5.665 -0.289 1.00 0.18 C ATOM 753 C ALA A 672 8.787 -5.521 1.000 1.00 0.20 C ATOM 754 O ALA A 672 9.859 -4.914 1.015 1.00 0.23 O ATOM 755 CB ALA A 672 6.856 -4.649 -0.317 1.00 0.21 C ATOM 0 H ALA A 672 6.435 -7.055 -0.538 1.00 0.17 H new ATOM 0 HA ALA A 672 8.654 -5.480 -1.129 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.268 -3.645 -0.214 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.320 -4.726 -1.263 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.169 -4.845 0.506 1.00 0.21 H new ATOM 761 N GLU A 673 8.264 -6.099 2.075 1.00 0.22 N ATOM 762 CA GLU A 673 8.926 -6.072 3.366 1.00 0.28 C ATOM 763 C GLU A 673 10.240 -6.841 3.304 1.00 0.28 C ATOM 764 O GLU A 673 11.254 -6.402 3.852 1.00 0.31 O ATOM 765 CB GLU A 673 8.004 -6.662 4.434 1.00 0.34 C ATOM 766 CG GLU A 673 8.606 -6.682 5.824 1.00 0.70 C ATOM 767 CD GLU A 673 7.616 -7.134 6.873 1.00 1.08 C ATOM 768 OE1 GLU A 673 7.117 -6.277 7.630 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.322 -8.344 6.941 1.00 1.76 O ATOM 0 H GLU A 673 7.373 -6.596 2.073 1.00 0.22 H new ATOM 0 HA GLU A 673 9.150 -5.038 3.630 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.078 -6.087 4.458 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.739 -7.680 4.149 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.470 -7.346 5.833 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.968 -5.685 6.075 1.00 0.70 H new ATOM 776 N MET A 674 10.226 -7.973 2.606 1.00 0.27 N ATOM 777 CA MET A 674 11.436 -8.769 2.428 1.00 0.31 C ATOM 778 C MET A 674 12.419 -8.057 1.507 1.00 0.29 C ATOM 779 O MET A 674 13.622 -8.277 1.587 1.00 0.34 O ATOM 780 CB MET A 674 11.121 -10.158 1.867 1.00 0.36 C ATOM 781 CG MET A 674 10.308 -11.038 2.802 1.00 0.54 C ATOM 782 SD MET A 674 10.212 -12.749 2.235 1.00 0.60 S ATOM 783 CE MET A 674 9.379 -12.555 0.662 1.00 0.79 C ATOM 0 H MET A 674 9.395 -8.358 2.157 1.00 0.27 H new ATOM 0 HA MET A 674 11.888 -8.891 3.412 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.577 -10.044 0.929 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.058 -10.664 1.633 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.753 -11.013 3.797 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.301 -10.632 2.893 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.282 -13.527 0.179 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.388 -12.130 0.825 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.959 -11.889 0.023 1.00 0.79 H new ATOM 793 N LEU A 675 11.905 -7.201 0.633 1.00 0.26 N ATOM 794 CA LEU A 675 12.747 -6.415 -0.264 1.00 0.27 C ATOM 795 C LEU A 675 13.238 -5.152 0.438 1.00 0.30 C ATOM 796 O LEU A 675 14.195 -4.518 0.001 1.00 0.39 O ATOM 797 CB LEU A 675 11.967 -6.033 -1.533 1.00 0.27 C ATOM 798 CG LEU A 675 12.103 -6.979 -2.735 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.502 -6.909 -3.323 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.765 -8.413 -2.356 1.00 0.47 C ATOM 0 H LEU A 675 10.905 -7.032 0.525 1.00 0.26 H new ATOM 0 HA LEU A 675 13.608 -7.022 -0.545 1.00 0.27 H new ATOM 0 HB2 LEU A 675 10.911 -5.960 -1.275 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.288 -5.039 -1.844 1.00 0.27 H new ATOM 0 HG LEU A 675 11.389 -6.651 -3.490 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.574 -7.588 -4.173 1.00 0.53 H new ATOM 0 HD12 LEU A 675 13.707 -5.891 -3.653 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.230 -7.198 -2.565 1.00 0.53 H new ATOM 0 HD21 LEU A 675 11.872 -9.055 -3.230 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.443 -8.752 -1.572 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.738 -8.461 -1.994 1.00 0.47 H new ATOM 812 N PHE A 676 12.562 -4.782 1.515 1.00 0.30 N ATOM 813 CA PHE A 676 12.946 -3.613 2.293 1.00 0.37 C ATOM 814 C PHE A 676 14.063 -3.950 3.278 1.00 0.42 C ATOM 815 O PHE A 676 15.078 -3.252 3.338 1.00 0.46 O ATOM 816 CB PHE A 676 11.730 -3.046 3.038 1.00 0.44 C ATOM 817 CG PHE A 676 12.011 -1.763 3.774 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.785 -1.669 5.138 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.508 -0.655 3.105 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.046 -0.496 5.818 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.770 0.521 3.783 1.00 0.82 C ATOM 822 CZ PHE A 676 12.520 0.611 5.128 1.00 0.82 C ATOM 0 H PHE A 676 11.743 -5.275 1.871 1.00 0.30 H new ATOM 0 HA PHE A 676 13.321 -2.857 1.604 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.925 -2.875 2.323 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.372 -3.791 3.749 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.400 -2.523 5.675 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.693 -0.711 2.042 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.882 -0.440 6.884 1.00 0.78 H new ATOM 0 HE2 PHE A 676 13.173 1.371 3.252 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.692 1.541 5.649 1.00 0.82 H new ATOM 832 N THR A 677 13.881 -5.010 4.057 1.00 0.47 N ATOM 833 CA THR A 677 14.877 -5.397 5.044 1.00 0.57 C ATOM 834 C THR A 677 15.920 -6.336 4.443 1.00 0.65 C ATOM 835 O THR A 677 17.075 -6.370 4.881 1.00 0.89 O ATOM 836 CB THR A 677 14.217 -6.071 6.265 1.00 0.77 C ATOM 837 OG1 THR A 677 13.358 -7.136 5.834 1.00 1.45 O ATOM 838 CG2 THR A 677 13.410 -5.066 7.070 1.00 0.97 C ATOM 0 H THR A 677 13.058 -5.612 4.024 1.00 0.47 H new ATOM 0 HA THR A 677 15.376 -4.484 5.370 1.00 0.57 H new ATOM 0 HB THR A 677 15.008 -6.472 6.898 1.00 0.77 H new ATOM 0 HG1 THR A 677 12.944 -7.559 6.615 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.955 -5.566 7.925 1.00 0.97 H new ATOM 0 HG22 THR A 677 14.067 -4.271 7.422 1.00 0.97 H new ATOM 0 HG23 THR A 677 12.629 -4.640 6.441 1.00 0.97 H new ATOM 846 N GLY A 678 15.514 -7.090 3.433 1.00 0.61 N ATOM 847 CA GLY A 678 16.403 -8.052 2.820 1.00 0.76 C ATOM 848 C GLY A 678 16.183 -9.440 3.380 1.00 1.01 C ATOM 849 O GLY A 678 15.160 -9.703 4.011 1.00 1.40 O ATOM 0 H GLY A 678 14.580 -7.052 3.026 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.242 -8.063 1.742 1.00 0.76 H new ATOM 0 HA3 GLY A 678 17.437 -7.751 2.985 1.00 0.76 H new ATOM 853 N GLY A 679 17.130 -10.330 3.149 1.00 1.33 N ATOM 854 CA GLY A 679 17.024 -11.672 3.668 1.00 1.95 C ATOM 855 C GLY A 679 17.913 -12.627 2.911 1.00 1.80 C ATOM 