USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=31 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 701 MET CE :methyl 166:sc= -0.097 (180deg=-0.527) USER MOD Set 1.2: A 713 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 693 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.2: A 715 LYS NZ :NH3+ 153:sc= 1.14 (180deg=-0.337) USER MOD Set 3.1: A 659 MET CE :methyl 137:sc= -0.0135 (180deg=-0.13) USER MOD Set 3.2: A 665 TYR OH : rot 165:sc= -1.38 USER MOD Set 4.1: A 656 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 666 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: A 712 TYR OH : rot -138:sc= 0.376 USER MOD Set 5.1: A 643 THR OG1 : rot -62:sc= 0.456 USER MOD Set 5.2: A 710 ASN : amide:sc= -0.948 K(o=-0.49,f=-2.2!) USER MOD Set 6.1: A 625 HIS : +bothHN:sc= 1.49 K(o=2.7,f=-5.4!) USER MOD Set 6.2: A 627 SER OG : rot -150:sc= 1.25 USER MOD Single : A 624 SER OG : rot 180:sc= 0 USER MOD Single : A 626 MET CE :methyl -177:sc= -1.67 (180deg=-1.78) USER MOD Single : A 631 CYS SG : rot 98:sc= -1.83! USER MOD Single : A 632 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 639 HIS : no HE2:sc= 0.533 K(o=0.53,f=-1.9) USER MOD Single : A 641 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : A 647 MET CE :methyl -141:sc= -0.138 (180deg=-0.761) USER MOD Single : A 648 THR OG1 : rot 51:sc= 0.0795 USER MOD Single : A 650 CYS SG : rot 180:sc= 0 USER MOD Single : A 660 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 667 MET CE :methyl 162:sc= -0.166 (180deg=-0.601) USER MOD Single : A 674 MET CE :methyl -176:sc= -0.13 (180deg=-0.174) USER MOD Single : A 677 THR OG1 : rot -36:sc= 0.441 USER MOD Single : A 680 TYR OH : rot 180:sc= 0 USER MOD Single : A 684 LYS NZ :NH3+ 164:sc= -1.52! (180deg=-1.83!) USER MOD Single : A 687 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.9) USER MOD Single : A 689 SER OG : rot -178:sc= -0.981! USER MOD Single : A 694 THR OG1 : rot -89:sc= 1.21 USER MOD Single : A 695 GLN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 704 MET CE :methyl 145:sc= -0.142 (180deg=-0.785) USER MOD Single : A 705 LYS NZ :NH3+ 143:sc= -0.456! (180deg=-0.958!) USER MOD Single : A 711 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Single : A 714 GLN :FLIP amide:sc= -0.136 F(o=-1.5,f=-0.14) USER MOD Single : A 722 GLN :FLIP amide:sc=-0.000476 F(o=-0.83,f=-0.00048) USER MOD Single : A 723 MET CE :methyl -136:sc= -0.157 (180deg=-1.67) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 623 1.119 -0.507 11.784 1.00 15.53 N ATOM 2 CA GLY A 623 -0.017 0.416 12.012 1.00 15.09 C ATOM 3 C GLY A 623 -1.167 -0.275 12.708 1.00 14.39 C ATOM 4 O GLY A 623 -1.983 -0.936 12.064 1.00 14.22 O ATOM 0 HA2 GLY A 623 0.316 1.262 12.613 1.00 15.09 H new ATOM 0 HA3 GLY A 623 -0.357 0.817 11.057 1.00 15.09 H new ATOM 10 N SER A 624 -1.242 -0.121 14.021 1.00 14.14 N ATOM 11 CA SER A 624 -2.257 -0.793 14.819 1.00 13.65 C ATOM 12 C SER A 624 -3.578 -0.025 14.797 1.00 12.93 C ATOM 13 O SER A 624 -4.160 0.268 15.840 1.00 12.90 O ATOM 14 CB SER A 624 -1.760 -0.955 16.256 1.00 13.94 C ATOM 15 OG SER A 624 -0.507 -1.618 16.285 1.00 14.35 O ATOM 0 H SER A 624 -0.607 0.468 14.560 1.00 14.14 H new ATOM 0 HA SER A 624 -2.438 -1.777 14.387 1.00 13.65 H new ATOM 0 HB2 SER A 624 -1.669 0.024 16.726 1.00 13.94 H new ATOM 0 HB3 SER A 624 -2.489 -1.521 16.836 1.00 13.94 H new ATOM 0 HG SER A 624 -0.207 -1.710 17.213 1.00 14.35 H new ATOM 21 N HIS A 625 -4.047 0.304 13.604 1.00 12.51 N ATOM 22 CA HIS A 625 -5.327 0.974 13.460 1.00 11.96 C ATOM 23 C HIS A 625 -6.422 -0.078 13.364 1.00 11.32 C ATOM 24 O HIS A 625 -7.227 -0.224 14.282 1.00 11.18 O ATOM 25 CB HIS A 625 -5.323 1.886 12.230 1.00 11.96 C ATOM 26 CG HIS A 625 -6.519 2.782 12.122 1.00 12.45 C ATOM 27 ND1 HIS A 625 -6.605 4.006 12.750 1.00 12.80 N ATOM 28 CD2 HIS A 625 -7.669 2.642 11.422 1.00 12.83 C ATOM 29 CE1 HIS A 625 -7.754 4.577 12.441 1.00 13.34 C ATOM 30 NE2 HIS A 625 -8.417 3.771 11.633 1.00 13.37 N ATOM 0 H HIS A 625 -3.562 0.119 12.726 1.00 12.51 H new ATOM 0 HA HIS A 625 -5.513 1.605 14.329 1.00 11.96 H new ATOM 0 HB2 HIS A 625 -4.424 2.501 12.252 1.00 11.96 H new ATOM 0 HB3 HIS A 625 -5.265 1.268 11.334 1.00 11.96 H new ATOM 0 HD1 HIS A 625 -5.892 4.408 13.359 1.00 12.80 H new ATOM 0 HD2 HIS A 625 -7.946 1.796 10.810 1.00 12.83 H new ATOM 0 HE1 HIS A 625 -8.094 5.541 12.790 1.00 13.34 H new ATOM 0 HE2 HIS A 625 -9.336 3.958 11.231 1.00 13.37 H new ATOM 39 N MET A 626 -6.418 -0.818 12.246 1.00 11.11 N ATOM 40 CA MET A 626 -7.252 -2.018 12.059 1.00 10.60 C ATOM 41 C MET A 626 -8.750 -1.709 11.943 1.00 9.72 C ATOM 42 O MET A 626 -9.467 -2.389 11.208 1.00 9.78 O ATOM 43 CB MET A 626 -7.003 -3.017 13.195 1.00 11.28 C ATOM 44 CG MET A 626 -5.567 -3.518 13.256 1.00 11.91 C ATOM 45 SD MET A 626 -5.190 -4.402 14.784 1.00 12.79 S ATOM 46 CE MET A 626 -6.296 -5.806 14.667 1.00 13.30 C ATOM 0 H MET A 626 -5.833 -0.601 11.440 1.00 11.11 H new ATOM 0 HA MET A 626 -6.954 -2.456 11.106 1.00 10.60 H new ATOM 0 HB2 MET A 626 -7.256 -2.546 14.145 1.00 11.28 H new ATOM 0 HB3 MET A 626 -7.672 -3.869 13.073 1.00 11.28 H new ATOM 0 HG2 MET A 626 -5.382 -4.176 12.407 1.00 11.91 H new ATOM 0 HG3 MET A 626 -4.888 -2.671 13.156 1.00 11.91 H new ATOM 0 HE1 MET A 626 -6.211 -6.412 15.569 1.00 13.30 H new ATOM 0 HE2 MET A 626 -7.322 -5.453 14.562 1.00 13.30 H new ATOM 0 HE3 MET A 626 -6.029 -6.408 13.799 1.00 13.30 H new ATOM 56 N SER A 627 -9.204 -0.691 12.660 1.00 9.08 N ATOM 57 CA SER A 627 -10.616 -0.336 12.713 1.00 8.35 C ATOM 58 C SER A 627 -11.140 0.106 11.348 1.00 7.32 C ATOM 59 O SER A 627 -10.625 1.054 10.748 1.00 7.21 O ATOM 60 CB SER A 627 -10.823 0.780 13.744 1.00 8.70 C ATOM 61 OG SER A 627 -9.913 1.847 13.527 1.00 9.26 O ATOM 0 H SER A 627 -8.604 -0.087 13.222 1.00 9.08 H new ATOM 0 HA SER A 627 -11.178 -1.222 13.008 1.00 8.35 H new ATOM 0 HB2 SER A 627 -11.846 1.151 13.683 1.00 8.70 H new ATOM 0 HB3 SER A 627 -10.688 0.381 14.749 1.00 8.70 H new ATOM 0 HG SER A 627 -9.707 2.280 14.382 1.00 9.26 H new ATOM 67 N PRO A 628 -12.171 -0.582 10.835 1.00 6.76 N ATOM 68 CA PRO A 628 -12.824 -0.208 9.587 1.00 5.93 C ATOM 69 C PRO A 628 -13.852 0.898 9.805 1.00 5.48 C ATOM 70 O PRO A 628 -14.434 1.425 8.854 1.00 5.24 O ATOM 71 CB PRO A 628 -13.499 -1.506 9.151 1.00 5.90 C ATOM 72 CG PRO A 628 -13.819 -2.213 10.422 1.00 6.58 C ATOM 73 CD PRO A 628 -12.771 -1.795 11.426 1.00 7.14 C ATOM 0 HA PRO A 628 -12.130 0.189 8.846 1.00 5.93 H new ATOM 0 HB2 PRO A 628 -14.400 -1.308 8.571 1.00 5.90 H new ATOM 0 HB3 PRO A 628 -12.839 -2.103 8.521 1.00 5.90 H new ATOM 0 HG2 PRO A 628 -14.817 -1.949 10.771 1.00 6.58 H new ATOM 0 HG3 PRO A 628 -13.808 -3.293 10.278 1.00 6.58 H new ATOM 0 HD2 PRO A 628 -13.213 -1.587 12.401 1.00 7.14 H new ATOM 0 HD3 PRO A 628 -12.026 -2.577 11.574 1.00 7.14 H new ATOM 81 N ASP A 629 -14.060 1.242 11.070 1.00 5.68 N ATOM 82 CA ASP A 629 -14.983 2.306 11.447 1.00 5.52 C ATOM 83 C ASP A 629 -14.360 3.675 11.184 1.00 4.87 C ATOM 84 O ASP A 629 -15.059 4.680 11.042 1.00 4.76 O ATOM 85 CB ASP A 629 -15.375 2.169 12.924 1.00 6.23 C ATOM 86 CG ASP A 629 -16.337 3.247 13.383 1.00 6.68 C ATOM 87 OD1 ASP A 629 -15.975 4.025 14.295 1.00 7.07 O ATOM 88 OD2 ASP A 629 -17.447 3.336 12.816 1.00 6.91 O ATOM 0 H ASP A 629 -13.596 0.794 11.860 1.00 5.68 H new ATOM 0 HA ASP A 629 -15.883 2.217 10.838 1.00 5.52 H new ATOM 0 HB2 ASP A 629 -15.830 1.191 13.085 1.00 6.23 H new ATOM 0 HB3 ASP A 629 -14.475 2.207 13.538 1.00 6.23 H new ATOM 93 N ARG A 630 -13.037 3.712 11.107 1.00 4.79 N ATOM 94 CA ARG A 630 -12.331 4.942 10.789 1.00 4.57 C ATOM 95 C ARG A 630 -11.469 4.757 9.551 1.00 4.10 C ATOM 96 O ARG A 630 -10.253 4.563 9.642 1.00 4.34 O ATOM 97 CB ARG A 630 -11.472 5.408 11.964 1.00 5.38 C ATOM 98 CG ARG A 630 -12.279 5.924 13.141 1.00 5.89 C ATOM 99 CD ARG A 630 -11.408 6.697 14.118 1.00 6.81 C ATOM 100 NE ARG A 630 -10.346 5.874 14.697 1.00 7.37 N ATOM 101 CZ ARG A 630 -9.225 6.371 15.222 1.00 8.27 C ATOM 102 NH1 ARG A 630 -9.001 7.676 15.210 1.00 8.70 N ATOM 103 NH2 ARG A 630 -8.317 5.567 15.749 1.00 8.95 N ATOM 0 H ARG A 630 -12.433 2.905 11.260 1.00 4.79 H new ATOM 0 HA ARG A 630 -13.077 5.711 10.588 1.00 4.57 H new ATOM 0 HB2 ARG A 630 -10.848 4.579 12.298 1.00 5.38 H new ATOM 0 HB3 ARG A 630 -10.800 6.195 11.622 1.00 5.38 H new ATOM 0 HG2 ARG A 630 -13.081 6.567 12.779 1.00 5.89 H new ATOM 0 HG3 ARG A 630 -12.750 5.086 13.656 1.00 5.89 H new ATOM 0 HD2 ARG A 630 -10.963 7.550 13.606 1.00 6.81 H new ATOM 0 HD3 ARG A 630 -12.031 7.095 14.919 1.00 6.81 H new ATOM 0 HE ARG A 630 -10.470 4.862 14.699 1.00 7.37 H new ATOM 0 HH11 ARG A 630 -9.688 8.308 14.798 1.00 8.70 H new ATOM 0 HH12 ARG A 630 -8.142 8.050 15.613 1.00 8.70 H new ATOM 0 HH21 ARG A 630 -8.471 4.559 15.756 1.00 8.95 H new ATOM 0 HH22 ARG A 630 -7.462 5.955 16.148 1.00 8.95 H new ATOM 117 N CYS A 631 -12.114 4.799 8.397 1.00 3.77 N ATOM 118 CA CYS A 631 -11.424 4.726 7.122 1.00 3.49 C ATOM 119 C CYS A 631 -11.627 6.029 6.357 1.00 3.17 C ATOM 120 O CYS A 631 -12.049 6.028 5.199 1.00 3.32 O ATOM 121 CB CYS A 631 -11.947 3.543 6.304 1.00 3.72 C ATOM 122 SG CYS A 631 -11.873 1.959 7.172 1.00 4.38 S ATOM 0 H CYS A 631 -13.127 4.884 8.319 1.00 3.77 H new ATOM 0 HA CYS A 631 -10.359 4.578 7.299 1.00 3.49 H new ATOM 0 HB2 CYS A 631 -12.980 3.741 6.018 1.00 3.72 H new ATOM 0 HB3 CYS A 631 -11.370 3.468 5.383 1.00 3.72 H new ATOM 0 HG CYS A 631 -13.037 1.690 7.684 1.00 4.38 H new ATOM 128 N GLN A 632 -11.328 7.139 7.017 1.00 3.10 N ATOM 129 CA GLN A 632 -11.570 8.453 6.443 1.00 3.01 C ATOM 130 C GLN A 632 -10.276 9.256 6.307 1.00 2.97 C ATOM 131 O GLN A 632 -9.987 9.793 5.241 1.00 2.93 O ATOM 132 CB GLN A 632 -12.572 9.221 7.308 1.00 3.40 C ATOM 133 CG GLN A 632 -13.888 8.485 7.521 1.00 3.70 C ATOM 134 CD GLN A 632 -14.857 9.259 8.392 1.00 4.22 C ATOM 135 OE1 GLN A 632 -14.454 10.028 9.262 1.00 4.67 O ATOM 136 NE2 GLN A 632 -16.144 9.055 8.167 1.00 4.57 N ATOM 0 H GLN A 632 -10.917 7.155 7.951 1.00 3.10 H new ATOM 0 HA GLN A 632 -11.981 8.311 5.443 1.00 3.01 H new ATOM 0 HB2 GLN A 632 -12.119 9.425 8.278 1.00 3.40 H new ATOM 0 HB3 GLN A 632 -12.776 10.185 6.842 1.00 3.40 H new ATOM 0 HG2 GLN A 632 -14.351 8.290 6.554 1.00 3.70 H new ATOM 0 HG3 GLN A 632 -13.688 7.517 7.979 1.00 3.70 H new ATOM 0 HE21 GLN A 632 -16.437 8.408 7.435 1.00 4.57 H new ATOM 0 HE22 GLN A 632 -16.843 9.545 8.725 1.00 4.57 H new ATOM 145 N ASP A 633 -9.495 9.309 7.383 1.00 3.23 N ATOM 146 CA ASP A 633 -8.297 10.157 7.452 1.00 3.48 C ATOM 147 C ASP A 633 -7.297 9.854 6.345 1.00 3.00 C ATOM 148 O ASP A 633 -6.623 10.756 5.846 1.00 3.13 O ATOM 149 CB ASP A 633 -7.604 10.004 8.808 1.00 4.11 C ATOM 150 CG ASP A 633 -8.394 10.617 9.944 1.00 4.69 C ATOM 151 OD1 ASP A 633 -9.170 9.888 10.594 1.00 5.22 O ATOM 152 OD2 ASP A 633 -8.242 11.831 10.189 1.00 4.94 O ATOM 0 H ASP A 633 -9.669 8.770 8.231 1.00 3.23 H new ATOM 0 HA ASP A 633 -8.642 11.183 7.321 1.00 3.48 H new ATOM 0 HB2 ASP A 633 -7.445 8.945 9.012 1.00 4.11 H new ATOM 0 HB3 ASP A 633 -6.620 10.471 8.763 1.00 4.11 H new ATOM 157 N TRP A 634 -7.206 8.591 5.956 1.00 2.60 N ATOM 158 CA TRP A 634 -6.241 8.178 4.946 1.00 2.30 C ATOM 159 C TRP A 634 -6.561 8.831 3.607 1.00 1.84 C ATOM 160 O TRP A 634 -5.677 9.053 2.783 1.00 1.69 