USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 667 GLN : amide:sc= 0.189 K(o=0.46,f=-0.35) USER MOD Set 1.2: A 670 LYS NZ :NH3+ 167:sc= 0.274 (180deg=0) USER MOD Set 2.1: A 622 MET CE :methyl -170:sc= -3.69! (180deg=-3.41!) USER MOD Set 2.2: A 663 GLN : amide:sc= -3.82 K(o=-7.5,f=-5.2) USER MOD Set 3.1: A 635 SER OG : rot 52:sc= 1.48 USER MOD Set 3.2: A 638 SER OG : rot 84:sc= 1.28 USER MOD Single : A 615 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 617 SER OG : rot 180:sc= -0.116 USER MOD Single : A 623 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0549) USER MOD Single : A 624 GLN : amide:sc= -4.92! K(o=-4.9!,f=-1.5) USER MOD Single : A 626 LYS NZ :NH3+ -143:sc= -2.1! (180deg=-3.88!) USER MOD Single : A 628 MET CE :methyl -168:sc= -0.742 (180deg=-1.23) USER MOD Single : A 639 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 642 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 645 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-4.3!) USER MOD Single : A 646 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 653 TYR OH : rot 110:sc= -3.02! USER MOD Single : A 657 ASN : amide:sc= -4.38! K(o=-4.4!,f=-0.47) USER MOD Single : A 659 LYS NZ :NH3+ -165:sc= -0.0255 (180deg=-0.275) USER MOD Single : A 662 LYS NZ :NH3+ 159:sc= -0.189 (180deg=-0.361) USER MOD Single : A 668 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 671 THR OG1 : rot 180:sc= 0 USER MOD Single : A 680 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 681 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 682 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 683 LYS NZ :NH3+ 166:sc= -0.0634 (180deg=-0.329) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 613 -7.504 14.649 9.603 1.00 7.65 N ATOM 2 CA GLY A 613 -7.233 14.227 8.201 1.00 7.14 C ATOM 3 C GLY A 613 -7.962 12.951 7.827 1.00 6.25 C ATOM 4 O GLY A 613 -7.407 12.091 7.141 1.00 6.35 O ATOM 0 HA2 GLY A 613 -7.531 15.025 7.521 1.00 7.14 H new ATOM 0 HA3 GLY A 613 -6.161 14.081 8.070 1.00 7.14 H new ATOM 10 N ALA A 614 -9.207 12.828 8.275 1.00 5.65 N ATOM 11 CA ALA A 614 -10.011 11.648 7.982 1.00 5.04 C ATOM 12 C ALA A 614 -11.473 12.021 7.759 1.00 3.85 C ATOM 13 O ALA A 614 -12.323 11.800 8.622 1.00 3.77 O ATOM 14 CB ALA A 614 -9.885 10.633 9.108 1.00 5.87 C ATOM 0 H ALA A 614 -9.681 13.531 8.842 1.00 5.65 H new ATOM 0 HA ALA A 614 -9.636 11.200 7.062 1.00 5.04 H new ATOM 0 HB1 ALA A 614 -10.490 9.756 8.877 1.00 5.87 H new ATOM 0 HB2 ALA A 614 -8.842 10.336 9.215 1.00 5.87 H new ATOM 0 HB3 ALA A 614 -10.233 11.079 10.040 1.00 5.87 H new ATOM 20 N MET A 615 -11.757 12.592 6.591 1.00 3.30 N ATOM 21 CA MET A 615 -13.115 12.998 6.246 1.00 2.48 C ATOM 22 C MET A 615 -13.439 12.632 4.802 1.00 1.76 C ATOM 23 O MET A 615 -12.564 12.649 3.936 1.00 2.31 O ATOM 24 CB MET A 615 -13.289 14.506 6.454 1.00 3.11 C ATOM 25 CG MET A 615 -13.105 14.948 7.897 1.00 3.96 C ATOM 26 SD MET A 615 -13.300 16.727 8.109 1.00 4.68 S ATOM 27 CE MET A 615 -13.050 16.887 9.875 1.00 5.19 C ATOM 0 H MET A 615 -11.064 12.784 5.868 1.00 3.30 H new ATOM 0 HA MET A 615 -13.805 12.467 6.902 1.00 2.48 H new ATOM 0 HB2 MET A 615 -12.572 15.036 5.827 1.00 3.11 H new ATOM 0 HB3 MET A 615 -14.284 14.798 6.118 1.00 3.11 H new ATOM 0 HG2 MET A 615 -13.828 14.430 8.527 1.00 3.96 H new ATOM 0 HG3 MET A 615 -12.114 14.652 8.240 1.00 3.96 H new ATOM 0 HE1 MET A 615 -13.140 17.935 10.162 1.00 5.19 H new ATOM 0 HE2 MET A 615 -13.801 16.300 10.403 1.00 5.19 H new ATOM 0 HE3 MET A 615 -12.056 16.524 10.136 1.00 5.19 H new ATOM 37 N GLY A 616 -14.701 12.301 4.550 1.00 1.25 N ATOM 38 CA GLY A 616 -15.120 11.933 3.211 1.00 1.04 C ATOM 39 C GLY A 616 -15.635 10.509 3.137 1.00 0.93 C ATOM 40 O GLY A 616 -15.944 9.900 4.161 1.00 1.81 O ATOM 0 H GLY A 616 -15.442 12.281 5.251 1.00 1.25 H new ATOM 0 HA2 GLY A 616 -15.901 12.616 2.877 1.00 1.04 H new ATOM 0 HA3 GLY A 616 -14.280 12.049 2.526 1.00 1.04 H new ATOM 44 N SER A 617 -15.731 9.980 1.921 1.00 0.86 N ATOM 45 CA SER A 617 -16.212 8.619 1.714 1.00 0.73 C ATOM 46 C SER A 617 -15.185 7.787 0.952 1.00 0.57 C ATOM 47 O SER A 617 -14.641 6.819 1.484 1.00 0.63 O ATOM 48 CB SER A 617 -17.539 8.634 0.956 1.00 0.87 C ATOM 49 OG SER A 617 -17.415 9.321 -0.277 1.00 1.42 O ATOM 0 H SER A 617 -15.482 10.474 1.064 1.00 0.86 H new ATOM 0 HA SER A 617 -16.366 8.163 2.692 1.00 0.73 H new ATOM 0 HB2 SER A 617 -17.869 7.611 0.774 1.00 0.87 H new ATOM 0 HB3 SER A 617 -18.305 9.112 1.567 1.00 0.87 H new ATOM 0 HG SER A 617 -18.277 9.315 -0.743 1.00 1.42 H new ATOM 55 N LEU A 618 -14.926 8.169 -0.294 1.00 0.47 N ATOM 56 CA LEU A 618 -13.964 7.456 -1.124 1.00 0.34 C ATOM 57 C LEU A 618 -12.537 7.741 -0.669 1.00 0.28 C ATOM 58 O LEU A 618 -11.737 6.821 -0.496 1.00 0.27 O ATOM 59 CB LEU A 618 -14.125 7.847 -2.593 1.00 0.37 C ATOM 60 CG LEU A 618 -13.174 7.135 -3.554 1.00 0.40 C ATOM 61 CD1 LEU A 618 -13.568 5.675 -3.714 1.00 0.47 C ATOM 62 CD2 LEU A 618 -13.157 7.836 -4.902 1.00 0.53 C ATOM 0 H LEU A 618 -15.368 8.967 -0.750 1.00 0.47 H new ATOM 0 HA LEU A 618 -14.159 6.389 -1.018 1.00 0.34 H new ATOM 0 HB2 LEU A 618 -15.150 7.640 -2.899 1.00 0.37 H new ATOM 0 HB3 LEU A 618 -13.975 8.923 -2.687 1.00 0.37 H new ATOM 0 HG LEU A 618 -12.169 7.173 -3.134 1.00 0.40 H new ATOM 0 HD11 LEU A 618 -12.879 5.185 -4.402 1.00 0.47 H new ATOM 0 HD12 LEU A 618 -13.527 5.179 -2.744 1.00 0.47 H new ATOM 0 HD13 LEU A 618 -14.582 5.613 -4.110 1.00 0.47 H new ATOM 0 HD21 LEU A 618 -12.475 7.316 -5.574 1.00 0.53 H new ATOM 0 HD22 LEU A 618 -14.160 7.830 -5.328 1.00 0.53 H new ATOM 0 HD23 LEU A 618 -12.824 8.866 -4.772 1.00 0.53 H new ATOM 74 N GLU A 619 -12.224 9.021 -0.483 1.00 0.30 N ATOM 75 CA GLU A 619 -10.894 9.427 -0.046 1.00 0.29 C ATOM 76 C GLU A 619 -10.510 8.694 1.233 1.00 0.25 C ATOM 77 O GLU A 619 -9.405 8.161 1.349 1.00 0.24 O ATOM 78 CB GLU A 619 -10.847 10.942 0.175 1.00 0.37 C ATOM 79 CG GLU A 619 -9.438 11.512 0.262 1.00 1.10 C ATOM 80 CD GLU A 619 -8.726 11.127 1.544 1.00 1.93 C ATOM 81 OE1 GLU A 619 -9.091 11.664 2.611 1.00 2.55 O ATOM 82 OE2 GLU A 619 -7.806 10.285 1.482 1.00 2.45 O ATOM 0 H GLU A 619 -12.874 9.793 -0.628 1.00 0.30 H new ATOM 0 HA GLU A 619 -10.177 9.166 -0.825 1.00 0.29 H new ATOM 0 HB2 GLU A 619 -11.377 11.434 -0.640 1.00 0.37 H new ATOM 0 HB3 GLU A 619 -11.382 11.182 1.094 1.00 0.37 H new ATOM 0 HG2 GLU A 619 -8.856 11.162 -0.591 1.00 1.10 H new ATOM 0 HG3 GLU A 619 -9.486 12.599 0.191 1.00 1.10 H new ATOM 89 N ALA A 620 -11.432 8.664 2.192 1.00 0.26 N ATOM 90 CA ALA A 620 -11.190 7.985 3.453 1.00 0.26 C ATOM 91 C ALA A 620 -10.855 6.526 3.202 1.00 0.22 C ATOM 92 O ALA A 620 -9.953 5.975 3.823 1.00 0.25 O ATOM 93 CB ALA A 620 -12.397 8.102 4.370 1.00 0.30 C ATOM 0 H ALA A 620 -12.350 9.102 2.116 1.00 0.26 H new ATOM 0 HA ALA A 620 -10.343 8.462 3.946 1.00 0.26 H new ATOM 0 HB1 ALA A 620 -12.193 7.586 5.308 1.00 0.30 H new ATOM 0 HB2 ALA A 620 -12.601 9.154 4.571 1.00 0.30 H new ATOM 0 HB3 ALA A 620 -13.265 7.650 3.889 1.00 0.30 H new ATOM 99 N ARG A 621 -11.571 5.911 2.268 1.00 0.21 N ATOM 100 CA ARG A 621 -11.342 4.515 1.936 1.00 0.21 C ATOM 101 C ARG A 621 -9.928 4.338 1.393 1.00 0.19 C ATOM 102 O ARG A 621 -9.261 3.343 1.679 1.00 0.20 O ATOM 103 CB ARG A 621 -12.384 4.037 0.922 1.00 0.24 C ATOM 104 CG ARG A 621 -12.099 2.660 0.348 1.00 0.31 C ATOM 105 CD ARG A 621 -13.309 2.094 -0.381 1.00 0.25 C ATOM 106 NE ARG A 621 -14.079 3.133 -1.059 1.00 0.33 N ATOM 107 CZ ARG A 621 -15.350 2.987 -1.429 1.00 0.39 C ATOM 108 NH1 ARG A 621 -15.984 1.843 -1.201 1.00 0.52 N ATOM 109 NH2 ARG A 621 -15.986 3.983 -2.028 1.00 0.58 N ATOM 0 H ARG A 621 -12.313 6.358 1.730 1.00 0.21 H new ATOM 0 HA ARG A 621 -11.443 3.909 2.836 1.00 0.21 H new ATOM 0 HB2 ARG A 621 -13.363 4.025 1.401 1.00 0.24 H new ATOM 0 HB3 ARG A 621 -12.438 4.756 0.105 1.00 0.24 H new ATOM 0 HG2 ARG A 621 -11.255 2.719 -0.339 1.00 0.31 H new ATOM 0 HG3 ARG A 621 -11.809 1.983 1.152 1.00 0.31 H new ATOM 0 HD2 ARG A 621 -12.979 1.354 -1.110 1.00 0.25 H new ATOM 0 HD3 ARG A 621 -13.950 1.575 0.331 1.00 0.25 H new ATOM 0 HE ARG A 621 -13.618 4.020 -1.260 1.00 0.33 H new ATOM 0 HH11 ARG A 621 -15.498 1.073 -0.741 1.00 0.52 H new ATOM 0 HH12 ARG A 621 -16.957 1.734 -1.485 1.00 0.52 H new ATOM 0 HH21 ARG A 621 -15.502 4.863 -2.206 1.00 0.58 H new ATOM 0 HH22 ARG A 621 -16.959 3.870 -2.311 1.00 0.58 H new ATOM 123 N MET A 622 -9.476 5.319 0.618 1.00 0.19 N ATOM 124 CA MET A 622 -8.131 5.289 0.059 1.00 0.21 C ATOM 125 C MET A 622 -7.120 5.663 1.131 1.00 0.21 C ATOM 126 O MET A 622 -5.911 5.519 0.946 1.00 0.26 O ATOM 127 CB MET A 622 -8.006 6.255 -1.118 1.00 0.25 C ATOM 128 CG MET A 622 -8.748 5.810 -2.364 1.00 0.69 C ATOM 129 SD MET A 622 -8.359 6.835 -3.796 1.00 0.67 