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 642 ASN : amide:sc= 1.75 K(o=0.93,f=-3.7) USER MOD Set 1.2: A 648 THR OG1 : rot -111:sc= 1.22 USER MOD Set 1.3: A 710 ASN :FLIP amide:sc= -1.48 F(o=-1.2!,f=0.93) USER MOD Set 1.4: A 714 GLN : amide:sc= -0.552 K(o=0.93,f=-6.7!) USER MOD Set 2.1: A 694 THR OG1 : rot 64:sc= 0.571 USER MOD Set 2.2: A 695 GLN : amide:sc= -0.112 K(o=0.46,f=-5.4!) USER MOD Set 3.1: A 693 TYR OH : rot 30:sc= 0.708 USER MOD Set 3.2: A 715 LYS NZ :NH3+ -150:sc= 0.726 (180deg=-0.331) USER MOD Set 4.1: A 665 TYR OH : rot 90:sc= -1.31 USER MOD Set 4.2: A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 659 MET CE :methyl -143:sc= 0 (180deg=0) USER MOD Set 5.2: A 705 LYS NZ :NH3+ -118:sc= 1.08 (180deg=0.118) USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 625 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 626 MET CE :methyl -163:sc= -0.102 (180deg=-0.529) USER MOD Single : A 627 SER OG : rot 42:sc= 0.0678 USER MOD Single : A 631 CYS SG : rot 180:sc= 0.154 USER MOD Single : A 632 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 639 HIS : no HD1:sc=-0.00899 X(o=-0.009,f=0) USER MOD Single : A 641 TYR OH : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 647 MET CE :methyl -162:sc= -0.131 (180deg=-0.598) USER MOD Single : A 650 CYS SG : rot 180:sc= 0 USER MOD Single : A 656 TYR OH : rot 180:sc= 0 USER MOD Single : A 660 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 667 MET CE :methyl 162:sc= -0.0615 (180deg=-0.452) USER MOD Single : A 674 MET CE :methyl -168:sc= -0.0582 (180deg=-0.313) USER MOD Single : A 677 THR OG1 : rot -32:sc= 0.194 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ -172:sc= 1.11 (180deg=0.894) USER MOD Single : A 687 GLN :FLIP amide:sc= 0.557 F(o=-0.75,f=0.56) USER MOD Single : A 689 SER OG : rot 59:sc= -1.2! USER MOD Single : A 701 MET CE :methyl -134:sc= 0 (180deg=-1.9) USER MOD Single : A 704 MET CE :methyl -114:sc= -0.43 (180deg=-2.32) USER MOD Single : A 711 GLN :FLIP amide:sc= -0.0197 F(o=-1.4!,f=-0.02) USER MOD Single : A 712 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 713 TYR OH : rot -96:sc= 1.23 USER MOD Single : A 722 GLN :FLIP amide:sc= -0.242 F(o=-1,f=-0.24) USER MOD Single : A 723 MET CE :methyl -139:sc= -0.705 (180deg=-2.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 -17.110 -0.625 15.798 1.00 15.53 N ATOM 2 CA GLY A 623 -16.542 -1.953 16.132 1.00 15.09 C ATOM 3 C GLY A 623 -17.081 -3.042 15.233 1.00 14.39 C ATOM 4 O GLY A 623 -17.619 -2.750 14.162 1.00 14.22 O ATOM 0 HA2 GLY A 623 -15.456 -1.915 16.045 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -16.770 -2.194 17.170 1.00 15.09 H new ATOM 10 N SER A 624 -16.934 -4.294 15.668 1.00 14.14 N ATOM 11 CA SER A 624 -17.407 -5.450 14.908 1.00 13.65 C ATOM 12 C SER A 624 -16.740 -5.500 13.535 1.00 12.93 C ATOM 13 O SER A 624 -17.392 -5.793 12.531 1.00 12.90 O ATOM 14 CB SER A 624 -18.932 -5.401 14.756 1.00 13.94 C ATOM 15 OG SER A 624 -19.569 -5.297 16.019 1.00 14.35 O ATOM 0 H SER A 624 -16.486 -4.534 16.552 1.00 14.14 H new ATOM 0 HA SER A 624 -17.139 -6.354 15.455 1.00 13.65 H new ATOM 0 HB2 SER A 624 -19.211 -4.551 14.134 1.00 13.94 H new ATOM 0 HB3 SER A 624 -19.278 -6.299 14.244 1.00 13.94 H new ATOM 0 HG SER A 624 -20.540 -5.266 15.894 1.00 14.35 H new ATOM 21 N HIS A 625 -15.432 -5.232 13.517 1.00 12.51 N ATOM 22 CA HIS A 625 -14.664 -5.118 12.277 1.00 11.96 C ATOM 23 C HIS A 625 -15.143 -3.921 11.465 1.00 11.32 C ATOM 24 O HIS A 625 -16.184 -3.981 10.809 1.00 11.18 O ATOM 25 CB HIS A 625 -14.759 -6.397 11.430 1.00 11.96 C ATOM 26 CG HIS A 625 -14.156 -7.606 12.075 1.00 12.45 C ATOM 27 ND1 HIS A 625 -14.888 -8.723 12.410 1.00 12.80 N ATOM 28 CD2 HIS A 625 -12.879 -7.879 12.430 1.00 12.83 C ATOM 29 CE1 HIS A 625 -14.092 -9.627 12.941 1.00 13.34 C ATOM 30 NE2 HIS A 625 -12.866 -9.143 12.965 1.00 13.37 N ATOM 0 H HIS A 625 -14.877 -5.088 14.361 1.00 12.51 H new ATOM 0 HA HIS A 625 -13.619 -4.974 12.551 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -15.808 -6.599 11.214 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -14.264 -6.224 10.474 1.00 11.96 H new ATOM 0 HD2 HIS A 625 -12.028 -7.224 12.314 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -14.393 -10.601 13.297 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -12.043 -9.628 13.322 1.00 13.37 H new ATOM 39 N MET A 626 -14.381 -2.835 11.513 1.00 11.11 N ATOM 40 CA MET A 626 -14.727 -1.619 10.785 1.00 10.60 C ATOM 41 C MET A 626 -14.465 -1.797 9.294 1.00 9.72 C ATOM 42 O MET A 626 -13.532 -1.219 8.735 1.00 9.78 O ATOM 43 CB MET A 626 -13.930 -0.424 11.320 1.00 11.28 C ATOM 44 CG MET A 626 -14.245 -0.076 12.765 1.00 11.91 C ATOM 45 SD MET A 626 -15.983 0.338 13.025 1.00 12.79 S ATOM 46 CE MET A 626 -16.158 1.764 11.954 1.00 13.30 C ATOM 0 H MET A 626 -13.516 -2.771 12.050 1.00 11.11 H new ATOM 0 HA MET A 626 -15.789 -1.424 10.934 1.00 10.60 H new ATOM 0 HB2 MET A 626 -12.865 -0.640 11.232 1.00 11.28 H new ATOM 0 HB3 MET A 626 -14.132 0.445 10.694 1.00 11.28 H new ATOM 0 HG2 MET A 626 -13.978 -0.919 13.403 1.00 11.91 H new ATOM 0 HG3 MET A 626 -13.626 0.766 13.074 1.00 11.91 H new ATOM 0 HE1 MET A 626 -17.061 2.312 12.222 1.00 13.30 H new ATOM 0 HE2 MET A 626 -15.291 2.415 12.070 1.00 13.30 H new ATOM 0 HE3 MET A 626 -16.228 1.434 10.917 1.00 13.30 H new ATOM 56 N SER A 627 -15.296 -2.605 8.663 1.00 9.08 N ATOM 57 CA SER A 627 -15.161 -2.907 7.252 1.00 8.35 C ATOM 58 C SER A 627 -15.819 -1.824 6.400 1.00 7.32 C ATOM 59 O SER A 627 -17.027 -1.600 6.498 1.00 7.21 O ATOM 60 CB SER A 627 -15.789 -4.272 6.965 1.00 8.70 C ATOM 61 OG SER A 627 -17.023 -4.416 7.654 1.00 9.26 O ATOM 0 H SER A 627 -16.083 -3.070 9.115 1.00 9.08 H new ATOM 0 HA SER A 627 -14.102 -2.936 6.994 1.00 8.35 H new ATOM 0 HB2 SER A 627 -15.951 -4.384 5.893 1.00 8.70 H new ATOM 0 HB3 SER A 627 -15.104 -5.063 7.268 1.00 8.70 H new ATOM 0 HG SER A 627 -17.532 -3.581 7.591 1.00 9.26 H new ATOM 67 N PRO A 628 -15.034 -1.121 5.567 1.00 6.76 N ATOM 68 CA PRO A 628 -15.563 -0.112 4.654 1.00 5.93 C ATOM 69 C PRO A 628 -16.277 -0.747 3.464 1.00 5.48 C ATOM 70 O PRO A 628 -15.720 -0.839 2.371 1.00 5.24 O ATOM 71 CB PRO A 628 -14.324 0.659 4.176 1.00 5.90 C ATOM 72 CG PRO A 628 -13.169 0.118 4.952 1.00 6.58 C ATOM 73 CD PRO A 628 -13.576 -1.240 5.450 1.00 7.14 C ATOM 0 HA PRO A 628 -16.300 0.524 5.144 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -14.171 0.523 3.105 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -14.441 1.729 4.348 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -12.280 0.049 4.324 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -12.921 0.776 5.785 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -13.289 -2.028 4.754 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -13.111 -1.475 6.408 1.00 7.14 H new ATOM 81 N ASP A 629 -17.508 -1.188 3.684 1.00 5.68 N ATOM 82 CA ASP A 629 -18.296 -1.809 2.622 1.00 5.52 C ATOM 83 C ASP A 629 -18.785 -0.752 1.639 1.00 4.87 C ATOM 84 O ASP A 629 -19.155 -1.055 0.505 1.00 4.76 O ATOM 85 CB ASP A 629 -19.483 -2.585 3.204 1.00 6.23 C ATOM 86 CG ASP A 629 -20.253 -3.352 2.146 1.00 6.68 C ATOM 87 OD1 ASP A 629 -21.339 -2.892 1.737 1.00 7.07 O ATOM 88 OD2 ASP A 629 -19.778 -4.424 1.719 1.00 6.91 O ATOM 0 H ASP A 629 -17.984 -1.129 4.584 1.00 5.68 H new ATOM 0 HA ASP A 629 -17.656 -2.514 2.091 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -19.121 -3.281 3.961 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -20.156 -1.890 3.706 1.00 6.23 H new ATOM 93 N ARG A 630 -18.767 0.495 2.081 1.00 4.79 N ATOM 94 CA ARG A 630 -19.141 1.616 1.236 1.00 4.57 C ATOM 95 C ARG A 630 -17.972 1.998 0.337 1.00 4.10 C ATOM 96 O ARG A 630 -16.856 2.216 0.819 1.00 4.34 O ATOM 97 CB ARG A 630 -19.543 2.817 2.092 1.00 5.38 C ATOM 98 CG ARG A 630 -20.685 2.536 3.050 1.00 5.89 C ATOM 99 CD ARG A 630 -20.966 3.733 3.940 1.00 6.81 C ATOM 100 NE ARG A 630 -19.812 4.085 4.769 1.00 7.37 N ATOM 101 CZ ARG A 630 -19.850 4.189 6.097 1.00 8.27 C ATOM 102 NH1 ARG A 630 -20.960 3.885 6.761 1.00 8.70 N ATOM 103 NH2 ARG A 630 -18.766 4.565 6.764 1.00 8.95 N ATOM 0 H ARG A 630 -18.495 0.757 3.028 1.00 4.79 H new ATOM 0 HA ARG A 630 -19.991 1.321 0.621 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -18.676 3.150 2.663 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -19.827 3.640 1.436 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -21.582 2.282 2.485 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -20.441 1.671 3.667 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -21.242 4.587 3.322 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -21.820 3.515 4.582 1.00 6.81 H new ATOM 0 HE ARG A 630 -18.923 4.262 4.301 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -21.787 3.571 6.254 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -20.985 3.966 7.777 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -17.904 4.774 6.260 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -18.795 4.645 7.780 1.00 8.95 H new ATOM 117 N CYS A 631 -18.221 2.085 -0.962 1.00 3.77 N ATOM 118 CA CYS A 631 -17.181 2.454 -1.916 1.00 3.49 C ATOM 119 C CYS A 631 -16.962 3.964 -1.912 1.00 3.17 C ATOM 120 O CYS A 631 -17.120 4.641 -2.927 1.00 3.32 O ATOM 121 CB CYS A 631 -17.541 1.957 -3.319 1.00 3.72 C ATOM 122 SG CYS A 631 -19.241 2.314 -3.817 1.00 4.38 S ATOM 0 H CYS A 631 -19.134 1.905 -1.381 1.00 3.77 H new ATOM 0 HA CYS A 631 -16.249 1.976 -1.615 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -16.860 2.411 -4.039 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -17.380 0.880 -3.363 1.00 3.72 H new ATOM 0 HG CYS A 631 -19.447 1.857 -5.017 1.00 4.38 H new ATOM 128 N GLN A 632 -16.599 4.479 -0.747 1.00 3.10 N ATOM 129 CA GLN A 632 -16.332 5.899 -0.572 1.00 3.01 C ATOM 130 C GLN A 632 -15.304 6.113 0.536 1.00 2.97 C ATOM 131 O GLN A 632 -14.415 6.957 0.420 1.00 2.93 O ATOM 132 CB GLN A 632 -17.623 6.661 -0.249 1.00 3.40 C ATOM 133 CG GLN A 632 -18.323 6.186 1.014 1.00 3.70 C ATOM 134 CD GLN A 632 -19.472 7.087 1.422 1.00 4.22 C ATOM 135 OE1 GLN A 632 -20.130 7.702 0.581 1.00 4.67 O ATOM 136 NE2 GLN A 632 -19.716 7.176 2.719 1.00 4.57 N ATOM 0 H GLN A 632 -16.481 3.926 0.102 1.00 3.10 H new ATOM 0 HA GLN A 632 -15.929 6.287 -1.507 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -17.391 7.721 -0.146 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -18.309 6.565 -1.090 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -18.698 5.175 0.858 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -17.600 6.136 1.828 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -19.147 6.650 3.382 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -20.473 7.771 3.056 1.00 4.57 H new ATOM 145 N ASP A 633 -15.421 5.319 1.597 1.00 3.23 N ATOM 146 CA ASP A 633 -14.556 5.442 2.764 1.00 3.48 C ATOM 147 C ASP A 633 -13.093 5.209 2.414 1.00 3.00 C ATOM 148 O ASP A 633 -12.216 5.950 2.864 1.00 3.13 O ATOM 149 CB ASP A 633 -14.990 4.459 3.853 1.00 4.11 C ATOM 150 CG ASP A 633 -16.334 4.813 4.453 1.00 4.69 C ATOM 151 OD1 ASP A 633 -17.368 4.546 3.809 1.00 5.22 O ATOM 152 OD2 ASP A 633 -16.364 5.356 5.578 1.00 4.94 O ATOM 0 H ASP A 633 -16.115 4.576 1.671 1.00 3.23 H new ATOM 0 HA ASP A 633 -14.654 6.463 3.134 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -15.037 3.454 3.433 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -14.238 4.440 4.641 1.00 4.11 H new ATOM 157 N TRP A 634 -12.820 4.198 1.598 1.00 2.60 N ATOM 158 CA TRP A 634 -11.440 3.875 1.270 1.00 2.30 C ATOM 159 C TRP A 634 -10.878 4.874 0.263 1.00 1.84 C ATOM 160 O TRP A 634 -9.665 5.049 0.160 1.00 1.69 O ATOM 161 CB TRP A 634 -11.287 2.422 0.780 1.00 2.47 C ATOM 162 CG TRP A 634 -11.997 2.082 -0.500 1.00 2.40 C ATOM 163 CD1 TRP A 634 -13.234 1.515 -0.631 1.00 2.72 C ATOM 164 CD2 TRP A 634 -11.491 2.253 -1.830 1.00 2.37 C ATOM 165 NE1 TRP A 634 -13.528 1.330 -1.960 1.00 2.82 N ATOM 166 CE2 TRP A 634 -12.476 1.775 -2.715 1.00 2.72 C ATOM 167 CE3 TRP A 634 -10.304 2.768 -2.361 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -12.309 1.799 -4.099 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -10.140 2.789 -3.733 1.00 2.88 C ATOM 170 CH2 TRP A 634 -11.137 2.308 -4.588 1.00 3.28 C ATOM 0 H TRP A 634 -13.520 3.600 1.160 1.00 2.60 H new ATOM 0 HA TRP A 634 -10.855 3.955 2.186 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -10.225 2.213 0.650 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -11.650 1.755 1.562 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -13.885 1.251 0.190 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -14.391 0.926 -2.325 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -9.528 3.143 -1.710 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -13.077 1.429 -4.761 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -9.226 3.184 -4.152 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -10.978 2.339 -5.656 1.00 3.28 H new ATOM 181 N LEU A 635 -11.768 5.555 -0.451 1.00 1.89 N ATOM 182 CA LEU A 635 -11.359 6.616 -1.367 1.00 2.05 C ATOM 183 C LEU A 635 -10.849 7.805 -0.570 1.00 2.36 C ATOM 184 O LEU A 635 -9.857 8.438 -0.934 1.00 2.50 O ATOM 185 CB LEU A 635 -12.517 7.064 -2.269 1.00 2.45 C ATOM 186 CG LEU A 635 -12.939 6.078 -3.361 1.00 2.54 C ATOM 187 CD1 LEU A 635 -13.652 4.879 -2.770 1.00 2.83 C ATOM 188 CD2 LEU A 635 -13.824 6.770 -4.384 1.00 3.12 C ATOM 0 H LEU A 635 -12.774 5.393 -0.414 1.00 1.89 H new ATOM 0 HA LEU A 635 -10.568 6.222 -2.005 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -13.383 7.270 -1.639 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -12.238 8.004 -2.745 1.00 2.45 H new ATOM 0 HG LEU A 635 -12.038 5.721 -3.860 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -13.940 4.196 -3.570 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -12.986 4.365 -2.076 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -14.544 5.211 -2.238 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -14.116 6.056 -5.154 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -14.716 7.157 -3.891 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -13.276 7.594 -4.842 1.00 3.12 H new ATOM 200 N GLU A 636 -11.535 8.094 0.529 1.00 2.71 N ATOM 201 CA GLU A 636 -11.120 9.153 1.433 1.00 3.25 C ATOM 202 C GLU A 636 -9.783 8.801 2.067 1.00 3.07 C ATOM 203 O GLU A 636 -8.878 9.630 2.146 1.00 3.33 O ATOM 204 CB GLU A 636 -12.168 9.362 2.521 1.00 3.85 C ATOM 205 CG GLU A 636 -13.541 9.717 1.985 1.00 4.37 C ATOM 206 CD GLU A 636 -14.496 10.127 3.082 1.00 4.88 C ATOM 207 OE1 GLU A 636 -14.925 9.247 3.853 1.00 5.12 O ATOM 208 OE2 GLU A 636 -14.832 11.325 3.173 1.00 5.37 O ATOM 0 H GLU A 636 -12.384 7.606 0.814 1.00 2.71 H new ATOM 0 HA GLU A 636 -11.015 10.076 0.863 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -12.245 8.454 3.118 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -11.832 10.155 3.189 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -13.448 10.530 1.264 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -13.952 8.861 1.449 1.00 4.37 H new ATOM 215 N ALA A 637 -9.665 7.551 2.495 1.00 2.79 N ATOM 216 CA ALA A 637 -8.430 7.050 3.085 1.00 2.78 C ATOM 217 C ALA A 637 -7.276 7.173 2.098 1.00 2.28 C ATOM 218 O ALA A 637 -6.147 7.481 2.477 1.00 2.44 O ATOM 219 CB ALA A 637 -8.608 5.605 3.514 1.00 2.89 C ATOM 0 H ALA A 637 -10.415 6.861 2.444 1.00 2.79 H new ATOM 0 HA ALA A 637 -8.194 7.651 3.963 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -7.680 5.239 3.954 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -9.409 5.540 4.251 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -8.863 4.997 2.646 1.00 2.89 H new ATOM 225 N LEU A 638 -7.583 6.941 0.827 1.00 1.83 N ATOM 226 CA LEU A 638 -6.606 7.063 -0.246 1.00 1.65 C ATOM 227 C LEU A 638 -6.126 8.514 -0.369 1.00 2.09 C ATOM 228 O LEU A 638 -4.978 8.773 -0.727 1.00 2.25 O ATOM 229 CB LEU A 638 -7.246 6.599 -1.565 1.00 1.61 C ATOM 230 CG LEU A 638 -6.328 5.861 -2.550 1.00 1.61 C ATOM 231 CD1 LEU A 638 -5.174 6.742 -3.002 1.00 2.00 C ATOM 232 CD2 LEU A 638 -5.810 4.575 -1.929 1.00 1.99 C ATOM 0 H LEU A 638 -8.513 6.664 0.513 1.00 1.83 H new ATOM 0 HA LEU A 638 -5.742 6.437 -0.022 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -8.085 5.946 -1.326 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -7.657 7.473 -2.071 1.00 1.61 H new ATOM 0 HG LEU A 638 -6.916 5.611 -3.433 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -4.544 6.188 -3.698 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -5.567 7.631 -3.496 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -4.583 7.040 -2.136 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -5.161 4.064 -2.640 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -5.246 4.808 -1.026 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -6.651 3.929 -1.675 1.00 1.99 H new ATOM 244 N HIS A 639 -7.005 9.453 -0.045 1.00 2.51 N ATOM 245 CA HIS A 639 -6.706 10.871 -0.193 1.00 3.15 C ATOM 246 C HIS A 639 -5.835 11.371 0.959 1.00 3.32 C ATOM 247 O HIS A 639 -4.984 12.239 0.774 1.00 3.71 O ATOM 248 CB HIS A 639 -8.011 11.675 -0.260 1.00 3.69 C ATOM 249 CG HIS A 639 -7.822 13.140 -0.524 1.00 4.41 C ATOM 250 ND1 HIS A 639 -7.882 13.691 -1.786 1.00 4.97 N ATOM 251 CD2 HIS A 639 -7.587 14.172 0.323 1.00 4.95 C ATOM 252 CE1 HIS A 639 -7.689 14.994 -1.704 1.00 5.62 C ATOM 253 NE2 HIS A 639 -7.509 15.310 -0.438 1.00 5.61 N ATOM 0 H HIS A 639 -7.935 9.257 0.324 1.00 2.51 H new ATOM 0 HA HIS A 639 -6.151 11.011 -1.121 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -8.643 11.255 -1.043 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -8.547 11.554 0.681 1.00 3.69 H new ATOM 0 HD2 HIS A 639 -7.481 14.110 1.396 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -7.680 15.684 -2.534 1.00 5.62 H new ATOM 0 HE2 HIS A 639 -7.339 16.250 -0.081 1.00 5.61 H new ATOM 262 N TRP A 640 -6.044 10.810 2.140 1.00 3.17 N ATOM 263 CA TRP A 640 -5.344 11.263 3.336 1.00 3.45 C ATOM 264 C TRP A 640 -4.053 10.483 3.575 1.00 2.97 C ATOM 265 O TRP A 640 -3.456 10.588 4.649 1.00 3.21 O ATOM 266 CB TRP A 640 -6.249 11.168 4.569 1.00 3.97 C ATOM 267 CG TRP A 640 -7.385 12.150 4.553 1.00 4.43 C ATOM 268 CD1 TRP A 640 -8.645 11.934 4.078 1.00 4.57 C ATOM 269 CD2 TRP A 640 -7.364 13.501 5.035 1.00 5.16 C ATOM 270 NE1 TRP A 640 -9.407 13.065 4.229 1.00 5.35 N ATOM 271 CE2 TRP A 640 -8.646 14.040 4.814 1.00 5.75 C ATOM 272 CE3 TRP A 640 -6.390 14.311 5.631 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -8.979 15.344 5.166 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -6.725 15.607 5.979 1.00 6.48 C ATOM 275 CH2 TRP A 640 -8.008 16.112 5.746 1.00 7.07 C ATOM 0 H TRP A 640 -6.693 10.039 2.298 1.00 3.17 H new ATOM 0 HA TRP A 640 -5.078 12.307 3.170 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -6.653 10.158 4.637 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -5.649 11.332 5.464 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -8.993 11.007 3.646 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -10.383 13.163 3.950 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -5.396 13.931 5.816 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -9.969 15.736 4.987 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -5.982 16.241 6.439 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -8.236 17.129 6.030 1.00 7.07 H new ATOM 286 N TYR A 641 -3.639 9.684 2.594 1.00 2.48 N ATOM 287 CA TYR A 641 -2.406 8.909 2.718 1.00 2.29 C ATOM 288 C TYR A 641 -1.226 9.850 2.980 1.00 2.37 C ATOM 289 O TYR A 641 -1.180 10.966 2.457 1.00 2.80 O ATOM 290 CB TYR A 641 -2.150 8.053 1.461 1.00 2.57 C ATOM 291 CG TYR A 641 -1.426 8.774 0.344 1.00 2.91 C ATOM 292 CD1 TYR A 641 -0.058 8.644 0.171 1.00 3.42 C ATOM 293 CD2 TYR A 641 -2.124 9.594 -0.535 1.00 3.41 C ATOM 294 CE1 TYR A 641 0.598 9.310 -0.845 1.00 4.14 C ATOM 295 CE2 TYR A 641 -1.476 10.261 -1.554 1.00 4.25 C ATOM 296 CZ TYR A 641 -0.080 10.078 -1.708 1.00 4.51 C ATOM 297 OH TYR A 641 0.533 10.781 -2.719 1.00 5.50 O ATOM 0 H TYR A 641 -4.134 9.556 1.711 1.00 2.48 H new ATOM 0 HA TYR A 641 -2.513 8.227 3.561 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -1.569 7.176 1.747 1.00 2.57 H new ATOM 0 HB3 TYR A 641 -3.106 7.692 1.083 1.00 2.57 H new ATOM 0 HD1 TYR A 641 0.505 8.011 0.842 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -3.191 9.711 -0.418 1.00 3.41 H new ATOM 0 HE1 TYR A 641 1.669 9.211 -0.945 1.00 4.14 H new ATOM 0 HE2 TYR A 641 -2.023 10.910 -2.222 1.00 4.25 H new ATOM 0 HH TYR A 641 -0.142 11.273 -3.231 1.00 5.50 H new ATOM 307 N ASN A 642 -0.283 9.403 3.794 1.00 2.55 N ATOM 308 CA ASN A 642 0.816 10.257 4.223 1.00 2.95 C ATOM 309 C ASN A 642 2.055 9.999 3.381 1.00 2.85 C ATOM 310 O ASN A 642 2.421 8.850 3.137 1.00 3.27 O ATOM 311 CB ASN A 642 1.126 10.017 5.702 1.00 3.71 C ATOM 312 CG ASN A 642 -0.111 10.131 6.576 1.00 4.38 C ATOM 313 OD1 ASN A 642 -0.805 9.142 6.807 1.00 4.86 O ATOM 314 ND2 ASN A 642 -0.406 11.330 7.059 1.00 4.90 N ATOM 0 H ASN A 642 -0.255 8.456 4.171 1.00 2.55 H new ATOM 0 HA ASN A 642 0.516 11.296 4.088 1.00 2.95 H new ATOM 0 HB2 ASN A 642 1.564 9.026 5.823 1.00 3.71 H new ATOM 0 HB3 ASN A 642 1.872 10.738 6.036 1.00 3.71 H new ATOM 0 HD21 ASN A 642 -1.232 11.455 7.644 1.00 4.90 H new ATOM 0 HD22 ASN A 642 0.193 12.127 6.846 1.00 4.90 H new ATOM 321 N THR A 643 2.705 11.068 2.952 1.00 2.87 N ATOM 322 CA THR A 643 3.869 10.966 2.093 1.00 3.35 C ATOM 323 C THR A 643 5.166 10.907 2.900 1.00 3.70 C ATOM 324 O THR A 643 6.058 11.735 2.715 1.00 4.43 O ATOM 325 CB THR A 643 3.929 12.147 1.108 1.00 4.03 C ATOM 326 OG1 THR A 643 3.604 13.368 1.792 1.00 4.46 O ATOM 327 CG2 THR A 643 2.970 11.937 -0.050 1.00 4.33 C ATOM 0 H THR A 643 2.442 12.025 3.188 1.00 2.87 H new ATOM 0 HA THR A 643 3.770 10.036 1.534 1.00 3.35 H new ATOM 0 HB THR A 643 4.941 12.210 0.709 1.00 4.03 H new ATOM 0 HG1 THR A 643 3.645 14.117 1.161 1.00 4.46 H new ATOM 0 HG21 THR A 643 3.031 12.785 -0.732 1.00 4.33 H new ATOM 0 HG22 THR A 643 3.237 11.024 -0.582 1.00 4.33 H new ATOM 0 HG23 THR A 643 1.952 11.851 0.331 1.00 4.33 H new ATOM 335 N ALA A 644 5.236 9.936 3.816 1.00 3.58 N ATOM 336 CA ALA A 644 6.455 9.628 4.583 1.00 4.14 C ATOM 337 C ALA A 644 6.824 10.708 5.604 1.00 5.22 C ATOM 338 O ALA A 644 7.578 10.445 6.541 1.00 5.98 O ATOM 339 CB ALA A 644 7.628 9.379 3.649 1.00 3.76 C ATOM 0 H ALA A 644 4.445 9.336 4.050 1.00 3.58 H new ATOM 0 HA ALA A 644 6.232 8.723 5.148 1.00 4.14 H new ATOM 0 HB1 ALA A 644 8.519 9.153 4.236 1.00 3.76 H new ATOM 0 HB2 ALA A 644 7.401 8.537 2.996 1.00 3.76 H new ATOM 0 HB3 ALA A 644 7.807 10.268 3.045 1.00 3.76 H new ATOM 345 N LEU A 645 6.309 11.913 5.419 1.00 5.58 N ATOM 346 CA LEU A 645 6.621 13.024 6.311 1.00 6.84 C ATOM 347 C LEU A 645 5.846 12.904 7.617 1.00 7.35 C ATOM 348 O LEU A 645 6.209 13.506 8.626 1.00 8.01 O ATOM 349 CB LEU A 645 6.312 14.356 5.627 1.00 7.29 C ATOM 350 CG LEU A 645 7.171 14.669 4.398 1.00 7.38 C ATOM 351 CD1 LEU A 645 6.669 15.924 3.703 1.00 7.91 C ATOM 352 CD2 LEU A 645 8.633 14.833 4.793 1.00 7.94 C ATOM 0 H LEU A 645 5.672 12.149 4.658 1.00 5.58 H new ATOM 0 HA LEU A 645 7.685 12.989 6.543 1.00 6.84 H new ATOM 0 HB2 LEU A 645 5.264 14.359 5.329 1.00 7.29 H new ATOM 0 HB3 LEU A 645 6.439 15.158 6.354 1.00 7.29 H new ATOM 0 HG LEU A 645 7.092 13.832 3.704 1.00 7.38 H new ATOM 0 HD11 LEU A 645 7.291 16.131 2.832 1.00 7.91 H new ATOM 0 HD12 LEU A 645 5.637 15.776 3.385 1.00 7.91 H new ATOM 0 HD13 LEU A 645 6.718 16.766 4.393 1.00 7.91 H new ATOM 0 HD21 LEU A 645 9.227 15.055 3.906 1.00 7.94 H new ATOM 0 HD22 LEU A 645 8.727 15.651 5.507 1.00 7.94 H new ATOM 0 HD23 LEU A 645 8.992 13.910 5.249 1.00 7.94 H new ATOM 364 N GLU A 646 4.780 12.126 7.586 1.00 7.22 N ATOM 365 CA GLU A 646 3.977 11.877 8.768 1.00 7.76 C ATOM 366 C GLU A 646 3.985 10.391 9.086 1.00 8.33 C ATOM 367 O GLU A 646 4.338 9.576 8.234 1.00 8.43 O ATOM 368 CB GLU A 646 2.543 12.352 8.538 1.00 7.59 C ATOM 369 CG GLU A 646 2.432 13.824 8.180 1.00 7.98 C ATOM 370 CD GLU A 646 1.012 14.235 7.862 1.00 8.43 C ATOM 371 OE1 GLU A 646 0.351 14.839 8.735 1.00 8.62 O ATOM 372 OE2 GLU A 646 0.543 13.946 6.739 1.00 8.80 O ATOM 0 H GLU A 646 4.448 