O ATOM 161 CB TRP A 634 -6.214 6.649 4.803 1.00 2.47 C ATOM 162 CG TRP A 634 -7.469 6.056 4.232 1.00 2.40 C ATOM 163 CD1 TRP A 634 -8.601 5.725 4.915 1.00 2.72 C ATOM 164 CD2 TRP A 634 -7.713 5.710 2.861 1.00 2.37 C ATOM 165 NE1 TRP A 634 -9.536 5.206 4.054 1.00 2.82 N ATOM 166 CE2 TRP A 634 -9.015 5.185 2.790 1.00 2.72 C ATOM 167 CE3 TRP A 634 -6.958 5.797 1.684 1.00 2.38 C ATOM 168 CZ2 TRP A 634 -9.580 4.747 1.594 1.00 3.15 C ATOM 169 CZ3 TRP A 634 -7.521 5.363 0.498 1.00 2.88 C ATOM 170 CH2 TRP A 634 -8.820 4.845 0.461 1.00 3.28 C ATOM 0 H TRP A 634 -7.786 7.836 6.322 1.00 2.60 H new ATOM 0 HA TRP A 634 -5.253 8.506 5.268 1.00 2.30 H new ATOM 0 HB2 TRP A 634 -5.374 6.371 4.167 1.00 2.47 H new ATOM 0 HB3 TRP A 634 -6.032 6.208 5.783 1.00 2.47 H new ATOM 0 HD1 TRP A 634 -8.742 5.852 5.978 1.00 2.72 H new ATOM 0 HE1 TRP A 634 -10.469 4.887 4.315 1.00 2.82 H new ATOM 0 HE3 TRP A 634 -5.955 6.196 1.703 1.00 2.38 H new ATOM 0 HZ2 TRP A 634 -10.582 4.345 1.563 1.00 3.15 H new ATOM 0 HZ3 TRP A 634 -6.948 5.425 -0.415 1.00 2.88 H new ATOM 0 HH2 TRP A 634 -9.231 4.516 -0.482 1.00 3.28 H new ATOM 181 N LEU A 635 -7.831 9.162 3.412 1.00 1.89 N ATOM 182 CA LEU A 635 -8.275 9.790 2.180 1.00 2.05 C ATOM 183 C LEU A 635 -7.712 11.194 2.060 1.00 2.36 C ATOM 184 O LEU A 635 -7.411 11.649 0.962 1.00 2.50 O ATOM 185 CB LEU A 635 -9.800 9.820 2.123 1.00 2.45 C ATOM 186 CG LEU A 635 -10.458 8.462 1.882 1.00 2.54 C ATOM 187 CD1 LEU A 635 -11.920 8.496 2.282 1.00 2.83 C ATOM 188 CD2 LEU A 635 -10.322 8.067 0.420 1.00 3.12 C ATOM 0 H LEU A 635 -8.572 9.004 4.095 1.00 1.89 H new ATOM 0 HA LEU A 635 -7.905 9.202 1.340 1.00 2.05 H new ATOM 0 HB2 LEU A 635 -10.177 10.230 3.060 1.00 2.45 H new ATOM 0 HB3 LEU A 635 -10.107 10.503 1.331 1.00 2.45 H new ATOM 0 HG LEU A 635 -9.951 7.719 2.498 1.00 2.54 H new ATOM 0 HD11 LEU A 635 -12.369 7.519 2.102 1.00 2.83 H new ATOM 0 HD12 LEU A 635 -12.002 8.744 3.340 1.00 2.83 H new ATOM 0 HD13 LEU A 635 -12.441 9.249 1.691 1.00 2.83 H new ATOM 0 HD21 LEU A 635 -10.794 7.098 0.260 1.00 3.12 H new ATOM 0 HD22 LEU A 635 -10.808 8.816 -0.206 1.00 3.12 H new ATOM 0 HD23 LEU A 635 -9.266 8.004 0.157 1.00 3.12 H new ATOM 200 N GLU A 636 -7.566 11.873 3.191 1.00 2.71 N ATOM 201 CA GLU A 636 -6.939 13.187 3.210 1.00 3.25 C ATOM 202 C GLU A 636 -5.469 13.074 2.828 1.00 3.07 C ATOM 203 O GLU A 636 -4.975 13.807 1.971 1.00 3.33 O ATOM 204 CB GLU A 636 -7.056 13.831 4.594 1.00 3.85 C ATOM 205 CG GLU A 636 -8.388 14.516 4.868 1.00 4.37 C ATOM 206 CD GLU A 636 -9.547 13.553 4.974 1.00 4.88 C ATOM 207 OE1 GLU A 636 -10.364 13.499 4.032 1.00 5.12 O ATOM 208 OE2 GLU A 636 -9.650 12.852 6.002 1.00 5.37 O ATOM 0 H GLU A 636 -7.872 11.536 4.104 1.00 2.71 H new ATOM 0 HA GLU A 636 -7.457 13.816 2.486 1.00 3.25 H new ATOM 0 HB2 GLU A 636 -6.895 13.064 5.351 1.00 3.85 H new ATOM 0 HB3 GLU A 636 -6.257 14.563 4.708 1.00 3.85 H new ATOM 0 HG2 GLU A 636 -8.312 15.085 5.795 1.00 4.37 H new ATOM 0 HG3 GLU A 636 -8.591 15.231 4.071 1.00 4.37 H new ATOM 215 N ALA A 637 -4.789 12.130 3.462 1.00 2.79 N ATOM 216 CA ALA A 637 -3.364 11.926 3.256 1.00 2.78 C ATOM 217 C ALA A 637 -3.063 11.515 1.818 1.00 2.28 C ATOM 218 O ALA A 637 -2.187 12.090 1.164 1.00 2.44 O ATOM 219 CB ALA A 637 -2.852 10.877 4.230 1.00 2.89 C ATOM 0 H ALA A 637 -5.209 11.486 4.132 1.00 2.79 H new ATOM 0 HA ALA A 637 -2.850 12.870 3.441 1.00 2.78 H new ATOM 0 HB1 ALA A 637 -1.784 10.726 4.074 1.00 2.89 H new ATOM 0 HB2 ALA A 637 -3.025 11.214 5.252 1.00 2.89 H new ATOM 0 HB3 ALA A 637 -3.379 9.938 4.064 1.00 2.89 H new ATOM 225 N LEU A 638 -3.803 10.528 1.327 1.00 1.83 N ATOM 226 CA LEU A 638 -3.615 10.025 -0.026 1.00 1.65 C ATOM 227 C LEU A 638 -4.040 11.070 -1.056 1.00 2.09 C ATOM 228 O LEU A 638 -3.513 11.112 -2.169 1.00 2.25 O ATOM 229 CB LEU A 638 -4.415 8.733 -0.224 1.00 1.61 C ATOM 230 CG LEU A 638 -4.122 7.960 -1.516 1.00 1.61 C ATOM 231 CD1 LEU A 638 -2.667 7.522 -1.567 1.00 2.00 C ATOM 232 CD2 LEU A 638 -5.041 6.755 -1.635 1.00 1.99 C ATOM 0 H LEU A 638 -4.542 10.059 1.850 1.00 1.83 H new ATOM 0 HA LEU A 638 -2.556 9.812 -0.170 1.00 1.65 H new ATOM 0 HB2 LEU A 638 -4.222 8.075 0.623 1.00 1.61 H new ATOM 0 HB3 LEU A 638 -5.477 8.978 -0.202 1.00 1.61 H new ATOM 0 HG LEU A 638 -4.308 8.626 -2.359 1.00 1.61 H new ATOM 0 HD11 LEU A 638 -2.484 6.976 -2.492 1.00 2.00 H new ATOM 0 HD12 LEU A 638 -2.021 8.399 -1.529 1.00 2.00 H new ATOM 0 HD13 LEU A 638 -2.451 6.876 -0.716 1.00 2.00 H new ATOM 0 HD21 LEU A 638 -4.819 6.218 -2.557 1.00 1.99 H new ATOM 0 HD22 LEU A 638 -4.885 6.093 -0.783 1.00 1.99 H new ATOM 0 HD23 LEU A 638 -6.079 7.089 -1.650 1.00 1.99 H new ATOM 244 N HIS A 639 -4.980 11.928 -0.666 1.00 2.51 N ATOM 245 CA HIS A 639 -5.497 12.968 -1.551 1.00 3.15 C ATOM 246 C HIS A 639 -4.376 13.873 -2.045 1.00 3.32 C ATOM 247 O HIS A 639 -4.303 14.196 -3.227 1.00 3.71 O ATOM 248 CB HIS A 639 -6.557 13.808 -0.829 1.00 3.69 C ATOM 249 CG HIS A 639 -7.209 14.842 -1.692 1.00 4.41 C ATOM 250 ND1 HIS A 639 -7.126 16.193 -1.437 1.00 4.97 N ATOM 251 CD2 HIS A 639 -7.967 14.717 -2.806 1.00 4.95 C ATOM 252 CE1 HIS A 639 -7.802 16.855 -2.357 1.00 5.62 C ATOM 253 NE2 HIS A 639 -8.320 15.982 -3.198 1.00 5.61 N ATOM 0 H HIS A 639 -5.401 11.923 0.263 1.00 2.51 H new ATOM 0 HA HIS A 639 -5.952 12.477 -2.411 1.00 3.15 H new ATOM 0 HB2 HIS A 639 -7.325 13.143 -0.434 1.00 3.69 H new ATOM 0 HB3 HIS A 639 -6.094 14.302 0.025 1.00 3.69 H new ATOM 0 HD1 HIS A 639 -6.621 16.616 -0.658 1.00 4.97 H new ATOM 0 HD2 HIS A 639 -8.242 13.794 -3.294 1.00 4.95 H new ATOM 0 HE1 HIS A 639 -7.912 17.928 -2.412 1.00 5.62 H new ATOM 262 N TRP A 640 -3.497 14.274 -1.139 1.00 3.17 N ATOM 263 CA TRP A 640 -2.419 15.189 -1.490 1.00 3.45 C ATOM 264 C TRP A 640 -1.126 14.431 -1.769 1.00 2.97 C ATOM 265 O TRP A 640 -0.065 15.028 -1.955 1.00 3.21 O ATOM 266 CB TRP A 640 -2.209 16.217 -0.373 1.00 3.97 C ATOM 267 CG TRP A 640 -3.460 16.977 -0.036 1.00 4.43 C ATOM 268 CD1 TRP A 640 -4.371 16.658 0.930 1.00 4.57 C ATOM 269 CD2 TRP A 640 -3.943 18.173 -0.665 1.00 5.16 C ATOM 270 NE1 TRP A 640 -5.393 17.573 0.936 1.00 5.35 N ATOM 271 CE2 TRP A 640 -5.152 18.516 -0.027 1.00 5.75 C ATOM 272 CE3 TRP A 640 -3.476 18.989 -1.702 1.00 5.54 C ATOM 273 CZ2 TRP A 640 -5.895 19.635 -0.393 1.00 6.72 C ATOM 274 CZ3 TRP A 640 -4.217 20.100 -2.060 1.00 6.48 C ATOM 275 CH2 TRP A 640 -5.414 20.413 -1.407 1.00 7.07 C ATOM 0 H TRP A 640 -3.507 13.983 -0.161 1.00 3.17 H new ATOM 0 HA TRP A 640 -2.703 15.715 -2.401 1.00 3.45 H new ATOM 0 HB2 TRP A 640 -1.848 15.707 0.520 1.00 3.97 H new ATOM 0 HB3 TRP A 640 -1.433 16.920 -0.674 1.00 3.97 H new ATOM 0 HD1 TRP A 640 -4.298 15.809 1.593 1.00 4.57 H new ATOM 0 HE1 TRP A 640 -6.202 17.554 1.557 1.00 5.35 H new ATOM 0 HE3 TRP A 640 -2.554 18.755 -2.213 1.00 5.54 H new ATOM 0 HZ2 TRP A 640 -6.820 19.879 0.108 1.00 6.72 H new ATOM 0 HZ3 TRP A 640 -3.866 20.737 -2.858 1.00 6.48 H new ATOM 0 HH2 TRP A 640 -5.969 21.288 -1.711 1.00 7.07 H new ATOM 286 N TYR A 641 -1.256 13.102 -1.800 1.00 2.48 N ATOM 287 CA TYR A 641 -0.134 12.179 -1.984 1.00 2.29 C ATOM 288 C TYR A 641 1.056 12.580 -1.119 1.00 2.37 C ATOM 289 O TYR A 641 2.146 12.866 -1.613 1.00 2.80 O ATOM 290 CB TYR A 641 0.269 12.080 -3.461 1.00 2.57 C ATOM 291 CG TYR A 641 1.230 10.943 -3.740 1.00 2.91 C ATOM 292 CD1 TYR A 641 2.500 11.186 -4.246 1.00 3.42 C ATOM 293 CD2 TYR A 641 0.870 9.626 -3.478 1.00 3.41 C ATOM 294 CE1 TYR A 641 3.383 10.150 -4.485 1.00 4.14 C ATOM 295 CE2 TYR A 641 1.746 8.585 -3.715 1.00 4.25 C ATOM 296 CZ TYR A 641 3.001 8.853 -4.218 1.00 4.51 C ATOM 297 OH TYR A 641 3.883 7.823 -4.451 1.00 5.50 O ATOM 0 H TYR A 641 -2.155 12.631 -1.697 1.00 2.48 H new ATOM 0 HA TYR A 641 -0.464 11.191 -1.662 1.00 2.29 H new ATOM 0 HB2 TYR A 641 -0.627 11.948 -4.068 1.00 2.57 H new ATOM 0 HB3 TYR A 641 0.727 13.019 -3.770 1.00 2.57 H new ATOM 0 HD1 TYR A 641 2.803 12.201 -4.456 1.00 3.42 H new ATOM 0 HD2 TYR A 641 -0.112 9.413 -3.082 1.00 3.41 H new ATOM 0 HE1 TYR A 641 4.367 10.356 -4.879 1.00 4.14 H new ATOM 0 HE2 TYR A 641 1.450 7.567 -3.508 1.00 4.25 H new ATOM 0 HH TYR A 641 3.462 6.971 -4.211 1.00 5.50 H new ATOM 307 N ASN A 642 0.826 12.623 0.179 1.00 2.55 N ATOM 308 CA ASN A 642 1.874 12.937 1.135 1.00 2.95 C ATOM 309 C ASN A 642 1.537 12.289 2.465 1.00 2.85 C ATOM 310 O ASN A 642 0.933 12.912 3.337 1.00 3.27 O ATOM 311 CB ASN A 642 2.019 14.455 1.295 1.00 3.71 C ATOM 312 CG ASN A 642 3.201 14.850 2.166 1.00 4.38 C ATOM 313 OD1 ASN A 642 3.073 14.991 3.382 1.00 4.86 O ATOM 314 ND2 ASN A 642 4.362 15.038 1.553 1.00 4.90 N ATOM 0 H ASN A 642 -0.085 12.443 0.600 1.00 2.55 H new ATOM 0 HA ASN A 642 2.826 12.548 0.773 1.00 2.95 H new ATOM 0 HB2 ASN A 642 2.132 14.909 0.311 1.00 3.71 H new ATOM 0 HB3 ASN A 642 1.104 14.858 1.729 1.00 3.71 H new ATOM 0 HD21 ASN A 642 5.185 15.308 2.091 1.00 4.90 H new ATOM 0 HD22 ASN A 642 4.432 14.912 0.543 1.00 4.90 H new ATOM 321 N THR A 643 1.899 11.026 2.610 1.00 2.87 N ATOM 322 CA THR A 643 1.503 10.269 3.780 1.00 3.35 C ATOM 323 C THR A 643 2.675 9.495 4.392 1.00 3.70 C ATOM 324 O THR A 643 2.469 8.577 5.185 1.00 4.43 O ATOM 325 CB THR A 643 0.343 9.305 3.429 1.00 4.03 C ATOM 326 OG1 THR A 643 -0.139 8.652 4.606 1.00 4.46 O ATOM 327 CG2 THR A 643 0.777 8.262 2.407 1.00 4.33 C ATOM 0 H THR A 643 2.463 10.508 1.936 1.00 2.87 H new ATOM 0 HA THR A 643 1.162 10.983 4.529 1.00 3.35 H new ATOM 0 HB THR A 643 -0.458 9.902 2.993 1.00 4.03 H new ATOM 0 HG1 THR A 643 0.581 8.117 5.001 1.00 4.46 H new ATOM 0 HG21 THR A 643 -0.061 7.602 2.183 1.00 4.33 H new ATOM 0 HG22 THR A 643 1.101 8.761 1.493 1.00 4.33 H new ATOM 0 HG23 THR A 643 1.602 7.677 2.813 1.00 4.33 H new ATOM 335 N ALA A 644 3.905 9.886 4.057 1.00 3.58 N ATOM 336 CA ALA A 644 5.087 9.205 4.579 1.00 4.14 C ATOM 337 C ALA A 644 5.198 9.394 6.086 1.00 5.22 C ATOM 338 O ALA A 644 5.651 8.507 6.806 1.00 5.98 O ATOM 339 CB ALA A 644 6.344 9.709 3.890 1.00 3.76 C ATOM 0 H ALA A 644 4.107 10.665 3.431 1.00 3.58 H new ATOM 0 HA ALA A 644 4.982 8.140 4.373 1.00 4.14 H new ATOM 0 HB1 ALA A 644 7.213 9.189 4.293 1.00 3.76 H new ATOM 0 HB2 ALA A 644 6.273 9.520 2.819 1.00 3.76 H new ATOM 0 HB3 ALA A 644 6.449 10.780 4.063 1.00 3.76 H new ATOM 345 N LEU A 645 4.766 10.553 6.553 1.00 5.58 N ATOM 346 CA LEU A 645 4.782 10.871 7.969 1.00 6.84 C ATOM 347 C LEU A 645 3.348 11.069 8.452 1.00 7.35 C ATOM 348 O LEU A 645 3.026 12.046 9.130 1.00 8.01 O ATOM 349 CB LEU A 645 5.626 12.125 8.217 1.00 7.29 C ATOM 350 CG LEU A 645 5.919 12.445 9.686 1.00 7.38 C ATOM 351 CD1 LEU A 645 6.736 11.335 10.332 1.00 7.91 C ATOM 352 CD2 LEU A 645 6.643 13.775 9.804 1.00 7.94 C ATOM 0 H LEU A 645 4.395 11.298 5.962 1.00 5.58 H new ATOM 0 HA LEU A 645 5.232 10.051 8.528 1.00 6.84 H new ATOM 0 HB2 LEU A 645 6.575 12.013 7.692 1.00 7.29 H new ATOM 0 HB3 LEU A 645 5.115 12.979 7.773 1.00 7.29 H new ATOM 0 HG LEU A 645 4.968 12.517 10.214 1.00 7.38 H new ATOM 0 HD11 LEU A 645 6.931 11.586 11.375 1.00 7.91 H new ATOM 0 HD12 LEU A 645 6.181 10.398 10.282 1.00 7.91 H new ATOM 0 HD13 LEU A 645 7.682 11.225 9.803 1.00 7.91 H new ATOM 0 HD21 LEU A 645 6.844 13.988 10.854 1.00 7.94 H new ATOM 0 HD22 LEU A 645 7.585 13.727 9.257 1.00 7.94 H new ATOM 0 HD23 LEU A 645 6.021 14.566 9.386 1.00 7.94 H new ATOM 364 N GLU A 646 2.493 