USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 448 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 658 GLN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 1.2: A 668 GLN :FLIP amide:sc= -1.34 F(o=-5.6!,f=-1.3) USER MOD Set 2.1: A 649 GLN : amide:sc= 0.719 K(o=0.72,f=0) USER MOD Set 2.2: A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 635 THR OG1 : rot -86:sc= -3.29! USER MOD Set 3.2: A 667 ASN : amide:sc= -9.05! C(o=-12!,f=-16!) USER MOD Single : A 631 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 641 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= 0 USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 677 ASN :FLIP amide:sc= 1.1 F(o=-0.25,f=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 1.189 0.823 -20.017 1.00 0.00 N ATOM 2 CA GLY A 627 2.089 1.125 -18.870 1.00 0.00 C ATOM 3 C GLY A 627 1.346 1.186 -17.549 1.00 0.00 C ATOM 4 O GLY A 627 0.353 0.477 -17.360 1.00 0.00 O ATOM 0 HA2 GLY A 627 2.866 0.363 -18.811 1.00 0.00 H new ATOM 0 HA3 GLY A 627 2.590 2.077 -19.046 1.00 0.00 H new ATOM 10 N GLY A 628 1.833 2.037 -16.640 1.00 0.00 N ATOM 11 CA GLY A 628 1.210 2.189 -15.332 1.00 0.00 C ATOM 12 C GLY A 628 2.205 2.561 -14.247 1.00 0.00 C ATOM 13 O GLY A 628 1.962 3.494 -13.481 1.00 0.00 O ATOM 0 H GLY A 628 2.652 2.626 -16.790 1.00 0.00 H new ATOM 0 HA2 GLY A 628 0.438 2.956 -15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 628 0.714 1.257 -15.060 1.00 0.00 H new ATOM 17 N ILE A 629 3.332 1.819 -14.203 1.00 0.00 N ATOM 18 CA ILE A 629 4.439 2.004 -13.222 1.00 0.00 C ATOM 19 C ILE A 629 3.966 2.187 -11.759 1.00 0.00 C ATOM 20 O ILE A 629 3.997 1.229 -10.981 1.00 0.00 O ATOM 21 CB ILE A 629 5.467 3.123 -13.625 1.00 0.00 C ATOM 22 CG1 ILE A 629 4.799 4.453 -14.032 1.00 0.00 C ATOM 23 CG2 ILE A 629 6.356 2.621 -14.755 1.00 0.00 C ATOM 24 CD1 ILE A 629 5.469 5.678 -13.441 1.00 0.00 C ATOM 0 H ILE A 629 3.508 1.058 -14.859 1.00 0.00 H new ATOM 0 HA ILE A 629 4.970 1.053 -13.263 1.00 0.00 H new ATOM 0 HB ILE A 629 6.063 3.336 -12.737 1.00 0.00 H new ATOM 0 HG12 ILE A 629 4.806 4.535 -15.119 1.00 0.00 H new ATOM 0 HG13 ILE A 629 3.755 4.435 -13.720 1.00 0.00 H new ATOM 0 HG21 ILE A 629 7.067 3.399 -15.032 1.00 0.00 H new ATOM 0 HG22 ILE A 629 6.898 1.735 -14.425 1.00 0.00 H new ATOM 0 HG23 ILE A 629 5.740 2.369 -15.618 1.00 0.00 H new ATOM 0 HD11 ILE A 629 4.944 6.575 -13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 629 5.439 5.620 -12.353 1.00 0.00 H new ATOM 0 HD13 ILE A 629 6.506 5.721 -13.773 1.00 0.00 H new ATOM 36 N ARG A 630 3.535 3.404 -11.397 1.00 0.00 N ATOM 37 CA ARG A 630 3.071 3.697 -10.038 1.00 0.00 C ATOM 38 C ARG A 630 1.544 3.659 -9.959 1.00 0.00 C ATOM 39 O ARG A 630 0.856 4.470 -10.589 1.00 0.00 O ATOM 40 CB ARG A 630 3.592 5.065 -9.576 1.00 0.00 C ATOM 41 CG ARG A 630 5.085 5.088 -9.280 1.00 0.00 C ATOM 42 CD ARG A 630 5.567 6.492 -8.953 1.00 0.00 C ATOM 43 NE ARG A 630 7.010 6.530 -8.690 1.00 0.00 N ATOM 44 CZ ARG A 630 7.776 7.625 -8.795 1.00 0.00 C ATOM 45 NH1 ARG A 630 7.258 8.796 -9.161 1.00 0.00 N ATOM 46 NH2 ARG A 630 9.073 7.545 -8.532 1.00 0.00 N ATOM 0 H ARG A 630 3.499 4.202 -12.031 1.00 0.00 H new ATOM 0 HA ARG A 630 3.466 2.928 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 630 3.373 5.805 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 630 3.049 5.366 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 630 5.301 4.424 -8.443 1.00 0.00 H new ATOM 0 HG3 ARG A 630 5.633 4.705 -10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 630 5.332 7.159 -9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 630 5.030 6.866 -8.082 1.00 0.00 H new ATOM 0 HE ARG A 630 7.463 5.661 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 630 6.262 8.871 -9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 630 7.857 9.618 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 630 9.483 6.654 -8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 630 9.661 8.375 -8.610 1.00 0.00 H new ATOM 60 N LYS A 631 1.028 2.695 -9.185 1.00 0.00 N ATOM 61 CA LYS A 631 -0.418 2.520 -8.997 1.00 0.00 C ATOM 62 C LYS A 631 -0.733 2.056 -7.574 1.00 0.00 C ATOM 63 O LYS A 631 0.132 1.508 -6.889 1.00 0.00 O ATOM 64 CB LYS A 631 -0.979 1.505 -10.006 1.00 0.00 C ATOM 65 CG LYS A 631 -1.181 2.075 -11.401 1.00 0.00 C ATOM 66 CD LYS A 631 -1.837 1.062 -12.325 1.00 0.00 C ATOM 67 CE LYS A 631 -2.172 1.673 -13.676 1.00 0.00 C ATOM 68 NZ LYS A 631 -2.817 0.688 -14.587 1.00 0.00 N ATOM 0 H LYS A 631 1.597 2.019 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 631 -0.892 3.487 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 631 -0.301 0.654 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 631 -1.932 1.128 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 631 -1.799 2.971 -11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 631 -0.219 2.378 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 631 -1.170 0.211 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 631 -2.747 0.681 -11.861 1.00 0.00 H new ATOM 0 HE2 LYS A 631 -2.836 2.525 -13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 631 -1.261 2.053 -14.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 -3.029 1.144 -15.