S ATOM 130 CE MET A 622 -6.583 6.614 -3.898 1.00 0.55 C ATOM 0 H MET A 622 -10.021 6.143 0.364 1.00 0.19 H new ATOM 0 HA MET A 622 -7.933 4.279 -0.299 1.00 0.21 H new ATOM 0 HB2 MET A 622 -8.381 7.232 -0.814 1.00 0.25 H new ATOM 0 HB3 MET A 622 -6.951 6.380 -1.361 1.00 0.25 H new ATOM 0 HG2 MET A 622 -8.495 4.773 -2.583 1.00 0.69 H new ATOM 0 HG3 MET A 622 -9.821 5.844 -2.177 1.00 0.69 H new ATOM 0 HE1 MET A 622 -6.169 7.320 -4.619 1.00 0.55 H new ATOM 0 HE2 MET A 622 -6.137 6.792 -2.919 1.00 0.55 H new ATOM 0 HE3 MET A 622 -6.361 5.596 -4.218 1.00 0.55 H new ATOM 140 N LYS A 623 -7.636 6.144 2.254 1.00 0.22 N ATOM 141 CA LYS A 623 -6.802 6.551 3.373 1.00 0.27 C ATOM 142 C LYS A 623 -6.558 5.357 4.276 1.00 0.28 C ATOM 143 O LYS A 623 -5.427 5.088 4.679 1.00 0.34 O ATOM 144 CB LYS A 623 -7.465 7.690 4.154 1.00 0.32 C ATOM 145 CG LYS A 623 -6.520 8.414 5.101 1.00 0.76 C ATOM 146 CD LYS A 623 -6.372 7.676 6.424 1.00 1.16 C ATOM 147 CE LYS A 623 -4.951 7.766 6.953 1.00 1.97 C ATOM 148 NZ LYS A 623 -4.514 9.176 7.142 1.00 2.65 N ATOM 0 H LYS A 623 -8.637 6.262 2.413 1.00 0.22 H new ATOM 0 HA LYS A 623 -5.847 6.916 2.994 1.00 0.27 H new ATOM 0 HB2 LYS A 623 -7.879 8.410 3.448 1.00 0.32 H new ATOM 0 HB3 LYS A 623 -8.301 7.288 4.726 1.00 0.32 H new ATOM 0 HG2 LYS A 623 -5.542 8.517 4.631 1.00 0.76 H new ATOM 0 HG3 LYS A 623 -6.892 9.422 5.286 1.00 0.76 H new ATOM 0 HD2 LYS A 623 -7.062 8.096 7.156 1.00 1.16 H new ATOM 0 HD3 LYS A 623 -6.647 6.630 6.291 1.00 1.16 H new ATOM 0 HE2 LYS A 623 -4.884 7.235 7.903 1.00 1.97 H new ATOM 0 HE3 LYS A 623 -4.274 7.267 6.260 1.00 1.97 H new ATOM 0 HZ1 LYS A 623 -3.612 9.193 7.659 1.00 2.65 H new ATOM 0 HZ2 LYS A 623 -4.390 9.628 6.214 1.00 2.65 H new ATOM 0 HZ3 LYS A 623 -5.234 9.693 7.686 1.00 2.65 H new ATOM 162 N GLN A 624 -7.632 4.646 4.591 1.00 0.27 N ATOM 163 CA GLN A 624 -7.532 3.464 5.423 1.00 0.31 C ATOM 164 C GLN A 624 -6.836 2.355 4.652 1.00 0.24 C ATOM 165 O GLN A 624 -6.287 1.426 5.244 1.00 0.25 O ATOM 166 CB GLN A 624 -8.913 2.987 5.882 1.00 0.40 C ATOM 167 CG GLN A 624 -9.350 3.573 7.215 1.00 0.97 C ATOM 168 CD GLN A 624 -9.978 4.943 7.076 1.00 1.17 C ATOM 169 OE1 GLN A 624 -9.829 5.801 7.947 1.00 2.07 O ATOM 170 NE2 GLN A 624 -10.701 5.148 5.984 1.00 0.75 N ATOM 0 H GLN A 624 -8.578 4.869 4.282 1.00 0.27 H new ATOM 0 HA GLN A 624 -6.951 3.720 6.309 1.00 0.31 H new ATOM 0 HB2 GLN A 624 -9.649 3.248 5.122 1.00 0.40 H new ATOM 0 HB3 GLN A 624 -8.905 1.900 5.958 1.00 0.40 H new ATOM 0 HG2 GLN A 624 -10.063 2.898 7.687 1.00 0.97 H new ATOM 0 HG3 GLN A 624 -8.487 3.639 7.878 1.00 0.97 H new ATOM 0 HE21 GLN A 624 -10.796 4.407 5.289 1.00 0.75 H new ATOM 0 HE22 GLN A 624 -11.162 6.046 5.839 1.00 0.75 H new ATOM 179 N PHE A 625 -6.847 2.464 3.322 1.00 0.19 N ATOM 180 CA PHE A 625 -6.220 1.460 2.486 1.00 0.16 C ATOM 181 C PHE A 625 -4.720 1.685 2.406 1.00 0.12 C ATOM 182 O PHE A 625 -3.938 0.824 2.802 1.00 0.16 O ATOM 183 CB PHE A 625 -6.820 1.450 1.080 1.00 0.18 C ATOM 184 CG PHE A 625 -6.567 0.159 0.354 1.00 0.19 C ATOM 185 CD1 PHE A 625 -7.178 -1.017 0.752 1.00 0.25 C ATOM 186 CD2 PHE A 625 -5.728 0.131 -0.746 1.00 0.41 C ATOM 187 CE1 PHE A 625 -6.956 -2.198 0.067 1.00 0.28 C ATOM 188 CE2 PHE A 625 -5.499 -1.043 -1.431 1.00 0.45 C ATOM 189 CZ PHE A 625 -6.088 -2.246 -0.951 1.00 0.28 C ATOM 0 H PHE A 625 -7.281 3.233 2.812 1.00 0.19 H new ATOM 0 HA PHE A 625 -6.409 0.490 2.946 1.00 0.16 H new ATOM 0 HB2 PHE A 625 -7.894 1.621 1.146 1.00 0.18 H new ATOM 0 HB3 PHE A 625 -6.401 2.275 0.504 1.00 0.18 H new ATOM 0 HD1 PHE A 625 -7.836 -1.013 1.608 1.00 0.25 H new ATOM 0 HD2 PHE A 625 -5.246 1.041 -1.072 1.00 0.41 H new ATOM 0 HE1 PHE A 625 -7.489 -3.092 0.357 1.00 0.28 H new ATOM 0 HE2 PHE A 625 -4.882 -1.050 -2.318 1.00 0.45 H new ATOM 0 HZ PHE A 625 -5.836 -3.193 -1.406 1.00 0.28 H new ATOM 199 N LYS A 626 -4.325 2.853 1.900 1.00 0.16 N ATOM 200 CA LYS A 626 -2.915 3.187 1.768 1.00 0.23 C ATOM 201 C LYS A 626 -2.190 2.954 3.089 1.00 0.25 C ATOM 202 O LYS A 626 -1.134 2.316 3.133 1.00 0.30 O ATOM 203 CB LYS A 626 -2.751 4.642 1.332 1.00 0.32 C ATOM 204 CG LYS A 626 -1.342 4.973 0.869 1.00 0.39 C ATOM 205 CD LYS A 626 -0.985 6.425 1.146 1.00 1.16 C ATOM 206 CE LYS A 626 -0.662 6.652 2.615 1.00 2.12 C ATOM 207 NZ LYS A 626 -1.888 6.725 3.456 1.00 3.13 N ATOM 0 H LYS A 626 -4.963 3.580 1.576 1.00 0.16 H new ATOM 0 HA LYS A 626 -2.477 2.541 1.007 1.00 0.23 H new ATOM 0 HB2 LYS A 626 -3.451 4.853 0.524 1.00 0.32 H new ATOM 0 HB3 LYS A 626 -3.016 5.296 2.163 1.00 0.32 H new ATOM 0 HG2 LYS A 626 -0.630 4.321 1.375 1.00 0.39 H new ATOM 0 HG3 LYS A 626 -1.254 4.774 -0.199 1.00 0.39 H new ATOM 0 HD2 LYS A 626 -0.129 6.712 0.536 1.00 1.16 H new ATOM 0 HD3 LYS A 626 -1.815 7.067 0.852 1.00 1.16 H new ATOM 0 HE2 LYS A 626 -0.025 5.844 2.974 1.00 2.12 H new ATOM 0 HE3 LYS A 626 -0.095 7.577 2.722 1.00 2.12 H new ATOM 0 HZ1 LYS A 626 -1.755 7.436 4.203 1.00 3.13 H new ATOM 0 HZ2 LYS A 626 -2.700 6.993 2.864 1.00 3.13 H new ATOM 0 HZ3 LYS A 626 -2.067 5.797 3.889 1.00 3.13 H new ATOM 221 N ASP A 627 -2.772 3.473 4.165 1.00 0.33 N ATOM 222 CA ASP A 627 -2.195 3.316 5.493 1.00 0.40 C ATOM 223 C ASP A 627 -2.086 1.839 5.845 1.00 0.32 C ATOM 224 O ASP A 627 -1.054 1.385 6.338 1.00 0.29 O ATOM 225 CB ASP A 627 -3.046 4.044 6.535 1.00 0.55 C ATOM 226 CG ASP A 627 -2.480 3.915 7.936 1.00 0.90 C ATOM 227 OD1 ASP A 627 -2.836 2.943 8.635 1.00 1.36 O ATOM 228 OD2 ASP A 627 -1.677 4.785 8.335 1.00 0.97 O ATOM 0 H ASP A 627 -3.642 4.005 4.142 1.00 0.33 H new ATOM 0 HA ASP A 627 -1.197 3.754 5.492 1.00 0.40 H new ATOM 0 HB2 ASP A 627 -3.116 5.099 6.270 1.00 0.55 H new ATOM 0 HB3 ASP A 627 -4.059 3.643 6.517 1.00 0.55 H new ATOM 233 N MET A 628 -3.158 1.092 5.582 1.00 0.35 N ATOM 234 CA MET A 628 -3.179 -0.338 5.867 1.00 0.36 C ATOM 235 C MET A 628 -2.030 -1.044 5.152 1.00 0.28 C ATOM 236 O MET A 628 -1.486 -2.025 5.660 1.00 0.32 O ATOM 237 CB MET A 628 -4.524 -0.946 5.459 1.00 0.47 C ATOM 238 CG MET A 628 -4.642 -2.435 5.744 1.00 0.69 C ATOM 239 SD MET A 628 -3.978 -3.456 4.416 1.00 0.96 S ATOM 240 CE MET A 628 -5.106 -3.058 3.084 1.00 0.38 C ATOM 0 H MET A 628 -4.020 1.454 5.173 1.00 0.35 H new ATOM 0 HA MET A 628 -3.051 -0.478 6.940 1.00 0.36 H new ATOM 0 HB2 MET A 628 -5.322 -0.422 5.984 1.00 0.47 H new ATOM 0 HB3 MET A 628 -4.679 -0.777 4.393 1.00 0.47 H new ATOM 0 HG2 MET A 628 -4.116 -2.666 6.671 1.00 0.69 H new ATOM 0 HG3 MET A 628 -5.691 -2.688 5.901 1.00 0.69 H new ATOM 0 HE1 MET A 628 -4.963 -3.761 2.264 1.00 0.38 H new ATOM 0 HE2 MET A 628 -6.133 -3.125 3.444 1.00 0.38 H new ATOM 0 HE3 MET A 628 -4.910 -2.045 2.732 1.00 0.38 H new ATOM 250 N LEU A 629 -1.660 -0.544 3.975 1.00 0.22 N ATOM 251 CA LEU A 629 -0.558 -1.137 3.225 1.00 0.26 C ATOM 252 C LEU A 629 0.719 -1.023 4.040 1.00 0.31 C ATOM 253 O LEU A 629 1.454 -1.994 4.212 1.00 0.45 O ATOM 254 CB LEU A 629 -0.351 -0.447 1.873 1.00 0.28 C ATOM 255 CG LEU A 629 -1.617 -0.033 1.122 1.00 0.44 C ATOM 256 CD1 LEU A 629 -1.255 0.615 -0.197 1.00 1.01 C ATOM 257 CD2 LEU A 629 -2.530 -1.224 0.887 1.00 1.03 C ATOM 0 H LEU A 629 -2.100 0.259 3.526 1.00 0.22 H new ATOM 0 HA LEU A 629 -0.805 -2.182 3.037 1.00 0.26 H new ATOM 0 HB2 LEU A 629 0.258 0.443 2.033 1.00 0.28 H new ATOM 0 HB3 LEU A 629 0.224 -1.116 1.232 1.00 0.28 H new ATOM 0 HG LEU A 629 -2.154 0.689 1.738 1.00 0.44 H new ATOM 0 HD11 LEU A 629 -2.165 0.905 -0.722 1.00 1.01 H new ATOM 0 HD12 LEU A 629 -0.645 1.499 -0.013 1.00 1.01 H new ATOM 0 HD13 LEU A 629 -0.694 -0.092 -0.808 1.00 1.01 H new ATOM 0 HD21 LEU A 629 -3.422 -0.899 0.351 1.00 1.03 H new ATOM 0 HD22 LEU A 629 -2.005 -1.974 0.296 1.00 1.03 H new ATOM 0 HD23 LEU A 629 -2.820 -1.655 1.845 1.00 1.03 H new ATOM 269 N LEU A 630 0.970 0.183 4.537 1.00 0.29 N ATOM 270 CA LEU A 630 2.150 0.449 5.349 1.00 0.38 C ATOM 271 C LEU A 630 2.100 -0.363 6.640 1.00 0.40 C ATOM 272 O LEU A 630 3.136 -0.723 7.198 1.00 0.58 O ATOM 273 CB LEU A 630 2.244 1.953 5.651 1.00 0.44 C ATOM 274 CG LEU A 630 3.525 2.432 6.352 1.00 0.53 C ATOM 275 CD1 LEU A 630 3.420 2.246 7.858 1.00 1.22 C ATOM 276 CD2 LEU A 630 4.752 1.712 5.808 1.00 1.40 C ATOM 0 H LEU A 630 0.369 0.994 4.391 1.00 0.29 H new ATOM 0 HA LEU A 630 3.040 0.148 4.796 1.00 0.38 H new ATOM 0 HB2 LEU A 630 2.145 2.497 4.711 1.00 0.44 H new ATOM 0 HB3 LEU A 630 1.391 2.231 6.271 1.00 0.44 H new ATOM 0 HG LEU A 630 3.639 3.496 6.145 1.00 0.53 H new ATOM 0 HD11 LEU A 630 4.338 2.592 8.332 1.00 1.22 H new ATOM 0 HD12 LEU A 630 2.576 2.822 8.238 1.00 1.22 H new ATOM 0 HD13 LEU A 630 3.270 1.190 8.085 1.00 1.22 H new ATOM 0 HD21 LEU A 630 5.643 2.072 6.323 1.00 1.40 H new ATOM 0 HD22 LEU A 630 4.647 0.639 5.971 1.00 1.40 H new ATOM 0 HD23 LEU A 630 4.846 1.909 4.740 1.00 1.40 