10.132 8.065 1.00 7.22 N ATOM 365 CA GLU A 646 1.079 10.157 8.420 1.00 7.76 C ATOM 366 C GLU A 646 0.893 10.209 9.933 1.00 8.33 C ATOM 367 O GLU A 646 1.650 9.586 10.680 1.00 8.43 O ATOM 368 CB GLU A 646 0.392 8.903 7.873 1.00 7.59 C ATOM 369 CG GLU A 646 -1.111 8.878 8.083 1.00 7.98 C ATOM 370 CD GLU A 646 -1.682 7.477 8.032 1.00 8.43 C ATOM 371 OE1 GLU A 646 -2.438 7.107 8.957 1.00 8.62 O ATOM 372 OE2 GLU A 646 -1.368 6.727 7.082 1.00 8.80 O ATOM 0 H GLU A 646 2.761 9.330 7.494 1.00 7.22 H new ATOM 0 HA GLU A 646 0.634 11.051 7.984 1.00 7.76 H new ATOM 0 HB2 GLU A 646 0.600 8.824 6.806 1.00 7.59 H new ATOM 0 HB3 GLU A 646 0.829 8.025 8.349 1.00 7.59 H new ATOM 0 HG2 GLU A 646 -1.347 9.328 9.047 1.00 7.98 H new ATOM 0 HG3 GLU A 646 -1.591 9.490 7.320 1.00 7.98 H new ATOM 379 N MET A 647 -0.106 10.961 10.377 1.00 8.91 N ATOM 380 CA MET A 647 -0.482 10.977 11.785 1.00 9.60 C ATOM 381 C MET A 647 -1.194 9.675 12.138 1.00 9.81 C ATOM 382 O MET A 647 -2.423 9.615 12.166 1.00 10.24 O ATOM 383 CB MET A 647 -1.388 12.171 12.097 1.00 10.34 C ATOM 384 CG MET A 647 -0.699 13.520 11.966 1.00 10.82 C ATOM 385 SD MET A 647 -1.810 14.905 12.294 1.00 11.51 S ATOM 386 CE MET A 647 -3.023 14.690 10.992 1.00 12.08 C ATOM 0 H MET A 647 -0.671 11.568 9.783 1.00 8.91 H new ATOM 0 HA MET A 647 0.423 11.073 12.385 1.00 9.60 H new ATOM 0 HB2 MET A 647 -2.247 12.147 11.427 1.00 10.34 H new ATOM 0 HB3 MET A 647 -1.772 12.067 13.112 1.00 10.34 H new ATOM 0 HG2 MET A 647 0.142 13.562 12.658 1.00 10.82 H new ATOM 0 HG3 MET A 647 -0.290 13.618 10.961 1.00 10.82 H new ATOM 0 HE1 MET A 647 -3.311 15.665 10.599 1.00 12.08 H new ATOM 0 HE2 MET A 647 -2.594 14.088 10.191 1.00 12.08 H new ATOM 0 HE3 MET A 647 -3.902 14.187 11.394 1.00 12.08 H new ATOM 396 N THR A 648 -0.408 8.639 12.386 1.00 9.65 N ATOM 397 CA THR A 648 -0.933 7.313 12.656 1.00 9.89 C ATOM 398 C THR A 648 -1.648 7.248 14.001 1.00 10.52 C ATOM 399 O THR A 648 -1.016 7.104 15.051 1.00 10.68 O ATOM 400 CB THR A 648 0.195 6.266 12.625 1.00 9.58 C ATOM 401 OG1 THR A 648 1.353 6.780 13.298 1.00 9.43 O ATOM 402 CG2 THR A 648 0.556 5.894 11.194 1.00 9.40 C ATOM 0 H THR A 648 0.610 8.695 12.405 1.00 9.65 H new ATOM 0 HA THR A 648 -1.658 7.092 11.873 1.00 9.89 H new ATOM 0 HB THR A 648 -0.157 5.369 13.134 1.00 9.58 H new ATOM 0 HG1 THR A 648 1.095 7.121 14.180 1.00 9.43 H new ATOM 0 HG21 THR A 648 1.355 5.153 11.201 1.00 9.40 H new ATOM 0 HG22 THR A 648 -0.319 5.479 10.694 1.00 9.40 H new ATOM 0 HG23 THR A 648 0.891 6.783 10.660 1.00 9.40 H new ATOM 410 N ASP A 649 -2.963 7.368 13.965 1.00 11.04 N ATOM 411 CA ASP A 649 -3.765 7.243 15.170 1.00 11.77 C ATOM 412 C ASP A 649 -4.239 5.803 15.315 1.00 11.96 C ATOM 413 O ASP A 649 -5.216 5.389 14.686 1.00 12.46 O ATOM 414 CB ASP A 649 -4.960 8.198 15.139 1.00 12.46 C ATOM 415 CG ASP A 649 -5.653 8.291 16.484 1.00 13.07 C ATOM 416 OD1 ASP A 649 -5.140 8.989 17.381 1.00 13.39 O ATOM 417 OD2 ASP A 649 -6.718 7.659 16.649 1.00 13.37 O ATOM 0 H ASP A 649 -3.498 7.552 13.116 1.00 11.04 H new ATOM 0 HA ASP A 649 -3.150 7.511 16.029 1.00 11.77 H new ATOM 0 HB2 ASP A 649 -4.623 9.189 14.836 1.00 12.46 H new ATOM 0 HB3 ASP A 649 -5.673 7.861 14.387 1.00 12.46 H new ATOM 422 N CYS A 650 -3.518 5.037 16.115 1.00 11.69 N ATOM 423 CA CYS A 650 -3.822 3.629 16.311 1.00 11.94 C ATOM 424 C CYS A 650 -4.951 3.455 17.320 1.00 12.07 C ATOM 425 O CYS A 650 -5.198 4.332 18.147 1.00 12.15 O ATOM 426 CB CYS A 650 -2.570 2.885 16.782 1.00 11.96 C ATOM 427 SG CYS A 650 -1.179 2.994 15.631 1.00 12.13 S ATOM 0 H CYS A 650 -2.711 5.369 16.644 1.00 11.69 H new ATOM 0 HA CYS A 650 -4.148 3.209 15.359 1.00 11.94 H new ATOM 0 HB2 CYS A 650 -2.262 3.286 17.748 1.00 11.96 H new ATOM 0 HB3 CYS A 650 -2.819 1.835 16.937 1.00 11.96 H new ATOM 0 HG CYS A 650 -0.165 2.338 16.112 1.00 12.13 H new ATOM 433 N ASP A 651 -5.635 2.326 17.238 1.00 12.25 N ATOM 434 CA ASP A 651 -6.744 2.029 18.135 1.00 12.49 C ATOM 435 C ASP A 651 -6.323 0.988 19.157 1.00 12.81 C ATOM 436 O ASP A 651 -5.666 0.004 18.811 1.00 12.82 O ATOM 437 CB ASP A 651 -7.964 1.517 17.357 1.00 12.51 C ATOM 438 CG ASP A 651 -8.727 2.621 16.655 1.00 12.95 C ATOM 439 OD1 ASP A 651 -9.622 3.225 17.284 1.00 13.19 O ATOM 440 OD2 ASP A 651 -8.447 2.891 15.469 1.00 13.19 O ATOM 0 H ASP A 651 -5.441 1.594 16.555 1.00 12.25 H new ATOM 0 HA ASP A 651 -7.020 2.952 18.644 1.00 12.49 H new ATOM 0 HB2 ASP A 651 -7.636 0.785 16.619 1.00 12.51 H new ATOM 0 HB3 ASP A 651 -8.634 1.000 18.043 1.00 12.51 H new ATOM 445 N GLU A 652 -6.686 1.207 20.415 1.00 13.23 N ATOM 446 CA GLU A 652 -6.409 0.237 21.467 1.00 13.69 C ATOM 447 C GLU A 652 -7.393 -0.929 21.386 1.00 13.73 C ATOM 448 O GLU A 652 -8.224 -1.131 22.272 1.00 14.19 O ATOM 449 CB GLU A 652 -6.464 0.889 22.853 1.00 14.37 C ATOM 450 CG GLU A 652 -5.158 1.542 23.290 1.00 14.63 C ATOM 451 CD GLU A 652 -4.768 2.741 22.453 1.00 15.07 C ATOM 452 OE1 GLU A 652 -5.259 3.857 22.732 1.00 15.16 O ATOM 453 OE2 GLU A 652 -3.982 2.570 21.499 1.00 15.45 O ATOM 0 H GLU A 652 -7.172 2.046 20.731 1.00 13.23 H new ATOM 0 HA GLU A 652 -5.399 -0.144 21.317 1.00 13.69 H new ATOM 0 HB2 GLU A 652 -7.252 1.642 22.857 1.00 14.37 H new ATOM 0 HB3 GLU A 652 -6.742 0.133 23.587 1.00 14.37 H new ATOM 0 HG2 GLU A 652 -5.247 1.851 24.332 1.00 14.63 H new ATOM 0 HG3 GLU A 652 -4.359 0.802 23.244 1.00 14.63 H new ATOM 460 N GLY A 653 -7.287 -1.681 20.304 1.00 13.37 N ATOM 461 CA GLY A 653 -8.161 -2.805 20.070 1.00 13.46 C ATOM 462 C GLY A 653 -8.070 -3.260 18.632 1.00 12.98 C ATOM 463 O GLY A 653 -7.283 -4.148 18.302 1.00 13.22 O ATOM 0 H GLY A 653 -6.595 -1.527 19.570 1.00 13.37 H new ATOM 0 HA2 GLY A 653 -7.892 -3.626 20.734 1.00 13.46 H new ATOM 0 HA3 GLY A 653 -9.189 -2.528 20.305 1.00 13.46 H new ATOM 467 N GLY A 654 -8.860 -2.636 17.774 1.00 12.43 N ATOM 468 CA GLY A 654 -8.778 -2.910 16.357 1.00 12.06 C ATOM 469 C GLY A 654 -9.638 -4.078 15.924 1.00 11.36 C ATOM 470 O GLY A 654 -9.232 -5.235 16.036 1.00 11.43 O ATOM 0 H GLY A 654 -9.560 -1.941 18.036 1.00 12.43 H new ATOM 0 HA2 GLY A 654 -9.079 -2.021 15.804 1.00 12.06 H new ATOM 0 HA3 GLY A 654 -7.740 -3.114 16.092 1.00 12.06 H new ATOM 474 N GLU A 655 -10.830 -3.776 15.436 1.00 10.85 N ATOM 475 CA GLU A 655 -11.709 -4.788 14.868 1.00 10.24 C ATOM 476 C GLU A 655 -11.364 -4.989 13.401 1.00 9.73 C ATOM 477 O GLU A 655 -12.100 -4.557 12.514 1.00 9.57 O ATOM 478 CB GLU A 655 -13.169 -4.358 15.007 1.00 10.26 C ATOM 479 CG GLU A 655 -13.617 -4.158 16.443 1.00 10.19 C ATOM 480 CD GLU A 655 -13.685 -5.452 17.220 1.00 10.69 C ATOM 481 OE1 GLU A 655 -12.733 -5.756 17.965 1.00 10.96 O ATOM 482 OE2 GLU A 655 -14.700 -6.168 17.097 1.00 10.98 O ATOM 0 H GLU A 655 -11.214 -2.831 15.422 1.00 10.85 H new ATOM 0 HA GLU A 655 -11.571 -5.726 15.406 1.00 10.24 H new ATOM 0 HB2 GLU A 655 -13.318 -3.428 14.458 1.00 10.26 H new ATOM 0 HB3 GLU A 655 -13.805 -5.110 14.540 1.00 10.26 H new ATOM 0 HG2 GLU A 655 -12.929 -3.476 16.942 1.00 10.19 H new ATOM 0 HG3 GLU A 655 -14.598 -3.683 16.450 1.00 10.19 H new ATOM 489 N TYR A 656 -10.236 -5.638 13.156 1.00 9.64 N ATOM 490 CA TYR A 656 -9.711 -5.777 11.807 1.00 9.25 C ATOM 491 C TYR A 656 -10.674 -6.556 10.924 1.00 8.16 C ATOM 492 O TYR A 656 -11.110 -7.657 11.272 1.00 8.22 O ATOM 493 CB TYR A 656 -8.344 -6.467 11.824 1.00 10.13 C ATOM 494 CG TYR A 656 -7.645 -6.459 10.480 1.00 10.38 C ATOM 495 CD1 TYR A 656 -6.860 -5.383 10.086 1.00 10.66 C ATOM 496 CD2 TYR A 656 -7.767 -7.535 9.609 1.00 10.57 C ATOM 497 CE1 TYR A 656 -6.217 -5.380 8.863 1.00 11.10 C ATOM 498 CE2 TYR A 656 -7.129 -7.537 8.386 1.00 10.97 C ATOM 499 CZ TYR A 656 -6.370 -6.430 8.010 1.00 11.23 C ATOM 500 OH TYR A 656 -5.717 -6.464 6.801 1.00 11.80 O ATOM 0 H TYR A 656 -9.665 -6.078 13.877 1.00 9.64 H new ATOM 0 HA TYR A 656 -9.594 -4.775 11.393 1.00 9.25 H new ATOM 0 HB2 TYR A 656 -7.707 -5.975 12.559 1.00 10.13 H new ATOM 0 HB3 TYR A 656 -8.471 -7.499 12.152 1.00 10.13 H new ATOM 0 HD1 TYR A 656 -6.750 -4.535 10.746 1.00 10.66 H new ATOM 0 HD2 TYR A 656 -8.371 -8.383 9.894 1.00 10.57 H new ATOM 0 HE1 TYR A 656 -5.593 -4.544 8.584 1.00 11.10 H new ATOM 0 HE2 TYR A 656 -7.217 -8.388 7.726 1.00 10.97 H new ATOM 0 HH TYR A 656 -5.947 -7.291 6.328 1.00 11.80 H new ATOM 510 N ASP A 657 -11.004 -5.970 9.783 1.00 7.39 N ATOM 511 CA ASP A 657 -11.870 -6.613 8.811 1.00 6.44 C ATOM 512 C ASP A 657 -11.149 -7.769 8.132 1.00 6.09 C ATOM 513 O ASP A 657 -10.319 -7.566 7.242 1.00 6.31 O ATOM 514 CB ASP A 657 -12.343 -5.601 7.770 1.00 6.14 C ATOM 515 CG ASP A 657 -13.033 -6.261 6.595 1.00 5.90 C ATOM 516 OD1 ASP A 657 -14.206 -6.667 6.745 1.00 5.94 O ATOM 517 OD2 ASP A 657 -12.409 -6.376 5.522 1.00 6.00 O ATOM 0 H ASP A 657 -10.681 -5.042 9.508 1.00 7.39 H new ATOM 0 HA ASP A 657 -12.740 -7.009 9.335 1.00 6.44 H new ATOM 0 HB2 ASP A 657 -13.027 -4.894 8.239 1.00 6.14 H new ATOM 0 HB3 ASP A 657 -11.489 -5.027 7.411 1.00 6.14 H new ATOM 522 N GLY A 658 -11.453 -8.977 8.576 1.00 5.88 N ATOM 523 CA GLY A 658 -10.861 -10.157 7.989 1.00 5.75 C ATOM 524 C GLY A 658 -11.775 -10.783 6.964 1.00 4.80 C ATOM 525 O GLY A 658 -12.419 -11.799 7.230 1.00 5.02 O ATOM 0 H GLY A 658 -12.105 -9.161 9.339 1.00 5.88 H new ATOM 0 HA2 GLY A 658 -9.913 -9.895 7.520 1.00 5.75 H new ATOM 0 HA3 GLY A 658 -10.640 -10.882 8.772 1.00 5.75 H new ATOM 529 N MET A 659 -11.857 -10.149 5.803 1.00 3.98 N ATOM 530 CA MET A 659 -12.687 -10.638 4.708 1.00 3.13 C ATOM 531 C MET A 659 -12.306 -12.066 4.320 1.00 2.86 C ATOM 532 O MET A 659 -11.135 -12.448 4.376 1.00 2.97 O ATOM 533 CB MET A 659 -12.556 -9.712 3.494 1.00 2.88 C ATOM 534 CG MET A 659 -11.160 -9.684 2.892 1.00 2.45 C ATOM 535 SD MET A 659 -11.000 -8.476 1.567 1.00 2.41 S ATOM 536 CE MET A 659 -9.332 -8.817 1.014 1.00 2.25 C ATOM 0 H MET A 659 -11.354 -9.287 5.593 1.00 3.98 H new ATOM 0 HA MET A 659 -13.723 -10.644 5.046 1.00 3.13 H new ATOM 0 HB2 MET A 659 -13.265 -10.028 2.729 1.00 2.88 H new ATOM 0 HB3 MET A 659 -12.835 -8.700 3.789 1.00 2.88 H new ATOM 0 HG2 MET A 659 -10.436 -9.457 3.674 1.00 2.45 H new ATOM 0 HG3 MET A 659 -10.915 -10.674 2.507 1.00 2.45 H new ATOM 0 HE1 MET A 659 -9.303 -8.816 -0.076 1.00 2.25 H new ATOM 0 HE2 MET A 659 -8.658 -8.050 1.396 1.00 2.25 H new ATOM 0 HE3 MET A 659 -9.018 -9.793 1.385 1.00 2.25 H new ATOM 546 N GLN A 660 -13.303 -12.847 3.927 1.00 3.00 N ATOM 547 CA GLN A 660 -13.091 -14.237 3.545 1.00 3.07 C ATOM 548 C GLN A 660 -12.597 -14.328 2.108 1.00 2.63 C ATOM 549 O GLN A 660 -13.267 -14.883 1.234 1.00 3.22 O ATOM 550 CB GLN A 660 -14.378 -15.046 3.698 1.00 3.99 C ATOM 551 CG GLN A 660 -14.822 -15.244 5.136 1.00 4.68 C ATOM 552 CD GLN A 660 -16.079 -16.084 5.234 1.00 5.55 C ATOM 553 OE1 GLN A 660 -16.928 -16.059 4.341 1.00 6.02 O ATOM 554 NE2 GLN A 660 -16.199 -16.847 6.307 1.00 6.10 N ATOM 0 H GLN A 660 -14.273 -12.539 3.864 1.00 3.00 H new ATOM 0 HA GLN A 660 -12.334 -14.653 4.209 1.00 3.07 H new ATOM 0 HB2 GLN A 660 -15.176 -14.546 3.149 1.00 3.99 H new ATOM 0 HB3 GLN A 660 -14.237 -16.023 3.235 1.00 3.99 H new ATOM 0 HG2 GLN A 660 -14.021 -15.723 5.699 1.00 4.68 H new ATOM 0 HG3 GLN A 660 -14.999 -14.272 5.597 1.00 4.68 H new ATOM 0 HE21 GLN A 660 -15.473 -16.838 7.023 1.00 6.10 H new ATOM 0 HE22 GLN A 660 -17.018 -17.445 6.419 1.00 6.10 H new ATOM 563 N ASP A 661 -11.428 -13.766 1.878 1.00 2.13 N ATOM 564 CA ASP A 661 -10.801 -13.789 0.569 1.00 2.09 C ATOM 565 C ASP A 661 -9.313 -13.557 0.731 1.00 1.75 C ATOM 566 O ASP A 661 -8.902 -12.728 1.545 1.00 1.98 O ATOM 567 CB ASP A 661 -11.400 -12.716 -0.342 1.00 2.69 C ATOM 568 CG ASP A 661 -10.875 -12.807 -1.760 1.00 3.26 C ATOM 569 OD1 ASP A 661 -10.196 -11.854 -2.206 1.00 3.86 O ATOM 570 OD2 ASP A 661 -11.123 -13.831 -2.430 1.00 3.59 O ATOM 0 H ASP A 661 -10.885 -13.280 2.592 1.00 2.13 H new ATOM 0 HA ASP A 661 -10.978 -14.761 0.108 1.00 2.09 H new ATOM 0 HB2 ASP A 661 -12.485 -12.815 -0.352 1.00 2.69 H new ATOM 0 HB3 ASP A 661 -11.174 -11.730 0.064 1.00 2.69 H new ATOM 575 N GLU A 662 -8.512 -14.303 -0.014 1.00 1.44 N ATOM 576 CA GLU A 662 -7.066 -14.189 0.085 1.00 1.24 C ATOM 577 C GLU A 662 -6.598 -12.813 -0.378 1.00 1.00 C ATOM 578 O GLU A 662 -6.756 -12.448 -1.545 1.00 1.01 O ATOM 579 CB GLU A 662 -6.371 -15.292 -0.721 1.00 1.40 C ATOM 580 CG GLU A 662 -6.784 -15.350 -2.181 1.00 1.93 C ATOM 581 CD GLU A 662 -6.030 -16.411 -2.946 1.00 2.45 C ATOM 582 OE1 GLU A 662 -4.973 -16.092 -3.532 1.00 2.64 O ATOM 583 OE2 GLU A 662 -6.478 -17.574 -2.951 1.00 3.19 O ATOM 0 H GLU A 662 -8.838 -14.992 -0.692 1.00 1.44 H new ATOM 0 HA GLU A 662 -6.792 -14.310 1.133 1.00 1.24 H new ATOM 0 HB2 GLU A 662 -5.293 -15.142 -0.666 1.00 1.40 H new ATOM 0 HB3 GLU A 662 -6.583 -16.255 -0.256 1.00 1.40 H new ATOM 0 HG2 GLU A 662 -7.854 -15.549 -2.246 1.00 1.93 H new ATOM 0 HG3 GLU A 662 -6.611 -14.379 -2.644 1.00 1.93 H new ATOM 590 N PRO A 663 -6.035 -12.015 0.535 1.00 0.86 N ATOM 591 CA PRO A 663 -5.576 -10.680 0.200 1.00 0.68 C ATOM 592 C PRO A 663 -4.246 -10.705 -0.547 1.00 0.57 C ATOM 593 O PRO A 663 -3.240 -11.204 -0.039 1.00 0.62 O ATOM 594 CB PRO A 663 -5.425 -10.003 1.561 1.00 0.69 C ATOM 595 CG PRO A 663 -5.183 -11.110 2.534 1.00 0.86 C ATOM 596 CD PRO A 663 -5.812 -12.354 1.952 1.00 0.97 C ATOM 0 HA PRO A 663 -6.265 -10.160 -0.466 1.00 0.68 H new ATOM 0 HB2 PRO A 663 -4.596 -9.296 1.557 1.00 0.69 H new ATOM 0 HB3 PRO A 663 -6.322 -9.441 1.821 1.00 0.69 H new ATOM 0 HG2 PRO A 663 -4.115 -11.256 2.694 1.00 0.86 H new ATOM 0 HG3 PRO A 663 -5.621 -10.874 3.504 1.00 0.86 H new ATOM 0 HD2 PRO A 663 -5.156 -13.218 2.057 1.00 0.97 H new ATOM 0 HD3 PRO A 663 -6.747 -12.600 2.455 1.00 0.97 H new ATOM 604 N ARG A 664 -4.248 -10.142 -1.745 1.00 0.52 N ATOM 605 CA ARG A 664 -3.054 -10.098 -2.577 1.00 0.49 C ATOM 606 C ARG A 664 -2.061 -9.086 -2.020 1.00 0.35 C ATOM 607 O ARG A 664 -0.842 -9.275 -2.094 1.00 0.34 O ATOM 608 CB ARG A 664 -3.438 -9.736 -4.017 1.00 0.65 C ATOM 609 CG ARG A 664 -2.264 -9.669 -4.979 1.00 1.17 C ATOM 610 CD ARG A 664 -2.716 -9.302 -6.384 1.00 1.16 C ATOM 611 NE ARG A 664 -1.600 -9.274 -7.327 1.00 1.69 N ATOM 612 CZ ARG A 664 -1.533 -8.459 -8.380 1.00 2.17 C ATOM 613 NH1 ARG A 664 -2.523 -7.611 -8.636 1.00 2.20 N ATOM 614 NH2 ARG A 664 -0.474 -8.490 -9.179 1.00 3.16 N ATOM 0 H ARG A 664 -5.069 -9.706 -2.166 1.00 0.52 H new ATOM 0 HA ARG A 664 -2.581 -11.080 -2.575 1.00 0.49 H new ATOM 0 HB2 ARG A 664 -4.153 -10.471 -4.386 1.00 0.65 H new ATOM 0 HB3 ARG A 664 -3.946 -8.771 -4.014 1.00 0.65 H new ATOM 0 HG2 ARG A 664 -1.543 -8.933 -4.624 1.00 1.17 H new ATOM 0 HG3 ARG A 664 -1.753 -10.632 -5.000 1.00 1.17 H new ATOM 0 HD2 ARG A 664 -3.461 -10.021 -6.725 1.00 1.16 H new ATOM 0 HD3 ARG A 664 -3.200 -8.326 -6.366 1.00 1.16 H new ATOM 0 HE ARG A 664 -0.824 -9.918 -7.170 1.00 1.69 H new ATOM 0 HH11 ARG A 664 -3.340 -7.581 -8.026 1.00 2.20 H new ATOM 0 HH12 ARG A 664 -2.466 -6.990 -9.443 1.00 2.20 H new ATOM 0 HH21 ARG A 664 0.290 -9.138 -8.988 1.00 3.16 H new ATOM 0 HH22 ARG A 664 -0.424 -7.866 -9.984 1.00 3.16 H new ATOM 628 N TYR A 665 -2.596 -8.027 -1.425 1.00 0.30 N ATOM 629 CA TYR A 665 -1.776 -6.935 -0.923 1.00 0.25 C ATOM 630 C TYR A 665 -0.855 -7.385 0.207 1.00 0.22 C ATOM 631 O TYR A 665 0.232 -6.849 0.364 1.00 0.22 O ATOM 632 CB TYR A 665 -2.647 -5.749 -0.487 1.00 0.27 C ATOM 633 CG TYR A 665 -3.797 -6.085 0.440 1.00 0.35 C ATOM 634 CD1 TYR A 665 -5.003 -6.557 -0.061 1.00 0.48 C ATOM 635 CD2 TYR A 665 -3.685 -5.905 1.812 1.00 0.42 C ATOM 636 CE1 TYR A 665 -6.063 -6.844 0.777 1.00 0.62 C ATOM 637 CE2 TYR A 665 -4.741 -6.193 2.658 1.00 0.56 C ATOM 638 CZ TYR A 665 -5.925 -6.661 2.136 1.00 0.64 C ATOM 639 OH TYR A 665 -6.974 -6.952 2.979 1.00 0.81 O ATOM 0 H TYR A 665 -3.598 -7.902 -1.279 1.00 0.30 H new ATOM 0 HA TYR A 665 -1.139 -6.606 -1.744 1.00 0.25 H new ATOM 0 HB2 TYR A 665 -2.009 -5.015 0.006 1.00 0.27 H new ATOM 0 HB3 TYR A 665 -3.051 -5.271 -1.379 1.00 0.27 H new ATOM 0 HD1 TYR A 665 -5.114 -6.702 -1.125 1.00 0.48 H new ATOM 0 HD2 TYR A 665 -2.759 -5.534 2.225 1.00 0.42 H new ATOM 0 HE1 TYR A 665 -6.994 -7.210 0.370 1.00 0.62 H new ATOM 0 HE2 TYR A 665 -4.637 -6.051 3.724 1.00 0.56 H new ATOM 0 HH TYR A 665 -6.648 -7.001 3.902 1.00 0.81 H new ATOM 649 N MET A 666 -1.271 -8.390 0.967 1.00 0.25 N ATOM 650 CA MET A 666 -0.448 -8.893 2.064 1.00 0.28 C ATOM 651 C MET A 666 0.753 -9.658 1.529 1.00 0.25 C ATOM 652 O MET A 666 1.859 -9.539 2.050 1.00 0.25 O ATOM 653 CB MET A 666 -1.261 -9.781 3.007 1.00 0.37 C ATOM 654 CG MET A 666 -2.002 -9.008 4.087 1.00 0.48 C ATOM 655 SD MET A 666 -0.889 -8.059 5.142 1.00 1.17 S ATOM 656 CE MET A 666 -2.047 -7.371 6.326 1.00 1.14 C ATOM 0 H MET A 666 -2.163 -8.870 0.848 1.00 0.25 H new ATOM 0 HA MET A 666 -0.092 -8.032 2.630 1.00 0.28 H new ATOM 0 HB2 MET A 666 -1.982 -10.353 2.422 1.00 0.37 H new ATOM 0 HB3 MET A 666 -0.593 -10.500 3.481 1.00 0.37 H new ATOM 0 HG2 MET A 666 -2.718 -8.333 3.619 1.00 0.48 H new ATOM 0 HG3 MET A 666 -2.574 -9.704 4.701 1.00 0.48 H new ATOM 0 HE1 MET A 666 -1.508 -6.757 7.047 1.00 1.14 H new ATOM 0 HE2 MET A 666 -2.780 -6.757 5.803 1.00 1.14 H new ATOM 0 HE3 MET A 666 -2.557 -8.180 6.848 1.00 1.14 H new ATOM 666 N MET A 667 0.537 -10.412 0.463 1.00 0.26 N ATOM 667 CA MET A 667 1.607 -11.181 -0.153 1.00 0.27 C ATOM 668 C MET A 667 2.587 -10.236 -0.846 1.00 0.23 C ATOM 669 O MET A 667 3.811 -10.381 -0.735 1.00 0.23 O ATOM 670 CB MET A 667 1.018 -12.179 -1.152 1.00 0.34 C ATOM 671 CG MET A 667 2.050 -13.046 -1.857 1.00 0.47 C ATOM 672 SD MET A 667 1.296 -14.284 -2.931 1.00 1.20 S ATOM 673 CE MET A 667 0.334 -13.249 -4.032 1.00 1.10 C ATOM 0 H MET A 667 -0.370 -10.508 0.006 1.00 0.26 H new ATOM 0 HA MET A 667 2.145 -11.737 0.614 1.00 0.27 H new ATOM 0 HB2 MET A 667 0.314 -12.826 -0.628 1.00 0.34 H new ATOM 0 HB3 MET A 667 0.449 -11.630 -1.902 1.00 0.34 H new ATOM 0 HG2 MET A 667 2.710 -12.411 -2.448 1.00 0.47 H new ATOM 0 HG3 MET A 667 2.670 -13.545 -1.112 1.00 0.47 H new ATOM 0 HE1 MET A 667 0.074 -13.814 -4.927 1.00 1.10 H new ATOM 0 HE2 MET A 667 -0.577 -12.929 -3.527 1.00 1.10 H new ATOM 0 HE3 MET A 667 0.920 -12.373 -4.313 1.00 1.10 H new ATOM 683 N LEU A 668 2.036 -9.248 -1.537 1.00 0.21 N ATOM 684 CA LEU A 668 2.851 -8.237 -2.199 1.00 0.19 C ATOM 685 C LEU A 668 3.586 -7.383 -1.170 1.00 0.17 C ATOM 686 O LEU A 668 4.726 -6.973 -1.395 1.00 0.17 O ATOM 687 CB LEU A 668 1.996 -7.354 -3.115 1.00 0.21 C ATOM 688 CG LEU A 668 1.776 -7.883 -4.539 1.00 0.30 C ATOM 689 CD1 LEU A 668 1.230 -9.302 -4.531 1.00 0.82 C ATOM 690 CD2 LEU A 668 0.836 -6.965 -5.302 1.00 0.80 C ATOM 0 H LEU A 668 1.030 -9.124 -1.654 1.00 0.21 H new ATOM 0 HA LEU A 668 3.589 -8.750 -2.816 1.00 0.19 H new ATOM 0 HB2 LEU A 668 1.022 -7.213 -2.646 1.00 0.21 H new ATOM 0 HB3 LEU A 668 2.464 -6.372 -3.181 1.00 0.21 H new ATOM 0 HG LEU A 668 2.744 -7.901 -5.039 1.00 0.30 H new ATOM 0 HD11 LEU A 668 1.087 -9.643 -5.556 1.00 0.82 H new ATOM 0 HD12 LEU A 668 1.936 -9.961 -4.025 1.00 0.82 H new ATOM 0 HD13 LEU A 668 0.275 -9.321 -4.006 1.00 0.82 H new ATOM 0 HD21 LEU A 668 0.689 -7.352 -6.310 1.00 0.80 H new ATOM 0 HD22 LEU A 668 -0.124 -6.918 -4.787 1.00 0.80 H new ATOM 0 HD23 LEU A 668 1.268 -5.966 -5.356 1.00 0.80 H new ATOM 702 N ALA A 669 2.954 -7.156 -0.020 1.00 0.18 N ATOM 703 CA ALA A 669 3.566 -6.363 1.033 1.00 0.19 C ATOM 704 C ALA A 669 4.629 -7.176 1.753 1.00 0.20 C ATOM 705 O ALA A 669 5.628 -6.627 2.212 1.00 0.22 O ATOM 706 CB ALA A 669 2.523 -5.864 2.022 1.00 0.23 C ATOM 0 H ALA A 669 2.023 -7.510 0.201 1.00 0.18 H new ATOM 0 HA ALA A 669 4.036 -5.494 0.572 1.00 0.19 H new ATOM 0 HB1 ALA A 669 3.010 -5.274 2.798 1.00 0.23 H new ATOM 0 HB2 ALA A 669 1.793 -5.245 1.500 1.00 0.23 H new ATOM 0 HB3 ALA A 669 2.017 -6.715 2.477 1.00 0.23 H new ATOM 712 N ARG A 670 4.413 -8.486 1.851 1.00 0.22 N ATOM 713 CA ARG A 670 5.414 -9.371 2.420 1.00 0.26 C ATOM 714 C ARG A 670 6.674 -9.327 1.575 1.00 0.23 C ATOM 715 O ARG A 670 7.780 -9.184 2.099 1.00 0.25 O ATOM 716 CB ARG A 670 4.915 -10.813 2.500 1.00 0.33 C ATOM 717 CG ARG A 670 5.949 -11.754 3.097 1.00 0.41 C ATOM 718 CD ARG A 670 5.582 -13.212 2.896 1.00 0.83 C ATOM 719 NE ARG A 670 6.618 -14.106 3.413 1.00 1.62 N ATOM 720 CZ ARG A 670 6.787 -15.365 3.009 1.00 2.33 C ATOM 721 NH1 ARG A 670 5.969 -15.888 2.101 1.00 2.41 N ATOM 722 NH2 ARG A 670 7.769 -16.099 3.518 1.00 3.33 N ATOM 0 H ARG A 670 3.558 -8.951 1.545 1.00 0.22 H new ATOM 0 HA ARG A 670 5.624 -9.026 3.432 1.00 0.26 H new ATOM 0 HB2 ARG A 670 4.007 -10.847 3.102 1.00 0.33 H new ATOM 0 HB3 ARG A 670 4.648 -11.158 1.501 1.00 0.33 H new ATOM 0 HG2 ARG A 670 6.920 -11.560 2.642 1.00 0.41 H new ATOM 0 HG3 ARG A 670 6.050 -11.550 4.163 1.00 0.41 H new ATOM 0 HD2 ARG A 670 4.637 -13.422 3.397 1.00 0.83 H new ATOM 0 HD3 ARG A 670 5.430 -13.406 1.834 1.00 0.83 H new ATOM 0 HE ARG A 670 7.250 -13.744 4.127 1.00 1.62 H new ATOM 0 HH11 ARG A 670 5.211 -15.326 1.713 1.00 2.41 H new ATOM 0 HH12 ARG A 670 6.099 -16.851 1.792 1.00 2.41 H new ATOM 0 HH21 ARG A 670 8.394 -15.700 4.218 1.00 3.33 H new ATOM 0 HH22 ARG A 670 7.898 -17.062 3.209 1.00 3.33 H new ATOM 736 N GLU A 671 6.502 -9.422 0.257 1.00 0.22 N ATOM 737 CA GLU A 671 7.635 -9.353 -0.648 1.00 0.23 C ATOM 738 C GLU A 671 8.282 -7.978 -0.541 1.00 0.19 C ATOM 739 O GLU A 671 9.501 -7.859 -0.449 1.00 0.21 O ATOM 740 CB GLU A 671 7.192 -9.640 -2.085 1.00 0.30 C ATOM 741 CG GLU A 671 8.329 -9.606 -3.096 1.00 0.38 C ATOM 742 CD GLU A 671 7.923 -10.119 -4.464 1.00 0.99 C ATOM 743 OE1 GLU A 671 8.680 -9.900 -5.437 1.00 1.89 O ATOM 744 OE2 GLU A 671 6.852 -10.752 -4.577 1.00 1.11 O ATOM 0 H GLU A 671 5.598 -9.545 -0.198 1.00 0.22 H new ATOM 0 HA GLU A 671 8.367 -10.111 -0.370 1.00 0.23 H new ATOM 0 HB2 GLU A 671 6.716 -10.620 -2.120 1.00 0.30 H new ATOM 0 HB3 GLU A 671 6.438 -8.909 -2.376 1.00 0.30 H new ATOM 0 HG2 GLU A 671 8.692 -8.583 -3.191 1.00 0.38 H new ATOM 0 HG3 GLU A 671 9.159 -10.205 -2.721 1.00 0.38 H new ATOM 751 N ALA A 672 7.447 -6.945 -0.527 1.00 0.17 N ATOM 752 CA ALA A 672 7.912 -5.580 -0.327 1.00 0.18 C ATOM 753 C ALA A 672 8.750 -5.451 0.941 1.00 0.20 C ATOM 754 O ALA A 672 9.796 -4.808 0.937 1.00 0.23 O ATOM 755 CB ALA A 672 6.732 -4.628 -0.262 1.00 0.21 C ATOM 0 H ALA A 672 6.438 -7.030 -0.653 1.00 0.17 H new ATOM 0 HA ALA A 672 8.543 -5.320 -1.177 1.00 0.18 H new ATOM 0 HB1 ALA A 672 7.093 -3.611 -0.112 1.00 0.21 H new ATOM 0 HB2 ALA A 672 6.171 -4.680 -1.195 1.00 0.21 H new ATOM 0 HB3 ALA A 672 6.083 -4.909 0.568 1.00 0.21 H new ATOM 761 N GLU A 673 8.291 -6.073 2.020 1.00 0.22 N ATOM 762 CA GLU A 673 8.988 -6.009 3.294 1.00 0.28 C ATOM 763 C GLU A 673 10.299 -6.783 3.224 1.00 