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 -2.173 -0.114 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 -3.700 0.344 -14.158 1.00 0.00 H new ATOM 82 N THR A 632 -1.987 2.280 -7.150 1.00 0.00 N ATOM 83 CA THR A 632 -2.475 1.892 -5.812 1.00 0.00 C ATOM 84 C THR A 632 -2.648 0.369 -5.691 1.00 0.00 C ATOM 85 O THR A 632 -2.334 -0.230 -4.660 1.00 0.00 O ATOM 86 CB THR A 632 -3.824 2.568 -5.486 1.00 0.00 C ATOM 87 OG1 THR A 632 -4.741 2.390 -6.573 1.00 0.00 O ATOM 88 CG2 THR A 632 -3.641 4.054 -5.209 1.00 0.00 C ATOM 0 H THR A 632 -2.695 2.736 -7.725 1.00 0.00 H new ATOM 0 HA THR A 632 -1.719 2.226 -5.101 1.00 0.00 H new ATOM 0 HB THR A 632 -4.227 2.097 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 632 -5.594 2.821 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 632 -4.608 4.504 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 632 -2.971 4.186 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 632 -3.213 4.538 -6.087 1.00 0.00 H new ATOM 96 N ARG A 633 -3.163 -0.223 -6.774 1.00 0.00 N ATOM 97 CA ARG A 633 -3.436 -1.668 -6.898 1.00 0.00 C ATOM 98 C ARG A 633 -2.251 -2.580 -6.532 1.00 0.00 C ATOM 99 O ARG A 633 -2.456 -3.632 -5.928 1.00 0.00 O ATOM 100 CB ARG A 633 -3.899 -1.990 -8.323 1.00 0.00 C ATOM 101 CG ARG A 633 -5.319 -1.531 -8.628 1.00 0.00 C ATOM 102 CD ARG A 633 -5.730 -1.894 -10.046 1.00 0.00 C ATOM 103 NE ARG A 633 -7.098 -1.460 -10.349 1.00 0.00 N ATOM 104 CZ ARG A 633 -7.749 -1.724 -11.491 1.00 0.00 C ATOM 105 NH1 ARG A 633 -7.174 -2.427 -12.466 1.00 0.00 N ATOM 106 NH2 ARG A 633 -8.987 -1.279 -11.657 1.00 0.00 N ATOM 0 H ARG A 633 -3.410 0.300 -7.614 1.00 0.00 H new ATOM 0 HA ARG A 633 -4.218 -1.880 -6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -3.216 -1.521 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -3.833 -3.066 -8.482 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -6.010 -1.988 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -5.391 -0.452 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -5.039 -1.435 -10.753 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -5.654 -2.973 -10.181 1.00 0.00 H new ATOM 0 HE ARG A 633 -7.590 -0.918 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -6.222 -2.775 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -7.686 -2.617 -13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -9.438 -0.739 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -9.488 -1.476 -12.523 1.00 0.00 H new ATOM 120 N GLU A 634 -1.021 -2.165 -6.890 1.00 0.00 N ATOM 121 CA GLU A 634 0.189 -2.986 -6.689 1.00 0.00 C ATOM 122 C GLU A 634 0.557 -3.037 -5.216 1.00 0.00 C ATOM 123 O GLU A 634 0.944 -4.081 -4.683 1.00 0.00 O ATOM 124 CB GLU A 634 1.364 -2.433 -7.509 1.00 0.00 C ATOM 125 CG GLU A 634 1.196 -2.585 -9.015 1.00 0.00 C ATOM 126 CD GLU A 634 2.372 -2.026 -9.791 1.00 0.00 C ATOM 127 OE1 GLU A 634 2.348 -0.821 -10.118 1.00 0.00 O ATOM 128 OE2 GLU A 634 3.318 -2.792 -10.070 1.00 0.00 O ATOM 0 H GLU A 634 -0.838 -1.260 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 634 -0.026 -3.998 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.493 -1.377 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.278 -2.942 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 634 1.073 -3.640 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 634 0.284 -2.077 -9.328 1.00 0.00 H new ATOM 135 N THR A 635 0.423 -1.874 -4.583 1.00 0.00 N ATOM 136 CA THR A 635 0.693 -1.679 -3.164 1.00 0.00 C ATOM 137 C THR A 635 -0.253 -2.561 -2.324 1.00 0.00 C ATOM 138 O THR A 635 0.191 -3.445 -1.569 1.00 0.00 O ATOM 139 CB THR A 635 0.530 -0.168 -2.797 1.00 0.00 C ATOM 140 OG1 THR A 635 -0.671 0.042 -2.048 1.00 0.00 O ATOM 141 CG2 THR A 635 0.489 0.712 -4.042 1.00 0.00 C ATOM 0 H THR A 635 0.117 -1.023 -5.055 1.00 0.00 H new ATOM 0 HA THR A 635 1.719 -1.975 -2.943 1.00 0.00 H new ATOM 0 HB THR A 635 1.397 0.108 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 635 -1.423 0.168 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 635 0.375 1.755 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 635 1.416 0.593 -4.602 1.00 0.00 H new ATOM 0 HG23 THR A 635 -0.354 0.418 -4.668 1.00 0.00 H new ATOM 149 N GLU A 636 -1.565 -2.316 -2.488 1.00 0.00 N ATOM 150 CA GLU A 636 -2.610 -3.085 -1.805 1.00 0.00 C ATOM 151 C GLU A 636 -2.442 -4.572 -2.121 1.00 0.00 C ATOM 152 O GLU A 636 -2.662 -5.417 -1.260 1.00 0.00 O ATOM 153 CB GLU A 636 -4.027 -2.570 -2.136 1.00 0.00 C ATOM 154 CG GLU A 636 -4.314 -2.342 -3.620 1.00 0.00 C ATOM 155 CD GLU A 636 -5.727 -1.852 -3.872 1.00 0.00 C ATOM 156 OE1 GLU A 636 -5.939 -0.621 -3.865 1.00 0.00 O ATOM 157 OE2 GLU A 636 -6.621 -2.700 -4.075 1.00 0.00 O ATOM 0 H GLU A 636 -1.926 -1.581 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 636 -2.494 -2.947 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -4.754 -3.284 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -4.187 -1.632 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -3.605 -1.615 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.153 -3.273 -4.165 1.00 0.00 H new ATOM 164 N ARG A 637 -2.055 -4.859 -3.384 1.00 0.00 N ATOM 165 CA ARG A 637 -1.794 -6.228 -3.862 1.00 0.00 C ATOM 166 C ARG A 637 -0.843 -6.963 -2.911 1.00 0.00 C ATOM 167 O ARG A 637 -1.055 -8.141 -2.635 1.00 0.00 O ATOM 