H new ATOM 288 N GLU A 631 0.886 -0.659 7.104 1.00 0.31 N ATOM 289 CA GLU A 631 0.704 -1.431 8.328 1.00 0.37 C ATOM 290 C GLU A 631 1.359 -2.804 8.211 1.00 0.31 C ATOM 291 O GLU A 631 2.187 -3.174 9.044 1.00 0.38 O ATOM 292 CB GLU A 631 -0.783 -1.587 8.654 1.00 0.48 C ATOM 293 CG GLU A 631 -1.465 -0.282 9.029 1.00 0.84 C ATOM 294 CD GLU A 631 -0.816 0.399 10.218 1.00 1.13 C ATOM 295 OE1 GLU A 631 0.119 1.200 10.005 1.00 1.76 O ATOM 296 OE2 GLU A 631 -1.241 0.130 11.362 1.00 1.33 O ATOM 0 H GLU A 631 0.017 -0.376 6.650 1.00 0.31 H new ATOM 0 HA GLU A 631 1.186 -0.886 9.139 1.00 0.37 H new ATOM 0 HB2 GLU A 631 -1.292 -2.018 7.792 1.00 0.48 H new ATOM 0 HB3 GLU A 631 -0.894 -2.294 9.476 1.00 0.48 H new ATOM 0 HG2 GLU A 631 -1.444 0.393 8.173 1.00 0.84 H new ATOM 0 HG3 GLU A 631 -2.513 -0.477 9.255 1.00 0.84 H new ATOM 303 N ARG A 632 0.994 -3.558 7.174 1.00 0.27 N ATOM 304 CA ARG A 632 1.572 -4.883 6.972 1.00 0.32 C ATOM 305 C ARG A 632 2.797 -4.788 6.081 1.00 0.28 C ATOM 306 O ARG A 632 3.433 -5.792 5.761 1.00 0.59 O ATOM 307 CB ARG A 632 0.552 -5.841 6.355 1.00 0.47 C ATOM 308 CG ARG A 632 -0.754 -5.910 7.118 1.00 0.69 C ATOM 309 CD ARG A 632 -1.768 -4.929 6.564 1.00 0.63 C ATOM 310 NE ARG A 632 -2.673 -4.432 7.597 1.00 0.98 N ATOM 311 CZ ARG A 632 -3.554 -5.196 8.235 1.00 1.37 C ATOM 312 NH1 ARG A 632 -3.646 -6.488 7.949 1.00 2.11 N ATOM 313 NH2 ARG A 632 -4.341 -4.668 9.161 1.00 1.82 N ATOM 0 H ARG A 632 0.310 -3.278 6.471 1.00 0.27 H new ATOM 0 HA ARG A 632 1.864 -5.276 7.946 1.00 0.32 H new ATOM 0 HB2 ARG A 632 0.348 -5.531 5.330 1.00 0.47 H new ATOM 0 HB3 ARG A 632 0.987 -6.839 6.305 1.00 0.47 H new ATOM 0 HG2 ARG A 632 -1.156 -6.922 7.064 1.00 0.69 H new ATOM 0 HG3 ARG A 632 -0.574 -5.694 8.171 1.00 0.69 H new ATOM 0 HD2 ARG A 632 -1.246 -4.089 6.105 1.00 0.63 H new ATOM 0 HD3 ARG A 632 -2.347 -5.412 5.777 1.00 0.63 H new ATOM 0 HE ARG A 632 -2.626 -3.443 7.843 1.00 0.98 H new ATOM 0 HH11 ARG A 632 -3.040 -6.897 7.238 1.00 2.11 H new ATOM 0 HH12 ARG A 632 -4.323 -7.072 8.440 1.00 2.11 H new ATOM 0 HH21 ARG A 632 -4.271 -3.675 9.384 1.00 1.82 H new ATOM 0 HH22 ARG A 632 -5.017 -5.254 9.651 1.00 1.82 H new ATOM 327 N GLY A 633 3.115 -3.562 5.686 1.00 0.37 N ATOM 328 CA GLY A 633 4.257 -3.328 4.832 1.00 0.45 C ATOM 329 C GLY A 633 4.106 -3.976 3.475 1.00 0.39 C ATOM 330 O GLY A 633 4.592 -5.084 3.251 1.00 0.41 O ATOM 0 H GLY A 633 2.597 -2.722 5.945 1.00 0.37 H new ATOM 0 HA2 GLY A 633 4.398 -2.255 4.705 1.00 0.45 H new ATOM 0 HA3 GLY A 633 5.154 -3.712 5.317 1.00 0.45 H new ATOM 334 N VAL A 634 3.416 -3.286 2.574 1.00 0.32 N ATOM 335 CA VAL A 634 3.219 -3.777 1.224 1.00 0.27 C ATOM 336 C VAL A 634 4.471 -3.473 0.406 1.00 0.32 C ATOM 337 O VAL A 634 4.425 -2.780 -0.607 1.00 0.57 O ATOM 338 CB VAL A 634 1.952 -3.159 0.580 1.00 0.20 C ATOM 339 CG1 VAL A 634 1.858 -3.476 -0.907 1.00 0.27 C ATOM 340 CG2 VAL A 634 0.711 -3.664 1.301 1.00 0.23 C ATOM 0 H VAL A 634 2.984 -2.381 2.760 1.00 0.32 H new ATOM 0 HA VAL A 634 3.059 -4.855 1.248 1.00 0.27 H new ATOM 0 HB VAL A 634 2.021 -2.076 0.680 1.00 0.20 H new ATOM 0 HG11 VAL A 634 0.956 -3.024 -1.319 1.00 0.27 H new ATOM 0 HG12 VAL A 634 2.732 -3.075 -1.420 1.00 0.27 H new ATOM 0 HG13 VAL A 634 1.819 -4.556 -1.047 1.00 0.27 H new ATOM 0 HG21 VAL A 634 -0.178 -3.227 0.845 1.00 0.23 H new ATOM 0 HG22 VAL A 634 0.662 -4.750 1.224 1.00 0.23 H new ATOM 0 HG23 VAL A 634 0.758 -3.377 2.351 1.00 0.23 H new ATOM 350 N SER A 635 5.595 -3.988 0.919 1.00 0.20 N ATOM 351 CA SER A 635 6.918 -3.832 0.318 1.00 0.21 C ATOM 352 C SER A 635 6.909 -2.934 -0.908 1.00 0.21 C ATOM 353 O SER A 635 6.419 -3.315 -1.972 1.00 0.24 O ATOM 354 CB SER A 635 7.478 -5.198 -0.046 1.00 0.25 C ATOM 355 OG SER A 635 8.699 -5.079 -0.754 1.00 0.26 O ATOM 0 H SER A 635 5.607 -4.535 1.780 1.00 0.20 H new ATOM 0 HA SER A 635 7.553 -3.348 1.060 1.00 0.21 H new ATOM 0 HB2 SER A 635 7.636 -5.783 0.860 1.00 0.25 H new ATOM 0 HB3 SER A 635 6.754 -5.741 -0.653 1.00 0.25 H new ATOM 0 HG SER A 635 9.313 -4.503 -0.253 1.00 0.26 H new ATOM 361 N ALA A 636 7.476 -1.748 -0.752 1.00 0.22 N ATOM 362 CA ALA A 636 7.537 -0.778 -1.831 1.00 0.25 C ATOM 363 C ALA A 636 8.530 -1.204 -2.915 1.00 0.26 C ATOM 364 O ALA A 636 9.007 -0.378 -3.694 1.00 0.39 O ATOM 365 CB ALA A 636 7.896 0.588 -1.267 1.00 0.29 C ATOM 0 H ALA A 636 7.903 -1.434 0.119 1.00 0.22 H new ATOM 0 HA ALA A 636 6.556 -0.722 -2.303 1.00 0.25 H new ATOM 0 HB1 ALA A 636 7.942 1.316 -2.077 1.00 0.29 H new ATOM 0 HB2 ALA A 636 7.138 0.895 -0.546 1.00 0.29 H new ATOM 0 HB3 ALA A 636 8.866 0.534 -0.773 1.00 0.29 H new ATOM 371 N PHE A 637 8.833 -2.500 -2.956 1.00 0.25 N ATOM 372 CA PHE A 637 9.753 -3.054 -3.943 1.00 0.25 C ATOM 373 C PHE A 637 9.572 -4.568 -4.060 1.00 0.22 C ATOM 374 O PHE A 637 10.545 -5.325 -4.066 1.00 0.29 O ATOM 375 CB PHE A 637 11.206 -2.715 -3.581 1.00 0.29 C ATOM 376 CG PHE A 637 11.471 -2.660 -2.101 1.00 0.30 C ATOM 377 CD1 PHE A 637 11.425 -3.811 -1.329 1.00 0.40 C ATOM 378 CD2 PHE A 637 11.773 -1.456 -1.483 1.00 0.36 C ATOM 379 CE1 PHE A 637 11.671 -3.761 0.031 1.00 0.47 C ATOM 380 CE2 PHE A 637 12.020 -1.400 -0.125 1.00 0.39 C ATOM 381 CZ PHE A 637 11.969 -2.553 0.633 1.00 0.41 C ATOM 0 H PHE A 637 8.450 -3.190 -2.310 1.00 0.25 H new ATOM 0 HA PHE A 637 9.525 -2.604 -4.909 1.00 0.25 H new ATOM 0 HB2 PHE A 637 11.864 -3.458 -4.030 1.00 0.29 H new ATOM 0 HB3 PHE A 637 11.464 -1.752 -4.022 1.00 0.29 H new ATOM 0 HD1 PHE A 637 11.194 -4.757 -1.795 1.00 0.40 H new ATOM 0 HD2 PHE A 637 11.816 -0.551 -2.071 1.00 0.36 H new ATOM 0 HE1 PHE A 637 11.630 -4.664 0.622 1.00 0.47 H new ATOM 0 HE2 PHE A 637 12.253 -0.455 0.343 1.00 0.39 H new ATOM 0 HZ PHE A 637 12.162 -2.511 1.695 1.00 0.41 H new ATOM 391 N SER A 638 8.313 -5.001 -4.154 1.00 0.17 N ATOM 392 CA SER A 638 7.987 -6.423 -4.272 1.00 0.16 C ATOM 393 C SER A 638 6.828 -6.641 -5.242 1.00 0.16 C ATOM 394 O SER A 638 6.440 -5.729 -5.972 1.00 0.23 O ATOM 395 CB SER A 638 7.629 -6.999 -2.900 1.00 0.18 C ATOM 396 OG SER A 638 8.793 -7.298 -2.151 1.00 1.15 O ATOM 0 H SER A 638 7.500 -4.385 -4.151 1.00 0.17 H new ATOM 0 HA SER A 638 8.865 -6.939 -4.662 1.00 0.16 H new ATOM 0 HB2 SER A 638 7.014 -6.285 -2.352 1.00 0.18 H new ATOM 0 HB3 SER A 638 7.032 -7.902 -3.026 1.00 0.18 H new ATOM 0 HG SER A 638 9.111 -6.487 -1.703 1.00 1.15 H new ATOM 402 N THR A 639 6.278 -7.855 -5.243 1.00 0.16 N ATOM 403 CA THR A 639 5.164 -8.189 -6.122 1.00 0.18 C ATOM 404 C THR A 639 3.828 -8.060 -5.399 1.00 0.17 C ATOM 405 O THR A 639 3.674 -8.510 -4.263 1.00 0.19 O ATOM 406 CB THR A 639 5.292 -9.616 -6.684 1.00 0.22 C ATOM 407 OG1 THR A 639 4.034 -10.051 -7.215 1.00 0.29 O ATOM 408 CG2 THR A 639 5.761 -10.588 -5.613 1.00 0.22 C ATOM 0 H THR A 639 6.587 -8.621 -4.645 1.00 0.16 H new ATOM 0 HA THR A 639 5.198 -7.478 -6.947 1.00 0.18 H new ATOM 0 HB THR A 639 6.036 -9.598 -7.481 1.00 0.22 H new ATOM 0 HG1 THR A 639 4.126 -10.959 -7.572 1.00 0.29 H new ATOM 0 HG21 THR A 639 5.842 -11.588 -6.039 1.00 0.22 H new ATOM 0 HG22 THR A 639 6.735 -10.274 -5.238 1.00 0.22 H new ATOM 0 HG23 THR A 639 5.043 -10.600 -4.793 1.00 0.22 H new ATOM 416 N TRP A 640 2.870 -7.440 -6.080 1.00 0.16 N ATOM 417 CA TRP A 640 1.533 -7.224 -5.538 1.00 0.17 C ATOM 418 C TRP A 640 0.921 -8.497 -4.951 1.00 0.17 C ATOM 419 O TRP A 640 0.010 -8.421 -4.130 1.00 0.18 O ATOM 420 CB TRP A 640 0.620 -6.678 -6.639 1.00 0.20 C ATOM 421 CG TRP A 640 -0.840 -6.748 -6.305 1.00 0.21 C ATOM 422 CD1 TRP A 640 -1.707 -7.740 -6.657 1.00 0.23 C ATOM 423 CD2 TRP A 640 -1.598 -5.802 -5.544 1.00 0.23 C ATOM 424 NE1 TRP A 640 -2.963 -7.460 -6.176 1.00 0.25 N ATOM 425 CE2 TRP A 640 -2.921 -6.279 -5.486 1.00 0.26 C ATOM 426 CE3 TRP A 640 -1.290 -4.598 -4.909 1.00 0.25 C ATOM 427 CZ2 TRP A 640 -3.932 -5.594 -4.819 1.00 0.30 C ATOM 428 CZ3 TRP A 640 -2.295 -3.920 -4.243 1.00 0.30 C ATOM 429 CH2 TRP A 640 -3.602 -4.420 -4.203 1.00 0.32 C ATOM 0 H TRP A 640 2.998 -7.073 -7.023 1.00 0.16 H new ATOM 0 HA TRP A 640 1.625 -6.505 -4.724 1.00 0.17 H new ATOM 0 HB2 TRP A 640 0.888 -5.641 -6.839 1.00 0.20 H new ATOM 0 HB3 TRP A 640 0.800 -7.236 -7.558 1.00 0.20 H new ATOM 0 HD1 TRP A 640 -1.445 -8.617 -7.230 1.00 0.23 H new ATOM 0 HE1 TRP A 640 -3.792 -8.038 -6.311 1.00 0.25 H new ATOM 0 HE3 TRP A 640 -0.285 -4.203 -4.937 1.00 0.25 H new ATOM 0 HZ2 TRP A 640 -4.941 -5.977 -4.789 1.00 0.30 H new ATOM 0 HZ3 TRP A 640 -2.067 -2.989 -3.745 1.00 0.30 H new ATOM 0 HH2 TRP A 640 -4.364 -3.867 -3.675 1.00 0.32 H new ATOM 440 N GLU A 641 1.410 -9.659 -5.370 1.00 0.18 N ATOM 441 CA GLU A 641 0.867 -10.922 -4.875 1.00 0.19 C ATOM 442 C GLU A 641 1.391 -11.248 -3.488 1.00 0.16 C ATOM 443 O GLU A 641 0.621 -11.615 -2.596 1.00 0.15 O ATOM 444 CB GLU A 641 1.177 -12.059 -5.848 