0.28 C ATOM 764 O GLU A 673 11.316 -6.353 3.769 1.00 0.31 O ATOM 765 CB GLU A 673 8.105 -6.559 4.412 1.00 0.34 C ATOM 766 CG GLU A 673 8.683 -6.352 5.800 1.00 0.70 C ATOM 767 CD GLU A 673 7.753 -6.830 6.891 1.00 1.08 C ATOM 768 OE1 GLU A 673 6.794 -6.104 7.224 1.00 1.16 O ATOM 769 OE2 GLU A 673 7.982 -7.934 7.430 1.00 1.76 O ATOM 0 H GLU A 673 7.436 -6.629 2.036 1.00 0.22 H new ATOM 0 HA GLU A 673 9.214 -4.965 3.512 1.00 0.28 H new ATOM 0 HB2 GLU A 673 7.127 -6.081 4.360 1.00 0.34 H new ATOM 0 HB3 GLU A 673 7.948 -7.625 4.248 1.00 0.34 H new ATOM 0 HG2 GLU A 673 9.632 -6.882 5.878 1.00 0.70 H new ATOM 0 HG3 GLU A 673 8.897 -5.293 5.947 1.00 0.70 H new ATOM 776 N MET A 674 10.276 -7.912 2.523 1.00 0.27 N ATOM 777 CA MET A 674 11.479 -8.714 2.341 1.00 0.31 C ATOM 778 C MET A 674 12.470 -7.986 1.442 1.00 0.29 C ATOM 779 O MET A 674 13.677 -8.186 1.544 1.00 0.34 O ATOM 780 CB MET A 674 11.150 -10.096 1.761 1.00 0.36 C ATOM 781 CG MET A 674 10.372 -10.992 2.714 1.00 0.54 C ATOM 782 SD MET A 674 10.307 -12.712 2.166 1.00 0.60 S ATOM 783 CE MET A 674 9.443 -12.553 0.605 1.00 0.79 C ATOM 0 H MET A 674 9.442 -8.290 2.074 1.00 0.27 H new ATOM 0 HA MET A 674 11.932 -8.862 3.321 1.00 0.31 H new ATOM 0 HB2 MET A 674 10.573 -9.968 0.845 1.00 0.36 H new ATOM 0 HB3 MET A 674 12.079 -10.595 1.485 1.00 0.36 H new ATOM 0 HG2 MET A 674 10.830 -10.948 3.702 1.00 0.54 H new ATOM 0 HG3 MET A 674 9.356 -10.610 2.816 1.00 0.54 H new ATOM 0 HE1 MET A 674 9.267 -13.543 0.184 1.00 0.79 H new ATOM 0 HE2 MET A 674 8.489 -12.052 0.767 1.00 0.79 H new ATOM 0 HE3 MET A 674 10.047 -11.967 -0.087 1.00 0.79 H new ATOM 793 N LEU A 675 11.960 -7.128 0.567 1.00 0.26 N ATOM 794 CA LEU A 675 12.811 -6.299 -0.273 1.00 0.27 C ATOM 795 C LEU A 675 13.181 -5.010 0.455 1.00 0.30 C ATOM 796 O LEU A 675 14.118 -4.320 0.074 1.00 0.39 O ATOM 797 CB LEU A 675 12.110 -5.963 -1.599 1.00 0.27 C ATOM 798 CG LEU A 675 12.324 -6.950 -2.759 1.00 0.32 C ATOM 799 CD1 LEU A 675 13.784 -6.989 -3.171 1.00 0.53 C ATOM 800 CD2 LEU A 675 11.843 -8.346 -2.396 1.00 0.47 C ATOM 0 H LEU A 675 10.960 -6.989 0.422 1.00 0.26 H new ATOM 0 HA LEU A 675 13.719 -6.861 -0.491 1.00 0.27 H new ATOM 0 HB2 LEU A 675 11.039 -5.887 -1.409 1.00 0.27 H new ATOM 0 HB3 LEU A 675 12.447 -4.978 -1.923 1.00 0.27 H new ATOM 0 HG LEU A 675 11.731 -6.597 -3.603 1.00 0.32 H new ATOM 0 HD11 LEU A 675 13.911 -7.694 -3.993 1.00 0.53 H new ATOM 0 HD12 LEU A 675 14.098 -5.996 -3.493 1.00 0.53 H new ATOM 0 HD13 LEU A 675 14.393 -7.305 -2.324 1.00 0.53 H new ATOM 0 HD21 LEU A 675 12.009 -9.018 -3.238 1.00 0.47 H new ATOM 0 HD22 LEU A 675 12.396 -8.707 -1.529 1.00 0.47 H new ATOM 0 HD23 LEU A 675 10.779 -8.315 -2.161 1.00 0.47 H new ATOM 812 N PHE A 676 12.430 -4.684 1.497 1.00 0.30 N ATOM 813 CA PHE A 676 12.678 -3.471 2.262 1.00 0.37 C ATOM 814 C PHE A 676 13.762 -3.681 3.307 1.00 0.42 C ATOM 815 O PHE A 676 14.801 -3.028 3.270 1.00 0.46 O ATOM 816 CB PHE A 676 11.397 -2.989 2.951 1.00 0.44 C ATOM 817 CG PHE A 676 11.577 -1.705 3.712 1.00 0.56 C ATOM 818 CD1 PHE A 676 11.332 -1.650 5.074 1.00 0.68 C ATOM 819 CD2 PHE A 676 11.998 -0.553 3.067 1.00 0.69 C ATOM 820 CE1 PHE A 676 11.502 -0.472 5.774 1.00 0.78 C ATOM 821 CE2 PHE A 676 12.169 0.626 3.763 1.00 0.82 C ATOM 822 CZ PHE A 676 11.920 0.667 5.117 1.00 0.82 C ATOM 0 H PHE A 676 11.645 -5.242 1.832 1.00 0.30 H new ATOM 0 HA PHE A 676 13.017 -2.713 1.556 1.00 0.37 H new ATOM 0 HB2 PHE A 676 10.619 -2.852 2.200 1.00 0.44 H new ATOM 0 HB3 PHE A 676 11.048 -3.763 3.635 1.00 0.44 H new ATOM 0 HD1 PHE A 676 11.004 -2.538 5.594 1.00 0.68 H new ATOM 0 HD2 PHE A 676 12.195 -0.578 2.005 1.00 0.69 H new ATOM 0 HE1 PHE A 676 11.308 -0.442 6.836 1.00 0.78 H new ATOM 0 HE2 PHE A 676 12.498 1.516 3.247 1.00 0.82 H new ATOM 0 HZ PHE A 676 12.052 1.589 5.664 1.00 0.82 H new ATOM 832 N THR A 677 13.519 -4.585 4.242 1.00 0.47 N ATOM 833 CA THR A 677 14.424 -4.759 5.366 1.00 0.57 C ATOM 834 C THR A 677 15.306 -5.993 5.187 1.00 0.65 C ATOM 835 O THR A 677 16.161 -6.290 6.025 1.00 0.89 O ATOM 836 CB THR A 677 13.640 -4.849 6.697 1.00 0.77 C ATOM 837 OG1 THR A 677 14.541 -4.788 7.810 1.00 1.45 O ATOM 838 CG2 THR A 677 12.821 -6.131 6.772 1.00 0.97 C ATOM 0 H THR A 677 12.709 -5.205 4.246 1.00 0.47 H new ATOM 0 HA THR A 677 15.072 -3.883 5.402 1.00 0.57 H new ATOM 0 HB THR A 677 12.956 -4.001 6.736 1.00 0.77 H new ATOM 0 HG1 THR A 677 15.368 -5.264 7.587 1.00 1.45 H new ATOM 0 HG21 THR A 677 12.282 -6.164 7.719 1.00 0.97 H new ATOM 0 HG22 THR A 677 12.108 -6.156 5.948 1.00 0.97 H new ATOM 0 HG23 THR A 677 13.486 -6.992 6.703 1.00 0.97 H new ATOM 846 N GLY A 678 15.107 -6.701 4.084 1.00 0.61 N ATOM 847 CA GLY A 678 15.881 -7.897 3.833 1.00 0.76 C ATOM 848 C GLY A 678 15.133 -9.146 4.243 1.00 1.01 C ATOM 849 O GLY A 678 14.635 -9.237 5.367 1.00 1.40 O ATOM 0 H GLY A 678 14.426 -6.469 3.361 1.00 0.61 H new ATOM 0 HA2 GLY A 678 16.129 -7.953 2.773 1.00 0.76 H new ATOM 0 HA3 GLY A 678 16.823 -7.842 4.379 1.00 0.76 H new ATOM 853 N GLY A 679 15.042 -10.102 3.337 1.00 1.33 N ATOM 854 CA GLY A 679 14.340 -11.330 3.624 1.00 1.95 C ATOM 855 C GLY A 679 15.196 -12.544 3.358 1.00 1.80 C ATOM 856 O GLY A 679 16.260 -12.434 2.748 1.00 2.07 O ATOM 0 H GLY A 679 15.445 -10.048 2.401 1.00 1.33 H new ATOM 0 HA2 GLY A 679 14.023 -11.331 4.667 1.00 1.95 H new ATOM 0 HA3 GLY A 679 13.437 -11.382 3.016 1.00 1.95 H new ATOM 860 N TYR A 680 14.733 -13.699 3.808 1.00 1.93 N ATOM 861 CA TYR A 680 15.462 -14.946 3.622 1.00 2.05 C ATOM 862 C TYR A 680 15.396 -15.395 2.166 1.00 1.75 C ATOM 863 O TYR A 680 14.545 -16.203 1.793 1.00 2.00 O ATOM 864 CB TYR A 680 14.898 -16.038 4.531 1.00 2.63 C ATOM 865 CG TYR A 680 15.100 -15.770 6.004 1.00 3.13 C ATOM 866 CD1 TYR A 680 16.284 -16.126 6.636 1.00 3.63 C ATOM 867 CD2 TYR A 680 14.105 -15.171 6.763 1.00 3.37 C ATOM 868 CE1 TYR A 680 16.471 -15.894 7.984 1.00 4.26 C ATOM 869 CE2 TYR A 680 14.285 -14.934 8.111 1.00 3.94 C ATOM 870 CZ TYR A 680 15.470 -15.298 8.716 1.00 4.36 C ATOM 871 OH TYR A 680 15.647 -15.073 10.062 1.00 5.05 O ATOM 0 H TYR A 680 13.850 -13.800 4.308 1.00 1.93 H new ATOM 0 HA TYR A 680 16.505 -14.772 3.887 1.00 2.05 H new ATOM 0 HB2 TYR A 680 13.831 -16.147 4.334 1.00 2.63 H new ATOM 0 HB3 TYR A 680 15.368 -16.988 4.276 1.00 2.63 H new ATOM 0 HD1 TYR A 680 17.072 -16.592 6.063 1.00 3.63 H new ATOM 0 HD2 TYR A 680 13.176 -14.886 6.292 1.00 3.37 H new ATOM 0 HE1 TYR A 680 17.397 -16.179 8.461 1.00 4.26 H new ATOM 0 HE2 TYR A 680 13.502 -14.466 8.689 1.00 3.94 H new ATOM 0 HH TYR A 680 14.846 -14.644 10.430 1.00 5.05 H new ATOM 881 N GLY A 681 16.288 -14.856 1.348 1.00 1.41 N ATOM 882 CA GLY A 681 16.309 -15.199 -0.058 1.00 1.29 C ATOM 883 C GLY A 681 16.104 -13.985 -0.933 1.00 1.11 C ATOM 884 O GLY A 681 16.348 -14.029 -2.137 1.00 1.20 O ATOM 0 H GLY A 681 17.000 -14.185 1.635 1.00 1.41 H new ATOM 0 HA2 GLY A 681 17.262 -15.668 -0.304 1.00 1.29 H new ATOM 0 HA3 GLY A 681 15.530 -15.933 -0.265 1.00 1.29 H new ATOM 888 N LEU A 682 15.641 -12.901 -0.327 1.00 0.95 N ATOM 889 CA LEU A 682 15.425 -11.655 -1.043 1.00 0.84 C ATOM 890 C LEU A 682 16.396 -10.590 -0.554 1.00 0.76 C ATOM 891 O LEU A 682 16.416 -10.256 0.632 1.00 0.82 O ATOM 892 CB LEU A 682 13.981 -11.158 -0.876 1.00 0.88 C ATOM 893 CG LEU A 682 12.887 -11.950 -1.616 1.00 1.02 C ATOM 894 CD1 LEU A 682 13.228 -12.104 -3.090 1.00 1.10 C ATOM 895 CD2 LEU A 682 12.659 -13.312 -0.976 1.00 1.38 C ATOM 0 H LEU A 682 15.407 -12.861 0.665 1.00 0.95 H new ATOM 0 HA LEU A 682 15.601 -11.845 -2.102 1.00 0.84 H new ATOM 0 HB2 LEU A 682 13.742 -11.159 0.187 1.00 0.88 H new ATOM 0 HB3 LEU A 682 13.937 -10.122 -1.211 1.00 0.88 H new ATOM 0 HG LEU A 682 11.961 -11.381 -1.535 1.00 1.02 H new ATOM 0 HD11 LEU A 682 12.439 -12.667 -3.589 1.00 1.10 H new ATOM 0 HD12 LEU A 682 13.316 -11.119 -3.548 1.00 1.10 H new ATOM 0 HD13 LEU A 682 14.174 -12.637 -3.191 1.00 1.10 H new ATOM 0 HD21 LEU A 682 11.881 -13.845 -1.522 1.00 1.38 H new ATOM 0 HD22 LEU A 682 13.584 -13.888 -1.007 1.00 1.38 H new ATOM 0 HD23 LEU A 682 12.349 -13.180 0.060 1.00 1.38 H new ATOM 907 N GLU A 683 17.198 -10.069 -1.467 1.00 0.78 N ATOM 908 CA GLU A 683 18.148 -9.014 -1.150 1.00 0.79 C ATOM 909 C GLU A 683 17.426 -7.672 -1.143 1.00 0.68 C ATOM 910 O GLU A 683 16.668 -7.368 -2.063 1.00 0.78 O ATOM 911 CB GLU A 683 19.279 -9.011 -2.182 1.00 0.99 C ATOM 912 CG GLU A 683 20.437 -8.097 -1.829 1.00 1.48 C ATOM 913 CD GLU A 683 21.052 -8.435 -0.489 1.00 2.22 C ATOM 914 OE1 GLU A 683 21.597 -9.549 -0.348 1.00 2.83 O ATOM 915 OE2 GLU A 683 21.002 -7.587 0.425 1.00 2.76 O ATOM 0 H GLU A 683 17.210 -10.363 -2.444 1.00 0.78 H new ATOM 0 HA GLU A 683 18.579 -9.189 -0.164 1.00 0.79 H new ATOM 0 HB2 GLU A 683 19.655 -10.028 -2.297 1.00 0.99 H new ATOM 0 HB3 GLU A 683 18.874 -8.710 -3.148 1.00 0.99 H new ATOM 0 HG2 GLU A 683 21.200 -8.167 -2.604 1.00 1.48 H new ATOM 0 HG3 GLU A 683 20.090 -7.064 -1.816 1.00 1.48 H new ATOM 922 N LYS A 684 17.653 -6.876 -0.104 1.00 0.64 N ATOM 923 CA LYS A 684 16.917 -5.628 0.066 1.00 0.59 C ATOM 924 C LYS A 684 17.272 -4.603 -1.012 1.00 0.52 C ATOM 925 O LYS A 684 18.428 -4.479 -1.427 1.00 0.69 O ATOM 926 CB LYS A 684 17.145 -5.026 1.460 1.00 0.70 C ATOM 927 CG LYS A 684 18.547 -4.477 1.691 1.00 0.85 C ATOM 928 CD LYS A 684 18.662 -3.792 3.046 1.00 0.94 C ATOM 929 CE LYS A 684 17.750 -2.576 3.135 1.00 1.09 C ATOM 930 NZ LYS A 684 17.862 -1.885 4.443 1.00 1.72 N ATOM 0 H LYS A 684 18.336 -7.070 0.629 1.00 0.64 H new ATOM 0 HA LYS A 684 15.860 -5.875 -0.037 1.00 0.59 H new ATOM 0 HB2 LYS A 684 16.424 -4.224 1.617 1.00 0.70 H new ATOM 0 HB3 LYS A 684 16.940 -5.790 2.210 1.00 0.70 H new ATOM 0 HG2 LYS A 684 19.271 -5.289 1.630 1.00 0.85 H new ATOM 0 HG3 LYS A 684 18.796 -3.768 0.901 1.00 0.85 H new ATOM 0 HD2 LYS A 684 18.406 -4.499 3.835 1.00 0.94 H new ATOM 0 HD3 LYS A 684 19.695 -3.487 3.214 1.00 0.94 H new ATOM 0 HE2 LYS A 684 17.999 -1.878 2.335 1.00 1.09 H new ATOM 0 HE3 LYS A 684 16.717 -2.887 2.977 1.00 1.09 H new ATOM 0 HZ1 LYS A 684 17.447 -0.934 4.370 1.00 1.72 H new ATOM 0 HZ2 LYS A 684 17.353 -2.430 5.168 1.00 1.72 H new ATOM 0 HZ3 LYS A 684 18.864 -1.806 4.709 1.00 1.72 H new ATOM 944 N ASP A 685 16.250 -3.887 -1.455 1.00 0.36 N ATOM 945 CA ASP A 685 16.382 -2.824 -2.439 1.00 0.32 C ATOM 946 C ASP A 685 15.229 -1.837 -2.269 1.00 0.27 C ATOM 947 O ASP A 685 14.066 -2.195 -2.475 1.00 0.26 O ATOM 948 CB ASP A 685 16.372 -3.384 -3.865 1.00 0.35 C ATOM 949 CG ASP A 685 16.295 -2.282 -4.903 1.00 0.95 C ATOM 950 OD1 ASP A 685 17.298 -1.562 -5.092 1.00 1.09 O ATOM 951 OD2 ASP A 685 15.232 -2.126 -5.532 1.00 1.68 O ATOM 0 H ASP A 685 15.292 -4.030 -1.136 1.00 0.36 H new ATOM 0 HA ASP A 685 17.335 -2.320 -2.279 1.00 0.32 H new ATOM 0 HB2 ASP A 685 17.273 -3.976 -4.029 1.00 0.35 H new ATOM 0 HB3 ASP A 685 15.523 -4.056 -3.985 1.00 0.35 H new ATOM 956 N PRO A 686 15.537 -0.588 -1.860 1.00 0.29 N ATOM 957 CA PRO A 686 14.524 0.451 -1.608 1.00 0.29 C ATOM 958 C PRO A 686 13.562 0.664 -2.777 1.00 0.25 C ATOM 959 O PRO A 686 12.400 1.016 -2.572 1.00 0.25 O ATOM 960 CB PRO A 686 15.354 1.717 -1.374 1.00 0.37 C ATOM 961 CG PRO A 686 16.671 1.224 -0.888 1.00 0.42 C ATOM 962 CD PRO A 686 16.904 -0.096 -1.581 1.00 0.37 C ATOM 0 HA PRO A 686 13.883 0.173 -0.772 1.00 0.29 H new ATOM 