168 CB ARG A 637 -1.211 -6.196 -5.274 1.00 0.00 C ATOM 169 CG ARG A 637 -2.116 -6.826 -6.322 1.00 0.00 C ATOM 170 CD ARG A 637 -1.713 -6.414 -7.729 1.00 0.00 C ATOM 171 NE ARG A 637 -2.553 -7.050 -8.750 1.00 0.00 N ATOM 172 CZ ARG A 637 -2.451 -6.830 -10.070 1.00 0.00 C ATOM 173 NH1 ARG A 637 -1.545 -5.987 -10.561 1.00 0.00 N ATOM 174 NH2 ARG A 637 -3.267 -7.462 -10.903 1.00 0.00 N ATOM 0 H ARG A 637 -1.916 -4.144 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.741 -6.768 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.013 -5.161 -5.553 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.253 -6.716 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -2.075 -7.912 -6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -3.149 -6.530 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -1.785 -5.331 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -0.670 -6.681 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 637 -3.266 -7.707 -8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.912 -5.494 -9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -1.484 -5.834 -11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -3.966 -8.110 -10.539 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -3.196 -7.300 -11.908 1.00 0.00 H new ATOM 188 N LEU A 638 0.203 -6.254 -2.407 1.00 0.00 N ATOM 189 CA LEU A 638 1.144 -6.832 -1.412 1.00 0.00 C ATOM 190 C LEU A 638 0.322 -7.417 -0.290 1.00 0.00 C ATOM 191 O LEU A 638 0.403 -8.590 0.085 1.00 0.00 O ATOM 192 CB LEU A 638 2.022 -5.725 -0.734 1.00 0.00 C ATOM 193 CG LEU A 638 1.811 -5.623 0.825 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.880 -6.354 1.617 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.629 -4.191 1.336 1.00 0.00 C ATOM 0 H LEU A 638 0.413 -5.291 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 638 1.775 -7.555 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.073 -5.930 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 638 1.792 -4.761 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 638 0.865 -6.135 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 638 2.680 -6.247 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 638 2.872 -7.411 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.857 -5.930 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.490 -4.205 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 638 2.513 -3.602 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 638 0.754 -3.744 0.863 1.00 0.00 H new ATOM 207 N ARG A 639 -0.470 -6.489 0.204 1.00 0.00 N ATOM 208 CA ARG A 639 -1.352 -6.652 1.326 1.00 0.00 C ATOM 209 C ARG A 639 -2.492 -7.652 1.051 1.00 0.00 C ATOM 210 O ARG A 639 -2.851 -8.437 1.934 1.00 0.00 O ATOM 211 CB ARG A 639 -1.812 -5.237 1.697 1.00 0.00 C ATOM 212 CG ARG A 639 -2.419 -5.099 3.101 1.00 0.00 C ATOM 213 CD ARG A 639 -1.382 -5.246 4.212 1.00 0.00 C ATOM 214 NE ARG A 639 -1.964 -5.012 5.539 1.00 0.00 N ATOM 215 CZ ARG A 639 -1.289 -5.098 6.695 1.00 0.00 C ATOM 216 NH1 ARG A 639 0.005 -5.413 6.717 1.00 0.00 N ATOM 217 NH2 ARG A 639 -1.919 -4.864 7.838 1.00 0.00 N ATOM 0 H ARG A 639 -0.513 -5.551 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 639 -0.848 -7.111 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.960 -4.562 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -2.549 -4.907 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -2.903 -4.126 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -3.195 -5.854 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -0.951 -6.246 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -0.567 -4.542 4.044 1.00 0.00 H new ATOM 0 HE ARG A 639 -2.953 -4.766 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 639 0.501 -5.594 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 639 0.500 -5.473 7.607 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -2.910 -4.621 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -1.413 -4.927 8.721 1.00 0.00 H new ATOM 231 N ARG A 640 -3.050 -7.616 -0.166 1.00 0.00 N ATOM 232 CA ARG A 640 -4.136 -8.521 -0.563 1.00 0.00 C ATOM 233 C ARG A 640 -3.630 -9.967 -0.768 1.00 0.00 C ATOM 234 O ARG A 640 -4.116 -10.886 -0.103 1.00 0.00 O ATOM 235 CB ARG A 640 -4.817 -7.998 -1.837 1.00 0.00 C ATOM 236 CG ARG A 640 -6.301 -8.330 -1.924 1.00 0.00 C ATOM 237 CD ARG A 640 -6.931 -7.742 -3.176 1.00 0.00 C ATOM 238 NE ARG A 640 -8.365 -8.038 -3.262 1.00 0.00 N ATOM 239 CZ ARG A 640 -9.199 -7.518 -4.175 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.762 -6.665 -5.100 1.00 0.00 N ATOM 241 NH2 ARG A 640 -10.481 -7.857 -4.160 1.00 0.00 N ATOM 0 H ARG A 640 -2.764 -6.965 -0.897 1.00 0.00 H new ATOM 0 HA ARG A 640 -4.866 -8.546 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -4.693 -6.916 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -4.310 -8.416 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -6.434 -9.412 -1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -6.813 -7.945 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -6.783 -6.662 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -6.426 -8.139 -4.056 1.00 0.00 H new ATOM 0 HE ARG A 640 -8.756 -8.686 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.778 -6.397 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.411 -6.280 -5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -10.828 -8.510 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -11.120 -7.465 -4.851 1.00 0.00 H new ATOM 255 N GLN A 641 -2.654 -10.161 -1.686 1.00 0.00 N ATOM 256 CA GLN A 641 -2.098 -11.502 -1.973 1.00 0.00 C ATOM 257 C GLN A 641 -0.641 -11.447 -2.461 1.00 0.00 C ATOM 258 O GLN A 641 0.179 -12.276 -2.058 1.00 0.00 O ATOM 259 CB GLN A 641 -2.948 -12.232 -3.028 1.00 0.00 C ATOM 260 CG GLN A 641 -4.238 -12.824 -2.480 1.00 0.00 C ATOM 261 CD GLN A 641 -5.053 -13.530 -3.546 1.00 0.00 C ATOM 262 OE1 GLN A 641 -4.889 -14.727 -3.779 1.00 0.00 O ATOM 263 NE2 GLN A 641 -5.939 -12.788 -4.201 1.00 0.00 N ATOM 0 H GLN A 641 -2.238 -9.410 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 641 -2.121 -12.047 -1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 641 -3.192 -11.535 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 641 -2.353 -13.031 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -4.001 -13.529 -1.683 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -4.838 -12.030 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -6.042 -11.799 -3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 641 -6.516 -13.208 -4.930 1.00 0.00 H new ATOM 272 N LEU A 642 -0.330 -10.467 -3.327 1.00 0.00 N ATOM 273 CA LEU A 642 1.016 -10.301 -3.912 1.00 0.00 C ATOM 274 C LEU A 642 2.083 -9.894 -2.869 1.00 0.00 C ATOM 275 O LEU A 642 1.820 -9.919 -1.664 1.00 0.00 O ATOM 276 CB LEU A 642 0.952 -9.279 -5.062 1.00 0.00 C ATOM 277 CG LEU A 642 1.433 -9.787 -6.432 1.00 0.00 C ATOM 278 CD1 LEU A 642 0.839 -8.943 -7.548 1.00 0.00 C ATOM 279 CD2 LEU A 642 2.957 -9.770 -6.523 1.00 0.00 C ATOM 0 H LEU A 642 -1.002 -9.768 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 642 1.329 -11.271 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 642 -0.078 -8.937 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 642 1.551 -8.411 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 642 1.094 -10.817 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 642 1.189 -9.315 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 642 -0.249 -9.002 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 642 1.150 -7.906 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 642 3.267 -10.134 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 642 3.318 -8.751 -6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 642 3.375 -10.412 -5.748 1.00 0.00 H new ATOM 291 N LEU A 643 3.284 -9.526 -3.357 1.00 0.00 N ATOM 292 CA LEU A 643 4.416 -9.150 -2.500 1.00 0.00 C ATOM 293 C LEU A 643 4.441 -7.646 -2.171 1.00 0.00 C ATOM 294 O LEU A 643 3.810 -6.836 -2.849 1.00 0.00 O ATOM 295 CB LEU A 643 5.730 -9.567 -3.184 1.00 0.00 C ATOM 296 CG LEU A 643 6.926 -9.809 -2.249 1.00 0.00 C ATOM 297 CD1 LEU A 643 6.921 -11.238 -1.718 1.00 0.00 C ATOM 298 CD2 LEU A 643 8.232 -9.514 -2.971 1.00 0.00 C ATOM 0 H LEU A 643 3.492 -9.482 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 643 4.300 -9.674 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 643 5.548 -10.479 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.005 -8.794 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 643 6.837 -9.132 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 643 7.777 -11.384 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 643 6.000 -11.416 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 643 6.982 -11.936 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 643 9.069 -9.690 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 643 8.323 -10.166 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 643 8.241 -8.474 -3.296 1.00 0.00 H new ATOM 310 N GLU A 644 5.215 -7.319 -1.117 1.00 0.00 N ATOM 311 CA GLU A 644 5.418 -5.949 -0.575 1.00 0.00 C ATOM 312 C GLU A 644 5.767 -4.896 -1.651 1.00 0.00 C ATOM 313 O GLU A 644 6.951 -4.555 -1.795 1.00 0.00 O ATOM 314 CB GLU A 644 6.582 -6.026 0.442 1.00 0.00 C ATOM 315 CG GLU A 644 6.255 -6.742 1.746 1.00 0.00 C ATOM 316 CD GLU A 644 7.495 -7.235 2.465 1.00 0.00 C ATOM 317 OE1 GLU A 644 8.050 -6.471 3.282 1.00 0.00 O ATOM 318 OE2 GLU A 644 7.910 -8.385 2.212 1.00 0.00 O ATOM 0 H GLU A 644 5.738 -8.023 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 644 4.479 -5.626 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 644 7.424 -6.532 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.909 -5.012 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 644 5.705 -6.065 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 644 5.599 -7.588 1.538 1.00 0.00 H new ATOM 325 N VAL A 645 4.785 -4.370 -2.440 1.00 0.00 N ATOM 326 CA VAL A 645 5.219 -3.416 -3.490 1.00 0.00 C ATOM 327 C VAL A 645 5.500 -1.955 -2.974 1.00 0.00 C ATOM 328 O VAL A 645 6.644 -1.655 -2.625 1.00 0.00 O ATOM 329 CB VAL A 645 4.129 -3.432 -4.618 1.00 0.00 C ATOM 330 CG1 VAL A 645 4.323 -2.316 -5.651 1.00 0.00 C ATOM 331 CG2 VAL A 645 4.122 -4.781 -5.331 1.00 0.00 C ATOM 0 H VAL A 645 3.786 -4.567 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 645 6.187 -3.744 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 645 3.173 -3.261 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 645 3.539 -2.379 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 