1.00 0.24 C ATOM 445 CG GLU A 641 0.717 -11.785 -7.270 1.00 0.88 C ATOM 446 CD GLU A 641 0.993 -12.945 -8.207 1.00 1.77 C ATOM 447 OE1 GLU A 641 0.134 -13.845 -8.307 1.00 2.59 O ATOM 448 OE2 GLU A 641 2.069 -12.952 -8.842 1.00 2.18 O ATOM 0 H GLU A 641 2.171 -9.755 -6.042 1.00 0.18 H new ATOM 0 HA GLU A 641 -0.215 -10.811 -4.802 1.00 0.19 H new ATOM 0 HB2 GLU A 641 2.252 -12.240 -5.851 1.00 0.24 H new ATOM 0 HB3 GLU A 641 0.701 -12.972 -5.491 1.00 0.24 H new ATOM 0 HG2 GLU A 641 -0.352 -11.572 -7.267 1.00 0.88 H new ATOM 0 HG3 GLU A 641 1.219 -10.893 -7.645 1.00 0.88 H new ATOM 455 N LYS A 642 2.693 -11.138 -3.306 1.00 0.16 N ATOM 456 CA LYS A 642 3.273 -11.392 -1.997 1.00 0.16 C ATOM 457 C LYS A 642 2.622 -10.436 -1.013 1.00 0.15 C ATOM 458 O LYS A 642 2.227 -10.804 0.103 1.00 0.18 O ATOM 459 CB LYS A 642 4.790 -11.188 -2.020 1.00 0.17 C ATOM 460 CG LYS A 642 5.547 -12.332 -2.675 1.00 0.26 C ATOM 461 CD LYS A 642 7.048 -12.085 -2.667 1.00 1.28 C ATOM 462 CE LYS A 642 7.808 -13.246 -3.290 1.00 1.89 C ATOM 463 NZ LYS A 642 9.275 -12.994 -3.329 1.00 2.61 N ATOM 0 H LYS A 642 3.361 -10.879 -4.032 1.00 0.16 H new ATOM 0 HA LYS A 642 3.093 -12.426 -1.702 1.00 0.16 H new ATOM 0 HB2 LYS A 642 5.016 -10.263 -2.550 1.00 0.17 H new ATOM 0 HB3 LYS A 642 5.147 -11.065 -0.998 1.00 0.17 H new ATOM 0 HG2 LYS A 642 5.328 -13.262 -2.151 1.00 0.26 H new ATOM 0 HG3 LYS A 642 5.203 -12.456 -3.702 1.00 0.26 H new ATOM 0 HD2 LYS A 642 7.270 -11.169 -3.214 1.00 1.28 H new ATOM 0 HD3 LYS A 642 7.388 -11.935 -1.642 1.00 1.28 H new ATOM 0 HE2 LYS A 642 7.611 -14.155 -2.722 1.00 1.89 H new ATOM 0 HE3 LYS A 642 7.442 -13.417 -4.302 1.00 1.89 H new ATOM 0 HZ1 LYS A 642 9.756 -13.809 -3.761 1.00 2.61 H new ATOM 0 HZ2 LYS A 642 9.466 -12.141 -3.893 1.00 2.61 H new ATOM 0 HZ3 LYS A 642 9.629 -12.856 -2.361 1.00 2.61 H new ATOM 477 N GLU A 643 2.471 -9.203 -1.471 1.00 0.16 N ATOM 478 CA GLU A 643 1.856 -8.175 -0.671 1.00 0.20 C ATOM 479 C GLU A 643 0.360 -8.417 -0.575 1.00 0.15 C ATOM 480 O GLU A 643 -0.305 -7.917 0.335 1.00 0.15 O ATOM 481 CB GLU A 643 2.149 -6.794 -1.251 1.00 0.31 C ATOM 482 CG GLU A 643 3.606 -6.598 -1.647 1.00 0.36 C ATOM 483 CD GLU A 643 4.571 -7.075 -0.579 1.00 1.19 C ATOM 484 OE1 GLU A 643 4.591 -6.475 0.516 1.00 1.68 O ATOM 485 OE2 GLU A 643 5.304 -8.053 -0.838 1.00 1.68 O ATOM 0 H GLU A 643 2.770 -8.897 -2.397 1.00 0.16 H new ATOM 0 HA GLU A 643 2.278 -8.212 0.333 1.00 0.20 H new ATOM 0 HB2 GLU A 643 1.518 -6.635 -2.126 1.00 0.31 H new ATOM 0 HB3 GLU A 643 1.875 -6.035 -0.518 1.00 0.31 H new ATOM 0 HG2 GLU A 643 3.802 -7.136 -2.575 1.00 0.36 H new ATOM 0 HG3 GLU A 643 3.785 -5.542 -1.847 1.00 0.36 H new ATOM 492 N LEU A 644 -0.166 -9.190 -1.519 1.00 0.16 N ATOM 493 CA LEU A 644 -1.579 -9.515 -1.513 1.00 0.21 C ATOM 494 C LEU A 644 -1.908 -10.201 -0.212 1.00 0.24 C ATOM 495 O LEU A 644 -2.517 -9.608 0.665 1.00 0.33 O ATOM 496 CB LEU A 644 -1.956 -10.441 -2.667 1.00 0.24 C ATOM 497 CG LEU A 644 -3.417 -10.400 -3.081 1.00 0.23 C ATOM 498 CD1 LEU A 644 -3.681 -9.203 -3.973 1.00 0.47 C ATOM 499 CD2 LEU A 644 -3.818 -11.691 -3.779 1.00 0.40 C ATOM 0 H LEU A 644 0.363 -9.598 -2.290 1.00 0.16 H new ATOM 0 HA LEU A 644 -2.142 -8.589 -1.627 1.00 0.21 H new ATOM 0 HB2 LEU A 644 -1.343 -10.185 -3.531 1.00 0.24 H new ATOM 0 HB3 LEU A 644 -1.703 -11.464 -2.388 1.00 0.24 H new ATOM 0 HG LEU A 644 -4.025 -10.300 -2.182 1.00 0.23 H new ATOM 0 HD11 LEU A 644 -4.732 -9.188 -4.261 1.00 0.47 H new ATOM 0 HD12 LEU A 644 -3.440 -8.287 -3.434 1.00 0.47 H new ATOM 0 HD13 LEU A 644 -3.061 -9.272 -4.867 1.00 0.47 H new ATOM 0 HD21 LEU A 644 -4.868 -11.638 -4.066 1.00 0.40 H new ATOM 0 HD22 LEU A 644 -3.205 -11.829 -4.670 1.00 0.40 H new ATOM 0 HD23 LEU A 644 -3.669 -12.532 -3.102 1.00 0.40 H new ATOM 511 N HIS A 645 -1.456 -11.445 -0.077 1.00 0.22 N ATOM 512 CA HIS A 645 -1.725 -12.213 1.126 1.00 0.27 C ATOM 513 C HIS A 645 -1.421 -11.390 2.372 1.00 0.24 C ATOM 514 O HIS A 645 -2.170 -11.441 3.356 1.00 0.25 O ATOM 515 CB HIS A 645 -0.949 -13.538 1.135 1.00 0.32 C ATOM 516 CG HIS A 645 0.529 -13.400 1.334 1.00 0.31 C ATOM 517 ND1 HIS A 645 1.058 -13.055 2.554 1.00 0.87 N ATOM 518 CD2 HIS A 645 1.539 -13.599 0.453 1.00 1.01 C ATOM 519 CE1 HIS A 645 2.370 -13.055 2.391 1.00 0.55 C ATOM 520 NE2 HIS A 645 2.709 -13.378 1.134 1.00 0.70 N ATOM 0 H HIS A 645 -0.906 -11.936 -0.782 1.00 0.22 H new ATOM 0 HA HIS A 645 -2.787 -12.459 1.132 1.00 0.27 H new ATOM 0 HB2 HIS A 645 -1.350 -14.172 1.926 1.00 0.32 H new ATOM 0 HB3 HIS A 645 -1.128 -14.054 0.191 1.00 0.32 H new ATOM 0 HD2 HIS A 645 1.442 -13.878 -0.586 1.00 1.01 H new ATOM 0 HE1 HIS A 645 3.080 -12.824 3.172 1.00 0.55 H new ATOM 0 HE2 HIS A 645 3.654 -13.446 0.757 1.00 0.70 H new ATOM 528 N LYS A 646 -0.343 -10.605 2.312 1.00 0.21 N ATOM 529 CA LYS A 646 0.044 -9.766 3.440 1.00 0.22 C ATOM 530 C LYS A 646 -1.133 -8.950 3.968 1.00 0.19 C ATOM 531 O LYS A 646 -1.332 -8.844 5.180 1.00 0.22 O ATOM 532 CB LYS A 646 1.179 -8.821 3.035 1.00 0.26 C ATOM 533 CG LYS A 646 2.520 -9.513 2.857 1.00 0.38 C ATOM 534 CD LYS A 646 3.467 -9.214 4.010 1.00 0.66 C ATOM 535 CE LYS A 646 2.955 -9.784 5.323 1.00 1.85 C ATOM 536 NZ LYS A 646 3.905 -9.537 6.442 1.00 2.51 N ATOM 0 H LYS A 646 0.271 -10.535 1.500 1.00 0.21 H new ATOM 0 HA LYS A 646 0.384 -10.429 4.236 1.00 0.22 H new ATOM 0 HB2 LYS A 646 0.910 -8.325 2.103 1.00 0.26 H new ATOM 0 HB3 LYS A 646 1.280 -8.044 3.792 1.00 0.26 H new ATOM 0 HG2 LYS A 646 2.367 -10.590 2.782 1.00 0.38 H new ATOM 0 HG3 LYS A 646 2.974 -9.190 1.920 1.00 0.38 H new ATOM 0 HD2 LYS A 646 4.450 -9.632 3.791 1.00 0.66 H new ATOM 0 HD3 LYS A 646 3.593 -8.136 4.106 1.00 0.66 H new ATOM 0 HE2 LYS A 646 1.990 -9.338 5.561 1.00 1.85 H new ATOM 0 HE3 LYS A 646 2.792 -10.856 5.215 1.00 1.85 H new ATOM 0 HZ1 LYS A 646 3.520 -9.941 7.320 1.00 2.51 H new ATOM 0 HZ2 LYS A 646 4.819 -9.985 6.227 1.00 2.51 H new ATOM 0 HZ3 LYS A 646 4.041 -8.513 6.562 1.00 2.51 H new ATOM 550 N ILE A 647 -1.910 -8.374 3.057 1.00 0.16 N ATOM 551 CA ILE A 647 -3.043 -7.534 3.439 1.00 0.14 C ATOM 552 C ILE A 647 -4.409 -8.224 3.312 1.00 0.16 C ATOM 553 O ILE A 647 -5.367 -7.807 3.960 1.00 0.39 O ATOM 554 CB ILE A 647 -3.055 -6.255 2.596 1.00 0.15 C ATOM 555 CG1 ILE A 647 -3.134 -6.628 1.114 1.00 0.19 C ATOM 556 CG2 ILE A 647 -1.813 -5.423 2.895 1.00 0.26 C ATOM 557 CD1 ILE A 647 -2.774 -5.502 0.179 1.00 0.21 C ATOM 0 H ILE A 647 -1.778 -8.472 2.050 1.00 0.16 H new ATOM 0 HA ILE A 647 -2.899 -7.310 4.496 1.00 0.14 H new ATOM 0 HB ILE A 647 -3.927 -5.652 2.847 1.00 0.15 H new ATOM 0 HG12 ILE A 647 -2.468 -7.470 0.926 1.00 0.19 H new ATOM 0 HG13 ILE A 647 -4.146 -6.965 0.888 1.00 0.19 H new ATOM 0 HG21 ILE A 647 -1.829 -4.515 2.292 1.00 0.26 H new ATOM 0 HG22 ILE A 647 -1.800 -5.156 3.952 1.00 0.26 H new ATOM 0 HG23 ILE A 647 -0.921 -6.002 2.656 1.00 0.26 H new ATOM 0 HD11 ILE A 647 -2.854 -5.846 -0.852 1.00 0.21 H new ATOM 0 HD12 ILE A 647 -3.455 -4.666 0.337 1.00 0.21 H new ATOM 0 HD13 ILE A 647 -1.752 -5.179 0.375 1.00 0.21 H new ATOM 569 N VAL A 648 -4.510 -9.258 2.479 1.00 0.22 N ATOM 570 CA VAL A 648 -5.786 -9.951 2.291 1.00 0.21 C ATOM 571 C VAL A 648 -6.259 -10.567 3.596 1.00 0.17 C ATOM 572 O VAL A 648 -7.462 -10.700 3.822 1.00 0.15 O ATOM 573 CB VAL A 648 -5.731 -11.036 1.194 1.00 0.30 C ATOM 574 CG1 VAL A 648 -5.083 -10.494 -0.064 1.00 1.28 C ATOM 575 CG2 VAL A 648 -5.026 -12.285 1.697 1.00 0.89 C ATOM 0 H VAL A 648 -3.736 -9.632 1.930 1.00 0.22 H new ATOM 0 HA VAL A 648 -6.497 -9.193 1.960 1.00 0.21 H new ATOM 0 HB VAL A 648 -6.752 -11.321 0.942 1.00 0.30 H new ATOM 0 HG11 VAL A 648 -5.054 -11.275 -0.824 1.00 1.28 H new ATOM 0 HG12 VAL A 648 -5.661 -9.647 -0.435 1.00 1.28 H new ATOM 0 HG13 VAL A 648 -4.067 -10.169 0.161 1.00 1.28 H new ATOM 0 HG21 VAL A 648 -5.001 -13.033 0.905 1.00 0.89 H new ATOM 0 HG22 VAL A 648 -4.007 -12.034 1.991 1.00 0.89 H new ATOM 0 HG23 VAL A 648 -5.564 -12.685 2.557 1.00 0.89 H new ATOM 585 N PHE A 649 -5.313 -10.950 4.456 1.00 0.20 N ATOM 586 CA PHE A 649 -5.675 -11.508 5.755 1.00 0.23 C ATOM 587 C PHE A 649 -6.537 -10.501 6.512 1.00 0.22 C ATOM 588 O PHE A 649 -7.133 -10.813 7.542 1.00 0.30 O ATOM 589 CB PHE A 649 -4.425 -11.859 6.565 1.00 0.29 C ATOM 590 CG PHE A 649 -3.940 -13.264 6.341 1.00 1.30 C ATOM 591 CD1 PHE A 649 -3.451 -13.655 5.105 1.00 2.32 C ATOM 592 CD2 PHE A 649 -3.974 -14.194 7.367 1.00 1.62 C ATOM 593 CE1 PHE A 649 -3.005 -14.946 4.897 1.00 3.53 C ATOM 594 CE2 PHE A 649 -3.530 -15.487 7.165 1.00 2.80 C ATOM 595 CZ PHE A 649 -3.045 -15.864 5.928 1.00 3.74 C ATOM 0 H PHE A 649 -4.310 -10.885 4.280 1.00 0.20 H new ATOM 0 HA PHE A 649 -6.241 -12.427 5.602 1.00 0.23 H new ATOM 0 HB2 PHE A 649 -3.627 -11.162 6.307 1.00 0.29 H new ATOM 0 