0 HB2 PRO A 686 15.462 2.294 -2.292 1.00 0.37 H new ATOM 0 HB3 PRO A 686 14.881 2.370 -0.641 1.00 0.37 H new ATOM 0 HG2 PRO A 686 17.464 1.934 -1.124 1.00 0.42 H new ATOM 0 HG3 PRO A 686 16.666 1.100 0.195 1.00 0.42 H new ATOM 0 HD2 PRO A 686 17.480 0.029 -2.498 1.00 0.37 H new ATOM 0 HD3 PRO A 686 17.458 -0.789 -0.948 1.00 0.37 H new ATOM 970 N GLN A 687 14.035 0.443 -3.997 1.00 0.25 N ATOM 971 CA GLN A 687 13.203 0.661 -5.168 1.00 0.27 C ATOM 972 C GLN A 687 12.144 -0.429 -5.266 1.00 0.23 C ATOM 973 O GLN A 687 10.948 -0.130 -5.353 1.00 0.24 O ATOM 974 CB GLN A 687 14.047 0.715 -6.445 1.00 0.35 C ATOM 975 CG GLN A 687 13.296 1.283 -7.646 1.00 0.65 C ATOM 976 CD GLN A 687 12.290 0.313 -8.248 1.00 1.23 C ATOM 977 OE1 GLN A 687 12.513 -0.897 -8.278 1.00 2.21 O ATOM 978 NE2 GLN A 687 11.155 0.834 -8.685 1.00 1.23 N ATOM 0 H GLN A 687 14.980 0.117 -4.198 1.00 0.25 H new ATOM 0 HA GLN A 687 12.706 1.625 -5.061 1.00 0.27 H new ATOM 0 HB2 GLN A 687 14.933 1.322 -6.260 1.00 0.35 H new ATOM 0 HB3 GLN A 687 14.394 -0.290 -6.685 1.00 0.35 H new ATOM 0 HG2 GLN A 687 12.776 2.191 -7.342 1.00 0.65 H new ATOM 0 HG3 GLN A 687 14.016 1.569 -8.413 1.00 0.65 H new ATOM 0 HE21 GLN A 687 11.007 1.842 -8.643 1.00 1.23 H new ATOM 0 HE22 GLN A 687 10.428 0.227 -9.063 1.00 1.23 H new ATOM 987 N ARG A 688 12.577 -1.689 -5.217 1.00 0.22 N ATOM 988 CA ARG A 688 11.653 -2.812 -5.305 1.00 0.23 C ATOM 989 C ARG A 688 10.691 -2.773 -4.136 1.00 0.18 C ATOM 990 O ARG A 688 9.519 -3.128 -4.268 1.00 0.20 O ATOM 991 CB ARG A 688 12.396 -4.150 -5.298 1.00 0.29 C ATOM 992 CG ARG A 688 13.136 -4.467 -6.586 1.00 0.70 C ATOM 993 CD ARG A 688 13.806 -5.828 -6.506 1.00 0.78 C ATOM 994 NE ARG A 688 14.425 -6.220 -7.771 1.00 1.67 N ATOM 995 CZ ARG A 688 14.796 -7.466 -8.060 1.00 2.16 C ATOM 996 NH1 ARG A 688 14.590 -8.444 -7.183 1.00 1.85 N ATOM 997 NH2 ARG A 688 15.366 -7.738 -9.228 1.00 3.24 N ATOM 0 H ARG A 688 13.557 -1.953 -5.117 1.00 0.22 H new ATOM 0 HA ARG A 688 11.109 -2.725 -6.245 1.00 0.23 H new ATOM 0 HB2 ARG A 688 13.110 -4.150 -4.474 1.00 0.29 H new ATOM 0 HB3 ARG A 688 11.680 -4.948 -5.100 1.00 0.29 H new ATOM 0 HG2 ARG A 688 12.439 -4.449 -7.424 1.00 0.70 H new ATOM 0 HG3 ARG A 688 13.885 -3.699 -6.778 1.00 0.70 H new ATOM 0 HD2 ARG A 688 14.565 -5.811 -5.723 1.00 0.78 H new ATOM 0 HD3 ARG A 688 13.068 -6.577 -6.218 1.00 0.78 H new ATOM 0 HE ARG A 688 14.582 -5.497 -8.473 1.00 1.67 H new ATOM 0 HH11 ARG A 688 14.147 -8.241 -6.287 1.00 1.85 H new ATOM 0 HH12 ARG A 688 14.875 -9.398 -7.406 1.00 1.85 H new ATOM 0 HH21 ARG A 688 15.521 -6.992 -9.906 1.00 3.24 H new ATOM 0 HH22 ARG A 688 15.649 -8.693 -9.447 1.00 3.24 H new ATOM 1011 N SER A 689 11.204 -2.342 -2.990 1.00 0.16 N ATOM 1012 CA SER A 689 10.389 -2.167 -1.806 1.00 0.17 C ATOM 1013 C SER A 689 9.175 -1.304 -2.120 1.00 0.15 C ATOM 1014 O SER A 689 8.035 -1.743 -1.945 1.00 0.16 O ATOM 1015 CB SER A 689 11.207 -1.536 -0.682 1.00 0.21 C ATOM 1016 OG SER A 689 10.442 -1.440 0.504 1.00 1.11 O ATOM 0 H SER A 689 12.188 -2.107 -2.861 1.00 0.16 H new ATOM 0 HA SER A 689 10.045 -3.148 -1.478 1.00 0.17 H new ATOM 0 HB2 SER A 689 12.100 -2.133 -0.497 1.00 0.21 H new ATOM 0 HB3 SER A 689 11.544 -0.544 -0.984 1.00 0.21 H new ATOM 0 HG SER A 689 10.976 -1.009 1.204 1.00 1.11 H new ATOM 1022 N GLY A 690 9.405 -0.092 -2.628 1.00 0.16 N ATOM 1023 CA GLY A 690 8.303 0.793 -2.919 1.00 0.18 C ATOM 1024 C GLY A 690 7.465 0.294 -4.073 1.00 0.17 C ATOM 1025 O GLY A 690 6.257 0.510 -4.102 1.00 0.19 O ATOM 0 H GLY A 690 10.330 0.284 -2.839 1.00 0.16 H new ATOM 0 HA2 GLY A 690 7.676 0.895 -2.033 1.00 0.18 H new ATOM 0 HA3 GLY A 690 8.687 1.786 -3.153 1.00 0.18 H new ATOM 1029 N ASP A 691 8.103 -0.384 -5.021 1.00 0.17 N ATOM 1030 CA ASP A 691 7.387 -0.947 -6.164 1.00 0.20 C ATOM 1031 C ASP A 691 6.345 -1.954 -5.683 1.00 0.18 C ATOM 1032 O ASP A 691 5.159 -1.845 -6.006 1.00 0.22 O ATOM 1033 CB ASP A 691 8.364 -1.613 -7.142 1.00 0.26 C ATOM 1034 CG ASP A 691 7.665 -2.212 -8.346 1.00 0.82 C ATOM 1035 OD1 ASP A 691 7.131 -1.442 -9.174 1.00 0.84 O ATOM 1036 OD2 ASP A 691 7.643 -3.458 -8.467 1.00 1.54 O ATOM 0 H ASP A 691 9.108 -0.557 -5.023 1.00 0.17 H new ATOM 0 HA ASP A 691 6.880 -0.138 -6.689 1.00 0.20 H new ATOM 0 HB2 ASP A 691 9.094 -0.877 -7.479 1.00 0.26 H new ATOM 0 HB3 ASP A 691 8.917 -2.395 -6.621 1.00 0.26 H new ATOM 1041 N LEU A 692 6.777 -2.903 -4.864 1.00 0.16 N ATOM 1042 CA LEU A 692 5.871 -3.910 -4.337 1.00 0.16 C ATOM 1043 C LEU A 692 4.864 -3.286 -3.378 1.00 0.15 C ATOM 1044 O LEU A 692 3.707 -3.688 -3.352 1.00 0.16 O ATOM 1045 CB LEU A 692 6.630 -5.036 -3.629 1.00 0.20 C ATOM 1046 CG LEU A 692 7.121 -6.191 -4.507 1.00 0.48 C ATOM 1047 CD1 LEU A 692 5.946 -6.886 -5.173 1.00 1.35 C ATOM 1048 CD2 LEU A 692 8.128 -5.715 -5.540 1.00 0.73 C ATOM 0 H LEU A 692 7.744 -2.995 -4.552 1.00 0.16 H new ATOM 0 HA LEU A 692 5.337 -4.337 -5.186 1.00 0.16 H new ATOM 0 HB2 LEU A 692 7.493 -4.601 -3.125 1.00 0.20 H new ATOM 0 HB3 LEU A 692 5.983 -5.448 -2.855 1.00 0.20 H new ATOM 0 HG LEU A 692 7.629 -6.910 -3.864 1.00 0.48 H new ATOM 0 HD11 LEU A 692 6.311 -7.704 -5.793 1.00 1.35 H new ATOM 0 HD12 LEU A 692 5.276 -7.281 -4.409 1.00 1.35 H new ATOM 0 HD13 LEU A 692 5.406 -6.172 -5.795 1.00 1.35 H new ATOM 0 HD21 LEU A 692 8.455 -6.560 -6.146 1.00 0.73 H new ATOM 0 HD22 LEU A 692 7.664 -4.966 -6.182 1.00 0.73 H new ATOM 0 HD23 LEU A 692 8.988 -5.276 -5.034 1.00 0.73 H new ATOM 1060 N TYR A 693 5.300 -2.295 -2.599 1.00 0.15 N ATOM 1061 CA TYR A 693 4.403 -1.631 -1.656 1.00 0.17 C ATOM 1062 C TYR A 693 3.313 -0.851 -2.387 1.00 0.18 C ATOM 1063 O TYR A 693 2.162 -0.833 -1.954 1.00 0.20 O ATOM 1064 CB TYR A 693 5.163 -0.698 -0.703 1.00 0.21 C ATOM 1065 CG TYR A 693 5.642 -1.375 0.567 1.00 0.48 C ATOM 1066 CD1 TYR A 693 4.737 -1.980 1.433 1.00 0.59 C ATOM 1067 CD2 TYR A 693 6.990 -1.403 0.908 1.00 0.69 C ATOM 1068 CE1 TYR A 693 5.161 -2.592 2.597 1.00 0.86 C ATOM 1069 CE2 TYR A 693 7.421 -2.017 2.070 1.00 0.96 C ATOM 1070 CZ TYR A 693 6.502 -2.608 2.911 1.00 1.05 C ATOM 1071 OH TYR A 693 6.927 -3.215 4.072 1.00 1.33 O ATOM 0 H TYR A 693 6.256 -1.939 -2.602 1.00 0.15 H new ATOM 0 HA TYR A 693 3.936 -2.416 -1.061 1.00 0.17 H new ATOM 0 HB2 TYR A 693 6.023 -0.281 -1.227 1.00 0.21 H new ATOM 0 HB3 TYR A 693 4.516 0.138 -0.436 1.00 0.21 H new ATOM 0 HD1 TYR A 693 3.684 -1.971 1.191 1.00 0.59 H new ATOM 0 HD2 TYR A 693 7.713 -0.937 0.254 1.00 0.69 H new ATOM 0 HE1 TYR A 693 4.444 -3.056 3.258 1.00 0.86 H new ATOM 0 HE2 TYR A 693 8.472 -2.033 2.317 1.00 0.96 H new ATOM 0 HH TYR A 693 7.901 -3.139 4.143 1.00 1.33 H new ATOM 1081 N THR A 694 3.667 -0.218 -3.502 1.00 0.19 N ATOM 1082 CA THR A 694 2.694 0.555 -4.260 1.00 0.22 C ATOM 1083 C THR A 694 1.706 -0.361 -4.974 1.00 0.20 C ATOM 1084 O THR A 694 0.502 -0.090 -4.986 1.00 0.21 O ATOM 1085 CB THR A 694 3.356 1.523 -5.266 1.00 0.26 C ATOM 1086 OG1 THR A 694 4.395 0.859 -5.993 1.00 0.27 O ATOM 1087 CG2 THR A 694 3.929 2.737 -4.549 1.00 0.31 C ATOM 0 H THR A 694 4.608 -0.225 -3.895 1.00 0.19 H new ATOM 0 HA THR A 694 2.152 1.165 -3.537 1.00 0.22 H new ATOM 0 HB THR A 694 2.589 1.856 -5.965 1.00 0.26 H new ATOM 0 HG1 THR A 694 5.241 0.944 -5.505 1.00 0.27 H new ATOM 0 HG21 THR A 694 4.390 3.405 -5.276 1.00 0.31 H new ATOM 0 HG22 THR A 694 3.129 3.264 -4.029 1.00 0.31 H new ATOM 0 HG23 THR A 694 4.679 2.413 -3.827 1.00 0.31 H new ATOM 1095 N GLN A 695 2.199 -1.466 -5.541 1.00 0.19 N ATOM 1096 CA GLN A 695 1.302 -2.452 -6.133 1.00 0.20 C ATOM 1097 C GLN A 695 0.430 -3.080 -5.052 1.00 0.17 C ATOM 1098 O GLN A 695 -0.770 -3.296 -5.253 1.00 0.18 O ATOM 1099 CB GLN A 695 2.068 -3.545 -6.889 1.00 0.25 C ATOM 1100 CG GLN A 695 2.284 -3.235 -8.362 1.00 0.85 C ATOM 1101 CD GLN A 695 3.359 -2.193 -8.601 1.00 1.44 C ATOM 1102 OE1 GLN A 695 3.084 -0.995 -8.625 1.00 2.09 O ATOM 1103 NE2 GLN A 695 4.590 -2.643 -8.788 1.00 2.13 N ATOM 0 H GLN A 695 3.191 -1.694 -5.601 1.00 0.19 H new ATOM 0 HA GLN A 695 0.673 -1.932 -6.855 1.00 0.20 H new ATOM 0 HB2 GLN A 695 3.037 -3.693 -6.412 1.00 0.25 H new ATOM 0 HB3 GLN A 695 1.523 -4.485 -6.801 1.00 0.25 H new ATOM 0 HG2 GLN A 695 2.554 -4.153 -8.884 1.00 0.85 H new ATOM 0 HG3 GLN A 695 1.346 -2.886 -8.795 1.00 0.85 H new ATOM 0 HE21 GLN A 695 4.776 -3.645 -8.760 1.00 2.13 H new ATOM 0 HE22 GLN A 695 5.352 -1.987 -8.960 1.00 2.13 H new ATOM 1112 N ALA A 696 1.033 -3.362 -3.901 1.00 0.16 N ATOM 1113 CA ALA A 696 0.296 -3.882 -2.763 1.00 0.16 C ATOM 1114 C ALA A 696 -0.806 -2.920 -2.353 1.00 0.16 C ATOM 1115 O ALA A 696 -1.941 -3.330 -2.119 1.00 0.16 O ATOM 1116 CB ALA A 696 1.227 -4.147 -1.590 1.00 0.18 C ATOM 0 H ALA A 696 2.032 -3.238 -3.735 1.00 0.16 H new ATOM 0 HA ALA A 696 -0.160 -4.826 -3.061 1.00 0.16 H new ATOM 0 HB1 ALA A 696 0.652 -4.536 -0.750 1.00 0.18 H new ATOM 0 HB2 ALA A 696 1.982 -4.877 -1.882 1.00 0.18 H new ATOM 0 HB3 ALA A 696 1.716 -3.218 -1.296 1.00 0.18 H new ATOM 1122 N ALA A 697 -0.486 -1.633 -2.295 1.00 0.16 N ATOM 1123 CA ALA A 697 -1.460 -0.633 -1.899 1.00 0.17 C ATOM 1124 C ALA A 697 -2.559 -0.513 -2.939 1.00 0.16 C ATOM 1125 O ALA A 697 -3.725 -0.299 -2.603 1.00 0.16 O ATOM 1126 CB ALA A 697 -0.782 0.707 -1.690 1.00 0.20 C ATOM 0 H ALA A 697 0.438 -1.262 -2.517 1.00 0.16 H new ATOM 0 HA ALA A 697 -1.912 -0.947 -0.958 1.00 0.17 H new ATOM 0 HB1 ALA A 697 -1.524 1.448 -1.393 1.00 0.20 H new ATOM 0 HB2 ALA A 697 -0.028 0.615 -0.908 1.00 0.20 H new ATOM 0 HB3 ALA A 697 -0.306 1.022 -2.618 1.00 0.20 H new ATOM 1132 N GLU A 698 -2.182 -0.660 -4.203 1.00 0.17 N ATOM 1133 CA GLU A 698 -3.145 -0.666 -5.289 1.00 0.20 C ATOM 1134 C GLU A 698 -4.146 -1.800 -5.081 1.00 0.18 C ATOM 1135 O GLU A 698 -5.365 -1.590 -5.124 1.00 0.20 O ATOM 1136 CB GLU A 698 -2.416 -0.835 -6.623 1.00 0.26 C ATOM 1137 CG GLU A 698 -3.299 -0.628 -7.839 1.00 1.02 C ATOM 1138 CD GLU A 698 -3.742 0.809 -7.999 1.00 1.22 C ATOM 1139 OE1 GLU A 698 -2.876 1.677 -8.250 1.00 1.84 O ATOM 1140 OE2 GLU A 698 -4.957 1.077 -7.897 1.00 1.40 O ATOM 0 H GLU A 698 -1.213 -0.777 -4.498 1.00 0.17 H new ATOM 0 HA GLU A 698 -3.685 0.281 -5.303 1.00 0.20 H new ATOM 0 HB2 GLU A 698 -1.587 -0.129 -6.664 1.00 0.26 H new ATOM 0 HB3 GLU A 698 -1.985 -1.835 -6.666 1.00 0.26 H new ATOM 0 HG2 GLU A 698 -2.759 -0.939 -8.733 1.00 1.02 H new ATOM 0 HG3 GLU A 698 -4.177 -1.268 -7.759 1.00 1.02 H new ATOM 1147 N ALA A 699 -3.623 -2.996 -4.811 1.00 0.17 N ATOM 1148 CA ALA A 699 -4.455 -4.170 -4.573 1.00 0.18 C ATOM 1149 C ALA A 699 -5.265 -4.018 -3.287 1.00 0.15 C ATOM 1150 O ALA A 699 -6.373 -4.548 -3.170 1.00 0.17 O ATOM 1151 CB ALA A 699 -3.591 -5.422 -4.510 1.00 0.21 C ATOM 0 H ALA A 699 -2.621 -3.175 -4.752 1.00 0.17 H new ATOM 0 HA ALA A 699 -5.155 -4.265 -5.403 1.00 0.18 H new ATOM 0 HB1 ALA A 699 -4.223 -6.292 -4.332 1.00 0.21 H new ATOM 0 HB2 ALA A 699 -3.061 -5.546 -5.454 1.00 0.21 H new ATOM 0 HB3 ALA A 699 -2.870 -5.326 -3.699 1.00 0.21 H new ATOM 1157 N ALA A 700 -4.713 -3.276 -2.336 1.00 0.13 N ATOM 1158 CA ALA A 700 -5.378 -3.044 -1.060 1.00 0.13 C ATOM 1159 C ALA A 700 -6.562 -2.105 -1.239 1.00 0.13 C ATOM 1160 O ALA A 700 -7.675 -2.409 -0.816 1.00 0.16 O ATOM 1161 CB ALA A 700 -4.405 -2.477 -0.040 1.00 0.14 C ATOM 0 H ALA A 700 -3.803 -2.823 -2.424 1.00 0.13 H new ATOM 0 HA ALA A 700 -5.745 -4.001 -0.689 1.00 0.13 H new ATOM 0 HB1 