856 O GLY A 679 18.719 -12.200 2.084 1.00 2.07 O ATOM 0 H GLY A 679 17.975 -10.145 2.608 1.00 1.33 H new ATOM 0 HA2 GLY A 679 17.296 -11.678 4.723 1.00 1.95 H new ATOM 0 HA3 GLY A 679 15.989 -12.008 3.604 1.00 1.95 H new ATOM 860 N TYR A 680 17.761 -13.912 3.175 1.00 1.93 N ATOM 861 CA TYR A 680 18.550 -14.926 2.489 1.00 2.05 C ATOM 862 C TYR A 680 17.907 -15.270 1.153 1.00 1.75 C ATOM 863 O TYR A 680 17.155 -16.236 1.041 1.00 2.00 O ATOM 864 CB TYR A 680 18.701 -16.181 3.353 1.00 2.63 C ATOM 865 CG TYR A 680 19.576 -15.969 4.565 1.00 3.13 C ATOM 866 CD1 TYR A 680 20.957 -16.085 4.471 1.00 3.63 C ATOM 867 CD2 TYR A 680 19.027 -15.652 5.799 1.00 3.37 C ATOM 868 CE1 TYR A 680 21.765 -15.892 5.572 1.00 4.26 C ATOM 869 CE2 TYR A 680 19.830 -15.457 6.907 1.00 3.94 C ATOM 870 CZ TYR A 680 21.198 -15.577 6.787 1.00 4.36 C ATOM 871 OH TYR A 680 22.003 -15.389 7.889 1.00 5.05 O ATOM 0 H TYR A 680 17.100 -14.281 3.858 1.00 1.93 H new ATOM 0 HA TYR A 680 19.547 -14.524 2.308 1.00 2.05 H new ATOM 0 HB2 TYR A 680 17.714 -16.510 3.679 1.00 2.63 H new ATOM 0 HB3 TYR A 680 19.121 -16.983 2.746 1.00 2.63 H new ATOM 0 HD1 TYR A 680 21.406 -16.330 3.520 1.00 3.63 H new ATOM 0 HD2 TYR A 680 17.956 -15.556 5.895 1.00 3.37 H new ATOM 0 HE1 TYR A 680 22.837 -15.987 5.482 1.00 4.26 H new ATOM 0 HE2 TYR A 680 19.388 -15.212 7.861 1.00 3.94 H new ATOM 0 HH TYR A 680 21.448 -15.172 8.667 1.00 5.05 H new ATOM 881 N GLY A 681 18.192 -14.453 0.151 1.00 1.41 N ATOM 882 CA GLY A 681 17.618 -14.649 -1.162 1.00 1.29 C ATOM 883 C GLY A 681 16.965 -13.386 -1.671 1.00 1.11 C ATOM 884 O GLY A 681 16.940 -13.126 -2.875 1.00 1.20 O ATOM 0 H GLY A 681 18.817 -13.650 0.226 1.00 1.41 H new ATOM 0 HA2 GLY A 681 18.396 -14.964 -1.858 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.881 -15.451 -1.123 1.00 1.29 H new ATOM 888 N LEU A 682 16.446 -12.591 -0.745 1.00 0.95 N ATOM 889 CA LEU A 682 15.806 -11.330 -1.084 1.00 0.84 C ATOM 890 C LEU A 682 16.791 -10.192 -0.868 1.00 0.76 C ATOM 891 O LEU A 682 17.532 -10.184 0.117 1.00 0.82 O ATOM 892 CB LEU A 682 14.545 -11.094 -0.232 1.00 0.88 C ATOM 893 CG LEU A 682 13.345 -12.020 -0.499 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.001 -12.059 -1.979 1.00 1.10 C ATOM 895 CD2 LEU A 682 13.597 -13.424 0.029 1.00 1.38 C ATOM 0 H LEU A 682 16.457 -12.800 0.253 1.00 0.95 H new ATOM 0 HA LEU A 682 15.503 -11.369 -2.130 1.00 0.84 H new ATOM 0 HB2 LEU A 682 14.821 -11.190 0.818 1.00 0.88 H new ATOM 0 HB3 LEU A 682 14.220 -10.065 -0.383 1.00 0.88 H new ATOM 0 HG LEU A 682 12.491 -11.608 0.039 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.150 -12.721 -2.137 1.00 1.10 H new ATOM 0 HD12 LEU A 682 12.748 -11.055 -2.320 1.00 1.10 H new ATOM 0 HD13 LEU A 682 13.858 -12.429 -2.542 1.00 1.10 H new ATOM 0 HD21 LEU A 682 12.729 -14.051 -0.176 1.00 1.38 H new ATOM 0 HD22 LEU A 682 14.474 -13.845 -0.462 1.00 1.38 H new ATOM 0 HD23 LEU A 682 13.768 -13.383 1.105 1.00 1.38 H new ATOM 907 N GLU A 683 16.815 -9.246 -1.788 1.00 0.78 N ATOM 908 CA GLU A 683 17.723 -8.112 -1.690 1.00 0.79 C ATOM 909 C GLU A 683 17.007 -6.905 -1.108 1.00 0.68 C ATOM 910 O GLU A 683 15.789 -6.787 -1.211 1.00 0.78 O ATOM 911 CB GLU A 683 18.293 -7.756 -3.063 1.00 0.99 C ATOM 912 CG GLU A 683 19.149 -8.850 -3.678 1.00 1.48 C ATOM 913 CD GLU A 683 20.260 -9.296 -2.756 1.00 2.22 C ATOM 914 OE1 GLU A 683 20.263 -10.473 -2.341 1.00 2.83 O ATOM 915 OE2 GLU A 683 21.138 -8.475 -2.435 1.00 2.76 O ATOM 0 H GLU A 683 16.216 -9.238 -2.614 1.00 0.78 H new ATOM 0 HA GLU A 683 18.542 -8.394 -1.029 1.00 0.79 H new ATOM 0 HB2 GLU A 683 17.469 -7.530 -3.740 1.00 0.99 H new ATOM 0 HB3 GLU A 683 18.890 -6.849 -2.973 1.00 0.99 H new ATOM 0 HG2 GLU A 683 18.520 -9.705 -3.925 1.00 1.48 H new ATOM 0 HG3 GLU A 683 19.578 -8.490 -4.613 1.00 1.48 H new ATOM 922 N LYS A 684 17.765 -6.013 -0.489 1.00 0.64 N ATOM 923 CA LYS A 684 17.197 -4.780 0.032 1.00 0.59 C ATOM 924 C LYS A 684 17.262 -3.693 -1.038 1.00 0.52 C ATOM 925 O LYS A 684 18.242 -2.956 -1.158 1.00 0.69 O ATOM 926 CB LYS A 684 17.892 -4.344 1.337 1.00 0.70 C ATOM 927 CG LYS A 684 19.393 -4.099 1.222 1.00 0.85 C ATOM 928 CD LYS A 684 20.035 -3.910 2.590 1.00 0.94 C ATOM 929 CE LYS A 684 19.528 -2.656 3.296 1.00 1.09 C ATOM 930 NZ LYS A 684 19.996 -1.411 2.634 1.00 1.72 N ATOM 0 H LYS A 684 18.768 -6.119 -0.336 1.00 0.64 H new ATOM 0 HA LYS A 684 16.151 -4.954 0.284 1.00 0.59 H new ATOM 0 HB2 LYS A 684 17.417 -3.431 1.695 1.00 0.70 H new ATOM 0 HB3 LYS A 684 17.722 -5.110 2.094 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.862 -4.941 0.712 1.00 0.85 H new ATOM 0 HG3 LYS A 684 19.572 -3.215 0.610 1.00 0.85 H new ATOM 0 HD2 LYS A 684 19.829 -4.782 3.210 1.00 0.94 H new ATOM 0 HD3 LYS A 684 21.117 -3.848 2.476 1.00 0.94 H new ATOM 0 HE2 LYS A 684 18.438 -2.668 3.315 1.00 1.09 H new ATOM 0 HE3 LYS A 684 19.865 -2.663 4.332 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 19.714 -0.588 3.203 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 21.032 -1.433 2.547 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 19.570 -1.340 1.688 1.00 1.72 H new ATOM 944 N ASP A 685 16.213 -3.627 -1.838 1.00 0.36 N ATOM 945 CA ASP A 685 16.156 -2.686 -2.948 1.00 0.32 C ATOM 946 C ASP A 685 15.018 -1.695 -2.731 1.00 0.27 C ATOM 947 O ASP A 685 13.845 -2.053 -2.835 1.00 0.26 O ATOM 948 CB ASP A 685 15.959 -3.422 -4.279 1.00 0.35 C ATOM 949 CG ASP A 685 16.066 -2.490 -5.470 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.123 -2.472 -6.128 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.090 -1.767 -5.759 1.00 1.68 O ATOM 0 H ASP A 685 15.385 -4.215 -1.741 1.00 0.36 H new ATOM 0 HA ASP A 685 17.102 -2.147 -2.990 1.00 0.32 H new ATOM 0 HB2 ASP A 685 16.705 -4.212 -4.369 1.00 0.35 H new ATOM 0 HB3 ASP A 685 14.982 -3.905 -4.284 1.00 0.35 H new ATOM 956 N PRO A 686 15.366 -0.432 -2.410 1.00 0.29 N ATOM 957 CA PRO A 686 14.384 0.631 -2.138 1.00 0.29 C ATOM 958 C PRO A 686 13.337 0.790 -3.240 1.00 0.25 C ATOM 959 O PRO A 686 12.158 1.013 -2.960 1.00 0.25 O ATOM 960 CB PRO A 686 15.235 1.900 -2.061 1.00 0.37 C ATOM 961 CG PRO A 686 16.605 1.440 -1.703 1.00 0.42 C ATOM 962 CD PRO A 686 16.756 0.049 -2.268 1.00 0.37 C ATOM 0 HA PRO A 686 13.816 0.408 -1.235 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.236 