HB3 PHE A 649 -4.638 -11.721 7.625 1.00 0.29 H new ATOM 0 HD1 PHE A 649 -3.418 -12.942 4.294 1.00 2.32 H new ATOM 0 HD2 PHE A 649 -4.352 -13.905 8.337 1.00 1.62 H new ATOM 0 HE1 PHE A 649 -2.625 -15.237 3.929 1.00 3.53 H new ATOM 0 HE2 PHE A 649 -3.562 -16.202 7.974 1.00 2.80 H new ATOM 0 HZ PHE A 649 -2.698 -16.874 5.767 1.00 3.74 H new ATOM 605 N ASP A 650 -6.586 -9.285 5.970 1.00 0.24 N ATOM 606 CA ASP A 650 -7.370 -8.198 6.537 1.00 0.32 C ATOM 607 C ASP A 650 -8.542 -7.864 5.617 1.00 0.31 C ATOM 608 O ASP A 650 -8.424 -7.975 4.397 1.00 0.25 O ATOM 609 CB ASP A 650 -6.497 -6.955 6.701 1.00 0.37 C ATOM 610 CG ASP A 650 -6.601 -6.352 8.089 1.00 0.55 C ATOM 611 OD1 ASP A 650 -6.200 -7.026 9.062 1.00 0.65 O ATOM 612 OD2 ASP A 650 -7.080 -5.205 8.203 1.00 0.68 O ATOM 0 H ASP A 650 -6.080 -9.029 5.122 1.00 0.24 H new ATOM 0 HA ASP A 650 -7.747 -8.512 7.510 1.00 0.32 H new ATOM 0 HB2 ASP A 650 -5.458 -7.215 6.498 1.00 0.37 H new ATOM 0 HB3 ASP A 650 -6.789 -6.209 5.961 1.00 0.37 H new ATOM 617 N PRO A 651 -9.691 -7.447 6.180 1.00 0.40 N ATOM 618 CA PRO A 651 -10.861 -7.092 5.382 1.00 0.44 C ATOM 619 C PRO A 651 -10.707 -5.727 4.732 1.00 0.45 C ATOM 620 O PRO A 651 -11.573 -5.283 3.978 1.00 0.51 O ATOM 621 CB PRO A 651 -11.995 -7.083 6.405 1.00 0.55 C ATOM 622 CG PRO A 651 -11.335 -6.723 7.692 1.00 0.67 C ATOM 623 CD PRO A 651 -9.942 -7.297 7.629 1.00 0.50 C ATOM 0 HA PRO A 651 -11.029 -7.784 4.557 1.00 0.44 H new ATOM 0 HB2 PRO A 651 -12.765 -6.359 6.138 1.00 0.55 H new ATOM 0 HB3 PRO A 651 -12.481 -8.057 6.467 1.00 0.55 H new ATOM 0 HG2 PRO A 651 -11.304 -5.641 7.824 1.00 0.67 H new ATOM 0 HG3 PRO A 651 -11.886 -7.132 8.539 1.00 0.67 H new ATOM 0 HD2 PRO A 651 -9.214 -6.633 8.095 1.00 0.50 H new ATOM 0 HD3 PRO A 651 -9.879 -8.254 8.148 1.00 0.50 H new ATOM 631 N ARG A 652 -9.597 -5.064 5.034 1.00 0.47 N ATOM 632 CA ARG A 652 -9.315 -3.759 4.463 1.00 0.52 C ATOM 633 C ARG A 652 -8.794 -3.929 3.048 1.00 0.38 C ATOM 634 O ARG A 652 -8.803 -2.991 2.255 1.00 0.34 O ATOM 635 CB ARG A 652 -8.287 -3.002 5.308 1.00 0.70 C ATOM 636 CG ARG A 652 -8.683 -2.844 6.765 1.00 0.61 C ATOM 637 CD ARG A 652 -7.815 -1.807 7.462 1.00 0.62 C ATOM 638 NE ARG A 652 -7.712 -2.050 8.898 1.00 1.22 N ATOM 639 CZ ARG A 652 -7.751 -1.087 9.815 1.00 1.42 C ATOM 640 NH1 ARG A 652 -7.900 0.178 9.449 1.00 1.26 N ATOM 641 NH2 ARG A 652 -7.640 -1.391 11.101 1.00 2.28 N ATOM 0 H ARG A 652 -8.880 -5.411 5.671 1.00 0.47 H new ATOM 0 HA ARG A 652 -10.238 -3.179 4.449 1.00 0.52 H new ATOM 0 HB2 ARG A 652 -7.332 -3.526 5.256 1.00 0.70 H new ATOM 0 HB3 ARG A 652 -8.132 -2.014 4.875 1.00 0.70 H new ATOM 0 HG2 ARG A 652 -9.730 -2.548 6.830 1.00 0.61 H new ATOM 0 HG3 ARG A 652 -8.590 -3.802 7.276 1.00 0.61 H new ATOM 0 HD2 ARG A 652 -6.818 -1.815 7.021 1.00 0.62 H new ATOM 0 HD3 ARG A 652 -8.231 -0.814 7.292 1.00 0.62 H new ATOM 0 HE ARG A 652 -7.604 -3.013 9.216 1.00 1.22 H new ATOM 0 HH11 ARG A 652 -7.985 0.416 8.461 1.00 1.26 H new ATOM 0 HH12 ARG A 652 -7.929 0.913 10.155 1.00 1.26 H new ATOM 0 HH21 ARG A 652 -7.525 -2.363 11.387 1.00 2.28 H new ATOM 0 HH22 ARG A 652 -7.670 -0.653 11.804 1.00 2.28 H new ATOM 655 N TYR A 653 -8.347 -5.142 2.735 1.00 0.34 N ATOM 656 CA TYR A 653 -7.826 -5.444 1.420 1.00 0.24 C ATOM 657 C TYR A 653 -8.947 -5.374 0.389 1.00 0.19 C ATOM 658 O TYR A 653 -8.707 -5.227 -0.809 1.00 0.20 O ATOM 659 CB TYR A 653 -7.166 -6.828 1.413 1.00 0.22 C ATOM 660 CG TYR A 653 -7.036 -7.436 0.034 1.00 0.23 C ATOM 661 CD1 TYR A 653 -6.035 -7.017 -0.828 1.00 0.27 C ATOM 662 CD2 TYR A 653 -7.896 -8.437 -0.398 1.00 0.28 C ATOM 663 CE1 TYR A 653 -5.895 -7.572 -2.082 1.00 0.34 C ATOM 664 CE2 TYR A 653 -7.761 -9.001 -1.647 1.00 0.35 C ATOM 665 CZ TYR A 653 -6.834 -8.542 -2.506 1.00 0.37 C ATOM 666 OH TYR A 653 -6.616 -9.125 -3.736 1.00 0.48 O ATOM 0 H TYR A 653 -8.338 -5.930 3.383 1.00 0.34 H new ATOM 0 HA TYR A 653 -7.068 -4.705 1.160 1.00 0.24 H new ATOM 0 HB2 TYR A 653 -6.175 -6.750 1.860 1.00 0.22 H new ATOM 0 HB3 TYR A 653 -7.748 -7.501 2.043 1.00 0.22 H new ATOM 0 HD1 TYR A 653 -5.353 -6.242 -0.512 1.00 0.27 H new ATOM 0 HD2 TYR A 653 -8.684 -8.779 0.257 1.00 0.28 H new ATOM 0 HE1 TYR A 653 -5.084 -7.272 -2.729 1.00 0.34 H new ATOM 0 HE2 TYR A 653 -8.404 -9.818 -1.939 1.00 0.35 H new ATOM 0 HH TYR A 653 -6.352 -10.061 -3.612 1.00 0.48 H new ATOM 676 N LEU A 654 -10.178 -5.464 0.880 1.00 0.23 N ATOM 677 CA LEU A 654 -11.356 -5.426 0.025 1.00 0.26 C ATOM 678 C LEU A 654 -12.025 -4.054 0.068 1.00 0.28 C ATOM 679 O LEU A 654 -13.250 -3.949 0.012 1.00 0.38 O ATOM 680 CB LEU A 654 -12.346 -6.504 0.471 1.00 0.34 C ATOM 681 CG LEU A 654 -11.733 -7.886 0.705 1.00 0.39 C ATOM 682 CD1 LEU A 654 -12.769 -8.839 1.278 1.00 0.46 C ATOM 683 CD2 LEU A 654 -11.154 -8.441 -0.589 1.00 0.40 C ATOM 0 H LEU A 654 -10.385 -5.565 1.874 1.00 0.23 H new ATOM 0 HA LEU A 654 -11.043 -5.616 -1.002 1.00 0.26 H new ATOM 0 HB2 LEU A 654 -12.827 -6.176 1.392 1.00 0.34 H new ATOM 0 HB3 LEU A 654 -13.128 -6.593 -0.283 1.00 0.34 H new ATOM 0 HG LEU A 654 -10.923 -7.784 1.427 1.00 0.39 H new ATOM 0 HD11 LEU A 654 -12.315 -9.817 1.438 1.00 0.46 H new ATOM 0 HD12 LEU A 654 -13.136 -8.450 2.228 1.00 0.46 H new ATOM 0 HD13 LEU A 654 -13.601 -8.935 0.580 1.00 0.46 H new ATOM 0 HD21 LEU A 654 -10.723 -9.424 -0.402 1.00 0.40 H new ATOM 0 HD22 LEU A 654 -11.945 -8.527 -1.334 1.00 0.40 H new ATOM 0 HD23 LEU A 654 -10.379 -7.769 -0.959 1.00 0.40 H new ATOM 695 N LEU A 655 -11.213 -3.005 0.165 1.00 0.24 N ATOM 696 CA LEU A 655 -11.732 -1.642 0.223 1.00 0.27 C ATOM 697 C LEU A 655 -12.000 -1.058 -1.167 1.00 0.23 C ATOM 698 O LEU A 655 -13.148 -0.997 -1.609 1.00 0.27 O ATOM 699 CB LEU A 655 -10.762 -0.737 0.987 1.00 0.30 C ATOM 700 CG LEU A 655 -10.841 -0.834 2.514 1.00 0.39 C ATOM 701 CD1 LEU A 655 -9.820 0.089 3.161 1.00 0.43 C ATOM 702 CD2 LEU A 655 -12.243 -0.499 3.002 1.00 0.43 C ATOM 0 H LEU A 655 -10.196 -3.072 0.205 1.00 0.24 H new ATOM 0 HA LEU A 655 -12.686 -1.687 0.748 1.00 0.27 H new ATOM 0 HB2 LEU A 655 -9.745 -0.978 0.676 1.00 0.30 H new ATOM 0 HB3 LEU A 655 -10.949 0.296 0.695 1.00 0.30 H new ATOM 0 HG LEU A 655 -10.612 -1.860 2.803 1.00 0.39 H new ATOM 0 HD11 LEU A 655 -9.891 0.007 4.246 1.00 0.43 H new ATOM 0 HD12 LEU A 655 -8.818 -0.195 2.840 1.00 0.43 H new ATOM 0 HD13 LEU A 655 -10.019 1.118 2.862 1.00 0.43 H new ATOM 0 HD21 LEU A 655 -12.278 -0.574 4.089 1.00 0.43 H new ATOM 0 HD22 LEU A 655 -12.501 0.516 2.700 1.00 0.43 H new ATOM 0 HD23 LEU A 655 -12.957 -1.199 2.567 1.00 0.43 H new ATOM 714 N LEU A 656 -10.940 -0.635 -1.854 1.00 0.17 N ATOM 715 CA LEU A 656 -11.080 -0.026 -3.178 1.00 0.16 C ATOM 716 C LEU A 656 -11.449 -1.043 -4.252 1.00 0.18 C ATOM 717 O LEU A 656 -11.724 -2.207 -3.968 1.00 0.31 O ATOM 718 CB LEU A 656 -9.791 0.696 -3.593 1.00 0.16 C ATOM 719 CG LEU A 656 -9.513 2.027 -2.886 1.00 0.19 C ATOM 720 CD1 LEU A 656 -10.708 2.955 -3.016 1.00 0.22 C ATOM 721 CD2 LEU A 656 -9.161 1.808 -1.425 1.00 0.19 C ATOM 0 H LEU A 656 -9.979 -0.702 -1.519 1.00 0.17 H new ATOM 0 HA LEU A 656 -11.895 0.694 -3.095 1.00 0.16 H new ATOM 0 HB2 LEU A 656 -8.949 0.028 -3.412 1.00 0.16 H new ATOM 0 HB3 LEU A 656 -9.829 0.878 -4.667 1.00 0.16 H new ATOM 0 HG LEU A 656 -8.655 2.495 -3.369 1.00 0.19 H new ATOM 0 HD11 LEU A 656 -10.495 3.896 -2.509 1.00 0.22 H new ATOM 0 HD12 LEU A 656 -10.906 3.148 -4.070 1.00 0.22 H new ATOM 0 HD13 LEU A 656 -11.582 2.488 -2.562 1.00 0.22 H new ATOM 0 HD21 LEU A 656 -8.969 2.770 -0.949 1.00 0.19 H new ATOM 0 HD22 LEU A 656 -9.991 1.313 -0.921 1.00 0.19 H new ATOM 0 HD23 LEU A 656 -8.270 1.184 -1.355 1.00 0.19 H new ATOM 733 N ASN A 657 -11.455 -0.567 -5.495 1.00 0.19 N ATOM 734 CA ASN A 657 -11.779 -1.389 -6.652 1.00 0.20 C ATOM 735 C ASN A 657 -10.510 -1.681 -7.454 1.00 0.19 C ATOM 736 O ASN A 657 -9.511 -0.990 -7.289 1.00 0.18 O ATOM 737 CB ASN A 657 -12.804 -0.660 -7.523 1.00 0.25 C ATOM 738 CG ASN A 657 -13.838 0.074 -6.692 1.00 0.67 C ATOM 739 OD1 ASN A 657 -14.938 -0.427 -6.459 1.00 1.76 O ATOM 740 ND2 ASN A 657 -13.479 1.266 -6.229 1.00 0.48 N ATOM 0 H ASN A 657 -11.235 0.402 -5.726 1.00 0.19 H new ATOM 0 HA ASN A 657 -12.205 -2.336 -6.319 1.00 0.20 H new ATOM 0 HB2 ASN A 657 -12.289 0.050 -8.171 1.00 0.25 H new ATOM 0 HB3 ASN A 657 -13.305 -1.379 -8.172 1.00 0.25 H new ATOM 0 HD21 ASN A 657 -14.126 1.806 -5.654 1.00 0.48 H new ATOM 0 HD22 ASN A 657 -12.556 1.641 -6.448 1.00 0.48 H new ATOM 747 N PRO A 658 -10.535 -2.685 -8.355 1.00 0.23 N ATOM 748 CA PRO A 658 -9.370 -3.073 -9.171 1.00 0.27 C ATOM 749 C PRO A 658 -8.626 -1.888 -9.793 1.00 0.26 C ATOM 750 O PRO A 658 -7.514 -2.044 -10.294 1.00 0.30 O ATOM 751 CB PRO A 658 -9.981 -3.954 -10.274 1.00 0.31 C ATOM 752 CG PRO A 658 -11.457 -3.781 -10.139 1.00 0.48 C ATOM 