ALA A 700 -4.923 -2.312 0.905 1.00 0.14 H new ATOM 0 HB2 ALA A 700 -3.587 -3.181 0.113 1.00 0.14 H new ATOM 0 HB3 ALA A 700 -4.006 -1.531 -0.405 1.00 0.14 H new ATOM 1167 N MET A 701 -6.319 -0.973 -1.888 1.00 0.15 N ATOM 1168 CA MET A 701 -7.365 0.010 -2.131 1.00 0.20 C ATOM 1169 C MET A 701 -8.429 -0.573 -3.052 1.00 0.23 C ATOM 1170 O MET A 701 -9.610 -0.232 -2.954 1.00 0.28 O ATOM 1171 CB MET A 701 -6.767 1.286 -2.731 1.00 0.27 C ATOM 1172 CG MET A 701 -7.776 2.407 -2.925 1.00 0.44 C ATOM 1173 SD MET A 701 -7.010 3.963 -3.421 1.00 0.74 S ATOM 1174 CE MET A 701 -6.142 3.466 -4.908 1.00 0.76 C ATOM 0 H MET A 701 -5.404 -0.713 -2.256 1.00 0.15 H new ATOM 0 HA MET A 701 -7.835 0.267 -1.182 1.00 0.20 H new ATOM 0 HB2 MET A 701 -5.966 1.640 -2.082 1.00 0.27 H new ATOM 0 HB3 MET A 701 -6.315 1.046 -3.694 1.00 0.27 H new ATOM 0 HG2 MET A 701 -8.502 2.108 -3.681 1.00 0.44 H new ATOM 0 HG3 MET A 701 -8.326 2.559 -1.996 1.00 0.44 H new ATOM 0 HE1 MET A 701 -5.831 4.352 -5.461 1.00 0.76 H new ATOM 0 HE2 MET A 701 -5.264 2.880 -4.638 1.00 0.76 H new ATOM 0 HE3 MET A 701 -6.803 2.863 -5.531 1.00 0.76 H new ATOM 1184 N GLU A 702 -8.003 -1.473 -3.931 1.00 0.24 N ATOM 1185 CA GLU A 702 -8.923 -2.194 -4.800 1.00 0.31 C ATOM 1186 C GLU A 702 -9.865 -3.063 -3.971 1.00 0.29 C ATOM 1187 O GLU A 702 -11.068 -3.116 -4.228 1.00 0.36 O ATOM 1188 CB GLU A 702 -8.135 -3.057 -5.785 1.00 0.42 C ATOM 1189 CG GLU A 702 -8.997 -3.978 -6.628 1.00 1.14 C ATOM 1190 CD GLU A 702 -8.179 -4.784 -7.609 1.00 1.75 C ATOM 1191 OE1 GLU A 702 -8.052 -4.359 -8.777 1.00 1.95 O ATOM 1192 OE2 GLU A 702 -7.663 -5.851 -7.219 1.00 2.58 O ATOM 0 H GLU A 702 -7.022 -1.721 -4.060 1.00 0.24 H new ATOM 0 HA GLU A 702 -9.521 -1.474 -5.358 1.00 0.31 H new ATOM 0 HB2 GLU A 702 -7.564 -2.405 -6.446 1.00 0.42 H new ATOM 0 HB3 GLU A 702 -7.415 -3.658 -5.230 1.00 0.42 H new ATOM 0 HG2 GLU A 702 -9.549 -4.654 -5.976 1.00 1.14 H new ATOM 0 HG3 GLU A 702 -9.734 -3.387 -7.171 1.00 1.14 H new ATOM 1199 N ALA A 703 -9.309 -3.713 -2.955 1.00 0.27 N ATOM 1200 CA ALA A 703 -10.081 -4.593 -2.080 1.00 0.32 C ATOM 1201 C ALA A 703 -10.829 -3.800 -1.008 1.00 0.33 C ATOM 1202 O ALA A 703 -11.316 -4.373 -0.031 1.00 0.45 O ATOM 1203 CB ALA A 703 -9.168 -5.626 -1.435 1.00 0.39 C ATOM 0 H ALA A 703 -8.320 -3.647 -2.714 1.00 0.27 H new ATOM 0 HA ALA A 703 -10.823 -5.107 -2.691 1.00 0.32 H new ATOM 0 HB1 ALA A 703 -9.755 -6.275 -0.786 1.00 0.39 H new ATOM 0 HB2 ALA A 703 -8.690 -6.224 -2.211 1.00 0.39 H new ATOM 0 HB3 ALA A 703 -8.404 -5.119 -0.846 1.00 0.39 H new ATOM 1209 N MET A 704 -10.916 -2.481 -1.205 1.00 0.33 N ATOM 1210 CA MET A 704 -11.606 -1.578 -0.276 1.00 0.44 C ATOM 1211 C MET A 704 -10.886 -1.511 1.064 1.00 0.41 C ATOM 1212 O MET A 704 -11.469 -1.146 2.083 1.00 0.58 O ATOM 1213 CB MET A 704 -13.061 -2.007 -0.063 1.00 0.61 C ATOM 1214 CG MET A 704 -13.919 -1.940 -1.316 1.00 1.01 C ATOM 1215 SD MET A 704 -15.581 -2.582 -1.043 1.00 2.03 S ATOM 1216 CE MET A 704 -16.136 -1.515 0.284 1.00 2.61 C ATOM 0 H MET A 704 -10.510 -2.008 -2.013 1.00 0.33 H new ATOM 0 HA MET A 704 -11.598 -0.585 -0.726 1.00 0.44 H new ATOM 0 HB2 MET A 704 -13.075 -3.028 0.320 1.00 0.61 H new ATOM 0 HB3 MET A 704 -13.507 -1.373 0.704 1.00 0.61 H new ATOM 0 HG2 MET A 704 -13.983 -0.906 -1.655 1.00 1.01 H new ATOM 0 HG3 MET A 704 -13.439 -2.508 -2.113 1.00 1.01 H new ATOM 0 HE1 MET A 704 -17.202 -1.317 0.170 1.00 2.61 H new ATOM 0 HE2 MET A 704 -15.959 -2.004 1.242 1.00 2.61 H new ATOM 0 HE3 MET A 704 -15.586 -0.575 0.249 1.00 2.61 H new ATOM 1226 N LYS A 705 -9.611 -1.853 1.054 1.00 0.30 N ATOM 1227 CA LYS A 705 -8.802 -1.831 2.261 1.00 0.34 C ATOM 1228 C LYS A 705 -7.939 -0.576 2.263 1.00 0.31 C ATOM 1229 O LYS A 705 -6.709 -0.650 2.323 1.00 0.30 O ATOM 1230 CB LYS A 705 -7.929 -3.090 2.337 1.00 0.42 C ATOM 1231 CG LYS A 705 -8.712 -4.390 2.189 1.00 0.65 C ATOM 1232 CD LYS A 705 -9.704 -4.602 3.324 1.00 0.70 C ATOM 1233 CE LYS A 705 -9.001 -4.920 4.631 1.00 1.02 C ATOM 1234 NZ LYS A 705 -9.962 -5.082 5.750 1.00 1.59 N ATOM 0 H LYS A 705 -9.109 -2.152 0.218 1.00 0.30 H new ATOM 0 HA LYS A 705 -9.452 -1.818 3.136 1.00 0.34 H new ATOM 0 HB2 LYS A 705 -7.170 -3.043 1.556 1.00 0.42 H new ATOM 0 HB3 LYS A 705 -7.403 -3.100 3.292 1.00 0.42 H new ATOM 0 HG2 LYS A 705 -9.247 -4.383 1.239 1.00 0.65 H new ATOM 0 HG3 LYS A 705 -8.016 -5.228 2.157 1.00 0.65 H new ATOM 0 HD2 LYS A 705 -10.313 -3.707 3.447 1.00 0.70 H new ATOM 0 HD3 LYS A 705 -10.382 -5.416 3.068 1.00 0.70 H new ATOM 0 HE2 LYS A 705 -8.419 -5.834 4.517 1.00 1.02 H new ATOM 0 HE3 LYS A 705 -8.298 -4.122 4.869 1.00 1.02 H new ATOM 0 HZ1 LYS A 705 -9.633 -5.839 6.383 1.00 1.59 H new ATOM 0 HZ2 LYS A 705 -10.029 -4.191 6.282 1.00 1.59 H new ATOM 0 HZ3 LYS A 705 -10.898 -5.330 5.371 1.00 1.59 H new ATOM 1248 N GLY A 706 -8.606 0.574 2.184 1.00 0.40 N ATOM 1249 CA GLY A 706 -7.923 1.853 2.079 1.00 0.47 C ATOM 1250 C GLY A 706 -6.919 2.099 3.189 1.00 0.42 C ATOM 1251 O GLY A 706 -5.856 2.666 2.947 1.00 0.40 O ATOM 0 H GLY A 706 -9.624 0.641 2.191 1.00 0.40 H new ATOM 0 HA2 GLY A 706 -7.410 1.903 1.119 1.00 0.47 H new ATOM 0 HA3 GLY A 706 -8.664 2.653 2.087 1.00 0.47 H new ATOM 1255 N ARG A 707 -7.248 1.680 4.405 1.00 0.44 N ATOM 1256 CA ARG A 707 -6.330 1.817 5.530 1.00 0.47 C ATOM 1257 C ARG A 707 -5.021 1.080 5.242 1.00 0.38 C ATOM 1258 O ARG A 707 -3.933 1.652 5.377 1.00 0.38 O ATOM 1259 CB ARG A 707 -6.980 1.289 6.816 1.00 0.60 C ATOM 1260 CG ARG A 707 -6.081 1.323 8.052 1.00 0.72 C ATOM 1261 CD ARG A 707 -5.612 2.734 8.398 1.00 1.28 C ATOM 1262 NE ARG A 707 -4.532 3.186 7.521 1.00 2.07 N ATOM 1263 CZ ARG A 707 -3.855 4.319 7.683 1.00 2.91 C ATOM 1264 NH1 ARG A 707 -4.156 5.149 8.667 1.00 3.16 N ATOM 1265 NH2 ARG A 707 -2.870 4.622 6.854 1.00 3.90 N ATOM 0 H ARG A 707 -8.140 1.244 4.637 1.00 0.44 H new ATOM 0 HA ARG A 707 -6.103 2.874 5.670 1.00 0.47 H new ATOM 0 HB2 ARG A 707 -7.876 1.875 7.020 1.00 0.60 H new ATOM 0 HB3 ARG A 707 -7.303 0.262 6.647 1.00 0.60 H new ATOM 0 HG2 ARG A 707 -6.621 0.905 8.901 1.00 0.72 H new ATOM 0 HG3 ARG A 707 -5.212 0.687 7.883 1.00 0.72 H new ATOM 0 HD2 ARG A 707 -6.453 3.424 8.322 1.00 1.28 H new ATOM 0 HD3 ARG A 707 -5.272 2.759 9.433 1.00 1.28 H new ATOM 0 HE ARG A 707 -4.281 2.591 6.731 1.00 2.07 H new ATOM 0 HH11 ARG A 707 -4.914 4.923 9.311 1.00 3.16 H new ATOM 0 HH12 ARG A 707 -3.630 6.015 8.782 1.00 3.16 H new ATOM 0 HH21 ARG A 707 -2.631 3.987 6.092 1.00 3.90 H new ATOM 0 HH22 ARG A 707 -2.349 5.491 6.976 1.00 3.90 H new ATOM 1279 N LEU A 708 -5.134 -0.172 4.817 1.00 0.32 N ATOM 1280 CA LEU A 708 -3.967 -0.974 4.466 1.00 0.30 C ATOM 1281 C LEU A 708 -3.216 -0.308 3.324 1.00 0.23 C ATOM 1282 O LEU A 708 -1.994 -0.160 3.368 1.00 0.22 O ATOM 1283 CB LEU A 708 -4.384 -2.395 4.050 1.00 0.34 C ATOM 1284 CG LEU A 708 -4.729 -3.371 5.187 1.00 0.45 C ATOM 1285 CD1 LEU A 708 -3.514 -3.631 6.061 1.00 0.91 C ATOM 1286 CD2 LEU A 708 -5.892 -2.858 6.024 1.00 1.02 C ATOM 0 H LEU A 708 -6.025 -0.656 4.706 1.00 0.32 H new ATOM 0 HA LEU A 708 -3.321 -1.046 5.341 1.00 0.30 H new ATOM 0 HB2 LEU A 708 -5.250 -2.317 3.393 1.00 0.34 H new ATOM 0 HB3 LEU A 708 -3.575 -2.829 3.462 1.00 0.34 H new ATOM 0 HG LEU A 708 -5.035 -4.313 4.733 1.00 0.45 H new ATOM 0 HD11 LEU A 708 -3.781 -4.324 6.859 1.00 0.91 H new ATOM 0 HD12 LEU A 708 -2.717 -4.064 5.456 1.00 0.91 H new ATOM 0 HD13 LEU A 708 -3.171 -2.692 6.496 1.00 0.91 H new ATOM 0 HD21 LEU A 708 -6.111 -3.571 6.819 1.00 1.02 H new ATOM 0 HD22 LEU A 708 -5.628 -1.896 6.462 1.00 1.02 H new ATOM 0 HD23 LEU A 708 -6.771 -2.739 5.391 1.00 1.02 H new ATOM 1298 N ALA A 709 -3.978 0.109 2.319 1.00 0.20 N ATOM 1299 CA ALA A 709 -3.432 0.785 1.153 1.00 0.18 C ATOM 1300 C ALA A 709 -2.604 1.996 1.553 1.00 0.19 C ATOM 1301 O ALA A 709 -1.434 2.097 1.197 1.00 0.19 O ATOM 1302 CB ALA A 709 -4.552 1.202 0.211 1.00 0.21 C ATOM 0 H ALA A 709 -4.990 -0.013 2.292 1.00 0.20 H new ATOM 0 HA ALA A 709 -2.776 0.084 0.637 1.00 0.18 H new ATOM 0 HB1 ALA A 709 -4.128 1.707 -0.657 1.00 0.21 H new ATOM 0 HB2 ALA A 709 -5.101 0.319 -0.115 1.00 0.21 H new ATOM 0 HB3 ALA A 709 -5.230 1.880 0.730 1.00 0.21 H new ATOM 1308 N ASN A 710 -3.209 2.899 2.310 1.00 0.25 N ATOM 1309 CA ASN A 710 -2.544 4.136 2.683 1.00 0.29 C ATOM 1310 C ASN A 710 -1.326 3.856 3.555 1.00 0.25 C ATOM 1311 O ASN A 710 -0.320 4.551 3.450 1.00 0.24 O ATOM 1312 CB ASN A 710 -3.502 5.090 3.395 1.00 0.38 C ATOM 1313 CG ASN A 710 -2.978 6.519 3.408 1.00 0.81 C ATOM 1314 OD1 ASN A 710 -3.221 7.282 2.476 1.00 1.60 O ATOM 1315 ND2 ASN A 710 -2.268 6.898 4.459 1.00 1.45 N ATOM 0 H ASN A 710 -4.156 2.798 2.676 1.00 0.25 H new ATOM 0 HA ASN A 710 -2.209 4.618 1.765 1.00 0.29 H new ATOM 0 HB2 ASN A 710 -4.473 5.064 2.901 1.00 0.38 H new ATOM 0 HB3 ASN A 710 -3.657 4.751 4.419 1.00 0.38 H new ATOM 0 HD21 ASN A 710 -1.904 7.849 4.512 1.00 1.45 H new ATOM 0 HD22 ASN A 710 -2.085 6.239 5.215 1.00 1.45 H new ATOM 1322 N GLN A 711 -1.410 2.842 4.422 1.00 0.25 N ATOM 1323 CA GLN A 711 -0.240 2.418 5.190 1.00 0.26 C ATOM 1324 C GLN A 711 0.889 1.991 4.254 1.00 0.22 C ATOM 1325 O GLN A 711 2.017 2.465 4.369 1.00 0.22 O ATOM 1326 CB GLN A 711 -0.585 1.268 6.147 1.00 0.32 C ATOM 1327 CG GLN A 711 -1.492 1.674 7.300 1.00 1.24 C ATOM 1328 CD GLN A 711 -1.782 0.537 8.269 1.00 1.30 C ATOM 1329 OE1 GLN A 711 -2.031 0.770 9.452 1.00 1.83 O ATOM 1330 NE2 GLN A 711 -1.752 -0.698 7.784 1.00 1.09 N ATOM 0 H GLN A 711 -2.260 2.309 4.606 1.00 0.25 H new ATOM 0 HA GLN A 711 0.090 3.270 5.784 1.00 0.26 H new ATOM 0 HB2 GLN A 711 -1.068 0.471 5.582 1.00 0.32 H new ATOM 0 HB3 GLN A 711 0.339 0.857 6.553 1.00 0.32 H new ATOM 0 HG2 GLN A 711 -1.029 2.497 7.845 1.00 1.24 H new ATOM 0 HG3 GLN A 711 -2.434 2.048 6.898 1.00 1.24 H new ATOM 0 HE21 GLN A 711 -1.542 -0.854 6.798 1.00 1.09 H new ATOM 0 HE22 GLN A 711 -1.939 -1.491 8.397 1.00 1.09 H new ATOM 1339 N TYR A 712 0.582 1.096 3.327 1.00 0.20 N ATOM 1340 CA TYR A 712 1.579 0.640 2.364 1.00 0.20 C ATOM 1341 C TYR A 712 2.046 1.771 1.443 1.00 0.20 C ATOM 1342 O TYR A 712 3.171 1.738 0.945 1.00 0.21 O ATOM 1343 CB TYR A 712 1.066 -0.565 1.572 1.00 0.22 C ATOM 1344 CG TYR A 712 0.802 -1.764 2.460 1.00 0.24 C ATOM 1345 CD1 TYR A 712 1.683 -2.095 3.485 1.00 0.31 C ATOM 1346 CD2 TYR A 712 -0.327 -2.550 2.290 1.00 0.33 C ATOM 1347 CE1 TYR A 712 1.443 -3.171 4.314 1.00 0.36 C ATOM 1348 CE2 TYR A 712 -0.573 -3.633 3.114 1.00 0.38 C ATOM 1349 CZ TYR A 712 0.316 -3.937 4.126 1.00 0.36 C ATOM 1350 OH TYR A 712 0.075 -5.005 4.960 1.00 0.44 O ATOM 0 H TYR A 712 -0.340 0.673 3.219 1.00 0.20 H new ATOM 0 HA TYR A 712 2.454 0.316 2.927 1.00 0.20 H new ATOM 0 HB2 TYR A 712 0.148 -0.291 1.052 1.00 0.22 H new ATOM 0 HB3 TYR A 712 1.797 -0.834 0.809 1.00 0.22 H new ATOM 0 HD1 TYR A 712 2.571 -1.499 3.634 1.00 0.31 H new ATOM 0 HD2 TYR A 712 -1.026 -2.313 1.501 1.00 0.33 H new ATOM 0 HE1 TYR A 712 2.136 -3.411 5.107 1.00 0.36 H new ATOM 0 HE2 TYR A 712 -1.456 -4.238 2.967 1.00 0.38 H new ATOM 0 HH TYR A 712 -0.254 -5.763 4.434 1.00 0.44 H new ATOM 1360 N TYR A 713 1.209 2.789 1.238 1.00 0.21 N ATOM 1361 CA TYR A 713 1.652 3.996 0.538 1.00 0.25 C ATOM 1362 C TYR A 713 2.630 4.769 1.420 1.00 0.23 C ATOM 1363 O TYR A 713 3.676 5.225 0.958 1.00 0.25 O ATOM 1364 CB TYR A 713 0.472 4.900 0.147 1.00 0.32 C ATOM 1365 