2.430 -3.013 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.845 2.589 -1.312 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.359 2.110 -2.117 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.742 1.436 -0.622 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.274 0.062 -3.227 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.334 -0.592 -1.602 1.00 0.37 H new ATOM 970 N GLN A 687 13.762 0.662 -4.488 1.00 0.25 N ATOM 971 CA GLN A 687 12.872 0.878 -5.617 1.00 0.27 C ATOM 972 C GLN A 687 11.892 -0.278 -5.741 1.00 0.23 C ATOM 973 O GLN A 687 10.689 -0.071 -5.927 1.00 0.24 O ATOM 974 CB GLN A 687 13.675 1.039 -6.910 1.00 0.35 C ATOM 975 CG GLN A 687 12.824 1.243 -8.157 1.00 0.65 C ATOM 976 CD GLN A 687 11.965 2.494 -8.100 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.400 3.577 -8.491 1.00 2.21 O ATOM 978 NE2 GLN A 687 10.731 2.351 -7.636 1.00 1.23 N ATOM 0 H GLN A 687 14.717 0.410 -4.744 1.00 0.25 H new ATOM 0 HA GLN A 687 12.310 1.796 -5.446 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.349 1.889 -6.802 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.297 0.155 -7.050 1.00 0.35 H new ATOM 0 HG2 GLN A 687 13.476 1.298 -9.029 1.00 0.65 H new ATOM 0 HG3 GLN A 687 12.180 0.374 -8.295 1.00 0.65 H new ATOM 0 HE21 GLN A 687 10.407 1.436 -7.321 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.105 3.156 -7.594 1.00 1.23 H new ATOM 987 N ARG A 688 12.403 -1.493 -5.585 1.00 0.22 N ATOM 988 CA ARG A 688 11.586 -2.684 -5.712 1.00 0.23 C ATOM 989 C ARG A 688 10.633 -2.759 -4.527 1.00 0.18 C ATOM 990 O ARG A 688 9.458 -3.102 -4.677 1.00 0.20 O ATOM 991 CB ARG A 688 12.480 -3.931 -5.750 1.00 0.29 C ATOM 992 CG ARG A 688 12.048 -4.991 -6.753 1.00 0.70 C ATOM 993 CD ARG A 688 10.672 -5.550 -6.435 1.00 0.78 C ATOM 994 NE ARG A 688 10.259 -6.575 -7.390 1.00 1.67 N ATOM 995 CZ ARG A 688 9.090 -6.574 -8.032 1.00 2.16 C ATOM 996 NH1 ARG A 688 8.242 -5.563 -7.884 1.00 1.85 N ATOM 997 NH2 ARG A 688 8.777 -7.580 -8.839 1.00 3.24 N ATOM 0 H ARG A 688 13.383 -1.675 -5.370 1.00 0.22 H new ATOM 0 HA ARG A 688 11.013 -2.640 -6.638 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.500 -3.624 -5.983 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.501 -4.377 -4.756 1.00 0.29 H new ATOM 0 HG2 ARG A 688 12.042 -4.561 -7.755 1.00 0.70 H new ATOM 0 HG3 ARG A 688 12.776 -5.802 -6.759 1.00 0.70 H new ATOM 0 HD2 ARG A 688 10.677 -5.973 -5.430 1.00 0.78 H new ATOM 0 HD3 ARG A 688 9.943 -4.740 -6.437 1.00 0.78 H new ATOM 0 HE ARG A 688 10.906 -7.341 -7.578 1.00 1.67 H new ATOM 0 HH11 ARG A 688 8.483 -4.780 -7.276 1.00 1.85 H new ATOM 0 HH12 ARG A 688 7.350 -5.569 -8.378 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.430 -8.353 -8.968 1.00 3.24 H new ATOM 0 HH22 ARG A 688 7.883 -7.580 -9.331 1.00 3.24 H new ATOM 1011 N SER A 689 11.158 -2.424 -3.351 1.00 0.16 N ATOM 1012 CA SER A 689 10.367 -2.387 -2.134 1.00 0.17 C ATOM 1013 C SER A 689 9.170 -1.459 -2.299 1.00 0.15 C ATOM 1014 O SER A 689 8.025 -1.876 -2.102 1.00 0.16 O ATOM 1015 CB SER A 689 11.227 -1.936 -0.951 1.00 0.21 C ATOM 1016 OG SER A 689 10.521 -2.060 0.270 1.00 1.11 O ATOM 0 H SER A 689 12.138 -2.173 -3.220 1.00 0.16 H new ATOM 0 HA SER A 689 9.999 -3.394 -1.935 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.137 -2.534 -0.910 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.533 -0.900 -1.094 1.00 0.21 H new ATOM 0 HG SER A 689 10.242 -2.991 0.393 1.00 1.11 H new ATOM 1022 N GLY A 690 9.417 -0.209 -2.697 1.00 0.16 N ATOM 1023 CA GLY A 690 8.334 0.737 -2.839 1.00 0.18 C ATOM 1024 C GLY A 690 7.404 0.376 -3.976 1.00 0.17 C ATOM 1025 O GLY A 690 6.200 0.623 -3.900 1.00 0.19 O ATOM 0 H GLY A 690 10.343 0.157 -2.920 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.768 0.780 -1.909 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.744 1.733 -3.009 1.00 0.18 H new ATOM 1029 N ASP A 691 7.955 -0.220 -5.028 1.00 0.17 N ATOM 1030 CA ASP A 691 7.141 -0.656 -6.159 1.00 0.20 C ATOM 1031 C ASP A 691 6.169 -1.743 -5.709 1.00 0.18 C ATOM 1032 O ASP A 691 4.986 -1.715 -6.045 1.00 0.22 O ATOM 1033 CB ASP A 691 8.018 -1.172 -7.300 1.00 0.26 C ATOM 1034 CG ASP A 691 7.206 -1.682 -8.474 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.558 -0.855 -9.147 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.206 -2.908 -8.723 1.00 1.54 O ATOM 0 H ASP A 691 8.952 -0.411 -5.122 1.00 0.17 H new ATOM 0 HA ASP A 691 6.577 0.201 -6.528 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.676 -0.371 -7.638 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.656 -1.974 -6.929 1.00 0.26 H new ATOM 1041 N LEU A 692 6.663 -2.681 -4.913 1.00 0.16 N ATOM 1042 CA LEU A 692 5.820 -3.742 -4.384 1.00 0.16 C ATOM 1043 C LEU A 692 4.822 -3.191 -3.376 1.00 0.15 C ATOM 1044 O LEU A 692 3.679 -3.633 -3.335 1.00 0.16 O ATOM 1045 CB LEU A 692 6.666 -4.834 -3.738 1.00 0.20 C ATOM 1046 CG LEU A 692 7.342 -5.795 -4.708 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.437 -6.574 -4.000 1.00 1.35 C ATOM 1048 CD2 LEU A 692 6.313 -6.745 -5.298 1.00 0.73 C ATOM 0 H LEU A 692 7.639 -2.728 -4.621 1.00 0.16 H new ATOM 0 HA LEU A 692 5.268 -4.175 -5.218 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.434 -4.361 -3.127 1.00 0.20 H new ATOM 0 HB3 LEU A 692 6.032 -5.410 -3.064 1.00 0.20 H new ATOM 0 HG LEU A 692 7.795 -5.221 -5.517 1.00 0.48 H new ATOM 0 HD11 LEU A 692 8.912 -7.257 -4.705 1.00 1.35 H new ATOM 0 HD12 LEU A 692 9.182 -5.881 -3.609 1.00 1.35 H new ATOM 0 HD13 LEU A 692 8.005 -7.144 -3.178 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.804 -7.429 -5.990 1.00 0.73 H new ATOM 0 HD22 LEU A 692 5.843 -7.315 -4.497 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.553 -6.173 -5.831 1.00 0.73 H new ATOM 1060 N TYR A 693 5.247 -2.222 -2.571 1.00 0.15 N ATOM 1061 CA TYR A 693 4.346 -1.600 -1.604 1.00 0.17 C ATOM 1062 C TYR A 693 3.245 -0.815 -2.311 1.00 0.18 C ATOM 1063 O TYR A 693 2.094 -0.816 -1.876 1.00 0.20 O ATOM 1064 CB TYR A 693 5.101 -0.691 -0.625 1.00 0.21 C ATOM 1065 CG TYR A 693 5.612 -1.418 0.602 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.733 -2.097 1.438 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.963 -1.424 0.931 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.183 -2.761 2.562 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.421 -2.088 2.054 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.527 -2.755 2.866 1.00 1.05 C ATOM 1071 OH TYR A 693 6.979 -3.415 3.987 1.00 1.33 O ATOM 0 H TYR A 693 6.198 -1.853 -2.567 1.00 0.15 H new ATOM 0 HA TYR A 693 3.888 -2.405 -1.028 1.00 0.17 H new ATOM 0 HB2 TYR A 693 5.943 -0.232 -1.143 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.442 0.118 -0.310 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.679 -2.105 1.204 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.666 -0.902 0.299 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.485 -3.283 3.200 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.474 -2.085 2.294 1.00 0.96 H new ATOM 0 HH TYR A 693 6.281 -4.020 4.314 1.00 1.33 H new ATOM 1081 N THR A 694 3.588 -0.171 -3.418 1.00 0.19 N ATOM 1082 CA THR A 694 2.601 0.584 -4.176 1.00 0.22 C ATOM 1083 C THR A 694 1.655 -0.360 -4.917 1.00 0.20 C ATOM 1084 O THR A 694 0.448 -0.109 -4.992 1.00 0.21 O ATOM 1085 CB THR A 694 3.262 1.580 -5.153 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.336 0.948 -5.854 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.795 2.793 -4.405 1.00 0.31 C ATOM 0 H THR A 694 4.531 -0.156 -3.807 1.00 0.19 H new ATOM 0 HA THR A 694 2.020 1.170 -3.464 1.00 0.22 H new ATOM 0 HB THR A 694 2.505 1.906 -5.866 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.127 0.912 -5.277 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.257 3.482 -5.112 1.00 0.31 H new ATOM 0 HG22 THR A 694 2.974 3.294 -3.893 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.537 2.472 -3.674 1.00 0.31 H new ATOM 1095 N GLN A 695 2.192 -1.471 -5.426 1.00 0.19 N ATOM 1096 CA GLN A 695 1.352 -2.497 -6.033 1.00 0.20 C ATOM 1097 C GLN A 695 0.448 -3.114 -4.972 1.00 0.17 C ATOM 1098 O GLN A 695 -0.731 -3.392 -5.217 1.00 0.18 O ATOM 1099 CB GLN A 695 2.196 -3.594 -6.689 1.00 0.25 C ATOM 1100 CG GLN A 695 2.998 -3.130 -7.895 1.00 0.85 C ATOM 1101 CD GLN A 695 3.644 -4.282 -8.640 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.955 -5.355 -7.928 1.00 2.09 O flip ATOM 1103 NE2 GLN A 695 3.852 -4.215 -9.850 1.00 2.13 N flip ATOM 0 H GLN A 695 3.191 -1.679 -5.429 1.00 0.19 H new ATOM 0 HA GLN A 695 0.748 -2.024 -6.807 1.00 0.20 H new ATOM 0 HB2 GLN A 695 2.882 -4.001 -5.946 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.538 -4.407 -6.996 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.344 -2.584 -8.574 1.00 0.85 H new ATOM 0 HG3 GLN A 695 3.771 -2.434 -7.568 1.00 0.85 H new ATOM 0 HE21 GLN A 695 3.599 -3.372 -10.365 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.278 -5.003 -10.339 1.00 2.13 H new ATOM 1112 N ALA A 696 1.009 -3.323 -3.786 1.00 0.16 N ATOM 1113 CA ALA A 696 0.249 -3.823 -2.658 1.00 0.16 C ATOM 1114 C ALA A 696 -0.855 -2.849 -2.285 1.00 0.16 C ATOM 1115 O ALA A 696 -1.972 -3.261 -1.972 1.00 0.16 O ATOM 1116 CB ALA A 696 1.160 -4.081 -1.467 1.00 0.18 C ATOM 0 H ALA A 696 1.994 -3.151 -3.585 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.210 -4.768 -2.947 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.569 -4.456 -0.631 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.914 -4.820 -1.739 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.651 -3.152 -1.176 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.561 -1.551 -2.338 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.565 -0.543 -2.047 1.00 0.17 C ATOM 1124 C ALA A 697 -2.662 -0.567 -3.094 1.00 0.16 C ATOM 1125 O ALA A 697 -3.836 -0.363 -2.783 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.934 0.837 -1.985 1.00 0.20 C ATOM 0 H ALA A 697 0.358 -1.180 -2.578 1.00 0.16 H new ATOM 0 HA ALA A 697 -2.004 -0.770 -1.075 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.702 1.579 -1.766 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.177 0.856 -1.201 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.469 1.068 -2.944 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.271 -0.816 -4.340 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.232 -1.003 -5.413 1.00 0.20 C ATOM 1134 C GLU A 698 -4.177 -2.145 -5.058 1.00 0.18 C ATOM 1135 O GLU A 698 -5.400 -1.991 -5.067 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.508 -1.314 -6.725 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.437 -1.704 -7.860 1.00 1.02 C ATOM 1138 CD GLU A 698 -2.685 -2.191 -9.076 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.578 -3.423 -9.262 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.188 -1.346 -9.846 1.00 1.40 O ATOM 0 H GLU A 698 -1.295 -0.892 -4.628 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.806 -0.085 -5.540 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.929 -0.441 -7.026 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.798 -2.123 -6.554 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -4.116 -2.486 -7.518 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -4.051 -0.846 -8.135 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.598 -3.283 -4.701 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.375 -4.453 -4.329 1.00 0.18 C ATOM 1149 C ALA A 699 -5.236 -4.175 -3.103 1.00 0.15 C ATOM 1150 O ALA A 699 -6.328 -4.722 -2.965 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.449 -5.622 -4.065 1.00 0.21 C ATOM 0 H ALA A 699 -2.588 -3.419 -4.662 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.040 -4.700 -5.156 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.037 -6.496 -3.786 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.875 -5.842 -4.965 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.767 -5.370 -3.253 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.740 -3.316 -2.226 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.459 -2.965 -1.013 1.00 0.13 C ATOM 1159 C ALA A 700 -6.674 -2.104 -1.341 1.00 0.13 C ATOM 1160 O ALA A 700 -7.782 -2.381 -0.885 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.544 -2.245 -0.041 1.00 0.14 C ATOM 0 H ALA A 700 -3.840 -2.848 -2.333 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.806 -3.884 -0.542 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -5.100 -1.990 0.861 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.707 -2.893 0.219 