645 4.272 -1.347 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 645 5.296 -2.428 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 645 3.360 -4.776 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 645 5.099 -4.961 -5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 645 3.901 -5.571 -4.613 1.00 0.00 H new ATOM 341 N PHE A 646 4.460 -1.083 -2.849 1.00 0.00 N ATOM 342 CA PHE A 646 4.595 0.264 -2.250 1.00 0.00 C ATOM 343 C PHE A 646 4.346 0.143 -0.777 1.00 0.00 C ATOM 344 O PHE A 646 5.172 0.413 0.096 1.00 0.00 O ATOM 345 CB PHE A 646 3.678 1.310 -2.890 1.00 0.00 C ATOM 346 CG PHE A 646 4.386 2.232 -3.843 1.00 0.00 C ATOM 347 CD1 PHE A 646 4.501 1.908 -5.186 1.00 0.00 C ATOM 348 CD2 PHE A 646 4.938 3.421 -3.394 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.153 2.754 -6.063 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.591 4.271 -4.267 1.00 0.00 C ATOM 351 CZ PHE A 646 5.699 3.936 -5.603 1.00 0.00 C ATOM 0 H PHE A 646 3.513 -1.298 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 646 5.605 0.627 -2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 646 2.875 0.800 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.213 1.903 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 646 4.076 0.984 -5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.857 3.687 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 646 5.235 2.491 -7.107 1.00 0.00 H new ATOM 0 HE2 PHE A 646 6.016 5.196 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.210 4.598 -6.287 1.00 0.00 H new ATOM 361 N TRP A 647 3.094 -0.299 -0.595 1.00 0.00 N ATOM 362 CA TRP A 647 2.428 -0.589 0.627 1.00 0.00 C ATOM 363 C TRP A 647 3.286 -1.540 1.441 1.00 0.00 C ATOM 364 O TRP A 647 3.202 -1.540 2.633 1.00 0.00 O ATOM 365 CB TRP A 647 1.060 -1.149 0.221 1.00 0.00 C ATOM 366 CG TRP A 647 -0.069 -1.174 1.225 1.00 0.00 C ATOM 367 CD1 TRP A 647 -1.352 -0.860 0.914 1.00 0.00 C ATOM 368 CD2 TRP A 647 -0.092 -1.549 2.627 1.00 0.00 C ATOM 369 NE1 TRP A 647 -2.154 -0.982 2.006 1.00 0.00 N ATOM 370 CE2 TRP A 647 -1.419 -1.405 3.063 1.00 0.00 C ATOM 371 CE3 TRP A 647 0.849 -1.980 3.556 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.819 -1.675 4.364 1.00 0.00 C ATOM 373 CZ3 TRP A 647 0.447 -2.250 4.852 1.00 0.00 C ATOM 374 CH2 TRP A 647 -0.875 -2.097 5.243 1.00 0.00 C ATOM 0 H TRP A 647 2.485 -0.470 -1.395 1.00 0.00 H new ATOM 0 HA TRP A 647 2.273 0.276 1.272 1.00 0.00 H new ATOM 0 HB2 TRP A 647 0.717 -0.576 -0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.216 -2.173 -0.119 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -1.690 -0.555 -0.065 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -3.155 -0.785 2.026 1.00 0.00 H new ATOM 0 HE3 TRP A 647 1.883 -2.103 3.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -2.848 -1.553 4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.177 -2.587 5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -1.157 -2.317 6.262 1.00 0.00 H new ATOM 385 N GLY A 648 4.011 -2.444 0.777 1.00 0.00 N ATOM 386 CA GLY A 648 4.852 -3.393 1.493 1.00 0.00 C ATOM 387 C GLY A 648 6.286 -2.949 1.790 1.00 0.00 C ATOM 388 O GLY A 648 6.776 -3.230 2.887 1.00 0.00 O ATOM 0 H GLY A 648 4.030 -2.535 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 648 4.367 -3.632 2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.894 -4.316 0.914 1.00 0.00 H new ATOM 392 N GLN A 649 6.971 -2.284 0.826 1.00 0.00 N ATOM 393 CA GLN A 649 8.390 -1.840 0.991 1.00 0.00 C ATOM 394 C GLN A 649 8.776 -1.435 2.433 1.00 0.00 C ATOM 395 O GLN A 649 8.136 -0.574 3.035 1.00 0.00 O ATOM 396 CB GLN A 649 8.701 -0.682 0.040 1.00 0.00 C ATOM 397 CG GLN A 649 9.267 -1.129 -1.298 1.00 0.00 C ATOM 398 CD GLN A 649 9.563 0.035 -2.223 1.00 0.00 C ATOM 399 OE1 GLN A 649 10.665 0.583 -2.216 1.00 0.00 O ATOM 400 NE2 GLN A 649 8.578 0.419 -3.026 1.00 0.00 N ATOM 0 H GLN A 649 6.567 -2.040 -0.078 1.00 0.00 H new ATOM 0 HA GLN A 649 8.992 -2.716 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 649 7.789 -0.110 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.412 -0.010 0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.182 -1.697 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 649 8.559 -1.802 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 649 7.680 -0.064 -2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 649 8.719 1.197 -3.670 1.00 0.00 H new ATOM 409 N ASP A 650 9.838 -2.101 2.953 1.00 0.00 N ATOM 410 CA ASP A 650 10.419 -1.905 4.319 1.00 0.00 C ATOM 411 C ASP A 650 9.600 -0.978 5.256 1.00 0.00 C ATOM 412 O ASP A 650 8.631 -1.426 5.861 1.00 0.00 O ATOM 413 CB ASP A 650 11.872 -1.413 4.198 1.00 0.00 C ATOM 414 CG ASP A 650 12.808 -2.484 3.668 1.00 0.00 C ATOM 415 OD1 ASP A 650 13.373 -3.237 4.489 1.00 0.00 O ATOM 416 OD2 ASP A 650 12.976 -2.568 2.433 1.00 0.00 O ATOM 0 H ASP A 650 10.335 -2.815 2.420 1.00 0.00 H new ATOM 0 HA ASP A 650 10.384 -2.882 4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 650 11.905 -0.547 3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 650 12.222 -1.081 5.175 1.00 0.00 H new ATOM 421 N HIS A 651 10.025 0.294 5.392 1.00 0.00 N ATOM 422 CA HIS A 651 9.332 1.301 6.225 1.00 0.00 C ATOM 423 C HIS A 651 8.028 1.752 5.555 1.00 0.00 C ATOM 424 O HIS