753 CD PRO A 658 -11.694 -3.519 -8.685 1.00 0.27 C ATOM 0 HA PRO A 658 -8.617 -3.571 -8.560 1.00 0.27 H new ATOM 0 HB2 PRO A 658 -9.637 -3.645 -11.261 1.00 0.31 H new ATOM 0 HB3 PRO A 658 -9.694 -4.998 -10.149 1.00 0.31 H new ATOM 0 HG2 PRO A 658 -11.813 -2.952 -10.751 1.00 0.48 H new ATOM 0 HG3 PRO A 658 -11.989 -4.673 -10.470 1.00 0.48 H new ATOM 0 HD2 PRO A 658 -12.637 -3.002 -8.508 1.00 0.27 H new ATOM 0 HD3 PRO A 658 -11.720 -4.438 -8.100 1.00 0.27 H new ATOM 761 N LYS A 659 -9.238 -0.707 -9.758 1.00 0.24 N ATOM 762 CA LYS A 659 -8.617 0.490 -10.317 1.00 0.26 C ATOM 763 C LYS A 659 -7.965 1.313 -9.210 1.00 0.24 C ATOM 764 O LYS A 659 -6.760 1.589 -9.243 1.00 0.25 O ATOM 765 CB LYS A 659 -9.659 1.333 -11.057 1.00 0.29 C ATOM 766 CG LYS A 659 -10.316 0.603 -12.218 1.00 1.19 C ATOM 767 CD LYS A 659 -11.356 1.470 -12.913 1.00 1.90 C ATOM 768 CE LYS A 659 -12.566 1.718 -12.025 1.00 2.45 C ATOM 769 NZ LYS A 659 -13.293 0.457 -11.711 1.00 2.98 N ATOM 0 H LYS A 659 -10.160 -0.554 -9.350 1.00 0.24 H new ATOM 0 HA LYS A 659 -7.848 0.184 -11.026 1.00 0.26 H new ATOM 0 HB2 LYS A 659 -10.429 1.645 -10.352 1.00 0.29 H new ATOM 0 HB3 LYS A 659 -9.183 2.239 -11.431 1.00 0.29 H new ATOM 0 HG2 LYS A 659 -9.554 0.303 -12.937 1.00 1.19 H new ATOM 0 HG3 LYS A 659 -10.788 -0.310 -11.854 1.00 1.19 H new ATOM 0 HD2 LYS A 659 -10.907 2.424 -13.192 1.00 1.90 H new ATOM 0 HD3 LYS A 659 -11.675 0.986 -13.836 1.00 1.90 H new ATOM 0 HE2 LYS A 659 -12.244 2.192 -11.098 1.00 2.45 H new ATOM 0 HE3 LYS A 659 -13.243 2.414 -12.520 1.00 2.45 H new ATOM 0 HZ1 LYS A 659 -14.233 0.684 -11.328 1.00 2.98 H new ATOM 0 HZ2 LYS A 659 -13.399 -0.108 -12.578 1.00 2.98 H new ATOM 0 HZ3 LYS A 659 -12.755 -0.088 -11.007 1.00 2.98 H new ATOM 783 N GLU A 660 -8.771 1.702 -8.230 1.00 0.23 N ATOM 784 CA GLU A 660 -8.284 2.480 -7.104 1.00 0.21 C ATOM 785 C GLU A 660 -7.213 1.712 -6.336 1.00 0.21 C ATOM 786 O GLU A 660 -6.389 2.304 -5.645 1.00 0.21 O ATOM 787 CB GLU A 660 -9.442 2.848 -6.179 1.00 0.23 C ATOM 788 CG GLU A 660 -10.383 3.879 -6.774 1.00 0.26 C ATOM 789 CD GLU A 660 -11.617 3.266 -7.404 1.00 1.11 C ATOM 790 OE1 GLU A 660 -11.467 2.384 -8.273 1.00 1.47 O ATOM 791 OE2 GLU A 660 -12.737 3.673 -7.027 1.00 1.61 O ATOM 0 H GLU A 660 -9.768 1.489 -8.195 1.00 0.23 H new ATOM 0 HA GLU A 660 -7.835 3.396 -7.488 1.00 0.21 H new ATOM 0 HB2 GLU A 660 -10.007 1.947 -5.939 1.00 0.23 H new ATOM 0 HB3 GLU A 660 -9.041 3.232 -5.241 1.00 0.23 H new ATOM 0 HG2 GLU A 660 -10.689 4.576 -5.994 1.00 0.26 H new ATOM 0 HG3 GLU A 660 -9.848 4.458 -7.527 1.00 0.26 H new ATOM 798 N ARG A 661 -7.232 0.388 -6.456 1.00 0.23 N ATOM 799 CA ARG A 661 -6.244 -0.449 -5.783 1.00 0.25 C ATOM 800 C ARG A 661 -4.887 -0.301 -6.462 1.00 0.23 C ATOM 801 O ARG A 661 -3.840 -0.489 -5.841 1.00 0.28 O ATOM 802 CB ARG A 661 -6.671 -1.917 -5.813 1.00 0.31 C ATOM 803 CG ARG A 661 -8.031 -2.178 -5.192 1.00 0.89 C ATOM 804 CD ARG A 661 -7.954 -2.293 -3.682 1.00 0.68 C ATOM 805 NE ARG A 661 -9.192 -2.824 -3.122 1.00 1.40 N ATOM 806 CZ ARG A 661 -9.614 -4.070 -3.317 1.00 1.87 C ATOM 807 NH1 ARG A 661 -8.880 -4.922 -4.020 1.00 2.10 N ATOM 808 NH2 ARG A 661 -10.769 -4.467 -2.805 1.00 2.77 N ATOM 0 H ARG A 661 -7.917 -0.126 -7.010 1.00 0.23 H new ATOM 0 HA ARG A 661 -6.170 -0.125 -4.745 1.00 0.25 H new ATOM 0 HB2 ARG A 661 -6.684 -2.260 -6.848 1.00 0.31 H new ATOM 0 HB3 ARG A 661 -5.924 -2.513 -5.289 1.00 0.31 H new ATOM 0 HG2 ARG A 661 -8.713 -1.371 -5.460 1.00 0.89 H new ATOM 0 HG3 ARG A 661 -8.448 -3.097 -5.605 1.00 0.89 H new ATOM 0 HD2 ARG A 661 -7.122 -2.941 -3.407 1.00 0.68 H new ATOM 0 HD3 ARG A 661 -7.750 -1.313 -3.251 1.00 0.68 H new ATOM 0 HE ARG A 661 -9.766 -2.205 -2.549 1.00 1.40 H new ATOM 0 HH11 ARG A 661 -7.988 -4.623 -4.414 1.00 2.10 H new ATOM 0 HH12 ARG A 661 -9.208 -5.877 -4.167 1.00 2.10 H new ATOM 0 HH21 ARG A 661 -11.336 -3.817 -2.261 1.00 2.77 H new ATOM 0 HH22 ARG A 661 -11.092 -5.423 -2.955 1.00 2.77 H new ATOM 822 N LYS A 662 -4.922 0.042 -7.745 1.00 0.21 N ATOM 823 CA LYS A 662 -3.710 0.212 -8.537 1.00 0.25 C ATOM 824 C LYS A 662 -3.032 1.543 -8.235 1.00 0.24 C ATOM 825 O LYS A 662 -1.807 1.616 -8.144 1.00 0.31 O ATOM 826 CB LYS A 662 -4.045 0.132 -10.027 1.00 0.28 C ATOM 827 CG LYS A 662 -2.826 0.130 -10.938 1.00 0.74 C ATOM 828 CD LYS A 662 -2.013 -1.148 -10.792 1.00 1.40 C ATOM 829 CE LYS A 662 -0.849 -0.967 -9.828 1.00 1.78 C ATOM 830 NZ LYS A 662 -0.090 -2.234 -9.631 1.00 2.56 N ATOM 0 H LYS A 662 -5.785 0.209 -8.262 1.00 0.21 H new ATOM 0 HA LYS A 662 -3.021 -0.590 -8.272 1.00 0.25 H new ATOM 0 HB2 LYS A 662 -4.624 -0.773 -10.210 1.00 0.28 H new ATOM 0 HB3 LYS A 662 -4.682 0.976 -10.291 1.00 0.28 H new ATOM 0 HG2 LYS A 662 -3.146 0.241 -11.974 1.00 0.74 H new ATOM 0 HG3 LYS A 662 -2.197 0.989 -10.705 1.00 0.74 H new ATOM 0 HD2 LYS A 662 -2.658 -1.951 -10.437 1.00 1.40 H new ATOM 0 HD3 LYS A 662 -1.634 -1.452 -11.768 1.00 1.40 H new ATOM 0 HE2 LYS A 662 -0.178 -0.197 -10.209 1.00 1.78 H new ATOM 0 HE3 LYS A 662 -1.224 -0.615 -8.867 1.00 1.78 H new ATOM 0 HZ1 LYS A 662 0.864 -2.016 -9.278 1.00 2.56 H new ATOM 0 HZ2 LYS A 662 -0.586 -2.832 -8.940 1.00 2.56 H new ATOM 0 HZ3 LYS A 662 -0.017 -2.739 -10.537 1.00 2.56 H new ATOM 844 N GLN A 663 -3.833 2.592 -8.083 1.00 0.21 N ATOM 845 CA GLN A 663 -3.301 3.917 -7.802 1.00 0.23 C ATOM 846 C GLN A 663 -2.706 3.978 -6.404 1.00 0.16 C ATOM 847 O GLN A 663 -1.657 4.574 -6.204 1.00 0.21 O ATOM 848 CB GLN A 663 -4.393 4.981 -7.959 1.00 0.33 C ATOM 849 CG GLN A 663 -5.497 4.878 -6.921 1.00 0.62 C ATOM 850 CD GLN A 663 -6.580 5.922 -7.106 1.00 0.57 C ATOM 851 OE1 GLN A 663 -6.336 7.002 -7.644 1.00 1.12 O ATOM 852 NE2 GLN A 663 -7.786 5.607 -6.646 1.00 0.48 N ATOM 0 H GLN A 663 -4.850 2.549 -8.150 1.00 0.21 H new ATOM 0 HA GLN A 663 -2.508 4.120 -8.522 1.00 0.23 H new ATOM 0 HB2 GLN A 663 -3.937 5.969 -7.896 1.00 0.33 H new ATOM 0 HB3 GLN A 663 -4.832 4.895 -8.953 1.00 0.33 H new ATOM 0 HG2 GLN A 663 -5.944 3.885 -6.971 1.00 0.62 H new ATOM 0 HG3 GLN A 663 -5.064 4.983 -5.926 1.00 0.62 H new ATOM 0 HE21 GLN A 663 -7.943 4.700 -6.207 1.00 0.48 H new ATOM 0 HE22 GLN A 663 -8.554 6.272 -6.732 1.00 0.48 H new ATOM 861 N VAL A 664 -3.376 3.351 -5.442 1.00 0.15 N ATOM 862 CA VAL A 664 -2.901 3.345 -4.064 1.00 0.13 C ATOM 863 C VAL A 664 -1.599 2.564 -3.928 1.00 0.11 C ATOM 864 O VAL A 664 -0.654 3.028 -3.295 1.00 0.16 O ATOM 865 CB VAL A 664 -3.945 2.750 -3.104 1.00 0.19 C ATOM 866 CG1 VAL A 664 -3.416 2.766 -1.683 1.00 0.35 C ATOM 867 CG2 VAL A 664 -5.252 3.518 -3.195 1.00 0.16 C ATOM 0 H VAL A 664 -4.247 2.842 -5.591 1.00 0.15 H new ATOM 0 HA VAL A 664 -2.726 4.386 -3.794 1.00 0.13 H new ATOM 0 HB VAL A 664 -4.136 1.717 -3.394 1.00 0.19 H new ATOM 0 HG11 VAL A 664 -4.163 2.343 -1.012 1.00 0.35 H new ATOM 0 HG12 VAL A 664 -2.502 2.174 -1.628 1.00 0.35 H new ATOM 0 HG13 VAL A 664 -3.202 3.793 -1.386 1.00 0.35 H new ATOM 0 HG21 VAL A 664 -5.978 3.083 -2.509 1.00 0.16 H new ATOM 0 HG22 VAL A 664 -5.081 4.561 -2.928 1.00 0.16 H new ATOM 0 HG23 VAL A 664 -5.636 3.463 -4.213 1.00 0.16 H new ATOM 877 N PHE A 665 -1.558 1.379 -4.522 1.00 0.17 N ATOM 878 CA PHE A 665 -0.371 0.532 -4.462 1.00 0.19 C ATOM 879 C PHE A 665 0.792 1.158 -5.227 1.00 0.17 C ATOM 880 O PHE A 665 1.930 1.119 -4.770 1.00 0.20 O ATOM 881 CB PHE A 665 -0.694 -0.854 -5.018 1.00 0.26 C ATOM 882 CG PHE A 665 0.514 -1.729 -5.235 1.00 0.34 C ATOM 883 CD1 PHE A 665 1.206 -2.258 -4.158 1.00 0.44 C ATOM 884 CD2 PHE A 665 0.953 -2.024 -6.517 1.00 0.48 C ATOM 885 CE1 PHE A 665 2.313 -3.063 -4.354 1.00 0.61 C ATOM 886 CE2 PHE A 665 2.057 -2.828 -6.719 1.00 0.65 C ATOM 887 CZ PHE A 665 2.739 -3.348 -5.636 1.00 0.71 C ATOM 0 H PHE A 665 -2.333 0.981 -5.052 1.00 0.17 H new ATOM 0 HA PHE A 665 -0.069 0.436 -3.419 1.00 0.19 H new ATOM 0 HB2 PHE A 665 -1.376 -1.358 -4.333 1.00 0.26 H new ATOM 0 HB3 PHE A 665 -1.221 -0.740 -5.965 1.00 0.26 H new ATOM 0 HD1 PHE A 665 0.877 -2.039 -3.153 1.00 0.44 H new ATOM 0 HD2 PHE A 665 0.425 -1.620 -7.368 1.00 0.48 H new ATOM 0 HE1 PHE A 665 2.844 -3.468 -3.505 1.00 0.61 H new ATOM 0 HE2 PHE A 665 2.387 -3.050 -7.723 1.00 0.65 H new ATOM 0 HZ PHE A 665 3.604 -3.976 -5.792 1.00 0.71 H new ATOM 897 N ASP A 666 0.503 1.740 -6.386 1.00 0.19 N ATOM 898 CA ASP A 666 1.543 2.367 -7.197 1.00 0.19 C ATOM 899 C ASP A 666 2.042 3.640 -6.526 1.00 0.18 C ATOM 900 O ASP A 666 3.237 3.936 -6.531 1.00 0.29 O ATOM 901 CB ASP A 666 1.012 2.686 -8.595 1.00 0.22 C ATOM 902 CG ASP A 666 2.075 3.285 -9.493 1.00 0.91 C ATOM 903 OD1 ASP A 666 2.820 2.509 -10.128 1.00 0.98 O ATOM 904 OD2 ASP A 666 2.164 4.528 -9.562 1.00 1.85 O ATOM 0 H ASP A 666 -0.435 1.791 -6.784 1.00 0.19 H new ATOM 0 HA ASP A 666 2.374 1.668 -7.290 1.00 0.19 H new ATOM 0 HB2 ASP