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.166 -1.333 -0.504 1.00 0.14 H new ATOM 1167 N MET A 701 -6.462 -1.069 -2.147 1.00 0.15 N ATOM 1168 CA MET A 701 -7.542 -0.165 -2.529 1.00 0.20 C ATOM 1169 C MET A 701 -8.586 -0.899 -3.369 1.00 0.23 C ATOM 1170 O MET A 701 -9.773 -0.586 -3.311 1.00 0.28 O ATOM 1171 CB MET A 701 -6.997 1.050 -3.298 1.00 0.27 C ATOM 1172 CG MET A 701 -6.518 0.730 -4.707 1.00 0.44 C ATOM 1173 SD MET A 701 -5.897 2.172 -5.596 1.00 0.74 S ATOM 1174 CE MET A 701 -4.494 2.624 -4.577 1.00 0.76 C ATOM 0 H MET A 701 -5.554 -0.835 -2.548 1.00 0.15 H new ATOM 0 HA MET A 701 -8.018 0.194 -1.616 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.776 1.810 -3.355 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.170 1.482 -2.734 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.730 -0.022 -4.653 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.340 0.290 -5.272 1.00 0.44 H new ATOM 0 HE1 MET A 701 -3.768 3.171 -5.179 1.00 0.76 H new ATOM 0 HE2 MET A 701 -4.830 3.254 -3.753 1.00 0.76 H new ATOM 0 HE3 MET A 701 -4.029 1.723 -4.178 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.139 -1.890 -4.136 1.00 0.24 N ATOM 1185 CA GLU A 702 -9.046 -2.687 -4.958 1.00 0.31 C ATOM 1186 C GLU A 702 -9.813 -3.704 -4.111 1.00 0.29 C ATOM 1187 O GLU A 702 -10.827 -4.253 -4.543 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.267 -3.398 -6.063 1.00 0.42 C ATOM 1189 CG GLU A 702 -7.698 -2.451 -7.108 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.775 -1.702 -7.867 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -9.138 -0.582 -7.455 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -9.267 -2.236 -8.884 1.00 2.58 O ATOM 0 H GLU A 702 -7.158 -2.160 -4.206 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.772 -2.012 -5.411 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.451 -3.965 -5.615 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -8.923 -4.117 -6.554 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -7.037 -1.734 -6.621 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -7.090 -3.018 -7.813 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.326 -3.946 -2.903 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.972 -4.876 -1.988 1.00 0.32 C ATOM 1201 C ALA A 703 -10.752 -4.135 -0.905 1.00 0.33 C ATOM 1202 O ALA A 703 -11.146 -4.731 0.103 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.941 -5.796 -1.361 1.00 0.39 C ATOM 0 H ALA A 703 -8.482 -3.509 -2.532 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.680 -5.475 -2.560 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.437 -6.487 -0.679 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.433 -6.360 -2.143 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.211 -5.203 -0.810 1.00 0.39 H new ATOM 1209 N MET A 704 -10.964 -2.834 -1.123 1.00 0.33 N ATOM 1210 CA MET A 704 -11.700 -1.983 -0.183 1.00 0.44 C ATOM 1211 C MET A 704 -10.967 -1.857 1.148 1.00 0.41 C ATOM 1212 O MET A 704 -11.582 -1.768 2.213 1.00 0.58 O ATOM 1213 CB MET A 704 -13.128 -2.499 0.036 1.00 0.61 C ATOM 1214 CG MET A 704 -14.042 -2.249 -1.151 1.00 1.01 C ATOM 1215 SD MET A 704 -14.195 -0.493 -1.535 1.00 2.03 S ATOM 1216 CE MET A 704 -15.205 -0.556 -3.010 1.00 2.61 C ATOM 0 H MET A 704 -10.632 -2.342 -1.953 1.00 0.33 H new ATOM 0 HA MET A 704 -11.762 -0.990 -0.629 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.094 -3.569 0.241 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.550 -2.019 0.919 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.656 -2.777 -2.023 1.00 1.01 H new ATOM 0 HG3 MET A 704 -15.029 -2.661 -0.940 1.00 1.01 H new ATOM 0 HE1 MET A 704 -15.387 0.457 -3.370 1.00 2.61 H new ATOM 0 HE2 MET A 704 -14.688 -1.127 -3.781 1.00 2.61 H new ATOM 0 HE3 MET A 704 -16.156 -1.036 -2.779 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.645 -1.842 1.078 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.816 -1.667 2.259 1.00 0.34 C ATOM 1228 C LYS A 705 -8.062 -0.341 2.179 1.00 0.31 C ATOM 1229 O LYS A 705 -6.850 -0.313 1.949 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.833 -2.833 2.400 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.496 -4.184 2.623 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.305 -4.203 3.910 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.785 -5.602 4.250 1.00 1.02 C ATOM 1234 NZ LYS A 705 -8.650 -6.516 4.544 1.00 1.59 N ATOM 0 H LYS A 705 -9.121 -1.950 0.210 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.459 -1.652 3.139 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.219 -2.886 1.501 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.161 -2.628 3.234 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.147 -4.414 1.780 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -7.734 -4.963 2.660 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -8.696 -3.818 4.728 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.163 -3.538 3.811 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -10.450 -5.559 5.112 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -10.366 -6.000 3.418 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -8.994 -7.334 5.086 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -8.229 -6.845 3.652 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -7.932 -6.010 5.100 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.801 0.752 2.354 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.229 2.084 2.288 1.00 0.47 C ATOM 1250 C GLY A 706 -7.040 2.278 3.212 1.00 0.42 C ATOM 1251 O GLY A 706 -6.000 2.778 2.778 1.00 0.40 O ATOM 0 H GLY A 706 -9.803 0.735 2.543 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.920 2.288 1.263 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.998 2.814 2.540 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.171 1.879 4.479 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.078 2.061 5.433 1.00 0.47 C ATOM 1257 C ARG A 707 -4.834 1.305 4.988 1.00 0.38 C ATOM 1258 O ARG A 707 -3.719 1.807 5.110 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.456 1.622 6.850 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.269 1.685 7.800 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.620 1.284 9.217 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.412 1.162 10.034 1.00 