A 651 6.991 1.892 6.198 1.00 0.00 O ATOM 425 CB HIS A 651 10.242 2.509 6.479 1.00 0.00 C ATOM 426 CG HIS A 651 11.412 2.209 7.366 1.00 0.00 C ATOM 427 ND1 HIS A 651 11.441 2.525 8.708 1.00 0.00 N ATOM 428 CD2 HIS A 651 12.601 1.617 7.096 1.00 0.00 C ATOM 429 CE1 HIS A 651 12.596 2.143 9.225 1.00 0.00 C ATOM 430 NE2 HIS A 651 13.316 1.589 8.267 1.00 0.00 N ATOM 0 H HIS A 651 10.859 0.654 4.928 1.00 0.00 H new ATOM 0 HA HIS A 651 9.089 0.841 7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 651 10.609 2.883 5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 651 9.653 3.308 6.929 1.00 0.00 H new ATOM 0 HD2 HIS A 651 12.925 1.238 6.138 1.00 0.00 H new ATOM 0 HE1 HIS A 651 12.899 2.263 10.255 1.00 0.00 H new ATOM 0 HE2 HIS A 651 14.253 1.202 8.379 1.00 0.00 H new ATOM 439 N LYS A 652 8.128 1.894 4.232 1.00 0.00 N ATOM 440 CA LYS A 652 7.065 2.333 3.309 1.00 0.00 C ATOM 441 C LYS A 652 5.710 1.629 3.494 1.00 0.00 C ATOM 442 O LYS A 652 4.672 2.226 3.215 1.00 0.00 O ATOM 443 CB LYS A 652 7.528 2.166 1.860 1.00 0.00 C ATOM 444 CG LYS A 652 8.524 3.225 1.410 1.00 0.00 C ATOM 445 CD LYS A 652 8.823 3.118 -0.077 1.00 0.00 C ATOM 446 CE LYS A 652 9.807 4.187 -0.525 1.00 0.00 C ATOM 447 NZ LYS A 652 10.113 4.087 -1.979 1.00 0.00 N ATOM 0 H LYS A 652 9.001 1.696 3.742 1.00 0.00 H new ATOM 0 HA LYS A 652 6.892 3.381 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.981 1.181 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.658 2.196 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.127 4.216 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.449 3.119 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.231 2.131 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 652 7.897 3.214 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 652 9.396 5.173 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 652 10.730 4.093 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 10.787 4.833 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 10.529 3.156 -2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 9.237 4.202 -2.527 1.00 0.00 H new ATOM 461 N VAL A 653 5.732 0.363 3.933 1.00 0.00 N ATOM 462 CA VAL A 653 4.528 -0.499 4.008 1.00 0.00 C ATOM 463 C VAL A 653 3.273 0.188 4.621 1.00 0.00 C ATOM 464 O VAL A 653 2.330 0.451 3.879 1.00 0.00 O ATOM 465 CB VAL A 653 4.908 -1.827 4.789 1.00 0.00 C ATOM 466 CG1 VAL A 653 5.803 -1.545 5.990 1.00 0.00 C ATOM 467 CG2 VAL A 653 3.709 -2.634 5.267 1.00 0.00 C ATOM 0 H VAL A 653 6.584 -0.100 4.249 1.00 0.00 H new ATOM 0 HA VAL A 653 4.228 -0.727 2.985 1.00 0.00 H new ATOM 0 HB VAL A 653 5.442 -2.424 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 653 6.039 -2.481 6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 653 6.726 -1.072 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 653 5.286 -0.880 6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 653 4.055 -3.525 5.791 1.00 0.00 H new ATOM 0 HG22 VAL A 653 3.108 -2.026 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.104 -2.929 4.410 1.00 0.00 H new ATOM 477 N ASP A 654 3.241 0.482 5.900 1.00 0.00 N ATOM 478 CA ASP A 654 2.127 1.249 6.485 1.00 0.00 C ATOM 479 C ASP A 654 2.318 2.728 6.142 1.00 0.00 C ATOM 480 O ASP A 654 1.381 3.518 6.040 1.00 0.00 O ATOM 481 CB ASP A 654 1.874 0.988 7.971 1.00 0.00 C ATOM 482 CG ASP A 654 3.119 1.082 8.842 1.00 0.00 C ATOM 483 OD1 ASP A 654 3.421 2.193 9.327 1.00 0.00 O ATOM 484 OD2 ASP A 654 3.788 0.046 9.035 1.00 0.00 O ATOM 0 H ASP A 654 3.963 0.210 6.567 1.00 0.00 H new ATOM 0 HA ASP A 654 1.202 0.893 6.032 1.00 0.00 H new ATOM 0 HB2 ASP A 654 1.136 1.703 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 654 1.439 -0.005 8.085 1.00 0.00 H new ATOM 489 N PHE A 655 3.607 3.041 6.023 1.00 0.00 N ATOM 490 CA PHE A 655 4.163 4.378 5.800 1.00 0.00 C ATOM 491 C PHE A 655 3.556 5.085 4.616 1.00 0.00 C ATOM 492 O PHE A 655 3.448 6.315 4.639 1.00 0.00 O ATOM 493 CB PHE A 655 5.680 4.347 5.662 1.00 0.00 C ATOM 494 CG PHE A 655 6.401 4.981 6.821 1.00 0.00 C ATOM 495 CD1 PHE A 655 6.697 4.249 7.962 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.784 6.312 6.769 1.00 0.00 C ATOM 497 CE1 PHE A 655 7.359 4.832 9.026 1.00 0.00 C ATOM 498 CE2 PHE A 655 7.446 6.900 7.830 1.00 0.00 C ATOM 499 CZ PHE A 655 7.734 6.159 8.959 1.00 0.00 C ATOM 0 H PHE A 655 4.335 2.329 6.083 1.00 0.00 H new ATOM 0 HA PHE A 655 3.901 4.948 6.691 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.007 3.312 5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.964 4.860 4.743 1.00 0.00 H new ATOM 0 HD1 PHE A 655 6.406 3.210 8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.562 6.897 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 655 7.583 4.251 9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.738 7.938 7.776 1.00 0.00 H new ATOM 0 HZ PHE A 655 8.252 6.617 9.789 1.00 0.00 H new ATOM 509 N ILE A 656 3.178 4.318 3.570 1.00 0.00 N ATOM 510 CA ILE A 656 2.651 4.918 2.342 1.00 0.00 C ATOM 511 C ILE A 656 1.670 6.070 2.642 1.00 0.00 C ATOM 512 O ILE A 656 1.931 7.201 2.227 1.00 0.00 O ATOM 513 CB ILE A 656 1.893 3.889 1.386 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.371 2.595 2.047 1.00 0.00 C ATOM 515 CG2 ILE A 656 2.809 3.455 0.249 