11.652 6.746 1.00 7.22 H new ATOM 0 HA GLU A 646 4.399 12.428 9.609 1.00 7.76 H new ATOM 0 HB2 GLU A 646 2.098 11.759 7.739 1.00 7.59 H new ATOM 0 HB3 GLU A 646 1.959 12.162 9.439 1.00 7.59 H new ATOM 0 HG2 GLU A 646 2.804 14.426 9.009 1.00 7.98 H new ATOM 0 HG3 GLU A 646 3.069 14.035 7.321 1.00 7.98 H new ATOM 379 N MET A 647 3.606 10.041 10.303 1.00 8.91 N ATOM 380 CA MET A 647 3.518 8.641 10.696 1.00 9.60 C ATOM 381 C MET A 647 2.143 8.342 11.281 1.00 9.81 C ATOM 382 O MET A 647 1.758 8.886 12.317 1.00 10.24 O ATOM 383 CB MET A 647 4.630 8.270 11.689 1.00 10.34 C ATOM 384 CG MET A 647 4.604 9.059 12.990 1.00 10.82 C ATOM 385 SD MET A 647 5.969 8.638 14.091 1.00 11.51 S ATOM 386 CE MET A 647 5.642 6.903 14.390 1.00 12.08 C ATOM 0 H MET A 647 3.354 10.704 11.036 1.00 8.91 H new ATOM 0 HA MET A 647 3.656 8.028 9.805 1.00 9.60 H new ATOM 0 HB2 MET A 647 4.552 7.208 11.921 1.00 10.34 H new ATOM 0 HB3 MET A 647 5.596 8.421 11.207 1.00 10.34 H new ATOM 0 HG2 MET A 647 4.641 10.125 12.764 1.00 10.82 H new ATOM 0 HG3 MET A 647 3.660 8.875 13.503 1.00 10.82 H new ATOM 0 HE1 MET A 647 6.185 6.578 15.278 1.00 12.08 H new ATOM 0 HE2 MET A 647 4.573 6.755 14.544 1.00 12.08 H new ATOM 0 HE3 MET A 647 5.969 6.318 13.531 1.00 12.08 H new ATOM 396 N THR A 648 1.386 7.511 10.585 1.00 9.65 N ATOM 397 CA THR A 648 0.057 7.136 11.032 1.00 9.89 C ATOM 398 C THR A 648 -0.096 5.621 11.119 1.00 10.52 C ATOM 399 O THR A 648 -0.012 4.910 10.112 1.00 10.68 O ATOM 400 CB THR A 648 -1.031 7.703 10.098 1.00 9.58 C ATOM 401 OG1 THR A 648 -0.765 7.312 8.745 1.00 9.43 O ATOM 402 CG2 THR A 648 -1.097 9.219 10.192 1.00 9.40 C ATOM 0 H THR A 648 1.671 7.082 9.705 1.00 9.65 H new ATOM 0 HA THR A 648 -0.070 7.563 12.027 1.00 9.89 H new ATOM 0 HB THR A 648 -1.993 7.298 10.412 1.00 9.58 H new ATOM 0 HG1 THR A 648 -0.504 8.099 8.222 1.00 9.43 H new ATOM 0 HG21 THR A 648 -1.873 9.592 9.523 1.00 9.40 H new ATOM 0 HG22 THR A 648 -1.331 9.510 11.216 1.00 9.40 H new ATOM 0 HG23 THR A 648 -0.135 9.644 9.904 1.00 9.40 H new ATOM 410 N ASP A 649 -0.293 5.139 12.333 1.00 11.04 N ATOM 411 CA ASP A 649 -0.593 3.735 12.578 1.00 11.77 C ATOM 412 C ASP A 649 -1.795 3.661 13.508 1.00 11.96 C ATOM 413 O ASP A 649 -1.772 2.993 14.543 1.00 12.46 O ATOM 414 CB ASP A 649 0.613 3.011 13.194 1.00 12.46 C ATOM 415 CG ASP A 649 1.811 2.959 12.263 1.00 13.07 C ATOM 416 OD1 ASP A 649 2.676 3.861 12.347 1.00 13.39 O ATOM 417 OD2 ASP A 649 1.900 2.014 11.445 1.00 13.37 O ATOM 0 H ASP A 649 -0.250 5.708 13.179 1.00 11.04 H new ATOM 0 HA ASP A 649 -0.818 3.239 11.634 1.00 11.77 H new ATOM 0 HB2 ASP A 649 0.899 3.514 14.118 1.00 12.46 H new ATOM 0 HB3 ASP A 649 0.323 1.995 13.461 1.00 12.46 H new ATOM 422 N CYS A 650 -2.843 4.372 13.126 1.00 11.69 N ATOM 423 CA CYS A 650 -3.996 4.577 13.985 1.00 11.94 C ATOM 424 C CYS A 650 -5.065 3.520 13.737 1.00 12.07 C ATOM 425 O CYS A 650 -6.007 3.745 12.973 1.00 12.15 O ATOM 426 CB CYS A 650 -4.578 5.972 13.741 1.00 11.96 C ATOM 427 SG CYS A 650 -3.342 7.292 13.746 1.00 12.13 S ATOM 0 H CYS A 650 -2.918 4.822 12.214 1.00 11.69 H new ATOM 0 HA CYS A 650 -3.669 4.491 15.021 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -5.096 5.976 12.782 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -5.324 6.183 14.507 1.00 11.96 H new ATOM 0 HG CYS A 650 -3.925 8.433 13.530 1.00 12.13 H new ATOM 433 N ASP A 651 -4.915 2.371 14.379 1.00 12.25 N ATOM 434 CA ASP A 651 -5.900 1.305 14.264 1.00 12.49 C ATOM 435 C ASP A 651 -5.775 0.325 15.423 1.00 12.81 C ATOM 436 O ASP A 651 -4.827 -0.457 15.486 1.00 12.82 O ATOM 437 CB ASP A 651 -5.739 0.555 12.940 1.00 12.51 C ATOM 438 CG ASP A 651 -6.827 -0.481 12.725 1.00 12.95 C ATOM 439 OD1 ASP A 651 -7.813 -0.185 12.016 1.00 13.19 O ATOM 440 OD2 ASP A 651 -6.714 -1.593 13.285 1.00 13.19 O ATOM 0 H ASP A 651 -4.123 2.153 14.984 1.00 12.25 H new ATOM 0 HA ASP A 651 -6.888 1.764 14.293 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -5.754 1.269 12.117 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -4.766 0.065 12.919 1.00 12.51 H new ATOM 445 N GLU A 652 -6.724 0.375 16.341 1.00 13.23 N ATOM 446 CA GLU A 652 -6.750 -0.551 17.463 1.00 13.69 C ATOM 447 C GLU A 652 -7.688 -1.712 17.151 1.00 13.73 C ATOM 448 O GLU A 652 -8.730 -1.871 17.789 1.00 14.19 O ATOM 449 CB GLU A 652 -7.207 0.165 18.736 1.00 14.37 C ATOM 450 CG GLU A 652 -6.322 1.333 19.138 1.00 14.63 C ATOM 451 CD GLU A 652 -4.875 0.932 19.330 1.00 15.07 C ATOM 452 OE1 GLU A 652 -4.015 1.402 18.555 1.00 15.16 O ATOM 453 OE2 GLU A 652 -4.591 0.139 20.254 1.00 15.45 O ATOM 0 H GLU A 652 -7.490 1.049 16.333 1.00 13.23 H new ATOM 0 HA GLU A 652 -5.743 -0.936 17.625 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -8.225 0.526 18.592 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -7.237 -0.554 19.555 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -6.381 2.108 18.374 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -6.700 1.768 20.063 1.00 14.63 H new ATOM 460 N GLY A 653 -7.319 -2.512 16.160 1.00 13.37 N ATOM 461 CA GLY A 653 -8.179 -3.591 15.718 1.00 13.46 C ATOM 462 C GLY A 653 -9.457 -3.061 15.105 1.00 12.98 C ATOM 463 O GLY A 653 -10.554 -3.517 15.432 1.00 13.22 O ATOM 0 H GLY A 653 -6.437 -2.432 15.653 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -7.650 -4.204 14.988 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -8.419 -4.237 16.563 1.00 13.46 H new ATOM 467 N GLY A 654 -9.311 -2.092 14.214 1.00 12.43 N ATOM 468 CA GLY A 654 -10.458 -1.398 13.676 1.00 12.06 C ATOM 469 C GLY A 654 -10.840 -1.852 12.284 1.00 11.36 C ATOM 470 O GLY A 654 -11.674 -2.745 12.121 1.00 11.43 O ATOM 0 H GLY A 654 -8.412 -1.774 13.853 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -11.307 -1.545 14.343 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -10.249 -0.328 13.656 1.00 12.06 H new ATOM 474 N GLU A 655 -10.216 -1.244 11.282 1.00 10.85 N ATOM 475 CA GLU A 655 -10.590 -1.443 9.884 1.00 10.24 C ATOM 476 C GLU A 655 -10.056 -2.759 9.330 1.00 9.73 C ATOM 477 O GLU A 655 -9.343 -2.787 8.323 1.00 9.57 O ATOM 478 CB GLU A 655 -10.082 -0.274 9.040 1.00 10.26 C ATOM 479 CG GLU A 655 -10.685 1.062 9.435 1.00 10.19 C ATOM 480 CD GLU A 655 -10.056 2.224 8.697 1.00 10.69 C ATOM 481 OE1 GLU A 655 -9.146 2.866 9.259 1.00 10.96 O ATOM 482 OE2 GLU A 655 -10.466 2.495 7.549 1.00 10.98 O ATOM 0 H GLU A 655 -9.437 -0.599 11.414 1.00 10.85 H new ATOM 0 HA GLU A 655 -11.678 -1.487 9.836 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -8.997 -0.215 9.130 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -10.305 -0.469 7.991 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -11.756 1.046 9.235 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -10.563 1.209 10.508 1.00 10.19 H new ATOM 489 N TYR A 656 -10.411 -3.847 9.989 1.00 9.64 N ATOM 490 CA TYR A 656 -10.026 -5.170 9.543 1.00 9.25 C ATOM 491 C TYR A 656 -11.196 -5.840 8.841 1.00 8.16 C ATOM 492 O TYR A 656 -12.284 -5.965 9.404 1.00 8.22 O ATOM 493 CB TYR A 656 -9.553 -6.027 10.721 1.00 10.13 C ATOM 494 CG TYR A 656 -9.072 -7.407 10.313 1.00 10.38 C ATOM 495 CD1 TYR A 656 -9.969 -8.459 10.177 1.00 10.66 C ATOM 496 CD2 TYR A 656 -7.725 -7.662 10.069 1.00 10.57 C ATOM 497 CE1 TYR A 656 -9.541 -9.721 9.812 1.00 11.10 C ATOM 498 CE2 TYR A 656 -7.292 -8.921 9.704 1.00 10.97 C ATOM 499 CZ TYR A 656 -8.177 -9.929 9.553 1.00 11.23 C ATOM 500 OH TYR A 656 -7.771 -11.201 9.214 1.00 11.80 O ATOM 0 H TYR A 656 -10.970 -3.837 10.842 1.00 9.64 H new ATOM 0 HA TYR A 656 -9.198 -5.071 8.842 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -8.745 -5.507 11.236 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -10.370 -6.132 11.434 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -11.019 -8.287 10.360 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -7.007 -6.861 10.167 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -10.245 -10.535 9.727 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -6.240 -9.100 9.538 1.00 10.97 H new ATOM 0 HH TYR A 656 -6.803 -11.205 9.060 1.00 11.80 H new ATOM 510 N ASP A 657 -10.965 -6.266 7.613 1.00 7.39 N ATOM 511 CA ASP A 657 -11.990 -6.927 6.824 1.00 6.44 C ATOM 512 C ASP A 657 -11.467 -8.242 6.261 1.00 6.09 C ATOM 513 O ASP A 657 -10.320 -8.328 5.819 1.00 6.31 O ATOM 514 CB ASP A 657 -12.457 -6.016 5.687 1.00 6.14 C ATOM 515 CG ASP A 657 -13.236 -6.769 4.627 1.00 5.90 C ATOM 516 OD1 ASP A 657 -14.474 -6.871 4.768 1.00 5.94 O ATOM 517 OD2 ASP A 657 -12.619 -7.238 3.648 1.00 6.00 O ATOM 0 H ASP A 657 -10.069 -6.165 7.136 1.00 7.39 H new ATOM 0 HA ASP A 657 -12.839 -7.140 7.474 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -13.080 -5.220 6.095 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -11.591 -5.539 5.228 1.00 6.14 H new ATOM 522 N GLY A 658 -12.308 -9.261 6.291 1.00 5.88 N ATOM 523 CA GLY A 658 -11.934 -10.551 5.761 1.00 5.75 C ATOM 524 C GLY A 658 -13.026 -11.154 4.900 1.00 4.80 C ATOM 525 O GLY A 658 -13.307 -12.348 4.997 1.00 5.02 O ATOM 0 H GLY A 658 -13.251 -9.216 6.677 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -11.023 -10.449 5.171 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -11.707 -11.228 6.584 1.00 5.75 H new ATOM 529 N MET A 659 -13.652 -10.326 4.060 1.00 3.98 N ATOM 530 CA MET A 659 -14.683 -10.814 3.140 1.00 3.13 C ATOM 531 C MET A 659 -14.104 -11.829 2.154 1.00 2.86 C ATOM 532 O MET A 659 -14.828 -12.657 1.599 1.00 2.97 O ATOM 533 CB MET A 659 -15.387 -9.652 2.410 1.00 2.88 C ATOM 534 CG MET A 659 -14.460 -8.598 1.816 1.00 2.45 C ATOM 535 SD MET A 659 -13.556 -9.153 0.358 1.00 2.41 S ATOM 536 CE MET A 659 -12.534 -7.719 0.031 1.00 2.25 C ATOM 0 H MET A 659 -13.466 -9.325 3.997 1.00 3.98 H new ATOM 0 HA MET A 659 -15.441 -11.326 3.734 1.00 3.13 H new ATOM 0 HB2 MET A 659 -16.000 -10.066 1.609 1.00 2.88 H new ATOM 0 HB3 MET A 659 -16.065 -9.163 3.110 1.00 2.88 H new ATOM 0 HG2 MET A 659 -15.048 -7.719 1.553 1.00 2.45 H new ATOM 0 HG3 MET A 659 -13.745 -8.287 2.578 1.00 2.45 H new ATOM 0 HE1 MET A 659 -12.440 -7.577 -1.046 1.00 2.25 H new ATOM 0 HE2 MET A 659 -12.994 -6.836 0.475 1.00 2.25 H new ATOM 0 HE3 MET A 659 -11.546 -7.870 0.465 1.00 2.25 H new ATOM 546 N GLN A 660 -12.795 -11.758 1.951 1.00 3.00 N ATOM 547 CA GLN A 660 -12.063 -12.770 1.208 1.00 3.07 C ATOM 548 C GLN A 660 -10.848 -13.195 2.015 1.00 2.63 C ATOM 549 O GLN A 660 -10.164 -12.354 2.604 1.00 3.22 O ATOM 550 CB GLN A 660 -11.618 -12.247 -0.160 1.00 3.99 C ATOM 551 CG GLN A 660 -12.761 -11.998 -1.132 1.00 4.68 C ATOM 552 CD GLN A 660 -12.287 -11.443 -2.461 1.00 5.55 C ATOM 553 OE1 GLN A 660 -11.096 -11.836 -2.885 1.00 6.02 O flip ATOM 554 NE2 GLN A 660 -12.994 -10.673 -3.111 1.00 6.10 N flip ATOM 0 H GLN A 660 -12.212 -10.996 2.298 1.00 3.00 H new ATOM 0 HA GLN A 660 -12.722 -13.622 1.041 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -11.066 -11.318 -0.020 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -10.928 -12.964 -0.604 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -13.297 -12.931 -1.303 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -13.469 -11.301 -0.683 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -13.906 -10.392 -2.752 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -12.667 -10.316 -4.009 1.00 6.10 H new ATOM 563 N ASP A 661 -10.582 -14.490 2.046 1.00 2.13 N ATOM 564 CA ASP A 661 -9.465 -15.019 2.817 1.00 2.09 C ATOM 565 C ASP A 661 -8.246 -15.210 1.928 1.00 1.75 C ATOM 566 O ASP A 661 -7.295 -15.907 2.288 1.00 1.98 O ATOM 567 CB ASP A 661 -9.848 -16.338 3.493 1.00 2.69 C ATOM 568 CG ASP A 661 -10.964 -16.169 4.505 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.672 -15.875 5.684 1.00 3.86 O ATOM 570 OD2 ASP A 661 -12.144 -16.326 4.127 1.00 3.59 O ATOM 0 H ASP A 661 -11.123 -15.196 1.547 1.00 2.13 H new ATOM 0 HA ASP A 661 -9.216 -14.297 3.595 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -10.157 -17.056 2.733 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -8.972 -16.756 3.989 1.00 2.69 H new ATOM 575 N GLU A 662 -8.290 -14.586 0.761 1.00 1.44 N ATOM 576 CA GLU A 662 -7.162 -14.580 -0.158 1.00 