2.07 N ATOM 1263 CZ ARG A 707 -4.401 0.897 11.335 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -5.536 0.751 11.999 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -3.244 0.788 11.976 1.00 3.90 N ATOM 0 H ARG A 707 -8.006 1.436 4.862 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.869 3.131 5.456 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.256 2.260 7.226 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.845 0.604 6.823 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.479 1.032 7.429 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -4.868 2.699 7.804 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.288 2.025 9.655 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -6.157 0.336 9.209 1.00 1.28 H new ATOM 0 HE ARG A 707 -3.513 1.290 9.570 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -6.427 0.842 11.512 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -5.520 0.547 12.998 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.367 0.908 11.469 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -3.232 0.585 12.975 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.025 0.102 4.462 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.906 -0.708 3.996 1.00 0.30 C ATOM 1281 C LEU A 708 -3.188 0.003 2.860 1.00 0.23 C ATOM 1282 O LEU A 708 -1.962 0.097 2.853 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.380 -2.092 3.535 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.587 -3.139 4.641 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.275 -3.439 5.343 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.634 -2.686 5.648 1.00 1.02 C ATOM 0 H LEU A 708 -5.940 -0.333 4.347 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.215 -0.846 4.828 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.320 -1.971 2.997 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.653 -2.484 2.823 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.950 -4.052 4.168 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.441 -4.182 6.123 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.556 -3.825 4.621 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.884 -2.525 5.790 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.755 -3.450 6.416 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.313 -1.753 6.112 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.585 -2.530 5.139 1.00 1.02 H new ATOM 1298 N ALA A 709 -3.968 0.512 1.913 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.426 1.283 0.804 1.00 0.18 C ATOM 1300 C ALA A 709 -2.663 2.499 1.319 1.00 0.19 C ATOM 1301 O ALA A 709 -1.543 2.779 0.884 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.539 1.707 -0.142 1.00 0.21 C ATOM 0 H ALA A 709 -4.982 0.403 1.893 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.729 0.652 0.252 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.117 2.283 -0.966 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.038 0.822 -0.536 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.261 2.321 0.397 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.266 3.187 2.282 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.675 4.383 2.870 1.00 0.29 C ATOM 1310 C ASN A 710 -1.342 4.042 3.538 1.00 0.25 C ATOM 1311 O ASN A 710 -0.325 4.692 3.292 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.652 4.989 3.888 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.258 6.382 4.346 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.636 7.372 3.722 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.528 6.479 5.451 1.00 1.45 N ATOM 0 H ASN A 710 -4.172 2.933 2.675 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.483 5.114 2.085 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.648 5.028 3.446 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.714 4.333 4.756 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -2.263 7.397 5.808 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.232 5.636 5.943 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.358 3.004 4.372 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.155 2.540 5.057 1.00 0.26 C ATOM 1324 C GLN A 711 0.925 2.133 4.064 1.00 0.22 C ATOM 1325 O GLN A 711 2.061 2.578 4.164 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.473 1.356 5.974 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.327 1.718 7.179 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.649 0.517 8.057 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -1.832 0.659 9.264 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -1.720 -0.671 7.463 1.00 1.09 N ATOM 0 H GLN A 711 -2.197 2.466 4.590 1.00 0.25 H new ATOM 0 HA GLN A 711 0.215 3.371 5.657 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.987 0.589 5.395 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.462 0.919 6.323 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.807 2.468 7.775 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.257 2.171 6.836 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -1.562 -0.749 6.458 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.933 -1.504 8.012 1.00 1.09 H new ATOM 1339 N TYR A 712 0.575 1.263 3.126 1.00 0.20 N ATOM 1340 CA TYR A 712 1.536 0.800 2.131 1.00 0.20 C ATOM 1341 C TYR A 712 2.126 1.956 1.325 1.00 0.20 C ATOM 1342 O TYR A 712 3.304 1.919 0.970 1.00 0.21 O ATOM 1343 CB TYR A 712 0.917 -0.254 1.212 1.00 0.22 C ATOM 1344 CG TYR A 712 0.550 -1.537 1.930 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.179 -1.907 3.115 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.426 -2.378 1.420 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.843 -3.076 3.765 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.767 -3.549 2.065 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.131 -3.893 3.238 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.465 -5.061 3.881 1.00 0.44 O ATOM 0 H TYR A 712 -0.360 0.865 3.032 1.00 0.20 H new ATOM 0 HA TYR A 712 2.358 0.333 2.673 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.024 0.161 0.745 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.618 -0.483 0.410 1.00 0.22 H new ATOM 0 HD1 TYR A 712 1.943 -1.268 3.533 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.928 -2.112 0.502 