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.625 2.790 3.311 1.00 0.00 C ATOM 0 H ILE A 656 3.230 3.299 3.558 1.00 0.00 H new ATOM 0 HA ILE A 656 3.541 5.282 1.828 1.00 0.00 H new ATOM 0 HB ILE A 656 1.022 4.454 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 656 0.724 2.079 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.219 1.938 2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.281 2.753 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.107 4.328 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 656 3.696 2.973 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.301 1.823 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.271 3.274 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -0.247 3.417 3.126 1.00 0.00 H new ATOM 528 N LEU A 657 0.611 5.839 3.403 1.00 0.00 N ATOM 529 CA LEU A 657 -0.346 6.914 3.690 1.00 0.00 C ATOM 530 C LEU A 657 0.211 7.956 4.675 1.00 0.00 C ATOM 531 O LEU A 657 -0.018 9.155 4.490 1.00 0.00 O ATOM 532 CB LEU A 657 -1.727 6.314 4.069 1.00 0.00 C ATOM 533 CG LEU A 657 -2.775 7.164 4.872 1.00 0.00 C ATOM 534 CD1 LEU A 657 -2.379 7.336 6.336 1.00 0.00 C ATOM 535 CD2 LEU A 657 -3.038 8.527 4.234 1.00 0.00 C ATOM 0 H LEU A 657 0.389 4.939 3.828 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.510 7.495 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -2.208 6.004 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.537 5.410 4.647 1.00 0.00 H new ATOM 0 HG LEU A 657 -3.703 6.594 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.134 7.931 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -2.303 6.357 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -1.416 7.843 6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -3.770 9.072 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -2.108 9.095 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -3.424 8.388 3.224 1.00 0.00 H new ATOM 547 N GLN A 658 0.936 7.507 5.712 1.00 0.00 N ATOM 548 CA GLN A 658 1.534 8.423 6.708 1.00 0.00 C ATOM 549 C GLN A 658 2.544 9.413 6.076 1.00 0.00 C ATOM 550 O GLN A 658 3.099 10.271 6.772 1.00 0.00 O ATOM 551 CB GLN A 658 2.213 7.618 7.819 1.00 0.00 C ATOM 552 CG GLN A 658 1.251 7.121 8.885 1.00 0.00 C ATOM 553 CD GLN A 658 1.916 6.192 9.882 1.00 0.00 C ATOM 554 OE1 GLN A 658 1.945 4.976 9.691 1.00 0.00 O ATOM 555 NE2 GLN A 658 2.454 6.762 10.954 1.00 0.00 N ATOM 0 H GLN A 658 1.124 6.520 5.886 1.00 0.00 H new ATOM 0 HA GLN A 658 0.722 9.018 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.725 6.763 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 658 2.976 8.237 8.290 1.00 0.00 H new ATOM 0 HG2 GLN A 658 0.829 7.975 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 658 0.421 6.601 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 658 2.407 7.774 11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 658 2.915 6.188 11.660 1.00 0.00 H new ATOM 564 N ARG A 659 2.761 9.285 4.756 1.00 0.00 N ATOM 565 CA ARG A 659 3.677 10.154 4.009 1.00 0.00 C ATOM 566 C ARG A 659 2.910 11.335 3.376 1.00 0.00 C ATOM 567 O ARG A 659 1.774 11.618 3.772 1.00 0.00 O ATOM 568 CB ARG A 659 4.424 9.335 2.935 1.00 0.00 C ATOM 569 CG ARG A 659 5.446 8.345 3.494 1.00 0.00 C ATOM 570 CD ARG A 659 6.788 9.009 3.776 1.00 0.00 C ATOM 571 NE ARG A 659 7.766 8.064 4.327 1.00 0.00 N ATOM 572 CZ ARG A 659 8.980 8.402 4.786 1.00 0.00 C ATOM 573 NH1 ARG A 659 9.394 9.668 4.772 1.00 0.00 N ATOM 574 NH2 ARG A 659 9.784 7.463 5.264 1.00 0.00 N ATOM 0 H ARG A 659 2.306 8.577 4.181 1.00 0.00 H new ATOM 0 HA ARG A 659 4.413 10.568 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 659 3.693 8.787 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 659 4.934 10.023 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 659 5.059 7.905 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 659 5.587 7.530 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 659 7.180 9.439 2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 659 6.645 9.832 4.477 1.00 0.00 H new ATOM 0 HE ARG A 659 7.504 7.079 4.364 1.00 0.00 H new ATOM 0 HH11 ARG A 659 8.784 10.400 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 659 10.321 9.905 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 659 9.478 6.490 5.281 1.00 0.00 H new ATOM 0 HH22 ARG A 659 10.709 7.713 5.615 1.00 0.00 H new ATOM 588 N GLU A 660 3.534 12.019 2.402 1.00 0.00 N ATOM 589 CA GLU A 660 2.922 13.178 1.737 1.00 0.00 C ATOM 590 C GLU A 660 2.178 12.827 0.422 1.00 0.00 C ATOM 591 O GLU A 660 1.081 13.352 0.212 1.00 0.00 O ATOM 592 CB GLU A 660 3.978 14.253 1.463 1.00 0.00 C ATOM 593 CG GLU A 660 4.363 15.060 2.693 1.00 0.00 C ATOM 594 CD GLU A 660 5.410 16.115 2.394 1.00 0.00 C ATOM 595 OE1 GLU A 660 6.615 15.802 2.499 1.00 0.00 O ATOM 596 OE2 GLU A 660 5.026 17.254 2.053 1.00 0.00 O ATOM 0 H GLU A 660 4.466 11.787 2.058 1.00 0.00 H new ATOM 0 HA GLU A 660 2.168 13.555 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.871 13.777 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.602 14.932 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.474 15.541 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.741 14.386 3.462 1.00 0.00 H new ATOM 603 N PRO A 661 2.729 11.951 -0.496 1.00 0.00 N ATOM 604 CA PRO A 661 2.057 11.611 -1.783 1.00 