1.24 C ATOM 577 C GLU A 662 -6.644 -13.155 -0.317 1.00 1.00 C ATOM 578 O GLU A 662 -7.089 -12.421 -1.205 1.00 1.01 O ATOM 579 CB GLU A 662 -7.597 -15.123 -1.522 1.00 1.40 C ATOM 580 CG GLU A 662 -6.478 -15.194 -2.549 1.00 1.93 C ATOM 581 CD GLU A 662 -5.431 -16.226 -2.200 1.00 2.45 C ATOM 582 OE1 GLU A 662 -4.393 -15.859 -1.612 1.00 2.64 O ATOM 583 OE2 GLU A 662 -5.638 -17.417 -2.515 1.00 3.19 O ATOM 0 H GLU A 662 -9.104 -14.072 0.425 1.00 1.44 H new ATOM 0 HA GLU A 662 -6.370 -15.214 0.242 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -8.015 -16.120 -1.387 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -8.395 -14.493 -1.914 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -6.901 -15.428 -3.526 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -6.004 -14.216 -2.633 1.00 1.93 H new ATOM 590 N PRO A 663 -5.729 -12.719 0.555 1.00 0.86 N ATOM 591 CA PRO A 663 -5.143 -11.396 0.439 1.00 0.68 C ATOM 592 C PRO A 663 -4.006 -11.355 -0.581 1.00 0.57 C ATOM 593 O PRO A 663 -2.982 -12.016 -0.417 1.00 0.62 O ATOM 594 CB PRO A 663 -4.623 -11.126 1.848 1.00 0.69 C ATOM 595 CG PRO A 663 -4.304 -12.477 2.412 1.00 0.86 C ATOM 596 CD PRO A 663 -5.194 -13.474 1.703 1.00 0.97 C ATOM 0 HA PRO A 663 -5.858 -10.653 0.086 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -3.739 -10.489 1.827 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -5.371 -10.613 2.453 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -3.253 -12.721 2.258 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -4.482 -12.498 3.487 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -4.633 -14.350 1.378 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -5.992 -13.830 2.354 1.00 0.97 H new ATOM 604 N ARG A 664 -4.180 -10.561 -1.621 1.00 0.52 N ATOM 605 CA ARG A 664 -3.125 -10.335 -2.599 1.00 0.49 C ATOM 606 C ARG A 664 -2.145 -9.294 -2.074 1.00 0.35 C ATOM 607 O ARG A 664 -0.925 -9.454 -2.156 1.00 0.34 O ATOM 608 CB ARG A 664 -3.736 -9.883 -3.924 1.00 0.65 C ATOM 609 CG ARG A 664 -4.597 -10.950 -4.584 1.00 1.17 C ATOM 610 CD ARG A 664 -5.510 -10.353 -5.643 1.00 1.16 C ATOM 611 NE ARG A 664 -4.774 -9.567 -6.630 1.00 1.69 N ATOM 612 CZ ARG A 664 -5.253 -8.464 -7.202 1.00 2.17 C ATOM 613 NH1 ARG A 664 -6.484 -8.056 -6.920 1.00 2.20 N ATOM 614 NH2 ARG A 664 -4.505 -7.780 -8.061 1.00 3.16 N ATOM 0 H ARG A 664 -5.046 -10.058 -1.813 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.582 -11.265 -2.767 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -4.341 -8.993 -3.752 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -2.936 -9.598 -4.607 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -3.957 -11.706 -5.038 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -5.197 -11.454 -3.827 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -6.049 -11.154 -6.149 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -6.256 -9.721 -5.162 1.00 1.16 H new ATOM 0 HE ARG A 664 -3.841 -9.881 -6.896 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -7.060 -8.587 -6.267 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -6.854 -7.212 -7.356 1.00 2.20 H new ATOM 0 HH21 ARG A 664 -3.562 -8.100 -8.283 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -4.874 -6.935 -8.498 1.00 3.16 H new ATOM 628 N TYR A 665 -2.709 -8.248 -1.487 1.00 0.30 N ATOM 629 CA TYR A 665 -1.949 -7.114 -0.982 1.00 0.25 C ATOM 630 C TYR A 665 -0.963 -7.536 0.110 1.00 0.22 C ATOM 631 O TYR A 665 0.086 -6.921 0.278 1.00 0.22 O ATOM 632 CB TYR A 665 -2.918 -6.038 -0.462 1.00 0.27 C ATOM 633 CG TYR A 665 -3.940 -6.548 0.536 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.051 -7.273 0.119 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.791 -6.304 1.893 1.00 0.42 C ATOM 636 CE1 TYR A 665 -5.977 -7.745 1.027 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.717 -6.771 2.806 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.805 -7.492 2.368 1.00 0.64 C ATOM 639 OH TYR A 665 -6.721 -7.967 3.277 1.00 0.81 O ATOM 0 H TYR A 665 -3.716 -8.162 -1.347 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.359 -6.701 -1.800 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.340 -5.240 0.003 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.443 -5.599 -1.310 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.192 -7.470 -0.934 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.938 -5.740 2.241 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.832 -8.310 0.686 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.588 -6.571 3.859 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.451 -8.860 3.577 1.00 0.81 H new ATOM 649 N MET A 666 -1.289 -8.603 0.829 1.00 0.25 N ATOM 650 CA MET A 666 -0.423 -9.081 1.900 1.00 0.28 C ATOM 651 C MET A 666 0.792 -9.793 1.331 1.00 0.25 C ATOM 652 O MET A 666 1.889 -9.664 1.861 1.00 0.25 O ATOM 653 CB MET A 666 -1.174 -10.008 2.857 1.00 0.37 C ATOM 654 CG MET A 666 -2.161 -9.283 3.764 1.00 0.48 C ATOM 655 SD MET A 666 -3.001 -10.394 4.910 1.00 1.17 S ATOM 656 CE MET A 666 -4.116 -9.254 5.727 1.00 1.14 C ATOM 0 H MET A 666 -2.139 -9.150 0.692 1.00 0.25 H new ATOM 0 HA MET A 666 -0.090 -8.210 2.464 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.711 -10.758 2.276 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.451 -10.541 3.474 1.00 0.37 H new ATOM 0 HG2 MET A 666 -1.632 -8.516 4.330 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.903 -8.772 3.151 1.00 0.48 H new ATOM 0 HE1 MET A 666 -4.707 -9.792 6.468 1.00 1.14 H new ATOM 0 HE2 MET A 666 -3.539 -8.472 6.221 1.00 1.14 H new ATOM 0 HE3 MET A 666 -4.781 -8.804 4.990 1.00 1.14 H new ATOM 666 N MET A 667 0.607 -10.524 0.237 1.00 0.26 N ATOM 667 CA MET A 667 1.717 -11.225 -0.392 1.00 0.27 C ATOM 668 C MET A 667 2.665 -10.214 -1.016 1.00 0.23 C ATOM 669 O MET A 667 3.883 -10.293 -0.850 1.00 0.23 O ATOM 670 CB MET A 667 1.222 -12.198 -1.465 1.00 0.34 C ATOM 671 CG MET A 667 2.332 -13.046 -2.073 1.00 0.47 C ATOM 672 SD MET A 667 1.785 -14.006 -3.497 1.00 1.20 S ATOM 673 CE MET A 667 1.525 -12.706 -4.701 1.00 1.10 C ATOM 0 H MET A 667 -0.293 -10.645 -0.228 1.00 0.26 H new ATOM 0 HA MET A 667 2.238 -11.801 0.373 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.470 -12.856 -1.029 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.731 -11.634 -2.258 1.00 0.34 H new ATOM 0 HG2 MET A 667 3.154 -12.397 -2.374 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.722 -13.723 -1.313 1.00 0.47 H new ATOM 0 HE1 MET A 667 1.499 -13.137 -5.702 1.00 1.10 H new ATOM 0 HE2 MET A 667 0.579 -12.205 -4.497 1.00 1.10 H new ATOM 0 HE3 MET A 667 2.339 -11.984 -4.638 1.00 1.10 H new ATOM 683 N LEU A 668 2.082 -9.247 -1.718 1.00 0.21 N ATOM 684 CA LEU A 668 2.855 -8.185 -2.356 1.00 0.19 C ATOM 685 C LEU A 668 3.612 -7.368 -1.317 1.00 0.17 C ATOM 686 O LEU A 668 4.767 -6.993 -1.529 1.00 0.17 O ATOM 687 CB LEU A 668 1.947 -7.263 -3.179 1.00 0.21 C ATOM 688 CG LEU A 668 1.619 -7.732 -4.605 1.00 0.30 C ATOM 689 CD1 LEU A 668 0.960 -9.102 -4.614 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.722 -6.717 -5.290 1.00 0.80 C ATOM 0 H LEU A 668 1.074 -9.176 -1.860 1.00 0.21 H new ATOM 0 HA LEU A 668 3.573 -8.657 -3.026 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.010 -7.132 -2.637 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.419 -6.283 -3.241 1.00 0.21 H new ATOM 0 HG LEU A 668 2.559 -7.816 -5.151 1.00 0.30 H new ATOM 0 HD11 LEU A 668 0.745 -9.396 -5.641 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.631 -9.832 -4.161 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.031 -9.062 -4.046 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.494 -7.056 -6.300 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.204 -6.610 -4.725 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.231 -5.754 -5.337 1.00 0.80 H new ATOM 702 N ALA A 669 2.979 -7.125 -0.172 1.00 0.18 N ATOM 703 CA ALA A 669 3.601 -6.331 0.873 1.00 0.19 C ATOM 704 C ALA A 669 4.630 -7.159 1.627 1.00 0.20 C ATOM 705 O ALA A 669 5.635 -6.634 2.088 1.00 0.22 O ATOM 706 CB ALA A 669 2.557 -5.786 1.831 1.00 0.23 C ATOM 0 H ALA A 669 2.044 -7.465 0.051 1.00 0.18 H new ATOM 0 HA ALA A 669 4.107 -5.487 0.404 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.047 -5.195 2.605 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.854 -5.157 1.284 1.00 0.23 H new ATOM 0 HB3 ALA A 669 2.019 -6.614 2.293 1.00 0.23 H new ATOM 712 N ARG A 670 4.368 -8.458 1.747 1.00 0.22 N ATOM 713 CA ARG A 670 5.304 -9.374 2.383 1.00 0.26 C ATOM 714 C ARG A 670 6.591 -9.441 1.573 1.00 0.23 C ATOM 715 O ARG A 670 7.693 -9.395 2.126 1.00 0.25 O ATOM 716 CB ARG A 670 4.687 -10.767 2.495 1.00 0.33 C ATOM 717 CG ARG A 670 5.560 -11.770 3.226 1.00 0.41 C ATOM 718 CD ARG A 670 4.942 -13.155 3.204 1.00 0.83 C ATOM 719 NE ARG A 670 5.743 -14.127 3.945 1.00 1.62 N ATOM 720 CZ ARG A 670 5.510 -15.438 3.943 1.00 2.33 C ATOM 721 NH1 ARG A 670 4.508 -15.938 3.228 1.00 2.41 N ATOM 722 NH2 ARG A 670 6.280 -16.250 4.657 1.00 3.33 N ATOM 0 H ARG A 670 3.512 -8.899 1.410 1.00 0.22 H new ATOM 0 HA ARG A 670 5.529 -9.009 3.385 1.00 0.26 H new ATOM 0 HB2 ARG A 670 3.730 -10.689 3.011 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.479 -11.143 1.493 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.547 -11.802 2.764 1.00 0.41 H new ATOM 0 HG3 ARG A 670 5.702 -11.449 4.258 1.00 0.41 H new ATOM 0 HD2 ARG A 670 3.940 -13.111 3.631 1.00 0.83 H new ATOM 0 HD3 ARG A 670 4.834 -13.487 2.171 1.00 0.83 H new ATOM 0 HE ARG A 670 6.528 -13.780 4.497 1.00 1.62 H new ATOM 0 HH11 ARG A 670 3.914 -15.317 2.678 1.00 2.41 H new ATOM 0 HH12 ARG A 670 4.333 -16.943 3.229 1.00 2.41 H new ATOM 0 HH21 ARG A 670 7.050 -15.870 5.207 1.00 3.33 H new ATOM 0 HH22 ARG A 670 6.102 -17.254 4.656 1.00 3.33 H new ATOM 736 N GLU A 671 6.439 -9.532 0.255 1.00 0.22 N ATOM 737 CA GLU A 671 7.578 -9.526 -0.644 1.00 0.23 C ATOM 738 C GLU A 671 8.317 -8.200 -0.505 1.00 0.19 C ATOM 739 O GLU A 671 9.537 -8.166 -0.348 1.00 0.21 O ATOM 740 CB GLU A 671 7.106 -9.723 -2.089 1.00 0.30 C ATOM 741 CG GLU A 671 8.236 -9.929 -3.086 1.00 0.38 C ATOM 742 CD GLU A 671 8.795 -11.337 -3.060 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.539 -12.099 -4.018 1.00 1.89 O ATOM 744 OE2 GLU A 671 9.485 -11.694 -2.088 1.00 1.11 O ATOM 0 H GLU A 671 5.535 -9.611 -0.210 1.00 0.22 H new ATOM 0 HA GLU A 671 8.252 -10.343 -0.387 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.439 -10.584 -2.128 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.522 -8.854 -2.391 1.00 0.30 H new ATOM 0 HG2 GLU A 671 7.874 -9.706 -4.089 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.037 -9.221 -2.871 1.00 0.38 H new ATOM 751 N ALA A 672 7.553 -7.110 -0.525 1.00 0.17 N ATOM 752 CA ALA A 672 8.106 -5.772 -0.368 1.00 0.18 C ATOM 753 C ALA A 672 8.846 -5.627 0.962 1.00 0.20 C ATOM 754 O ALA A 672 9.905 -5.001 1.028 1.00 0.23 O ATOM 755 CB ALA A 672 6.999 -4.737 -0.469 1.00 0.21 C ATOM 0 H ALA A 672 6.541 -7.131 -0.650 1.00 0.17 H new ATOM 0 HA ALA A 672 8.826 -5.608 -1.170 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.422 -3.739 -0.350 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.517 -4.813 -1.444 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.262 -4.914 0.315 1.00 0.21 H new ATOM 761 N GLU A 673 8.283 -6.213 2.012 1.00 0.22 N ATOM 762 CA GLU A 673 8.873 -6.164 3.342 1.00 0.28 C ATOM 763 C GLU A 673 10.199 -6.909 3.359 1.00 0.28 C ATOM 764 O GLU A 673 11.200 -6.415 3.888 1.00 0.31 O ATOM 765 CB GLU A 673 7.915 -6.780 4.363 1.00 0.34 C ATOM 766 CG GLU A 673 8.399 -6.684 5.799 1.00 0.70 C ATOM 767 CD GLU A 673 7.461 -7.368 6.768 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.281 -6.960 6.849 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.896 -8.317 7.457 1.00 1.76 O ATOM 0 H GLU A 673 7.407 -6.734 1.965 1.00 0.22 H new ATOM 0 HA GLU A 673 9.053 -5.122 3.606 1.00 0.28 H new ATOM 0 HB2 GLU A 673 6.947 -6.285 4.283 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.758 -7.829 4.112 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.389 -7.133 5.877 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.502 -5.635 6.076 1.00 0.70 H new ATOM 776 N MET A 674 10.206 -8.091 2.754 1.00 0.27 N ATOM 777 CA MET A 674 11.416 -8.897 2.679 1.00 0.31 C ATOM 778 C MET A 674 12.454 -8.216 1.796 1.00 0.29 C ATOM 779 O MET A 674 13.653 -8.404 1.975 1.00 0.34 O ATOM 780 CB MET A 674 11.111 -10.304 2.152 1.00 0.36 C ATOM 781 CG MET A 674 10.352 -11.178 3.141 1.00 0.54 C ATOM 782 SD MET A 674 10.244 -12.900 2.612 1.00 0.60 S ATOM 783 CE MET A 674 9.318 -12.729 1.089 1.00 0.79 C ATOM 0 H MET A 674 9.389 -8.511 2.310 1.00 0.27 H new ATOM 0 HA MET A 674 11.819 -8.993 3.687 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.529 -10.220 1.234 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.048 -10.796 1.891 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.844 -11.131 4.112 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.346 -10.780 3.274 1.00 0.54 H new ATOM 0 HE1 MET A 674 8.986 -13.711 0.753 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.450 -12.092 1.260 1.00 0.79 H new ATOM 0 HE3 MET A 674 9.953 -12.280 0.325 1.00 0.79 H new ATOM 793 N LEU A 675 11.990 -7.420 0.847 1.00 0.26 N ATOM 794 CA LEU A 675 12.880 -6.664 -0.018 1.00 0.27 C ATOM 795 C LEU A 675 13.251 -5.319 0.602 1.00 0.30 C ATOM 796 O LEU A 675 14.106 -4.614 0.086 1.00 0.39 O ATOM 797 CB LEU A 675 12.217 -6.449 -1.375 1.00 0.27 C ATOM 798 CG LEU A 675 12.133 -7.693 -2.259 1.00 0.32 C ATOM 799 CD1 LEU A 675 11.161 -7.464 -3.393 1.00 0.53 C ATOM 800 CD2 LEU A 675 13.500 -8.051 -2.812 1.00 0.47 C ATOM 0 H LEU A 675 10.998 -7.280 0.656 1.00 0.26 H new ATOM 0 HA LEU A 675 13.798 -7.237 -0.146 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.209 -6.068 -1.213 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.767 -5.677 -1.913 1.00 0.27 H new ATOM 0 HG LEU A 675 11.777 -8.523 -1.649 1.00 0.32 H new ATOM 0 HD11 LEU A 675 11.111 -8.358 -4.015 1.00 0.53 H new ATOM 0 HD12 LEU A 675 10.173 -7.248 -2.987 1.00 0.53 H new ATOM 0 HD13 LEU A 675 11.498 -6.621 -3.996 1.00 0.53 H new ATOM 0 HD21 LEU A 675 13.418 -8.939 -3.438 1.00 0.47 H new ATOM 0 HD22 LEU A 675 13.880 -7.221 -3.407 1.00 0.47 H new ATOM 0 HD23 LEU A 675 14.185 -8.250 -1.988 1.00 0.47 H new ATOM 812 N PHE A 676 12.591 -4.952 1.689 1.00 0.30 N ATOM 813 CA PHE A 676 12.910 -3.704 2.369 1.00 0.37 C ATOM 814 C PHE A 676 13.985 -3.909 3.427 1.00 0.42 C ATOM 815 O PHE A 676 15.067 -3.331 3.348 1.00 0.46 O ATOM 816 CB PHE A 676 11.664 -3.089 3.014 1.00 0.44 C ATOM 817 CG PHE A 676 11.920 -1.734 3.614 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.869 -1.554 4.986 1.00 0.68 C ATOM 819 CD2 PHE A 676 12.210 -0.644 2.809 1.00 0.69 C ATOM 820 CE1 PHE A 676 12.100 -0.312 5.545 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.442 0.600 3.364 1.00 0.82 C ATOM 822 CZ PHE A 676 12.400 0.773 4.712 1.00 0.82 C ATOM 0 H PHE A 676 11.839 -5.493 2.117 1.00 0.30 H new ATOM 0 HA PHE A 676 13.290 -3.017 1.613 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.877 -3.005 2.264 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.295 -3.760 3.790 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.646 -2.394 5.627 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.255 -0.768 1.737 1.00 0.69 H new ATOM 0 HE1 PHE A 676 12.050 -0.179 6.616 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.658 1.441 2.722 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.598 1.745 5.139 1.00 0.82 H new ATOM 832 N THR A 677 13.688 -4.741 4.412 1.00 0.47 N ATOM 833 CA THR A 677 14.568 -4.898 5.557 1.00 0.57 C ATOM 834 C THR A 677 15.448 -6.138 5.419 1.00 0.65 C ATOM 835 O THR A 677 16.371 -6.353 6.208 1.00 0.89 O ATOM 836 CB THR A 677 13.755 -4.957 6.873 1.00 0.77 C ATOM 837 OG1 THR A 677 14.630 -4.954 8.006 1.00 1.45 O ATOM 838 CG2 THR A 677 12.862 -6.189 6.925 1.00 0.97 C ATOM 0 H THR A 677 12.846 -5.316 4.441 1.00 0.47 H new ATOM 0 HA THR A 677 15.220 -4.025 5.591 1.00 0.57 H new ATOM 0 HB THR A 677 13.121 -4.071 6.901 1.00 0.77 H new ATOM 0 HG1 THR A 677 15.467 -5.409 7.774 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.307 -6.197 7.863 1.00 0.97 H new ATOM 0 HG22 THR A 677 12.162 -6.167 6.089 1.00 0.97 H new ATOM 0 HG23 THR A 677 13.477 -7.087 6.860 1.00 0.97 H new ATOM 846 N GLY A 678 15.187 -6.936 4.396 1.00 0.61 N ATOM 847 CA GLY A 678 15.933 -8.162 4.211 1.00 0.76 C ATOM 848 C GLY A 678 15.134 -9.372 4.642 1.00 1.01 C ATOM 849 O GLY A 678 14.753 -9.489 5.808 1.00 1.40 O ATOM 0 H GLY A 678 14.472 -6.757 3.691 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.211 -8.264 3.162 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.859 -8.115 4.783 1.00 0.76 H new ATOM 853 N GLY A 679 14.874 -10.266 3.706 1.00 1.33 N ATOM 854 CA GLY A 679 14.064 -11.424 4.002 1.00 1.95 C ATOM 855 C GLY A 679 14.777 -12.719 3.703 1.00 1.80 C ATOM 856 O GLY A 679 16.006 -12.754 3.623 1.00 2.07 O ATOM 0 H GLY A 679 15.210 -10.211 2.745 1.00 1.33 H new ATOM 0 HA2 GLY A 679 13.779 -11.405 5.054 1.00 1.95 H new ATOM 0 HA3 GLY A 679 13.143 -11.377 3.421 1.00 1.95 H new ATOM 860 N TYR A 680 14.003 -13.777 3.516 1.00 1.93 N ATOM 861 CA TYR A 680 14.551 -15.107 3.288 1.00 2.05 C ATOM 862 C TYR A 680 15.067 -15.245 1.858 1.00 1.75 C ATOM 863 O TYR A 680 14.386 -15.789 0.988 1.00 2.00 O ATOM 864 CB TYR A 680 13.480 -16.165 3.571 1.00 2.63 C ATOM 865 CG TYR A 680 12.916 -16.094 4.973 1.00 3.13 C ATOM 866 CD1 TYR A 680 13.488 -16.818 6.011 1.00 3.63 C ATOM 867 CD2 TYR A 680 11.814 -15.298 5.256 1.00 3.37 C ATOM 868 CE1 TYR A 680 12.978 -16.748 7.293 1.00 4.26 C ATOM 869 CE2 TYR A 680 11.298 -15.224 6.535 1.00 3.94 C ATOM 870 CZ TYR A 680 11.882 -15.950 7.549 1.00 4.36 C ATOM 871 OH TYR A 680 11.373 -15.878 8.825 1.00 5.05 O ATOM 0 H TYR A 680 12.984 -13.740 3.518 1.00 1.93 H new ATOM 0 HA TYR A 680 15.391 -15.257 3.966 1.00 2.05 H new ATOM 0 HB2 TYR A 680 12.667 -16.048 2.855 1.00 2.63 H new ATOM 0 HB3 TYR A 680 13.907 -17.155 3.410 1.00 2.63 H new ATOM 0 HD1 TYR A 680 14.345 -17.445 5.813 1.00 3.63 H new ATOM 0 HD2 TYR A 680 11.353 -14.728 4.463 1.00 3.37 H new ATOM 0 HE1 TYR A 680 13.435 -17.315 8.091 1.00 4.26 H new ATOM 0 HE2 TYR A 680 10.441 -14.600 6.739 1.00 3.94 H new ATOM 0 HH TYR A 680 10.603 -15.272 8.836 1.00 5.05 H new ATOM 881 N GLY A 681 16.263 -14.723 1.617 1.00 1.41 N ATOM 882 CA GLY A 681 16.871 -14.828 0.304 1.00 1.29 C ATOM 883 C GLY A 681 16.553 -13.641 -0.582 1.00 1.11 C ATOM 884 O GLY A 681 16.907 -13.626 -1.761 1.00 1.20 O ATOM 0 H GLY A 681 16.824 -14.227 2.309 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.952 -14.915 0.414 1.00 1.29 H new ATOM 0 HA3 GLY A 681 16.525 -15.741 -0.180 1.00 1.29 H new ATOM 888 N LEU A 682 15.890 -12.644 -0.018 1.00 0.95 N ATOM 889 CA LEU A 682 15.524 -11.452 -0.770 1.00 0.84 C ATOM 890 C LEU A 682 16.485 -10.315 -0.450 1.00 0.76 C ATOM 891 O LEU A 682 16.661 -9.957 0.716 1.00 0.82 O ATOM 892 CB LEU A 682 14.084 -11.008 -0.458 1.00 0.88 C ATOM 893 CG LEU A 682 12.949 -11.892 -1.004 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.148 -12.193 -2.481 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.820 -13.181 -0.209 1.00 1.38 C ATOM 0 H LEU A 682 15.594 -12.635 0.958 1.00 0.95 H new ATOM 0 HA LEU A 682 15.585 -11.699 -1.830 1.00 0.84 H new ATOM 0 HB2 LEU A 682 13.975 -10.947 0.625 1.00 0.88 H new ATOM 0 HB3 LEU A 682 13.947 -10.000 -0.850 1.00 0.88 H new ATOM 0 HG LEU A 682 12.020 -11.333 -0.893 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.330 -12.819 -2.838 1.00 1.10 H new ATOM 0 HD12 LEU A 682 13.163 -11.260 -3.044 1.00 1.10 H new ATOM 0 HD13 LEU A 682 14.094 -12.716 -2.621 1.00 1.10 H new ATOM 0 HD21 LEU A 682 12.009 -13.783 -0.620 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.754 -13.740 -0.269 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.604 -12.946 0.833 1.00 1.38 H new ATOM 907 N GLU A 683 17.117 -9.773 -1.482 1.00 0.78 N ATOM 908 CA GLU A 683 18.009 -8.634 -1.321 1.00 0.79 C ATOM 909 C GLU A 683 17.195 -7.390 -0.997 1.00 0.68 C ATOM 910 O GLU A 683 16.145 -7.155 -1.591 1.00 0.78 O ATOM 911 CB GLU A 683 18.833 -8.418 -2.597 1.00 0.99 C ATOM 912 CG GLU A 683 19.741 -7.194 -2.557 1.00 1.48 C ATOM 913 CD GLU A 683 20.761 -7.245 -1.437 1.00 2.22 C ATOM 914 OE1 GLU A 683 20.481 -6.704 -0.345 1.00 2.83 O ATOM 915 OE2 GLU A 683 21.851 -7.816 -1.643 1.00 2.76 O ATOM 0 H GLU A 683 17.028 -10.105 -2.442 1.00 0.78 H new ATOM 0 HA GLU A 683 18.697 -8.832 -0.499 1.00 0.79 H new ATOM 0 HB2 GLU A 683 19.443 -9.303 -2.776 1.00 0.99 H new ATOM 0 HB3 GLU A 683 18.153 -8.324 -3.443 1.00 0.99 H new ATOM 0 HG2 GLU A 683 20.262 -7.104 -3.510 1.00 1.48 H new ATOM 0 HG3 GLU A 683 19.129 -6.299 -2.442 1.00 1.48 H new ATOM 922 N LYS A 684 17.676 -6.600 -0.056 1.00 0.64 N ATOM 923 CA LYS A 684 16.934 -5.435 0.387 1.00 0.59 C ATOM 924 C LYS A 684 17.174 -4.246 -0.538 1.00 0.52 C ATOM 925 O LYS A 684 18.147 -3.504 -0.405 1.00 0.69 O ATOM 926 CB LYS A 684 17.262 -5.087 1.842 1.00 0.70 C ATOM 927 CG LYS A 684 18.735 -4.830 2.125 1.00 0.85 C ATOM 928 CD LYS A 684 18.950 -4.393 3.563 1.00 0.94 C ATOM 929 CE LYS A 684 18.294 -3.047 3.841 1.00 1.09 C ATOM 930 NZ LYS A 684 18.892 -1.966 3.020 1.00 1.72 N ATOM 0 H LYS A 684 18.570 -6.742 0.413 1.00 0.64 H new ATOM 0 HA LYS A 684 15.873 -5.680 0.341 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.693 -4.201 2.125 1.00 0.70 H new ATOM 0 HB3 LYS A 684 16.922 -5.902 2.480 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.309 -5.735 1.928 1.00 0.85 H new ATOM 0 HG3 LYS A 684 19.109 -4.061 1.449 1.00 0.85 H new ATOM 0 HD2 LYS A 684 18.541 -5.145 4.238 1.00 0.94 H new ATOM 0 HD3 LYS A 684 20.018 -4.328 3.769 1.00 0.94 H new ATOM 0 HE2 LYS A 684 17.226 -3.113 3.634 1.00 1.09 H new ATOM 0 HE3 LYS A 684 18.399 -2.802 4.898 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 18.518 -1.047 3.331 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 19.926 -1.975 3.134 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 18.652 -2.117 2.019 1.00 1.72 H new ATOM 944 N ASP A 685 16.265 -4.081 -1.481 1.00 0.36 N ATOM 945 CA ASP A 685 16.328 -2.994 -2.443 1.00 0.32 C ATOM 946 C ASP A 685 15.160 -2.034 -2.218 1.00 0.27 C ATOM 947 O ASP A 685 14.023 -2.343 -2.582 1.00 0.26 O ATOM 948 CB ASP A 685 16.283 -3.542 -3.874 1.00 0.35 C ATOM 949 CG ASP A 685 16.385 -2.442 -4.911 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.511 -1.986 -5.192 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.336 -2.037 -5.453 1.00 1.68 O ATOM 0 H ASP A 685 15.461 -4.697 -1.602 1.00 0.36 H new ATOM 0 HA ASP A 685 17.267 -2.458 -2.304 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.100 -4.250 -4.016 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.354 -4.093 -4.021 1.00 0.35 H new ATOM 956 N PRO A 686 15.420 -0.864 -1.595 1.00 0.29 N ATOM 957 CA PRO A 686 14.377 0.133 -1.294 1.00 0.29 C ATOM 958 C PRO A 686 13.550 0.534 -2.518 1.00 0.25 C ATOM 959 O PRO A 686 12.377 0.891 -2.393 1.00 0.25 O ATOM 960 CB PRO A 686 15.172 1.338 -0.780 1.00 0.37 C ATOM 961 CG PRO A 686 16.424 0.752 -0.226 1.00 0.42 C ATOM 962 CD PRO A 686 16.747 -0.432 -1.103 1.00 0.37 C ATOM 0 HA PRO A 686 13.649 -0.261 -0.585 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.386 2.044 -1.583 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.617 1.883 -0.016 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.235 1.480 -0.238 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.287 0.445 0.811 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.410 -0.156 -1.923 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.245 -1.223 -0.543 1.00 0.37 H new ATOM 970 N GLN A 687 14.155 0.457 -3.697 1.00 0.25 N ATOM 971 CA GLN A 687 13.481 0.861 -4.925 1.00 0.27 C ATOM 972 C GLN A 687 12.358 -0.118 -5.264 1.00 0.23 C ATOM 973 O GLN A 687 11.194 0.280 -5.402 1.00 0.24 O ATOM 974 CB GLN A 687 14.480 0.945 -6.084 1.00 0.35 C ATOM 975 CG GLN A 687 15.654 1.879 -5.822 1.00 0.65 C ATOM 976 CD GLN A 687 15.237 3.325 -5.613 1.00 1.23 C ATOM 977 OE1 GLN A 687 14.191 3.759 -6.301 1.00 2.21 O flip ATOM 978 NE2 GLN A 687 15.873 4.057 -4.857 1.00 1.23 N flip ATOM 0 H GLN A 687 