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.342 -3.349 4.683 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.529 -4.193 1.652 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.170 -5.521 3.379 1.00 0.44 H new ATOM 1360 N TYR A 713 1.335 2.994 1.051 1.00 0.21 N ATOM 1361 CA TYR A 713 1.886 4.190 0.416 1.00 0.25 C ATOM 1362 C TYR A 713 2.835 4.908 1.371 1.00 0.23 C ATOM 1363 O TYR A 713 3.917 5.341 0.973 1.00 0.25 O ATOM 1364 CB TYR A 713 0.784 5.147 -0.058 1.00 0.32 C ATOM 1365 CG TYR A 713 0.296 4.863 -1.461 1.00 0.73 C ATOM 1366 CD1 TYR A 713 1.103 5.102 -2.563 1.00 1.81 C ATOM 1367 CD2 TYR A 713 -0.978 4.356 -1.682 1.00 0.96 C ATOM 1368 CE1 TYR A 713 0.658 4.844 -3.845 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -1.432 4.095 -2.962 1.00 1.50 C ATOM 1370 CZ TYR A 713 -0.597 4.343 -4.043 1.00 2.20 C ATOM 1371 OH TYR A 713 -1.053 4.084 -5.317 1.00 2.95 O ATOM 0 H TYR A 713 0.336 3.032 1.253 1.00 0.21 H new ATOM 0 HA TYR A 713 2.441 3.866 -0.465 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.059 5.086 0.630 1.00 0.32 H new ATOM 0 HB3 TYR A 713 1.159 6.170 -0.013 1.00 0.32 H new ATOM 0 HD1 TYR A 713 2.097 5.497 -2.416 1.00 1.81 H new ATOM 0 HD2 TYR A 713 -1.625 4.162 -0.840 1.00 0.96 H new ATOM 0 HE1 TYR A 713 1.302 5.038 -4.690 1.00 2.50 H new ATOM 0 HE2 TYR A 713 -2.426 3.702 -3.119 1.00 1.50 H new ATOM 0 HH TYR A 713 -0.297 3.846 -5.893 1.00 2.95 H new ATOM 1381 N GLN A 714 2.438 4.997 2.638 1.00 0.24 N ATOM 1382 CA GLN A 714 3.264 5.622 3.671 1.00 0.28 C ATOM 1383 C GLN A 714 4.561 4.841 3.866 1.00 0.23 C ATOM 1384 O GLN A 714 5.610 5.407 4.182 1.00 0.26 O ATOM 1385 CB GLN A 714 2.485 5.683 4.986 1.00 0.36 C ATOM 1386 CG GLN A 714 3.181 6.466 6.085 1.00 0.65 C ATOM 1387 CD GLN A 714 2.237 6.814 7.217 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.122 6.088 8.205 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.530 7.920 7.063 1.00 1.98 N ATOM 0 H GLN A 714 1.544 4.642 2.977 1.00 0.24 H new ATOM 0 HA GLN A 714 3.516 6.634 3.354 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.510 6.132 4.797 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.306 4.667 5.337 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.015 5.882 6.475 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.601 7.382 5.668 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.656 8.494 6.229 1.00 1.98 H new ATOM 0 HE22 GLN A 714 0.859 8.200 7.778 1.00 1.98 H new ATOM 1398 N LYS A 715 4.488 3.544 3.620 1.00 0.21 N ATOM 1399 CA LYS A 715 5.629 2.672 3.814 1.00 0.22 C ATOM 1400 C LYS A 715 6.518 2.733 2.582 1.00 0.20 C ATOM 1401 O LYS A 715 7.738 2.636 2.682 1.00 0.23 O ATOM 1402 CB LYS A 715 5.176 1.233 4.094 1.00 0.27 C ATOM 1403 CG LYS A 715 6.317 0.251 4.342 1.00 0.61 C ATOM 1404 CD LYS A 715 7.108 0.586 5.600 1.00 0.86 C ATOM 1405 CE LYS A 715 8.168 -0.467 5.903 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.570 -1.777 6.278 1.00 1.67 N ATOM 0 H LYS A 715 3.648 3.073 3.285 1.00 0.21 H new ATOM 0 HA LYS A 715 6.196 3.009 4.682 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.518 1.234 4.963 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.586 0.880 3.249 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.913 -0.758 4.428 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.988 0.253 3.483 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.586 1.558 5.480 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.426 0.668 6.446 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.807 -0.598 5.030 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.805 -0.115 6.714 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.237 -2.304 6.877 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.686 -1.618 6.802 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.369 -2.326 5.418 1.00 1.67 H new ATOM 1420 N ALA A 716 5.898 2.899 1.418 1.00 0.17 N ATOM 1421 CA ALA A 716 6.636 3.143 0.188 1.00 0.18 C ATOM 1422 C ALA A 716 7.407 4.452 0.293 1.00 0.21 C ATOM 1423 O ALA A 716 8.603 4.516 -0.020 1.00 0.25 O ATOM 1424 CB ALA A 716 5.687 3.179 -1.003 1.00 0.21 C ATOM 0 H ALA A 716 4.885 2.869 1.303 1.00 0.17 H new ATOM 0 HA ALA A 716 7.345 2.329 0.037 1.00 0.18 H new ATOM 0 HB1 ALA A 716 6.255 3.362 -1.915 1.00 0.21 H new ATOM 0 HB2 ALA A 716 5.169 2.224 -1.084 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.958 3.977 -0.863 1.00 0.21 H new ATOM 1430 N GLU A 717 6.718 5.494 0.751 1.00 0.24 N ATOM 1431 CA GLU A 717 7.347 6.784 0.962 1.00 0.32 C ATOM 1432 C GLU A 717 8.475 6.665 1.969 1.00 0.31 C ATOM 1433 O GLU A 717 9.567 7.181 1.744 1.00 0.33 O ATOM 1434 CB GLU A 717 6.334 7.816 1.446 1.00 0.45 C ATOM 1435 CG GLU A 717 5.247 8.132 0.438 1.00 1.26 C ATOM 1436 CD GLU A 717 4.460 9.361 0.825 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.546 10.382 0.112 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.735 9.303 1.840 1.00 2.04 O ATOM 0 H GLU A 717 5.725 5.465 0.981 1.00 0.24 H new ATOM 0 HA GLU A 717 7.752 7.117 0.006 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.870 7.453 2.363 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.860 8.737 1.698 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.695 8.282 -0.544 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.572 7.280 0.353 1.00 1.26 H new ATOM 1445 N GLU A 718 8.204 5.983 3.080 1.00 0.31 N ATOM 1446 CA GLU A 718 9.224 5.742 4.087 1.00 0.36 C ATOM 1447 C GLU A 718 10.403 4.992 3.480 1.00 0.33 C ATOM 1448 O GLU A 718 11.551 5.341 3.725 1.00 0.36 O ATOM 1449 CB GLU A 718 8.654 4.956 5.268 1.00 0.43 C ATOM 1450 CG GLU A 718 9.695 4.606 6.318 1.00 1.06 C ATOM 1451 CD GLU A 718 9.099 3.954 7.545 1.00 1.46 C ATOM 1452 OE1 GLU A 718 9.039 4.605 8.608 1.00 1.75 O ATOM 1453 OE2 GLU A 718 8.664 2.794 7.448 1.00 2.20 O ATOM 0 H GLU A 718 7.289 5.591 3.301 1.00 0.31 H new ATOM 0 HA GLU A 718 9.570 6.709 4.454 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.860 5.540 5.734 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.199 4.037 4.898 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.434 3.936 5.880 1.00 1.06 H new ATOM 0 HG3 GLU A 718 10.223 5.512 6.615 1.00 1.06 H new ATOM 1460 N ALA A 719 10.108 3.973 2.679 1.00 0.28 N ATOM 1461 CA ALA A 719 11.143 3.200 2.006 1.00 0.29 C ATOM 1462 C ALA A 719 