A 666 0.626 1.774 -9.051 1.00 0.22 H new ATOM 0 HB3 ASP A 666 0.176 3.380 -8.514 1.00 0.22 H new ATOM 909 N GLN A 667 1.111 4.384 -5.943 1.00 0.16 N ATOM 910 CA GLN A 667 1.426 5.628 -5.258 1.00 0.14 C ATOM 911 C GLN A 667 2.136 5.347 -3.942 1.00 0.13 C ATOM 912 O GLN A 667 2.917 6.166 -3.458 1.00 0.15 O ATOM 913 CB GLN A 667 0.142 6.423 -5.013 1.00 0.15 C ATOM 914 CG GLN A 667 -0.217 7.359 -6.148 1.00 0.20 C ATOM 915 CD GLN A 667 0.692 8.571 -6.219 1.00 0.29 C ATOM 916 OE1 GLN A 667 1.725 8.550 -6.888 1.00 1.05 O ATOM 917 NE2 GLN A 667 0.312 9.638 -5.525 1.00 1.16 N ATOM 0 H GLN A 667 0.120 4.142 -5.932 1.00 0.16 H new ATOM 0 HA GLN A 667 2.094 6.218 -5.886 1.00 0.14 H new ATOM 0 HB2 GLN A 667 -0.681 5.727 -4.853 1.00 0.15 H new ATOM 0 HB3 GLN A 667 0.253 7.002 -4.096 1.00 0.15 H new ATOM 0 HG2 GLN A 667 -0.165 6.816 -7.091 1.00 0.20 H new ATOM 0 HG3 GLN A 667 -1.248 7.690 -6.027 1.00 0.20 H new ATOM 0 HE21 GLN A 667 -0.552 9.613 -4.983 1.00 1.16 H new ATOM 0 HE22 GLN A 667 0.884 10.482 -5.534 1.00 1.16 H new ATOM 926 N TYR A 668 1.868 4.173 -3.378 1.00 0.13 N ATOM 927 CA TYR A 668 2.473 3.771 -2.122 1.00 0.14 C ATOM 928 C TYR A 668 3.908 3.340 -2.356 1.00 0.14 C ATOM 929 O TYR A 668 4.840 3.926 -1.817 1.00 0.17 O ATOM 930 CB TYR A 668 1.680 2.620 -1.502 1.00 0.17 C ATOM 931 CG TYR A 668 2.395 1.930 -0.365 1.00 0.20 C ATOM 932 CD1 TYR A 668 2.307 2.409 0.934 1.00 0.35 C ATOM 933 CD2 TYR A 668 3.163 0.799 -0.598 1.00 0.27 C ATOM 934 CE1 TYR A 668 2.965 1.777 1.971 1.00 0.39 C ATOM 935 CE2 TYR A 668 3.823 0.162 0.430 1.00 0.30 C ATOM 936 CZ TYR A 668 3.723 0.654 1.714 1.00 0.30 C ATOM 937 OH TYR A 668 4.383 0.021 2.742 1.00 0.36 O ATOM 0 H TYR A 668 1.232 3.483 -3.777 1.00 0.13 H new ATOM 0 HA TYR A 668 2.461 4.619 -1.437 1.00 0.14 H new ATOM 0 HB2 TYR A 668 0.726 3.002 -1.140 1.00 0.17 H new ATOM 0 HB3 TYR A 668 1.456 1.887 -2.277 1.00 0.17 H new ATOM 0 HD1 TYR A 668 1.715 3.289 1.137 1.00 0.35 H new ATOM 0 HD2 TYR A 668 3.245 0.411 -1.603 1.00 0.27 H new ATOM 0 HE1 TYR A 668 2.886 2.160 2.978 1.00 0.39 H new ATOM 0 HE2 TYR A 668 4.416 -0.719 0.231 1.00 0.30 H new ATOM 0 HH TYR A 668 4.870 -0.753 2.390 1.00 0.36 H new ATOM 947 N VAL A 669 4.071 2.309 -3.173 1.00 0.14 N ATOM 948 CA VAL A 669 5.387 1.786 -3.491 1.00 0.16 C ATOM 949 C VAL A 669 6.317 2.889 -3.965 1.00 0.16 C ATOM 950 O VAL A 669 7.519 2.851 -3.722 1.00 0.21 O ATOM 951 CB VAL A 669 5.310 0.712 -4.587 1.00 0.18 C ATOM 952 CG1 VAL A 669 4.405 -0.429 -4.154 1.00 0.22 C ATOM 953 CG2 VAL A 669 4.836 1.322 -5.901 1.00 0.18 C ATOM 0 H VAL A 669 3.302 1.818 -3.629 1.00 0.14 H new ATOM 0 HA VAL A 669 5.779 1.345 -2.574 1.00 0.16 H new ATOM 0 HB VAL A 669 6.309 0.306 -4.746 1.00 0.18 H new ATOM 0 HG11 VAL A 669 4.363 -1.180 -4.943 1.00 0.22 H new ATOM 0 HG12 VAL A 669 4.799 -0.881 -3.244 1.00 0.22 H new ATOM 0 HG13 VAL A 669 3.402 -0.046 -3.964 1.00 0.22 H new ATOM 0 HG21 VAL A 669 4.788 0.547 -6.666 1.00 0.18 H new ATOM 0 HG22 VAL A 669 3.847 1.758 -5.764 1.00 0.18 H new ATOM 0 HG23 VAL A 669 5.534 2.098 -6.215 1.00 0.18 H new ATOM 963 N LYS A 670 5.747 3.871 -4.643 1.00 0.15 N ATOM 964 CA LYS A 670 6.521 4.974 -5.178 1.00 0.17 C ATOM 965 C LYS A 670 7.076 5.873 -4.074 1.00 0.18 C ATOM 966 O LYS A 670 8.285 5.897 -3.833 1.00 0.23 O ATOM 967 CB LYS A 670 5.659 5.791 -6.138 1.00 0.20 C ATOM 968 CG LYS A 670 6.453 6.772 -6.974 1.00 0.73 C ATOM 969 CD LYS A 670 5.559 7.854 -7.556 1.00 1.01 C ATOM 970 CE LYS A 670 4.706 7.318 -8.694 1.00 1.79 C ATOM 971 NZ LYS A 670 3.786 8.356 -9.235 1.00 2.41 N ATOM 0 H LYS A 670 4.747 3.925 -4.836 1.00 0.15 H new ATOM 0 HA LYS A 670 7.372 4.554 -5.714 1.00 0.17 H new ATOM 0 HB2 LYS A 670 5.123 5.112 -6.800 1.00 0.20 H new ATOM 0 HB3 LYS A 670 4.909 6.337 -5.566 1.00 0.20 H new ATOM 0 HG2 LYS A 670 7.229 7.230 -6.361 1.00 0.73 H new ATOM 0 HG3 LYS A 670 6.956 6.240 -7.781 1.00 0.73 H new ATOM 0 HD2 LYS A 670 4.914 8.255 -6.774 1.00 1.01 H new ATOM 0 HD3 LYS A 670 6.173 8.679 -7.917 1.00 1.01 H new ATOM 0 HE2 LYS A 670 5.353 6.955 -9.492 1.00 1.79 H new ATOM 0 HE3 LYS A 670 4.125 6.466 -8.342 1.00 1.79 H new ATOM 0 HZ1 LYS A 670 3.386 8.029 -10.137 1.00 2.41 H new ATOM 0 HZ2 LYS A 670 3.017 8.526 -8.556 1.00 2.41 H new ATOM 0 HZ3 LYS A 670 4.312 9.240 -9.390 1.00 2.41 H new ATOM 985 N THR A 671 6.191 6.603 -3.398 1.00 0.17 N ATOM 986 CA THR A 671 6.616 7.520 -2.339 1.00 0.21 C ATOM 987 C THR A 671 7.272 6.787 -1.169 1.00 0.23 C ATOM 988 O THR A 671 8.323 7.205 -0.679 1.00 0.31 O ATOM 989 CB THR A 671 5.440 8.370 -1.818 1.00 0.24 C ATOM 990 OG1 THR A 671 5.909 9.307 -0.841 1.00 0.31 O ATOM 991 CG2 THR A 671 4.357 7.495 -1.205 1.00 0.23 C ATOM 0 H THR A 671 5.184 6.579 -3.561 1.00 0.17 H new ATOM 0 HA THR A 671 7.357 8.179 -2.791 1.00 0.21 H new ATOM 0 HB THR A 671 5.011 8.906 -2.665 1.00 0.24 H new ATOM 0 HG1 THR A 671 5.157 9.844 -0.516 1.00 0.31 H new ATOM 0 HG21 THR A 671 3.541 8.123 -0.847 1.00 0.23 H new ATOM 0 HG22 THR A 671 3.979 6.803 -1.958 1.00 0.23 H new ATOM 0 HG23 THR A 671 4.774 6.931 -0.371 1.00 0.23 H new ATOM 999 N ARG A 672 6.654 5.697 -0.726 1.00 0.25 N ATOM 1000 CA ARG A 672 7.180 4.922 0.393 1.00 0.31 C ATOM 1001 C ARG A 672 8.614 4.476 0.132 1.00 0.32 C ATOM 1002 O ARG A 672 9.500 4.718 0.951 1.00 0.43 O ATOM 1003 CB ARG A 672 6.299 3.702 0.667 1.00 0.33 C ATOM 1004 CG ARG A 672 6.696 2.932 1.918 1.00 0.41 C ATOM 1005 CD ARG A 672 6.470 3.756 3.176 1.00 0.65 C ATOM 1006 NE ARG A 672 5.072 4.146 3.330 1.00 1.58 N ATOM 1007 CZ ARG A 672 4.681 5.263 3.936 1.00 2.28 C ATOM 1008 NH1 ARG A 672 5.579 6.100 4.438 1.00 2.40 N ATOM 1009 NH2 ARG A 672 3.389 5.545 4.038 1.00 3.34 N ATOM 0 H ARG A 672 5.789 5.330 -1.124 1.00 0.25 H new ATOM 0 HA ARG A 672 7.175 5.569 1.271 1.00 0.31 H new ATOM 0 HB2 ARG A 672 5.263 4.027 0.764 1.00 0.33 H new ATOM 0 HB3 ARG A 672 6.344 3.032 -0.191 1.00 0.33 H new ATOM 0 HG2 ARG A 672 6.118 2.010 1.977 1.00 0.41 H new ATOM 0 HG3 ARG A 672 7.746 2.647 1.853 1.00 0.41 H new ATOM 0 HD2 ARG A 672 6.784 3.181 4.047 1.00 0.65 H new ATOM 0 HD3 ARG A 672 7.094 4.649 3.141 1.00 0.65 H new ATOM 0 HE ARG A 672 4.355 3.527 2.952 1.00 1.58 H new ATOM 0 HH11 ARG A 672 6.574 5.888 4.360 1.00 2.40 H new ATOM 0 HH12 ARG A 672 5.275 6.956 4.902 1.00 2.40 H new ATOM 0 HH21 ARG A 672 2.695 4.905 3.652 1.00 3.34 H new ATOM 0 HH22 ARG A 672 3.089 6.402 4.503 1.00 3.34 H new ATOM 1023 N ALA A 673 8.840 3.821 -1.006 1.00 0.28 N ATOM 1024 CA ALA A 673 10.175 3.347 -1.358 1.00 0.33 C ATOM 1025 C ALA A 673 11.203 4.461 -1.226 1.00 0.40 C ATOM 1026 O ALA A 673 12.225 4.294 -0.564 1.00 0.56 O ATOM 1027 CB ALA A 673 10.193 2.786 -2.771 1.00 0.35 C ATOM 0 H ALA A 673 8.119 3.608 -1.696 1.00 0.28 H new ATOM 0 HA ALA A 673 10.438 2.551 -0.662 1.00 0.33 H new ATOM 0 HB1 ALA A 673 11.198 2.439 -3.012 1.00 0.35 H new ATOM 0 HB2 ALA A 673 9.495 1.952 -2.840 1.00 0.35 H new ATOM 0 HB3 ALA A 673 9.900 3.564 -3.475 1.00 0.35 H new ATOM 1033 N GLU A 674 10.921 5.599 -1.851 1.00 0.35 N ATOM 1034 CA GLU A 674 11.826 6.743 -1.806 1.00 0.43 C ATOM 1035 C GLU A 674 12.231 7.075 -0.370 1.00 0.48 C ATOM 1036 O GLU A 674 13.384 7.417 -0.104 1.00 0.60 O ATOM 1037 CB GLU A 674 11.168 7.964 -2.454 1.00 0.47 C ATOM 1038 CG GLU A 674 10.961 7.821 -3.953 1.00 0.58 C ATOM 1039 CD GLU A 674 12.259 7.592 -4.703 1.00 0.71 C ATOM 1040 OE1 GLU A 674 12.953 8.586 -5.003 1.00 0.83 O ATOM 1041 OE2 GLU A 674 12.580 6.421 -4.989 1.00 0.77 O ATOM 0 H GLU A 674 10.072 5.754 -2.395 1.00 0.35 H new ATOM 0 HA GLU A 674 12.725 6.478 -2.362 1.00 0.43 H new ATOM 0 HB2 GLU A 674 10.204 8.142 -1.978 1.00 0.47 H new ATOM 0 HB3 GLU A 674 11.784 8.842 -2.263 1.00 0.47 H new ATOM 0 HG2 GLU A 674 10.284 6.989 -4.144 1.00 0.58 H new ATOM 0 HG3 GLU A 674 10.478 8.720 -4.336 1.00 0.58 H new ATOM 1048 N GLU A 675 11.278 6.963 0.552 1.00 0.49 N ATOM 1049 CA GLU A 675 11.534 7.263 1.958 1.00 0.59 C ATOM 1050 C GLU A 675 12.333 6.153 2.642 1.00 0.59 C ATOM 1051 O GLU A 675 13.462 6.369 3.082 1.00 0.66 O ATOM 1052 CB GLU A 675 10.214 7.479 2.701 1.00 0.65 C ATOM 1053 CG GLU A 675 9.341 8.564 2.092 1.00 0.94 C ATOM 1054 CD GLU A 675 10.009 9.925 2.101 1.00 1.50 C ATOM 1055 OE1 GLU A 675 9.929 10.618 3.138 1.00 1.56 O ATOM 1056 OE2 GLU A 675 10.612 10.297 1.074 1.00 1.96 O ATOM 0 H GLU A 675 10.323 6.667 0.351 1.00 0.49 H new ATOM 0 HA GLU A 675 12.129 8.175 1.993 1.00 0.59 H new ATOM 0 HB2 GLU A 675 9.657 6.542 2.715 1.00 0.65 H new ATOM 0 HB3 GLU A 675 10.429 7.737 3.738 1.00 0.65 H new ATOM 0 HG2 GLU A 675 9.093 8.292 1.066 1.00 0.94 H new ATOM 0 HG3 GLU A 675 8.402 8.621 2.642 1.00 0.94 H new ATOM 1063 N GLU A 676 11.740 4.966 2.726 1.00 0.57 N ATOM 1064 CA GLU A 676 12.383 3.825 3.376 1.00 0.61 C ATOM 1065 C GLU A 676 13.720 3.467 2.728 