15.108 0.120 -3.829 1.00 0.25 H new ATOM 0 HA GLN A 687 13.047 1.849 -4.769 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.863 -0.054 -6.293 1.00 0.35 H new ATOM 0 HB3 GLN A 687 13.955 1.279 -6.979 1.00 0.35 H new ATOM 0 HG2 GLN A 687 16.195 1.533 -4.941 1.00 0.65 H new ATOM 0 HG3 GLN A 687 16.346 1.826 -6.662 1.00 0.65 H new ATOM 0 HE21 GLN A 687 16.673 3.688 -4.343 1.00 1.23 H new ATOM 0 HE22 GLN A 687 15.600 5.033 -4.744 1.00 1.23 H new ATOM 987 N ARG A 688 12.701 -1.399 -5.355 1.00 0.22 N ATOM 988 CA ARG A 688 11.720 -2.431 -5.660 1.00 0.23 C ATOM 989 C ARG A 688 10.760 -2.600 -4.490 1.00 0.18 C ATOM 990 O ARG A 688 9.582 -2.910 -4.678 1.00 0.20 O ATOM 991 CB ARG A 688 12.403 -3.767 -5.969 1.00 0.29 C ATOM 992 CG ARG A 688 11.425 -4.863 -6.361 1.00 0.70 C ATOM 993 CD ARG A 688 12.124 -6.174 -6.674 1.00 0.78 C ATOM 994 NE ARG A 688 11.163 -7.208 -7.058 1.00 1.67 N ATOM 995 CZ ARG A 688 11.293 -8.505 -6.778 1.00 2.16 C ATOM 996 NH1 ARG A 688 12.373 -8.953 -6.148 1.00 1.85 N ATOM 997 NH2 ARG A 688 10.342 -9.359 -7.135 1.00 3.24 N ATOM 0 H ARG A 688 13.651 -1.746 -5.222 1.00 0.22 H new ATOM 0 HA ARG A 688 11.163 -2.119 -6.543 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.120 -3.623 -6.777 1.00 0.29 H new ATOM 0 HB3 ARG A 688 12.969 -4.089 -5.095 1.00 0.29 H new ATOM 0 HG2 ARG A 688 10.713 -5.018 -5.551 1.00 0.70 H new ATOM 0 HG3 ARG A 688 10.853 -4.542 -7.231 1.00 0.70 H new ATOM 0 HD2 ARG A 688 12.841 -6.023 -7.481 1.00 0.78 H new ATOM 0 HD3 ARG A 688 12.689 -6.505 -5.803 1.00 0.78 H new ATOM 0 HE ARG A 688 10.335 -6.916 -7.577 1.00 1.67 H new ATOM 0 HH11 ARG A 688 13.110 -8.303 -5.875 1.00 1.85 H new ATOM 0 HH12 ARG A 688 12.465 -9.947 -5.937 1.00 1.85 H new ATOM 0 HH21 ARG A 688 9.512 -9.023 -7.623 1.00 3.24 H new ATOM 0 HH22 ARG A 688 10.441 -10.351 -6.921 1.00 3.24 H new ATOM 1011 N SER A 689 11.276 -2.387 -3.285 1.00 0.16 N ATOM 1012 CA SER A 689 10.462 -2.451 -2.085 1.00 0.17 C ATOM 1013 C SER A 689 9.263 -1.520 -2.211 1.00 0.15 C ATOM 1014 O SER A 689 8.121 -1.939 -2.006 1.00 0.16 O ATOM 1015 CB SER A 689 11.281 -2.075 -0.854 1.00 0.21 C ATOM 1016 OG SER A 689 10.526 -2.257 0.330 1.00 1.11 O ATOM 0 H SER A 689 12.258 -2.168 -3.117 1.00 0.16 H new ATOM 0 HA SER A 689 10.109 -3.476 -1.968 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.183 -2.685 -0.812 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.602 -1.036 -0.929 1.00 0.21 H new ATOM 0 HG SER A 689 10.247 -3.194 0.400 1.00 1.11 H new ATOM 1022 N GLY A 690 9.512 -0.266 -2.588 1.00 0.16 N ATOM 1023 CA GLY A 690 8.434 0.685 -2.716 1.00 0.18 C ATOM 1024 C GLY A 690 7.509 0.343 -3.859 1.00 0.17 C ATOM 1025 O GLY A 690 6.307 0.569 -3.771 1.00 0.19 O ATOM 0 H GLY A 690 10.439 0.101 -2.805 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.865 0.715 -1.787 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.847 1.682 -2.870 1.00 0.18 H new ATOM 1029 N ASP A 691 8.070 -0.222 -4.927 1.00 0.17 N ATOM 1030 CA ASP A 691 7.271 -0.610 -6.089 1.00 0.20 C ATOM 1031 C ASP A 691 6.252 -1.676 -5.701 1.00 0.18 C ATOM 1032 O ASP A 691 5.078 -1.592 -6.053 1.00 0.22 O ATOM 1033 CB ASP A 691 8.165 -1.123 -7.224 1.00 0.26 C ATOM 1034 CG ASP A 691 7.368 -1.515 -8.455 1.00 0.82 C ATOM 1035 OD1 ASP A 691 6.762 -0.621 -9.085 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.340 -2.718 -8.792 1.00 1.54 O ATOM 0 H ASP A 691 9.067 -0.420 -5.012 1.00 0.17 H new ATOM 0 HA ASP A 691 6.741 0.274 -6.444 1.00 0.20 H new ATOM 0 HB2 ASP A 691 8.886 -0.351 -7.492 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.735 -1.984 -6.874 1.00 0.26 H new ATOM 1041 N LEU A 692 6.691 -2.663 -4.944 1.00 0.16 N ATOM 1042 CA LEU A 692 5.789 -3.709 -4.498 1.00 0.16 C ATOM 1043 C LEU A 692 4.842 -3.198 -3.419 1.00 0.15 C ATOM 1044 O LEU A 692 3.707 -3.660 -3.320 1.00 0.16 O ATOM 1045 CB LEU A 692 6.569 -4.924 -4.017 1.00 0.20 C ATOM 1046 CG LEU A 692 7.091 -5.818 -5.139 1.00 0.48 C ATOM 1047 CD1 LEU A 692 8.159 -6.755 -4.619 1.00 1.35 C ATOM 1048 CD2 LEU A 692 5.945 -6.615 -5.742 1.00 0.73 C ATOM 0 H LEU A 692 7.655 -2.763 -4.627 1.00 0.16 H new ATOM 0 HA LEU A 692 5.180 -4.015 -5.349 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.413 -4.585 -3.416 1.00 0.20 H new ATOM 0 HB3 LEU A 692 5.929 -5.517 -3.363 1.00 0.20 H new ATOM 0 HG LEU A 692 7.532 -5.187 -5.911 1.00 0.48 H new ATOM 0 HD11 LEU A 692 8.519 -7.384 -5.433 1.00 1.35 H new ATOM 0 HD12 LEU A 692 8.988 -6.174 -4.216 1.00 1.35 H new ATOM 0 HD13 LEU A 692 7.740 -7.383 -3.833 1.00 1.35 H new ATOM 0 HD21 LEU A 692 6.325 -7.251 -6.542 1.00 0.73 H new ATOM 0 HD22 LEU A 692 5.488 -7.236 -4.971 1.00 0.73 H new ATOM 0 HD23 LEU A 692 5.199 -5.931 -6.146 1.00 0.73 H new ATOM 1060 N TYR A 693 5.294 -2.234 -2.622 1.00 0.15 N ATOM 1061 CA TYR A 693 4.417 -1.607 -1.637 1.00 0.17 C ATOM 1062 C TYR A 693 3.325 -0.785 -2.323 1.00 0.18 C ATOM 1063 O TYR A 693 2.181 -0.769 -1.869 1.00 0.20 O ATOM 1064 CB TYR A 693 5.197 -0.727 -0.650 1.00 0.21 C ATOM 1065 CG TYR A 693 5.672 -1.463 0.588 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.762 -2.081 1.437 1.00 0.59 C ATOM 1067 CD2 TYR A 693 7.021 -1.522 0.920 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.181 -2.738 2.579 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.448 -2.181 2.058 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.525 -2.786 2.884 1.00 1.05 C ATOM 1071 OH TYR A 693 6.947 -3.432 4.024 1.00 1.33 O ATOM 0 H TYR A 693 6.248 -1.874 -2.637 1.00 0.15 H new ATOM 0 HA TYR A 693 3.951 -2.412 -1.069 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.061 -0.302 -1.162 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.565 0.107 -0.345 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.709 -2.048 1.201 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.747 -1.045 0.278 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.460 -3.211 3.229 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.500 -2.222 2.299 1.00 0.96 H new ATOM 0 HH TYR A 693 6.328 -4.162 4.234 1.00 1.33 H new ATOM 1081 N THR A 694 3.667 -0.123 -3.426 1.00 0.19 N ATOM 1082 CA THR A 694 2.682 0.654 -4.165 1.00 0.22 C ATOM 1083 C THR A 694 1.704 -0.269 -4.876 1.00 0.20 C ATOM 1084 O THR A 694 0.497 -0.028 -4.875 1.00 0.21 O ATOM 1085 CB THR A 694 3.331 1.620 -5.184 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.329 0.945 -5.960 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.950 2.815 -4.479 1.00 0.31 C ATOM 0 H THR A 694 4.607 -0.110 -3.822 1.00 0.19 H new ATOM 0 HA THR A 694 2.148 1.262 -3.435 1.00 0.22 H new ATOM 0 HB THR A 694 2.546 1.975 -5.851 1.00 0.26 H new ATOM 0 HG1 THR A 694 3.906 0.243 -6.497 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.400 3.480 -5.217 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.178 3.353 -3.929 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.717 2.471 -3.785 1.00 0.31 H new ATOM 1095 N GLN A 695 2.223 -1.352 -5.447 1.00 0.19 N ATOM 1096 CA GLN A 695 1.379 -2.344 -6.095 1.00 0.20 C ATOM 1097 C GLN A 695 0.464 -2.981 -5.058 1.00 0.17 C ATOM 1098 O GLN A 695 -0.710 -3.259 -5.323 1.00 0.18 O ATOM 1099 CB GLN A 695 2.228 -3.420 -6.782 1.00 0.25 C ATOM 1100 CG GLN A 695 2.523 -3.176 -8.265 1.00 0.85 C ATOM 1101 CD GLN A 695 3.335 -1.915 -8.556 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.172 -0.878 -7.913 1.00 2.09 O ATOM 1103 NE2 GLN A 695 4.239 -2.001 -9.522 1.00 2.13 N ATOM 0 H GLN A 695 3.221 -1.562 -5.473 1.00 0.19 H new ATOM 0 HA GLN A 695 0.779 -1.850 -6.859 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.175 -3.506 -6.250 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.719 -4.379 -6.683 1.00 0.25 H new ATOM 0 HG2 GLN A 695 3.061 -4.037 -8.661 1.00 0.85 H new ATOM 0 HG3 GLN A 695 1.578 -3.115 -8.804 1.00 0.85 H new ATOM 0 HE21 GLN A 695 4.352 -2.873 -10.038 1.00 2.13 H new ATOM 0 HE22 GLN A 695 4.821 -1.195 -9.749 1.00 2.13 H new ATOM 1112 N ALA A 696 1.014 -3.203 -3.867 1.00 0.16 N ATOM 1113 CA ALA A 696 0.242 -3.715 -2.750 1.00 0.16 C ATOM 1114 C ALA A 696 -0.846 -2.732 -2.340 1.00 0.16 C ATOM 1115 O ALA A 696 -1.947 -3.146 -1.988 1.00 0.16 O ATOM 1116 CB ALA A 696 1.146 -4.032 -1.568 1.00 0.18 C ATOM 0 H ALA A 696 1.997 -3.034 -3.655 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.239 -4.638 -3.073 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.545 -4.414 -0.743 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.879 -4.783 -1.862 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.662 -3.126 -1.252 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.550 -1.432 -2.388 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.547 -0.417 -2.069 1.00 0.17 C ATOM 1124 C ALA A 697 -2.665 -0.420 -3.097 1.00 0.16 C ATOM 1125 O ALA A 697 -3.838 -0.256 -2.751 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.908 0.962 -1.994 1.00 0.20 C ATOM 0 H ALA A 697 0.366 -1.062 -2.643 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.971 -0.657 -1.094 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.670 1.704 -1.755 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.142 0.966 -1.219 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.454 1.205 -2.955 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.298 -0.623 -4.358 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.279 -0.750 -5.423 1.00 0.20 C ATOM 1134 C GLU A 698 -4.216 -1.919 -5.133 1.00 0.18 C ATOM 1135 O GLU A 698 -5.437 -1.792 -5.237 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.593 -0.948 -6.781 1.00 0.26 C ATOM 1137 CG GLU A 698 -2.443 0.327 -7.603 1.00 1.02 C ATOM 1138 CD GLU A 698 -1.576 1.384 -6.946 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -0.378 1.467 -7.274 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -2.084 2.108 -6.064 1.00 1.40 O ATOM 0 H GLU A 698 -1.328 -0.703 -4.665 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.859 0.172 -5.466 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.605 -1.378 -6.616 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -3.164 -1.674 -7.360 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.017 0.074 -8.574 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -3.432 0.746 -7.789 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.639 -3.045 -4.724 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.422 -4.232 -4.403 1.00 0.18 C ATOM 1149 C ALA A 699 -5.216 -4.033 -3.113 1.00 0.15 C ATOM 1150 O ALA A 699 -6.300 -4.590 -2.946 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.515 -5.448 -4.283 1.00 0.21 C ATOM 0 H ALA A 699 -2.632 -3.160 -4.607 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.130 -4.400 -5.214 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.114 -6.326 -4.043 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -2.996 -5.610 -5.228 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.784 -5.280 -3.492 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.670 -3.231 -2.208 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.319 -2.951 -0.934 1.00 0.13 C ATOM 1159 C ALA A 700 -6.559 -2.096 -1.139 1.00 0.13 C ATOM 1160 O ALA A 700 -7.630 -2.407 -0.621 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.353 -2.266 0.019 1.00 0.14 C ATOM 0 H ALA A 700 -3.774 -2.760 -2.334 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.625 -3.899 -0.492 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.856 -2.065 0.965 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.495 -2.914 0.195 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.015 -1.327 -0.419 1.00 0.14 H new ATOM 1167 N MET A 701 -6.414 -1.023 -1.909 1.00 0.15 N ATOM 1168 CA MET A 701 -7.541 -0.149 -2.201 1.00 0.20 C ATOM 1169 C MET A 701 -8.555 -0.876 -3.076 1.00 0.23 C ATOM 1170 O MET A 701 -9.753 -0.612 -3.007 1.00 0.28 O ATOM 1171 CB MET A 701 -7.072 1.141 -2.885 1.00 0.27 C ATOM 1172 CG MET A 701 -6.619 0.955 -4.323 1.00 0.44 C ATOM 1173 SD MET A 701 -6.283 2.516 -5.160 1.00 0.74 S ATOM 1174 CE MET A 701 -5.868 1.926 -6.799 1.00 0.76 C ATOM 0 H MET A 701 -5.533 -0.740 -2.339 1.00 0.15 H new ATOM 0 HA MET A 701 -8.017 0.123 -1.259 1.00 0.20 H new ATOM 0 