CG TYR A 713 -0.225 4.498 -1.138 1.00 0.73 C ATOM 1366 CD1 TYR A 713 -1.562 4.118 -1.142 1.00 1.81 C ATOM 1367 CD2 TYR A 713 0.456 4.505 -2.349 1.00 0.96 C ATOM 1368 CE1 TYR A 713 -2.199 3.757 -2.314 1.00 2.50 C ATOM 1369 CE2 TYR A 713 -0.175 4.145 -3.526 1.00 1.50 C ATOM 1370 CZ TYR A 713 -1.502 3.772 -3.502 1.00 2.20 C ATOM 1371 OH TYR A 713 -2.130 3.410 -4.672 1.00 2.95 O ATOM 0 H TYR A 713 0.235 2.804 1.541 1.00 0.21 H new ATOM 0 HA TYR A 713 2.146 3.686 -0.383 1.00 0.25 H new ATOM 0 HB2 TYR A 713 -0.257 4.897 0.958 1.00 0.32 H new ATOM 0 HB3 TYR A 713 0.832 5.924 0.046 1.00 0.32 H new ATOM 0 HD1 TYR A 713 -2.113 4.105 -0.213 1.00 1.81 H new ATOM 0 HD2 TYR A 713 1.496 4.796 -2.372 1.00 0.96 H new ATOM 0 HE1 TYR A 713 -3.239 3.464 -2.299 1.00 2.50 H new ATOM 0 HE2 TYR A 713 0.369 4.156 -4.459 1.00 1.50 H new ATOM 0 HH TYR A 713 -1.497 3.477 -5.417 1.00 2.95 H new ATOM 1381 N GLN A 714 2.286 4.883 2.702 1.00 0.24 N ATOM 1382 CA GLN A 714 3.156 5.497 3.702 1.00 0.28 C ATOM 1383 C GLN A 714 4.484 4.757 3.764 1.00 0.23 C ATOM 1384 O GLN A 714 5.542 5.349 3.992 1.00 0.26 O ATOM 1385 CB GLN A 714 2.473 5.452 5.076 1.00 0.36 C ATOM 1386 CG GLN A 714 3.367 5.880 6.230 1.00 0.65 C ATOM 1387 CD GLN A 714 2.722 5.657 7.587 1.00 1.26 C ATOM 1388 OE1 GLN A 714 1.402 5.753 7.648 1.00 1.94 O flip ATOM 1389 NE2 GLN A 714 3.407 5.403 8.577 1.00 1.98 N flip ATOM 0 H GLN A 714 1.396 4.552 3.076 1.00 0.24 H new ATOM 0 HA GLN A 714 3.342 6.534 3.424 1.00 0.28 H new ATOM 0 HB2 GLN A 714 1.594 6.096 5.054 1.00 0.36 H new ATOM 0 HB3 GLN A 714 2.120 4.437 5.261 1.00 0.36 H new ATOM 0 HG2 GLN A 714 4.304 5.326 6.183 1.00 0.65 H new ATOM 0 HG3 GLN A 714 3.615 6.936 6.120 1.00 0.65 H new ATOM 0 HE21 GLN A 714 4.421 5.337 8.492 1.00 1.98 H new ATOM 0 HE22 GLN A 714 2.961 5.259 9.483 1.00 1.98 H new ATOM 1398 N LYS A 715 4.419 3.466 3.492 1.00 0.21 N ATOM 1399 CA LYS A 715 5.578 2.609 3.602 1.00 0.22 C ATOM 1400 C LYS A 715 6.402 2.726 2.330 1.00 0.20 C ATOM 1401 O LYS A 715 7.628 2.702 2.371 1.00 0.23 O ATOM 1402 CB LYS A 715 5.146 1.157 3.838 1.00 0.27 C ATOM 1403 CG LYS A 715 5.864 0.471 4.994 1.00 0.61 C ATOM 1404 CD LYS A 715 7.350 0.277 4.732 1.00 0.86 C ATOM 1405 CE LYS A 715 8.037 -0.377 5.923 1.00 1.16 C ATOM 1406 NZ LYS A 715 7.374 -1.648 6.322 1.00 1.67 N ATOM 0 H LYS A 715 3.569 2.989 3.192 1.00 0.21 H new ATOM 0 HA LYS A 715 6.185 2.920 4.453 1.00 0.22 H new ATOM 0 HB2 LYS A 715 4.073 1.135 4.028 1.00 0.27 H new ATOM 0 HB3 LYS A 715 5.320 0.585 2.926 1.00 0.27 H new ATOM 0 HG2 LYS A 715 5.734 1.063 5.900 1.00 0.61 H new ATOM 0 HG3 LYS A 715 5.402 -0.499 5.178 1.00 0.61 H new ATOM 0 HD2 LYS A 715 7.488 -0.341 3.845 1.00 0.86 H new ATOM 0 HD3 LYS A 715 7.815 1.241 4.525 1.00 0.86 H new ATOM 0 HE2 LYS A 715 9.080 -0.575 5.676 1.00 1.16 H new ATOM 0 HE3 LYS A 715 8.034 0.313 6.767 1.00 1.16 H new ATOM 0 HZ1 LYS A 715 8.068 -2.272 6.780 1.00 1.67 H new ATOM 0 HZ2 LYS A 715 6.601 -1.443 6.987 1.00 1.67 H new ATOM 0 HZ3 LYS A 715 6.989 -2.119 5.478 1.00 1.67 H new ATOM 1420 N ALA A 716 5.711 2.873 1.204 1.00 0.17 N ATOM 1421 CA ALA A 716 6.363 3.091 -0.077 1.00 0.18 C ATOM 1422 C ALA A 716 7.092 4.424 -0.082 1.00 0.21 C ATOM 1423 O ALA A 716 8.246 4.517 -0.516 1.00 0.25 O ATOM 1424 CB ALA A 716 5.343 3.046 -1.205 1.00 0.21 C ATOM 0 H ALA A 716 4.693 2.844 1.156 1.00 0.17 H new ATOM 0 HA ALA A 716 7.092 2.295 -0.233 1.00 0.18 H new ATOM 0 HB1 ALA A 716 5.846 3.211 -2.158 1.00 0.21 H new ATOM 0 HB2 ALA A 716 4.856 2.071 -1.216 1.00 0.21 H new ATOM 0 HB3 ALA A 716 4.595 3.824 -1.051 1.00 0.21 H new ATOM 1430 N GLU A 717 6.427 5.456 0.432 1.00 0.24 N ATOM 1431 CA GLU A 717 7.017 6.778 0.467 1.00 0.32 C ATOM 1432 C GLU A 717 8.182 6.797 1.435 1.00 0.31 C ATOM 1433 O GLU A 717 9.233 7.357 1.132 1.00 0.33 O ATOM 1434 CB GLU A 717 5.994 7.841 0.865 1.00 0.45 C ATOM 1435 CG GLU A 717 4.847 7.998 -0.117 1.00 1.26 C ATOM 1436 CD GLU A 717 4.268 9.395 -0.091 1.00 1.60 C ATOM 1437 OE1 GLU A 717 4.514 10.150 -1.052 1.00 2.16 O ATOM 1438 OE2 GLU A 717 3.603 9.759 0.902 1.00 2.04 O ATOM 0 H GLU A 717 5.488 5.397 0.825 1.00 0.24 H new ATOM 0 HA GLU A 717 7.370 7.013 -0.537 1.00 0.32 H new ATOM 0 HB2 GLU A 717 5.587 7.589 1.844 1.00 0.45 H new ATOM 0 HB3 GLU A 717 6.503 8.799 0.968 1.00 0.45 H new ATOM 0 HG2 GLU A 717 5.197 7.769 -1.124 1.00 1.26 H new ATOM 0 HG3 GLU A 717 4.065 7.277 0.120 1.00 1.26 H new ATOM 1445 N GLU A 718 7.996 6.172 2.595 1.00 0.31 N ATOM 1446 CA GLU A 718 9.059 6.077 3.583 1.00 0.36 C ATOM 1447 C GLU A 718 10.232 5.273 3.028 1.00 0.33 C ATOM 1448 O GLU A 718 11.388 5.612 3.264 1.00 0.36 O ATOM 1449 CB GLU A 718 8.531 5.445 4.874 1.00 0.43 C ATOM 1450 CG GLU A 718 9.550 5.395 6.000 1.00 1.06 C ATOM 1451 CD GLU A 718 8.954 4.890 7.298 1.00 1.46 C ATOM 1452 OE1 GLU A 718 8.682 5.715 8.195 1.00 1.75 O ATOM 1453 OE2 GLU A 718 8.755 3.665 7.430 1.00 2.20 O ATOM 0 H GLU A 718 7.121 5.726 2.870 1.00 0.31 H new ATOM 0 HA GLU A 718 9.412 7.082 3.813 1.00 0.36 H new ATOM 0 HB2 GLU A 718 7.660 6.006 5.211 1.00 0.43 H new ATOM 0 HB3 GLU A 718 8.193 4.431 4.658 1.00 0.43 H new ATOM 0 HG2 GLU A 718 10.378 4.749 5.708 1.00 1.06 H new ATOM 0 HG3 GLU A 718 9.963 6.391 6.157 1.00 1.06 H new ATOM 1460 N ALA A 719 9.930 4.221 2.275 1.00 0.28 N ATOM 1461 CA ALA A 719 10.966 3.416 1.637 1.00 0.29 C ATOM 1462 C ALA A 719 11.834 4.267 0.720 1.00 0.30 C ATOM 1463 O ALA A 719 13.060 4.285 0.852 1.00 0.37 O ATOM 1464 CB ALA A 719 10.350 2.262 0.857 1.00 0.28 C ATOM 0 H ALA A 719 8.977 3.906 2.091 1.00 0.28 H new ATOM 0 HA ALA A 719 11.599 3.006 2.424 1.00 0.29 H new ATOM 0 HB1 ALA A 719 11.141 1.675 0.390 1.00 0.28 H new ATOM 0 HB2 ALA A 719 9.780 1.627 1.536 1.00 0.28 H new ATOM 0 HB3 ALA A 719 9.687 2.656 0.087 1.00 0.28 H new ATOM 1470 N TRP A 720 11.198 4.986 -0.197 1.00 0.26 N ATOM 1471 CA TRP A 720 11.933 5.813 -1.153 1.00 0.28 C ATOM 1472 C TRP A 720 12.545 7.053 -0.495 1.00 0.33 C ATOM 1473 O TRP A 720 13.584 7.540 -0.934 1.00 0.36 O ATOM 1474 CB TRP A 720 11.033 6.232 -2.321 1.00 0.29 C ATOM 1475 CG TRP A 720 10.669 5.103 -3.250 1.00 0.28 C ATOM 1476 CD1 TRP A 720 11.425 3.999 -3.539 1.00 0.31 C ATOM 1477 CD2 TRP A 720 9.473 4.983 -4.041 1.00 0.32 C ATOM 1478 NE1 TRP A 720 10.770 3.200 -4.444 1.00 0.34 N ATOM 1479 CE2 TRP A 720 9.574 3.781 -4.769 1.00 0.33 C ATOM 1480 CE3 TRP A 720 8.324 5.770 -4.202 1.00 0.40 C ATOM 1481 CZ2 TRP A 720 8.578 3.350 -5.642 1.00 0.40 C ATOM 1482 CZ3 TRP A 720 7.338 5.338 -5.069 1.00 0.47 C ATOM 1483 CH2 TRP A 720 7.470 4.138 -5.780 1.00 0.45 C ATOM 0 H TRP A 720 10.184 5.015 -0.301 1.00 0.26 H new ATOM 0 HA TRP A 720 12.750 5.200 -1.534 1.00 0.28 H new ATOM 0 HB2 TRP A 720 10.118 6.670 -1.922 1.00 0.29 H new ATOM 0 HB3 TRP A 720 11.537 7.011 -2.893 1.00 0.29 H new ATOM 0 HD1 TRP A 720 12.396 3.787 -3.116 1.00 0.31 H new ATOM 0 HE1 TRP A 720 11.119 2.316 -4.814 1.00 0.34 H new ATOM 0 HE3 TRP A 720 8.211 6.697 -3.659 1.00 0.40 H new ATOM 0 HZ2 TRP A 720 8.678 2.425 -6.191 1.00 0.40 H new ATOM 0 HZ3 TRP A 720 6.449 5.937 -5.201 1.00 0.47 H new ATOM 0 HH2 TRP A 720 6.681 3.830 -6.450 1.00 0.45 H new ATOM 1494 N ALA A 721 11.900 7.572 0.542 1.00 0.39 N ATOM 1495 CA ALA A 721 12.398 8.765 1.224 1.00 0.49 C ATOM 1496 C ALA A 721 13.581 8.450 2.134 1.00 0.57 C ATOM 1497 O ALA A 721 14.581 9.171 2.136 1.00 0.64 O ATOM 1498 CB ALA A 721 11.288 9.430 2.024 1.00 0.58 C ATOM 0 H ALA A 721 11.037 7.191 0.929 1.00 0.39 H new ATOM 0 HA ALA A 721 12.745 9.453 0.453 1.00 0.49 H new ATOM 0 HB1 ALA A 721 11.680 10.316 2.524 1.00 0.58 H new ATOM 0 HB2 ALA A 721 10.479 9.720 1.353 1.00 0.58 H new ATOM 0 HB3 ALA A 721 10.908 8.731 2.769 1.00 0.58 H new ATOM 1504 N GLN A 722 13.473 7.366 2.890 1.00 0.64 N ATOM 1505 CA GLN A 722 14.461 7.054 3.915 1.00 0.84 C ATOM 1506 C GLN A 722 15.704 6.431 3.295 1.00 0.87 C ATOM 1507 O GLN A 722 16.797 6.990 3.405 1.00 1.25 O ATOM 1508 CB GLN A 722 13.846 6.103 4.947 1.00 1.18 C ATOM 1509 CG GLN A 722 14.713 5.852 6.171 1.00 1.44 C ATOM 1510 CD GLN A 722 14.033 4.949 7.190 1.00 1.91 C ATOM 1511 OE1 GLN A 722 13.206 4.025 6.717 1.00 2.38 O flip ATOM 1512 NE2 GLN A 722 14.252 5.078 8.394 1.00 2.33 N flip ATOM 0 H GLN A 722 12.714 6.689 2.814 1.00 0.64 H new ATOM 0 HA GLN A 722 14.759 7.978 4.410 1.00 0.84 H new ATOM 0 HB2 GLN A 722 12.889 6.511 5.273 1.00 1.18 H new ATOM 0 HB3 GLN A 722 13.638 5.149 4.464 1.00 1.18 H new ATOM 0 HG2 GLN A 722 15.654 5.399 5.859 1.00 1.44 H new ATOM 0 HG3 GLN A 722 14.958 6.805 6.641 1.00 1.44 H new ATOM 0 HE21 GLN A 722 14.894 5.800 8.721 1.00 2.33 H new ATOM 0 HE22 GLN A 722 13.791 4.463 9.065 1.00 2.33 H new ATOM 1521 N MET A 723 15.522 5.303 2.605 1.00 0.99 N ATOM 1522 CA MET A 723 16.635 4.577 1.981 1.00 1.31 C ATOM 1523 C MET A 723 17.814 4.452 2.944 1.00 1.98 C ATOM 1524 O MET A 723 18.969 4.668 2.571 1.00 2.42 O ATOM 1525 CB MET A 723 17.081 5.281 0.695 1.00 1.25 C ATOM 1526 CG MET A 723 16.010 5.324 -0.383 1.00 0.96 C ATOM 1527 SD MET A 723 16.515 6.271 -1.833 1.00 1.60 S ATOM 1528 CE MET A 723 16.674 7.910 -1.125 1.00 2.19 C ATOM 0 H MET A 723 14.610 4.869 2.463 1.00 0.99 H new ATOM 0 HA MET A 723 16.285 3.575 1.732 1.00 1.31 H new ATOM 0 HB2 MET A 723 17.383 6.300 0.936 1.00 1.25 H new ATOM 0 HB3 MET A 723 17.961 4.773 0.300 1.00 1.25 H new ATOM 0 HG2 MET A 723 15.766 4.306 -0.687 1.00 0.96 H new ATOM 0 HG3 MET A 723 15.101 5.760 0.032 1.00 0.96 H new ATOM 0 HE1 MET A 723 16.220 8.641 -1.794 1.00 2.19 H new ATOM 0 HE2 MET A 723 16.170 7.940 -0.159 1.00 2.19 H new ATOM 0 HE3 MET A 723 17.729 8.148 -0.991 1.00 2.19 H new ATOM 1538 N GLU A 724 17.506 4.110 4.186 1.00 2.33 N ATOM 1539 CA GLU A 724 18.503 4.049 5.241 1.00 3.03 C ATOM 1540 C GLU A 724 18.061 3.074 6.318 1.00 3.35 C ATOM 1541 O GLU A 724 17.008 3.252 6.934 1.00 3.82 O ATOM 1542 CB GLU A 724 18.724 5.437 5.848 1.00 3.31 C ATOM 1543 CG GLU A 724 19.732 5.454 6.987 1.00 3.60 C ATOM 1544 CD GLU A 724 21.100 4.963 6.563 1.00 4.24 C ATOM 1545 OE1 GLU A 724 21.385 3.762 6.726 1.00 4.88 O ATOM 1546 OE2 GLU A 724 21.899 5.778 6.058 1.00 4.47 O ATOM 0 H GLU A 724 16.562 3.868 4.489 1.00 2.33 H new ATOM 0 HA GLU A 724 19.444 3.703 4.812 1.00 3.03 H new ATOM 0 HB2 GLU A 724 19.062 6.116 5.065 1.00 3.31 H new ATOM 0 HB3 GLU A 724 17.771 5.820 6.213 1.00 3.31 H new ATOM 0 HG2 GLU A 724 19.819 6.469 7.375 1.00 3.60 H new ATOM 0 HG3 GLU A 724 19.364 4.831 7.802 1.00 3.60 H new ATOM 1553 N GLU A 725 18.866 2.052 6.544 1.00 3.48 N ATOM 1554 CA GLU A 725 18.536 1.021 7.506 1.00 4.01 C ATOM 1555 C GLU A 725 19.779 0.209 7.840 1.00 4.63 C ATOM 1556 O GLU A 725 20.295 0.342 8.965 1.00 5.05 O ATOM 1557 CB GLU A 725 17.447 0.116 6.939 1.00 4.09 C ATOM 1558 CG GLU A 725 16.953 -0.944 7.906 1.00 4.80 C ATOM 1559 CD GLU A 725 15.995 -1.908 7.246 1.00 5.11 C ATOM 1560 OE1 GLU A 725 14.774 -1.648 7.280 1.00 5.31 O ATOM 1561 OE2 GLU A 725 16.451 -2.940 6.713 1.00 5.52 O ATOM 1562 OXT GLU A 725 20.256 -0.534 6.961 1.00 5.02 O ATOM 0 H GLU A 725 19.759 1.915 6.070 1.00 3.48 H new ATOM 0 HA GLU A 725 18.166 1.486 8.420 1.00 4.01 H new ATOM 0 HB2 GLU A 725 16.602 0.732 6.630 1.00 4.09 H new ATOM 0 HB3 GLU A 725 17.828 -0.375 6.043 1.00 4.09 H new ATOM 0 HG2 GLU A 725 17.804 -1.495 8.306 1.00 4.80 H new ATOM 0 HG3 GLU A 725 16.459 -0.463 8.750 1.00 4.80 H new TER 1569 GLU A 725