1.00 0.59 C ATOM 1066 O GLU A 676 14.475 2.661 3.267 1.00 0.72 O ATOM 1067 CB GLU A 676 11.455 2.609 3.358 1.00 0.69 C ATOM 1068 CG GLU A 676 11.158 2.083 1.970 1.00 0.93 C ATOM 1069 CD GLU A 676 10.283 0.846 1.992 1.00 1.87 C ATOM 1070 OE1 GLU A 676 10.766 -0.217 2.435 1.00 1.96 O ATOM 1071 OE2 GLU A 676 9.112 0.939 1.566 1.00 2.77 O ATOM 0 H GLU A 676 10.812 4.767 2.351 1.00 0.57 H new ATOM 0 HA GLU A 676 12.584 4.116 4.407 1.00 0.61 H new ATOM 0 HB2 GLU A 676 11.906 1.812 3.949 1.00 0.69 H new ATOM 0 HB3 GLU A 676 10.516 2.874 3.844 1.00 0.69 H new ATOM 0 HG2 GLU A 676 10.666 2.862 1.388 1.00 0.93 H new ATOM 0 HG3 GLU A 676 12.096 1.852 1.464 1.00 0.93 H new ATOM 1078 N ARG A 677 14.013 4.061 1.574 1.00 0.64 N ATOM 1079 CA ARG A 677 15.267 3.785 0.877 1.00 0.63 C ATOM 1080 C ARG A 677 16.308 4.860 1.180 1.00 0.72 C ATOM 1081 O ARG A 677 17.502 4.572 1.262 1.00 0.82 O ATOM 1082 CB ARG A 677 15.031 3.683 -0.634 1.00 0.62 C ATOM 1083 CG ARG A 677 16.247 3.215 -1.418 1.00 0.66 C ATOM 1084 CD ARG A 677 17.088 4.384 -1.908 1.00 1.42 C ATOM 1085 NE ARG A 677 18.291 3.938 -2.604 1.00 1.87 N ATOM 1086 CZ ARG A 677 19.047 4.731 -3.359 1.00 2.84 C ATOM 1087 NH1 ARG A 677 18.715 6.004 -3.528 1.00 3.52 N ATOM 1088 NH2 ARG A 677 20.132 4.249 -3.948 1.00 3.48 N ATOM 0 H ARG A 677 13.405 4.732 1.104 1.00 0.64 H new ATOM 0 HA ARG A 677 15.649 2.829 1.236 1.00 0.63 H new ATOM 0 HB2 ARG A 677 14.206 2.995 -0.817 1.00 0.62 H new ATOM 0 HB3 ARG A 677 14.722 4.658 -1.010 1.00 0.62 H new ATOM 0 HG2 ARG A 677 16.857 2.567 -0.789 1.00 0.66 H new ATOM 0 HG3 ARG A 677 15.922 2.618 -2.270 1.00 0.66 H new ATOM 0 HD2 ARG A 677 16.491 5.005 -2.577 1.00 1.42 H new ATOM 0 HD3 ARG A 677 17.370 5.008 -1.060 1.00 1.42 H new ATOM 0 HE ARG A 677 18.568 2.961 -2.506 1.00 1.87 H new ATOM 0 HH11 ARG A 677 17.879 6.377 -3.079 1.00 3.52 H new ATOM 0 HH12 ARG A 677 19.296 6.610 -4.107 1.00 3.52 H new ATOM 0 HH21 ARG A 677 20.388 3.270 -3.823 1.00 3.48 H new ATOM 0 HH22 ARG A 677 20.711 4.857 -4.527 1.00 3.48 H new ATOM 1102 N ARG A 678 15.850 6.099 1.348 1.00 0.73 N ATOM 1103 CA ARG A 678 16.751 7.211 1.641 1.00 0.83 C ATOM 1104 C ARG A 678 17.125 7.248 3.122 1.00 0.95 C ATOM 1105 O ARG A 678 18.054 7.953 3.515 1.00 1.10 O ATOM 1106 CB ARG A 678 16.104 8.541 1.244 1.00 0.80 C ATOM 1107 CG ARG A 678 14.910 8.921 2.108 1.00 0.77 C ATOM 1108 CD ARG A 678 14.446 10.341 1.827 1.00 0.88 C ATOM 1109 NE ARG A 678 13.355 10.744 2.711 1.00 1.64 N ATOM 1110 CZ ARG A 678 13.098 12.007 3.038 1.00 2.10 C ATOM 1111 NH1 ARG A 678 13.852 12.988 2.557 1.00 1.83 N ATOM 1112 NH2 ARG A 678 12.085 12.293 3.846 1.00 3.13 N ATOM 0 H ARG A 678 14.865 6.357 1.287 1.00 0.73 H new ATOM 0 HA ARG A 678 17.660 7.061 1.058 1.00 0.83 H new ATOM 0 HB2 ARG A 678 16.852 9.332 1.305 1.00 0.80 H new ATOM 0 HB3 ARG A 678 15.785 8.484 0.203 1.00 0.80 H new ATOM 0 HG2 ARG A 678 14.091 8.226 1.923 1.00 0.77 H new ATOM 0 HG3 ARG A 678 15.177 8.826 3.161 1.00 0.77 H new ATOM 0 HD2 ARG A 678 15.284 11.027 1.949 1.00 0.88 H new ATOM 0 HD3 ARG A 678 14.120 10.417 0.790 1.00 0.88 H new ATOM 0 HE ARG A 678 12.756 10.015 3.099 1.00 1.64 H new ATOM 0 HH11 ARG A 678 14.631 12.774 1.935 1.00 1.83 H new ATOM 0 HH12 ARG A 678 13.652 13.956 2.810 1.00 1.83 H new ATOM 0 HH21 ARG A 678 11.502 11.543 4.218 1.00 3.13 H new ATOM 0 HH22 ARG A 678 11.890 13.263 4.096 1.00 3.13 H new ATOM 1126 N GLU A 679 16.400 6.488 3.937 1.00 0.93 N ATOM 1127 CA GLU A 679 16.655 6.451 5.374 1.00 1.07 C ATOM 1128 C GLU A 679 17.690 5.391 5.740 1.00 1.14 C ATOM 1129 O GLU A 679 18.144 5.330 6.883 1.00 1.37 O ATOM 1130 CB GLU A 679 15.354 6.189 6.136 1.00 1.10 C ATOM 1131 CG GLU A 679 14.340 7.313 6.011 1.00 1.13 C ATOM 1132 CD GLU A 679 13.081 7.055 6.817 1.00 2.03 C ATOM 1133 OE1 GLU A 679 13.066 7.393 8.020 1.00 2.10 O ATOM 1134 OE2 GLU A 679 12.111 6.517 6.244 1.00 2.90 O ATOM 0 H GLU A 679 15.633 5.891 3.628 1.00 0.93 H new ATOM 0 HA GLU A 679 17.056 7.424 5.659 1.00 1.07 H new ATOM 0 HB2 GLU A 679 14.907 5.265 5.769 1.00 1.10 H new ATOM 0 HB3 GLU A 679 15.585 6.034 7.190 1.00 1.10 H new ATOM 0 HG2 GLU A 679 14.795 8.246 6.343 1.00 1.13 H new ATOM 0 HG3 GLU A 679 14.075 7.443 4.962 1.00 1.13 H new ATOM 1141 N LYS A 680 18.063 4.558 4.773 1.00 1.20 N ATOM 1142 CA LYS A 680 19.044 3.506 5.017 1.00 1.38 C ATOM 1143 C LYS A 680 20.181 3.548 4.000 1.00 1.63 C ATOM 1144 O LYS A 680 21.344 3.722 4.368 1.00 2.24 O ATOM 1145 CB LYS A 680 18.372 2.139 4.995 1.00 1.77 C ATOM 1146 CG LYS A 680 17.374 1.977 3.870 1.00 2.33 C ATOM 1147 CD LYS A 680 16.758 0.594 3.871 1.00 2.92 C ATOM 1148 CE LYS A 680 15.915 0.347 5.112 1.00 3.92 C ATOM 1149 NZ LYS A 680 15.335 -1.024 5.126 1.00 4.37 N ATOM 0 H LYS A 680 17.703 4.590 3.819 1.00 1.20 H new ATOM 0 HA LYS A 680 19.473 3.679 6.004 1.00 1.38 H new ATOM 0 HB2 LYS A 680 19.137 1.368 4.906 1.00 1.77 H new ATOM 0 HB3 LYS A 680 17.865 1.976 5.946 1.00 1.77 H new ATOM 0 HG2 LYS A 680 16.589 2.727 3.968 1.00 2.33 H new ATOM 0 HG3 LYS A 680 17.868 2.156 2.915 1.00 2.33 H new ATOM 0 HD2 LYS A 680 16.139 0.472 2.982 1.00 2.92 H new ATOM 0 HD3 LYS A 680 17.548 -0.155 3.814 1.00 2.92 H new ATOM 0 HE2 LYS A 680 16.528 0.491 6.002 1.00 3.92 H new ATOM 0 HE3 LYS A 680 15.111 1.082 5.157 1.00 3.92 H new ATOM 0 HZ1 LYS A 680 14.768 -1.152 5.988 1.00 4.37 H new ATOM 0 HZ2 LYS A 680 14.729 -1.153 4.290 1.00 4.37 H new ATOM 0 HZ3 LYS A 680 16.102 -1.726 5.109 1.00 4.37 H new ATOM 1163 N LYS A 681 19.842 3.389 2.723 1.00 1.65 N ATOM 1164 CA LYS A 681 20.837 3.398 1.655 1.00 2.14 C ATOM 1165 C LYS A 681 21.880 2.305 1.872 1.00 2.96 C ATOM 1166 O LYS A 681 21.779 1.513 2.811 1.00 3.54 O ATOM 1167 CB LYS A 681 21.527 4.761 1.569 1.00 2.38 C ATOM 1168 CG LYS A 681 20.598 5.897 1.171 1.00 3.10 C ATOM 1169 CD LYS A 681 21.354 7.211 1.048 1.00 3.67 C ATOM 1170 CE LYS A 681 20.448 8.336 0.576 1.00 4.60 C ATOM 1171 NZ LYS A 681 21.195 9.612 0.399 1.00 5.45 N ATOM 0 H LYS A 681 18.883 3.252 2.403 1.00 1.65 H new ATOM 0 HA LYS A 681 20.317 3.205 0.717 1.00 2.14 H new ATOM 0 HB2 LYS A 681 21.975 4.992 2.535 1.00 2.38 H new ATOM 0 HB3 LYS A 681 22.341 4.700 0.847 1.00 2.38 H new ATOM 0 HG2 LYS A 681 20.117 5.661 0.222 1.00 3.10 H new ATOM 0 HG3 LYS A 681 19.806 5.999 1.913 1.00 3.10 H new ATOM 0 HD2 LYS A 681 21.788 7.473 2.013 1.00 3.67 H new ATOM 0 HD3 LYS A 681 22.181 7.091 0.348 1.00 3.67 H new ATOM 0 HE2 LYS A 681 19.981 8.055 -0.368 1.00 4.60 H new ATOM 0 HE3 LYS A 681 19.645 8.483 1.298 1.00 4.60 H new ATOM 0 HZ1 LYS A 681 20.542 10.355 0.076 1.00 5.45 H new ATOM 0 HZ2 LYS A 681 21.620 9.894 1.305 1.00 5.45 H new ATOM 0 HZ3 LYS A 681 21.946 9.480 -0.309 1.00 5.45 H new ATOM 1185 N ASN A 682 22.882 2.263 1.000 1.00 3.56 N ATOM 1186 CA ASN A 682 23.941 1.265 1.105 1.00 4.66 C ATOM 1187 C ASN A 682 24.889 1.603 2.252 1.00 5.24 C ATOM 1188 O ASN A 682 25.230 0.742 3.064 1.00 5.77 O ATOM 1189 CB ASN A 682 24.720 1.172 -0.209 1.00 5.26 C ATOM 1190 CG ASN A 682 25.880 0.198 -0.124 1.00 6.16 C ATOM 1191 OD1 ASN A 682 27.002 0.580 0.206 1.00 6.51 O ATOM 1192 ND2 ASN A 682 25.613 -1.068 -0.424 1.00 6.85 N ATOM 0 H ASN A 682 22.983 2.906 0.215 1.00 3.56 H new ATOM 0 HA ASN A 682 23.479 0.299 1.310 1.00 4.66 H new ATOM 0 HB2 ASN A 682 24.046 0.861 -1.007 1.00 5.26 H new ATOM 0 HB3 ASN A 682 25.097 2.159 -0.476 1.00 5.26 H new ATOM 0 HD21 ASN A 682 26.354 -1.768 -0.386 1.00 6.85 H new ATOM 0 HD22 ASN A 682 24.667 -1.340 -0.693 1.00 6.85 H new ATOM 1199 N LYS A 683 25.308 2.864 2.311 1.00 5.54 N ATOM 1200 CA LYS A 683 26.218 3.323 3.356 1.00 6.43 C ATOM 1201 C LYS A 683 25.574 3.194 4.733 1.00 6.62 C ATOM 1202 O LYS A 683 24.867 4.137 5.147 1.00 6.86 O ATOM 1203 CB LYS A 683 26.624 4.775 3.102 1.00 7.01 C ATOM 1204 CG LYS A 683 27.322 4.988 1.769 1.00 7.90 C ATOM 1205 CD LYS A 683 27.612 6.459 1.520 1.00 8.52 C ATOM 1206 CE LYS A 683 28.321 6.671 0.192 1.00 9.20 C ATOM 1207 NZ LYS A 683 27.533 6.132 -0.950 1.00 9.84 N ATOM 1208 OXT LYS A 683 25.783 2.151 5.387 1.00 6.86 O ATOM 0 H LYS A 683 25.031 3.587 1.647 1.00 5.54 H new ATOM 0 HA LYS A 683 27.108 2.694 3.333 1.00 6.43 H new ATOM 0 HB2 LYS A 683 25.735 5.404 3.141 1.00 7.01 H new ATOM 0 HB3 LYS A 683 27.284 5.105 3.905 1.00 7.01 H new ATOM 0 HG2 LYS A 683 28.255 4.424 1.752 1.00 7.90 H new ATOM 0 HG3 LYS A 683 26.699 4.598 0.964 1.00 7.90 H new ATOM 0 HD2 LYS A 683 26.678 7.021 1.529 1.00 8.52 H new ATOM 0 HD3 LYS A 683 28.228 6.851 2.329 1.00 8.52 H new ATOM 0 HE2 LYS A 683 28.498 7.736 0.041 1.00 9.20 H new ATOM 0 HE3 LYS A 683 29.297 6.187 0.220 1.00 9.20 H new ATOM 0 HZ1 LYS A 683 27.921 6.497 -1.843 1.00 9.84 H new ATOM 0 HZ2 LYS A 683 27.586 5.093 -0.949 1.00 9.84 H new ATOM 0 HZ3 LYS A 683 26.540 6.428 -0.857 1.00 9.84 H new TER 1222 LYS A 683