12.086 4.107 1.229 1.00 0.30 C ATOM 1463 O ALA A 719 13.298 4.065 1.424 1.00 0.37 O ATOM 1464 CB ALA A 719 10.527 2.160 1.079 1.00 0.28 C ATOM 0 H ALA A 719 9.157 3.663 2.480 1.00 0.28 H new ATOM 0 HA ALA A 719 11.720 2.682 2.772 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.320 1.595 0.588 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.903 1.480 1.659 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.917 2.659 0.326 1.00 0.28 H new ATOM 1470 N TRP A 720 11.527 4.941 0.360 1.00 0.26 N ATOM 1471 CA TRP A 720 12.348 5.827 -0.464 1.00 0.28 C ATOM 1472 C TRP A 720 12.997 6.942 0.362 1.00 0.33 C ATOM 1473 O TRP A 720 14.149 7.304 0.123 1.00 0.36 O ATOM 1474 CB TRP A 720 11.524 6.424 -1.611 1.00 0.29 C ATOM 1475 CG TRP A 720 10.960 5.382 -2.537 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.571 4.222 -2.928 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.686 5.406 -3.201 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.752 3.517 -3.772 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.593 4.221 -3.960 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.614 6.306 -3.226 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.475 3.915 -4.730 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.506 6.000 -3.994 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.443 4.814 -4.736 1.00 0.45 C ATOM 0 H TRP A 720 10.522 5.024 0.207 1.00 0.26 H new ATOM 0 HA TRP A 720 13.150 5.220 -0.885 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.706 7.013 -1.195 1.00 0.29 H new ATOM 0 HB3 TRP A 720 12.151 7.109 -2.183 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.556 3.907 -2.617 1.00 0.31 H new ATOM 0 HE1 TRP A 720 10.971 2.614 -4.192 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.652 7.222 -2.656 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.423 3.001 -5.302 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.674 6.688 -4.022 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.562 4.604 -5.325 1.00 0.45 H new ATOM 1494 N ALA A 721 12.277 7.463 1.348 1.00 0.39 N ATOM 1495 CA ALA A 721 12.763 8.602 2.125 1.00 0.49 C ATOM 1496 C ALA A 721 13.858 8.190 3.105 1.00 0.57 C ATOM 1497 O ALA A 721 14.807 8.934 3.341 1.00 0.64 O ATOM 1498 CB ALA A 721 11.617 9.267 2.872 1.00 0.58 C ATOM 0 H ALA A 721 11.359 7.119 1.629 1.00 0.39 H new ATOM 0 HA ALA A 721 13.193 9.316 1.423 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.998 10.113 3.445 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.872 9.619 2.158 1.00 0.58 H new ATOM 0 HB3 ALA A 721 11.158 8.547 3.550 1.00 0.58 H new ATOM 1504 N GLN A 722 13.724 6.994 3.660 1.00 0.64 N ATOM 1505 CA GLN A 722 14.649 6.496 4.673 1.00 0.84 C ATOM 1506 C GLN A 722 16.021 6.180 4.075 1.00 0.87 C ATOM 1507 O GLN A 722 16.998 5.979 4.797 1.00 1.25 O ATOM 1508 CB GLN A 722 14.051 5.249 5.327 1.00 1.18 C ATOM 1509 CG GLN A 722 14.872 4.677 6.467 1.00 1.44 C ATOM 1510 CD GLN A 722 14.228 3.453 7.092 1.00 1.91 C ATOM 1511 OE1 GLN A 722 12.904 3.399 7.082 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 14.918 2.560 7.581 1.00 2.33 N flip ATOM 0 H GLN A 722 12.975 6.343 3.424 1.00 0.64 H new ATOM 0 HA GLN A 722 14.795 7.273 5.424 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.056 5.492 5.700 1.00 1.18 H new ATOM 0 HB3 GLN A 722 13.926 4.480 4.565 1.00 1.18 H new ATOM 0 HG2 GLN A 722 15.864 4.414 6.099 1.00 1.44 H new ATOM 0 HG3 GLN A 722 15.008 5.442 7.232 1.00 1.44 H new ATOM 0 HE21 GLN A 722 15.935 2.637 7.570 1.00 2.33 H new ATOM 0 HE22 GLN A 722 14.473 1.742 7.998 1.00 2.33 H new ATOM 1521 N MET A 723 16.100 6.175 2.753 1.00 0.99 N ATOM 1522 CA MET A 723 17.338 5.833 2.066 1.00 1.31 C ATOM 1523 C MET A 723 18.326 6.992 2.079 1.00 1.98 C ATOM 1524 O MET A 723 19.375 6.936 1.437 1.00 2.42 O ATOM 1525 CB MET A 723 17.053 5.384 0.638 1.00 1.25 C ATOM 1526 CG MET A 723 16.204 4.131 0.586 1.00 0.96 C ATOM 1527 SD MET A 723 16.911 2.782 1.554 1.00 1.60 S ATOM 1528 CE MET A 723 15.501 1.684 1.688 1.00 2.19 C ATOM 0 H MET A 723 15.322 6.404 2.134 1.00 0.99 H new ATOM 0 HA MET A 723 17.797 5.005 2.606 1.00 1.31 H new ATOM 0 HB2 MET A 723 16.545 6.186 0.102 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.996 5.203 0.122 1.00 1.25 H new ATOM 0 HG2 MET A 723 15.205 4.357 0.958 1.00 0.96 H new ATOM 0 HG3 MET A 723 16.094 3.812 -0.451 1.00 0.96 H new ATOM 0 HE1 MET A 723 15.806 0.668 1.437 1.00 2.19 H new ATOM 0 HE2 MET A 723 15.118 1.706 2.708 1.00 2.19 H new ATOM 0 HE3 MET A 723 14.720 2.009 1.000 1.00 2.19 H new ATOM 1538 N GLU A 724 17.984 8.044 2.811 1.00 2.33 N ATOM 1539 CA GLU A 724 18.908 9.140 3.049 1.00 3.03 C ATOM 1540 C GLU A 724 19.935 8.726 4.098 1.00 3.35 C ATOM 1541 O GLU A 724 21.000 9.326 4.221 1.00 3.82 O ATOM 1542 CB GLU A 724 18.154 10.387 3.508 1.00 3.31 C ATOM 1543 CG GLU A 724 17.343 10.184 4.777 1.00 3.60 C ATOM 1544 CD GLU A 724 16.645 11.449 5.221 1.00 4.24 C ATOM 1545 OE1 GLU A 724 15.752 11.926 4.492 1.00 4.88 O ATOM 1546 OE2 GLU A 724 16.979 11.966 6.307 1.00 4.47 O ATOM 0 H GLU A 724 17.071 8.160 3.250 1.00 2.33 H new ATOM 0 HA GLU A 724 19.423 9.377 2.118 1.00 3.03 H new ATOM 0 HB2 GLU A 724 18.870 11.193 3.671 1.00 3.31 H new ATOM 0 HB3 GLU A 724 17.486 10.710 2.710 1.00 3.31 H new ATOM 0 HG2 GLU A 724 16.602 9.402 4.611 1.00 3.60 H new ATOM 0 HG3 GLU A 724 18.000 9.836 5.574 1.00 3.60 H new ATOM 1553 N GLU A 725 19.597 7.686 4.853 1.00 3.48 N ATOM 1554 CA GLU A 725 20.493 7.147 5.861 1.00 4.01 C ATOM 1555 C GLU A 725 21.313 6.009 5.265 1.00 4.63 C ATOM 1556 O GLU A 725 22.379 6.289 4.684 1.00 5.05 O ATOM 1557 CB GLU A 725 19.702 6.655 7.074 1.00 4.09 C ATOM 1558 CG GLU A 725 18.943 7.757 7.795 1.00 4.80 C ATOM 1559 CD GLU A 725 18.099 7.225 8.933 1.00 5.11 C ATOM 1560 OE1 GLU A 725 16.936 6.833 8.689 1.00 5.31 O ATOM 1561 OE2 GLU A 725 18.589 7.210 10.080 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.878 4.843 5.359 1.00 5.02 O ATOM 0 H GLU A 725 18.703 7.200 4.783 1.00 3.48 H new ATOM 0 HA GLU A 725 21.168 7.937 6.192 1.00 4.01 H new ATOM 0 HB2 GLU A 725 18.995 5.891 6.750 1.00 4.09 H new ATOM 0 HB3 GLU A 725 20.387 6.179 7.775 1.00 4.09 H new ATOM 0 HG2 GLU A 725 19.651 8.489 8.183 1.00 4.80 H new ATOM 0 HG3 GLU A 725 18.303 8.279 7.084 1.00 4.80 H new TER 1569 GLU A 725