HB2 MET A 701 -7.885 1.867 -2.863 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.250 1.566 -2.309 1.00 0.27 H new ATOM 0 HG2 MET A 701 -5.720 0.339 -4.339 1.00 0.44 H new ATOM 0 HG3 MET A 701 -7.387 0.411 -4.873 1.00 0.44 H new ATOM 0 HE1 MET A 701 -4.968 2.431 -7.151 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.691 0.851 -6.765 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.692 2.136 -7.481 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.064 -1.817 -3.879 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.927 -2.622 -4.732 1.00 0.31 C ATOM 1186 C GLU A 702 -9.714 -3.619 -3.881 1.00 0.29 C ATOM 1187 O GLU A 702 -10.805 -4.053 -4.249 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.083 -3.350 -5.779 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.892 -4.093 -6.826 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.014 -4.754 -7.865 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -7.509 -4.046 -8.760 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.825 -5.989 -7.796 1.00 2.58 O ATOM 0 H GLU A 702 -7.071 -2.039 -3.955 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.636 -1.974 -5.247 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.441 -2.625 -6.280 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.428 -4.059 -5.272 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.507 -4.849 -6.338 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.573 -3.398 -7.317 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.146 -3.973 -2.734 1.00 0.27 N ATOM 1200 CA ALA A 703 -9.812 -4.843 -1.776 1.00 0.32 C ATOM 1201 C ALA A 703 -10.638 -4.023 -0.789 1.00 0.33 C ATOM 1202 O ALA A 703 -11.041 -4.525 0.266 1.00 0.45 O ATOM 1203 CB ALA A 703 -8.792 -5.698 -1.037 1.00 0.39 C ATOM 0 H ALA A 703 -8.217 -3.667 -2.445 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.487 -5.503 -2.321 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.306 -6.343 -0.324 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.245 -6.312 -1.753 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.094 -5.052 -0.504 1.00 0.39 H new ATOM 1209 N MET A 704 -10.863 -2.753 -1.144 1.00 0.33 N ATOM 1210 CA MET A 704 -11.681 -1.831 -0.351 1.00 0.44 C ATOM 1211 C MET A 704 -11.096 -1.632 1.042 1.00 0.41 C ATOM 1212 O MET A 704 -11.823 -1.473 2.023 1.00 0.58 O ATOM 1213 CB MET A 704 -13.131 -2.328 -0.259 1.00 0.61 C ATOM 1214 CG MET A 704 -13.788 -2.534 -1.615 1.00 1.01 C ATOM 1215 SD MET A 704 -15.546 -2.915 -1.496 1.00 2.03 S ATOM 1216 CE MET A 704 -16.176 -1.376 -0.831 1.00 2.61 C ATOM 0 H MET A 704 -10.481 -2.335 -1.993 1.00 0.33 H new ATOM 0 HA MET A 704 -11.678 -0.867 -0.859 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.150 -3.268 0.292 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.717 -1.610 0.315 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.657 -1.634 -2.216 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.281 -3.344 -2.139 1.00 1.01 H new ATOM 0 HE1 MET A 704 -16.562 -1.545 0.174 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.373 -0.640 -0.793 1.00 2.61 H new ATOM 0 HE3 MET A 704 -16.978 -1.005 -1.470 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.775 -1.634 1.119 1.00 0.30 N ATOM 1227 CA LYS A 705 -9.086 -1.481 2.387 1.00 0.34 C ATOM 1228 C LYS A 705 -8.192 -0.250 2.372 1.00 0.31 C ATOM 1229 O LYS A 705 -6.980 -0.340 2.157 1.00 0.30 O ATOM 1230 CB LYS A 705 -8.288 -2.743 2.699 1.00 0.42 C ATOM 1231 CG LYS A 705 -9.182 -3.929 2.997 1.00 0.65 C ATOM 1232 CD LYS A 705 -8.387 -5.194 3.223 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.301 -6.341 3.614 1.00 1.02 C ATOM 1234 NZ LYS A 705 -10.299 -6.648 2.555 1.00 1.59 N ATOM 0 H LYS A 705 -9.158 -1.740 0.314 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.825 -1.337 3.176 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.643 -2.981 1.853 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.638 -2.557 3.554 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.784 -3.716 3.880 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -9.874 -4.079 2.168 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -7.839 -5.452 2.316 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -7.647 -5.029 4.006 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -8.702 -7.229 3.815 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -9.820 -6.091 4.539 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -11.258 -6.494 2.927 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.140 -6.025 1.737 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.197 -7.640 2.259 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.817 0.900 2.592 1.00 0.40 N ATOM 1249 CA GLY A 706 -8.112 2.165 2.574 1.00 0.47 C ATOM 1250 C GLY A 706 -6.991 2.242 3.592 1.00 0.42 C ATOM 1251 O GLY A 706 -5.943 2.817 3.309 1.00 0.40 O ATOM 0 H GLY A 706 -9.816 0.977 2.785 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.701 2.330 1.578 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.821 2.971 2.763 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.204 1.670 4.777 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.177 1.672 5.817 1.00 0.47 C ATOM 1257 C ARG A 707 -4.905 1.015 5.299 1.00 0.38 C ATOM 1258 O ARG A 707 -3.814 1.574 5.409 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.650 0.928 7.067 1.00 0.60 C ATOM 1260 CG ARG A 707 -5.698 1.071 8.243 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.976 0.040 9.322 1.00 1.28 C ATOM 1262 NE ARG A 707 -5.523 -1.297 8.936 1.00 2.07 N ATOM 1263 CZ ARG A 707 -5.989 -2.427 9.472 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -6.955 -2.389 10.381 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -5.480 -3.597 9.103 1.00 3.90 N ATOM 0 H ARG A 707 -8.072 1.203 5.039 1.00 0.44 H new ATOM 0 HA ARG A 707 -5.978 2.710 6.082 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.632 1.302 7.355 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -6.769 -0.129 6.830 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -4.671 0.964 7.894 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.789 2.072 8.665 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -5.478 0.338 10.245 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -7.046 0.014 9.531 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.807 -1.370 8.213 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -7.345 -1.493 10.673 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -7.307 -3.256 10.787 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -4.733 -3.632 8.410 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -5.836 -4.460 9.513 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.061 -0.169 4.714 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.933 -0.916 4.174 1.00 0.30 C ATOM 1281 C LEU A 708 -3.234 -0.108 3.090 1.00 0.23 C ATOM 1282 O LEU A 708 -2.010 0.019 3.091 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.395 -2.263 3.602 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.542 -3.417 4.606 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.205 -3.737 5.251 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.586 -3.096 5.665 1.00 1.02 C ATOM 0 H LEU A 708 -5.963 -0.632 4.602 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.232 -1.105 4.987 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.356 -2.114 3.110 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.687 -2.568 2.832 1.00 0.34 H new ATOM 0 HG LEU A 708 -4.881 -4.296 4.059 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.329 -4.557 5.959 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.490 -4.028 4.481 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -2.835 -2.857 5.777 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -5.667 -3.931 6.361 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.289 -2.199 6.208 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.550 -2.928 5.186 1.00 1.02 H new ATOM 1298 N ALA A 709 -4.029 0.448 2.183 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.506 1.269 1.100 1.00 0.18 C ATOM 1300 C ALA A 709 -2.748 2.477 1.646 1.00 0.19 C ATOM 1301 O ALA A 709 -1.660 2.802 1.176 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.637 1.709 0.182 1.00 0.21 C ATOM 0 H ALA A 709 -5.044 0.344 2.178 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.803 0.670 0.522 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.234 2.322 -0.624 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.126 0.831 -0.240 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.363 2.290 0.751 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.315 3.113 2.666 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.705 4.282 3.294 1.00 0.29 C ATOM 1310 C ASN A 710 -1.354 3.900 3.892 1.00 0.25 C ATOM 1311 O ASN A 710 -0.349 4.572 3.655 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.643 4.835 4.383 1.00 0.38 C ATOM 1313 CG ASN A 710 -3.231 6.188 4.968 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -1.936 6.474 5.049 1.00 1.60 O flip ATOM 1315 ND2 ASN A 710 -4.089 6.974 5.363 1.00 1.45 N flip ATOM 0 H ASN A 710 -4.205 2.836 3.079 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.546 5.057 2.544 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.645 4.927 3.965 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.701 4.109 5.194 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -5.077 6.730 5.289 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -3.814 7.870 5.764 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.345 2.824 4.674 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.120 2.326 5.288 1.00 0.26 C ATOM 1324 C GLN A 711 0.929 2.005 4.224 1.00 0.22 C ATOM 1325 O GLN A 711 2.053 2.496 4.281 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.415 1.076 6.126 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.412 1.313 7.254 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.782 0.039 8.001 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -1.694 -1.103 7.327 1.00 1.83 O flip ATOM 1330 NE2 GLN A 711 -2.140 0.078 9.178 1.00 1.09 N flip ATOM 0 H GLN A 711 -2.177 2.279 4.898 1.00 0.25 H new ATOM 0 HA GLN A 711 0.275 3.106 5.939 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -0.800 0.294 5.472 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.518 0.706 6.550 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -0.991 2.031 7.958 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.316 1.762 6.843 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -2.196 0.973 9.665 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -2.380 -0.784 9.667 1.00 1.09 H new ATOM 1339 N TYR A 712 0.544 1.188 3.251 1.00 0.20 N ATOM 1340 CA TYR A 712 1.462 0.781 2.188 1.00 0.20 C ATOM 1341 C TYR A 712 1.971 1.976 1.381 1.00 0.20 C ATOM 1342 O TYR A 712 3.131 1.990 0.972 1.00 0.21 O ATOM 1343 CB TYR A 712 0.814 -0.254 1.268 1.00 0.22 C ATOM 1344 CG TYR A 712 0.499 -1.571 1.950 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.075 -1.916 3.171 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.372 -2.473 1.365 1.00 0.33 C ATOM 1347 CE1 TYR A 712 0.785 -3.121 3.780 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.667 -3.678 1.968 1.00 0.38 C ATOM 1349 CZ TYR A 712 -0.087 -3.998 3.173 1.00 0.36 C ATOM 1350 OH TYR A 712 -0.379 -5.203 3.772 1.00 0.44 O ATOM 0 H TYR A 712 -0.394 0.794 3.174 1.00 0.20 H new ATOM 0 HA TYR A 712 2.324 0.322 2.671 1.00 0.20 H new ATOM 0 HB2 TYR A 712 -0.107 0.163 0.861 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.478 -0.443 0.425 1.00 0.22 H new ATOM 0 HD1 TYR A 712 1.759 -1.230 3.649 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -0.830 -2.229 0.418 1.00 0.33 H new ATOM 0 HE1 TYR A 712 1.239 -3.374 4.727 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.351 -4.368 1.496 1.00 0.38 H new ATOM 0 HH TYR A 712 -1.011 -5.701 3.213 1.00 0.44 H new ATOM 1360 N TYR A 713 1.131 2.989 1.164 1.00 0.21 N ATOM 1361 CA TYR A 713 1.584 4.207 0.489 1.00 0.25 C ATOM 1362 C TYR A 713 2.600 4.933 1.354 1.00 0.23 C ATOM 1363 O TYR A 713 3.624 5.420 0.867 1.00 0.25 O ATOM 1364 CB TYR A 713 0.423 5.160 0.196 1.00 0.32 C ATOM 1365 CG TYR A 713 -0.314 4.890 -1.092 1.00 0.73 C ATOM 1366 CD1 TYR A 713 -1.697 4.805 -1.110 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.368 4.747 -2.291 1.00 0.96 C ATOM 1368 CE1 TYR A 713 -2.382 4.586 -2.286 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -0.311 4.521 -3.473 1.00 1.50 C ATOM 1370 CZ TYR A 713 -1.686 4.444 -3.463 1.00 2.20 C ATOM 1371 OH TYR A 713 -2.375 4.239 -4.638 1.00 2.95 O ATOM 0 H TYR A 713 0.149 2.993 1.440 1.00 0.21 H new ATOM 0 HA TYR A 713 2.034 3.904 -0.456 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.287 5.108 1.021 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.807 6.180 0.170 1.00 0.32 H new ATOM 0 HD1 TYR A 713 -2.248 4.912 -0.187 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.446 4.813 -2.301 1.00 0.96 H new ATOM 0 HE1 TYR A 713 -3.460 4.526 -2.283 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.233 4.405 -4.399 1.00 1.50 H new ATOM 0 HH TYR A 713 -2.419 3.279 -4.828 1.00 2.95 H new ATOM 1381 N GLN A 714 2.306 4.982 2.645 1.00 0.24 N ATOM 1382 CA GLN A 714 3.151 5.660 3.612 1.00 0.28 C ATOM 1383 C GLN A 714 4.485 4.940 3.740 1.00 0.23 C ATOM 1384 O GLN A 714 5.519 5.556 3.995 1.00 0.26 O ATOM 1385 CB GLN A 714 2.434 5.693 4.959 1.00 0.36 C ATOM 1386 CG GLN A 714 3.084 6.587 5.998 1.00 0.65 C ATOM 1387 CD GLN A 714 2.295 6.615 7.293 1.00 1.26 C ATOM 1388 OE1 GLN A 714 2.258 7.624 7.986 1.00 1.94 O ATOM 1389 NE2 GLN A 714 1.671 5.496 7.637 1.00 1.98 N ATOM 0 H GLN A 714 1.474 4.552 3.050 1.00 0.24 H new ATOM 0 HA GLN A 714 3.345 6.679 3.278 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.408 6.027 4.802 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.382 4.678 5.353 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.096 6.235 6.197 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.170 7.599 5.603 1.00 0.65 H new ATOM 0 HE21 GLN A 714 1.725 4.676 7.033 1.00 1.98 H new ATOM 0 HE22 GLN A 714 1.137 5.456 8.505 1.00 1.98 H new ATOM 1398 N LYS A 715 4.460 3.640 3.491 1.00 0.21 N ATOM 1399 CA LYS A 715 5.640 2.812 3.648 1.00 0.22 C ATOM 1400 C LYS A 715 6.445 2.829 2.356 1.00 0.20 C ATOM 1401 O LYS A 715 7.674 2.807 2.379 1.00 0.23 O ATOM 1402 CB LYS A 715 5.241 1.379 4.026 1.00 0.27 C ATOM 1403 CG LYS A 715 6.410 0.411 4.170 1.00 0.61 C ATOM 1404 CD LYS A 715 7.354 0.807 5.294 1.00 0.86 C ATOM 1405 CE LYS A 715 8.364 -0.296 5.595 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.710 -1.522 6.131 1.00 1.67 N ATOM 0 H LYS A 715 3.630 3.136 3.178 1.00 0.21 H new ATOM 0 HA LYS A 715 6.257 3.210 4.453 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.690 1.405 4.966 1.00 0.27 H new ATOM 0 HB3 LYS A 715 4.559 0.994 3.268 1.00 0.27 H new ATOM 0 HG2 LYS A 715 6.027 -0.592 4.357 1.00 0.61 H new ATOM 0 HG3 LYS A 715 6.963 0.371 3.232 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.883 1.720 5.021 1.00 0.86 H new ATOM 0 HD3 LYS A 715 6.778 1.029 6.192 1.00 0.86 H new ATOM 0 HE2 LYS A 715 8.910 -0.545 4.685 1.00 1.16 H new ATOM 0 HE3 LYS A 715 9.095 0.069 6.316 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.367 -2.015 6.769 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.852 -1.257 6.655 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 7.454 -2.152 5.344 1.00 1.67 H new ATOM 1420 N ALA A 716 5.742 2.891 1.230 1.00 0.17 N ATOM 1421 CA ALA A 716 6.383 3.015 -0.070 1.00 0.18 C ATOM 1422 C ALA A 716 7.096 4.349 -0.170 1.00 0.21 C ATOM 1423 O ALA A 716 8.241 4.434 -0.628 1.00 0.25 O ATOM 1424 CB ALA A 716 5.355 2.895 -1.187 1.00 0.21 C ATOM 0 H ALA A 716 4.723 2.857 1.194 1.00 0.17 H new ATOM 0 HA ALA A 716 7.109 2.209 -0.176 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.853 2.990 -2.152 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.864 1.924 -1.127 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.611 3.685 -1.083 1.00 0.21 H new ATOM 1430 N GLU A 717 6.420 5.388 0.298 1.00 0.24 N ATOM 1431 CA GLU A 717 6.966 6.725 0.257 1.00 0.32 C ATOM 1432 C GLU A 717 8.142 6.813 1.217 1.00 0.31 C ATOM 1433 O GLU A 717 9.164 7.413 0.903 1.00 0.33 O ATOM 1434 CB GLU A 717 5.894 7.748 0.632 1.00 0.45 C ATOM 1435 CG GLU A 717 6.232 9.166 0.215 1.00 1.26 C ATOM 1436 CD GLU A 717 6.247 9.338 -1.287 1.00 1.60 C ATOM 1437 OE1 GLU A 717 7.302 9.722 -1.832 1.00 2.16 O ATOM 1438 OE2 GLU A 717 5.207 9.081 -1.928 1.00 2.04 O ATOM 0 H GLU A 717 5.489 5.324 0.711 1.00 0.24 H new ATOM 0 HA GLU A 717 7.308 6.946 -0.754 1.00 0.32 H new ATOM 0 HB2 GLU A 717 4.950 7.458 0.170 1.00 0.45 H new ATOM 0 HB3 GLU A 717 5.742 7.723 1.711 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.505 9.852 0.649 1.00 1.26 H new ATOM 0 HG3 GLU A 717 7.207 9.438 0.619 1.00 1.26 H new ATOM 1445 N GLU A 718 7.985 6.187 2.385 1.00 0.31 N ATOM 1446 CA GLU A 718 9.042 6.133 3.387 1.00 0.36 C ATOM 1447 C GLU A 718 10.262 5.391 2.843 1.00 0.33 C ATOM 1448 O GLU A 718 11.403 5.807 3.059 1.00 0.36 O ATOM 1449 CB GLU A 718 8.524 5.437 4.647 1.00 0.43 C ATOM 1450 CG GLU A 718 9.471 5.507 5.832 1.00 1.06 C ATOM 1451 CD GLU A 718 8.926 4.775 7.040 1.00 1.46 C ATOM 1452 OE1 GLU A 718 7.953 5.263 7.653 1.00 1.75 O ATOM 1453 OE2 GLU A 718 9.471 3.707 7.390 1.00 2.20 O ATOM 0 H GLU A 718 7.127 5.708 2.658 1.00 0.31 H new ATOM 0 HA GLU A 718 9.341 7.151 3.635 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.572 5.885 4.930 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.327 4.390 4.415 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.433 5.078 5.552 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.650 6.550 6.091 1.00 1.06 H new ATOM 1460 N ALA A 719 10.009 4.298 2.126 1.00 0.28 N ATOM 1461 CA ALA A 719 11.073 3.508 1.523 1.00 0.29 C ATOM 1462 C ALA A 719 11.919 4.360 0.588 1.00 0.30 C ATOM 1463 O ALA A 719 13.147 4.387 0.696 1.00 0.37 O ATOM 1464 CB ALA A 719 10.492 2.315 0.772 1.00 0.28 C ATOM 0 H ALA A 719 9.070 3.940 1.950 1.00 0.28 H new ATOM 0 HA ALA A 719 11.715 3.139 2.323 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.301 1.736 0.328 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.933 1.686 1.465 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.825 2.670 -0.014 1.00 0.28 H new ATOM 1470 N TRP A 720 11.258 5.074 -0.315 1.00 0.26 N ATOM 1471 CA TRP A 720 11.965 5.925 -1.263 1.00 0.28 C ATOM 1472 C TRP A 720 12.497 7.191 -0.587 1.00 0.33 C ATOM 1473 O TRP A 720 13.491 7.759 -1.025 1.00 0.36 O ATOM 1474 CB TRP A 720 11.068 6.295 -2.449 1.00 0.29 C ATOM 1475 CG TRP A 720 10.666 5.114 -3.293 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.385 3.968 -3.503 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.460 4.975 -4.062 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.697 3.124 -4.343 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.516 3.720 -4.700 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.336 5.785 -4.272 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.498 3.259 -5.529 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.328 5.324 -5.095 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.414 4.072 -5.716 1.00 0.45 C ATOM 0 H TRP A 720 10.243 5.081 -0.411 1.00 0.26 H new ATOM 0 HA TRP A 720 12.815 5.355 -1.637 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.170 6.786 -2.075 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.589 7.018 -3.076 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.352 3.757 -3.071 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.014 2.204 -4.650 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.260 6.753 -3.798 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.562 2.293 -6.008 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.457 5.940 -5.263 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.609 3.742 -6.355 1.00 0.45 H new ATOM 1494 N ALA A 721 11.833 7.637 0.471 1.00 0.39 N ATOM 1495 CA ALA A 721 12.284 8.812 1.210 1.00 0.49 C ATOM 1496 C ALA A 721 13.587 8.534 1.945 1.00 0.57 C ATOM 1497 O ALA A 721 14.447 9.408 2.058 1.00 0.64 O ATOM 1498 CB ALA A 721 11.221 9.272 2.194 1.00 0.58 C ATOM 0 H ALA A 721 10.984 7.206 0.837 1.00 0.39 H new ATOM 0 HA ALA A 721 12.461 9.607 0.486 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.579 10.149 2.733 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.310 9.526 1.653 1.00 0.58 H new ATOM 0 HB3 ALA A 721 11.010 8.471 2.903 1.00 0.58 H new ATOM 1504 N GLN A 722 13.727 7.315 2.445 1.00 0.64 N ATOM 1505 CA GLN A 722 14.892 6.953 3.237 1.00 0.84 C ATOM 1506 C GLN A 722 16.157 6.875 2.378 1.00 0.87 C ATOM 1507 O GLN A 722 17.068 7.682 2.561 1.00 1.25 O ATOM 1508 CB GLN A 722 14.623 5.611 3.923 1.00 1.18 C ATOM 1509 CG GLN A 722 15.805 5.061 4.694 1.00 1.44 C ATOM 1510 CD GLN A 722 15.512 3.724 5.346 1.00 1.91 C ATOM 1511 OE1 GLN A 722 14.263 3.501 5.727 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 16.409 2.896 5.504 1.00 2.33 N flip ATOM 0 H GLN A 722 13.051 6.562 2.317 1.00 0.64 H new ATOM 0 HA GLN A 722 15.063 7.726 3.986 1.00 0.84 H new ATOM 0 HB2 GLN A 722 13.780 5.726 4.605 1.00 1.18 H new ATOM 0 HB3 GLN A 722 14.325 4.883 3.168 1.00 1.18 H new ATOM 0 HG2 GLN A 722 16.654 4.952 4.019 1.00 1.44 H new ATOM 0 HG3 GLN A 722 16.097 5.778 5.461 1.00 1.44 H new ATOM 0 HE21 GLN A 722 17.358 3.107 5.196 1.00 2.33 H new ATOM 0 HE22 GLN A 722 16.203 1.999 5.943 1.00 2.33 H new ATOM 1521 N MET A 723 16.156 5.958 1.399 1.00 0.99 N ATOM 1522 CA MET A 723 17.305 5.715 0.496 1.00 1.31 C ATOM 1523 C MET A 723 18.654 6.050 1.133 1.00 1.98 C ATOM 1524 O MET A 723 19.436 6.823 0.577 1.00 2.42 O ATOM 1525 CB MET A 723 17.157 6.496 -0.811 1.00 1.25 C ATOM 1526 CG MET A 723 15.989 6.048 -1.672 1.00 0.96 C ATOM 1527 SD MET A 723 15.929 6.898 -3.264 1.00 1.60 S ATOM 1528 CE MET A 723 15.914 8.612 -2.741 1.00 2.19 C ATOM 0 H MET A 723 15.355 5.357 1.205 1.00 0.99 H new ATOM 0 HA MET A 723 17.293 4.645 0.290 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.038 7.554 -0.578 1.00 1.25 H new ATOM 0 HB3 MET A 723 18.077 6.398 -1.387 1.00 1.25 H new ATOM 0 HG2 MET A 723 16.059 4.973 -1.841 1.00 0.96 H new ATOM 0 HG3 MET A 723 15.058 6.226 -1.135 1.00 0.96 H new ATOM 0 HE1 MET A 723 15.212 9.174 -3.357 1.00 2.19 H new ATOM 0 HE2 MET A 723 15.608 8.671 -1.696 1.00 2.19 H new ATOM 0 HE3 MET A 723 16.913 9.035 -2.851 1.00 2.19 H new ATOM 1538 N GLU A 724 18.921 5.482 2.296 1.00 2.33 N ATOM 1539 CA GLU A 724 20.173 5.739 2.996 1.00 3.03 C ATOM 1540 C GLU A 724 20.752 4.439 3.530 1.00 3.35 C ATOM 1541 O GLU A 724 21.861 4.402 4.065 1.00 3.82 O ATOM 1542 CB GLU A 724 19.944 6.731 4.140 1.00 3.31 C ATOM 1543 CG GLU A 724 19.025 6.205 5.232 1.00 3.60 C ATOM 1544 CD GLU A 724 18.685 7.253 6.268 1.00 4.24 C ATOM 1545 OE1 GLU A 724 17.622 7.893 6.146 1.00 4.88 O ATOM 1546 OE2 GLU A 724 19.479 7.443 7.211 1.00 4.47 O ATOM 0 H GLU A 724 18.291 4.840 2.777 1.00 2.33 H new ATOM 0 HA GLU A 724 20.885 6.174 2.295 1.00 3.03 H new ATOM 0 HB2 GLU A 724 20.906 6.991 4.581 1.00 3.31 H new ATOM 0 HB3 GLU A 724 19.521 7.650 3.733 1.00 3.31 H new ATOM 0 HG2 GLU A 724 18.105 5.836 4.779 1.00 3.60 H new ATOM 0 HG3 GLU A 724 19.501 5.356 5.723 1.00 3.60 H new ATOM 1553 N GLU A 725 19.996 3.374 3.353 1.00 3.48 N ATOM 1554 CA GLU A 725 20.360 2.072 3.864 1.00 4.01 C ATOM 1555 C GLU A 725 19.775 1.015 2.943 1.00 4.63 C ATOM 1556 O GLU A 725 18.593 0.650 3.126 1.00 5.05 O ATOM 1557 CB GLU A 725 19.834 1.914 5.301 1.00 4.09 C ATOM 1558 CG GLU A 725 20.533 0.836 6.124 1.00 4.80 C ATOM 1559 CD GLU A 725 20.211 -0.574 5.672 1.00 5.11 C ATOM 1560 OE1 GLU A 725 19.166 -1.120 6.093 1.00 5.31 O ATOM 1561 OE2 GLU A 725 21.000 -1.145 4.893 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.483 0.584 2.011 1.00 5.02 O ATOM 0 H GLU A 725 19.109 3.390 2.849 1.00 3.48 H new ATOM 0 HA GLU A 725 21.444 1.959 3.892 1.00 4.01 H new ATOM 0 HB2 GLU A 725 19.936 2.869 5.817 1.00 4.09 H new ATOM 0 HB3 GLU A 725 18.769 1.686 5.260 1.00 4.09 H new ATOM 0 HG2 GLU A 725 21.611 0.990 6.069 1.00 4.80 H new ATOM 0 HG3 GLU A 725 20.249 0.947 7.170 1.00 4.80 H new TER 1569 GLU A 725