0.00 C ATOM 605 C PRO A 661 0.648 11.026 -1.619 1.00 0.00 C ATOM 606 O PRO A 661 0.354 10.364 -0.623 1.00 0.00 O ATOM 607 CB PRO A 661 2.986 10.570 -2.416 1.00 0.00 C ATOM 608 CG PRO A 661 4.312 10.813 -1.791 1.00 0.00 C ATOM 609 CD PRO A 661 4.022 11.228 -0.380 1.00 0.00 C ATOM 0 HA PRO A 661 1.907 12.509 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 661 2.636 9.557 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 661 3.032 10.687 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 661 4.928 9.914 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 661 4.860 11.590 -2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 661 3.944 10.368 0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 661 4.807 11.869 0.020 1.00 0.00 H new ATOM 617 N TYR A 662 -0.206 11.276 -2.627 1.00 0.00 N ATOM 618 CA TYR A 662 -1.606 10.807 -2.636 1.00 0.00 C ATOM 619 C TYR A 662 -1.728 9.288 -2.868 1.00 0.00 C ATOM 620 O TYR A 662 -2.537 8.615 -2.218 1.00 0.00 O ATOM 621 CB TYR A 662 -2.426 11.575 -3.694 1.00 0.00 C ATOM 622 CG TYR A 662 -1.816 11.597 -5.086 1.00 0.00 C ATOM 623 CD1 TYR A 662 -0.909 12.585 -5.452 1.00 0.00 C ATOM 624 CD2 TYR A 662 -2.150 10.632 -6.028 1.00 0.00 C ATOM 625 CE1 TYR A 662 -0.352 12.609 -6.716 1.00 0.00 C ATOM 626 CE2 TYR A 662 -1.597 10.650 -7.294 1.00 0.00 C ATOM 627 CZ TYR A 662 -0.699 11.640 -7.633 1.00 0.00 C ATOM 628 OH TYR A 662 -0.147 11.661 -8.893 1.00 0.00 O ATOM 0 H TYR A 662 0.053 11.808 -3.458 1.00 0.00 H new ATOM 0 HA TYR A 662 -2.010 11.010 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -3.419 11.130 -3.756 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.557 12.602 -3.355 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -0.635 13.346 -4.736 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -2.853 9.855 -5.766 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.352 13.383 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -1.867 9.892 -8.015 1.00 0.00 H new ATOM 0 HH TYR A 662 -0.496 10.909 -9.415 1.00 0.00 H new ATOM 638 N CYS A 663 -0.916 8.765 -3.800 1.00 0.00 N ATOM 639 CA CYS A 663 -0.911 7.332 -4.156 1.00 0.00 C ATOM 640 C CYS A 663 -0.649 6.423 -2.945 1.00 0.00 C ATOM 641 O CYS A 663 -1.306 5.391 -2.779 1.00 0.00 O ATOM 642 CB CYS A 663 0.139 7.069 -5.241 1.00 0.00 C ATOM 643 SG CYS A 663 0.100 5.393 -5.922 1.00 0.00 S ATOM 0 H CYS A 663 -0.244 9.321 -4.329 1.00 0.00 H new ATOM 0 HA CYS A 663 -1.906 7.090 -4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 663 -0.007 7.782 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 663 1.129 7.257 -4.826 1.00 0.00 H new ATOM 0 HG CYS A 663 1.022 5.272 -6.831 1.00 0.00 H new ATOM 649 N ARG A 664 0.289 6.848 -2.087 1.00 0.00 N ATOM 650 CA ARG A 664 0.697 6.109 -0.904 1.00 0.00 C ATOM 651 C ARG A 664 -0.409 6.215 0.143 1.00 0.00 C ATOM 652 O ARG A 664 -0.741 5.247 0.857 1.00 0.00 O ATOM 653 CB ARG A 664 2.043 6.654 -0.388 1.00 0.00 C ATOM 654 CG ARG A 664 3.180 6.609 -1.407 1.00 0.00 C ATOM 655 CD ARG A 664 4.522 6.908 -0.756 1.00 0.00 C ATOM 656 NE ARG A 664 5.623 6.893 -1.726 1.00 0.00 N ATOM 657 CZ ARG A 664 6.897 7.197 -1.439 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.263 7.545 -0.207 1.00 0.00 N ATOM 659 NH2 ARG A 664 7.813 7.151 -2.398 1.00 0.00 N ATOM 0 H ARG A 664 0.788 7.730 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 664 0.846 5.055 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 664 1.903 7.686 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 664 2.338 6.082 0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 664 3.212 5.625 -1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 664 2.989 7.333 -2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 664 4.480 7.884 -0.272 1.00 0.00 H new ATOM 0 HD3 ARG A 664 4.717 6.173 0.025 1.00 0.00 H new ATOM 0 HE ARG A 664 5.403 6.633 -2.687 1.00 0.00 H new ATOM 0 HH11 ARG A 664 6.569 7.584 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.238 7.772 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 664 7.546 6.886 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 664 8.784 7.381 -2.187 1.00 0.00 H new ATOM 673 N ASP A 665 -0.965 7.434 0.198 1.00 0.00 N ATOM 674 CA ASP A 665 -2.074 7.801 1.069 1.00 0.00 C ATOM 675 C ASP A 665 -3.234 6.820 0.945 1.00 0.00 C ATOM 676 O ASP A 665 -3.853 6.471 1.937 1.00 0.00 O ATOM 677 CB ASP A 665 -2.559 9.217 0.745 1.00 0.00 C ATOM 678 CG ASP A 665 -1.876 10.286 1.585 1.00 0.00 C ATOM 679 OD1 ASP A 665 -0.633 10.249 1.715 1.00 0.00 O ATOM 680 OD2 ASP A 665 -2.589 11.165 2.114 1.00 0.00 O ATOM 0 H ASP A 665 -0.641 8.208 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.709 7.767 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -2.381 9.423 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -3.636 9.271 0.903 1.00 0.00 H new ATOM 685 N ILE A 666 -3.473 6.355 -0.288 1.00 0.00 N ATOM 686 CA ILE A 666 -4.600 5.481 -0.600 1.00 0.00 C ATOM 687 C ILE A 666 -4.294 4.083 -0.110 1.00 0.00 C ATOM 688 O ILE A 666 -5.154 3.388 0.399 1.00 0.00 O ATOM 689 CB ILE A 666 -4.951 5.474 -2.124 1.00 0.00 C ATOM 690 CG1 ILE A 666 -5.185 6.916 -2.627 1.00 0.00 C ATOM 691 CG2 ILE A 666 -6.196 4.614 -2.395 1.00 0.00 C ATOM 692 CD1 ILE A 666 -4.997 7.103 -4.124 1.00 0.00 C ATOM 0 H ILE A 666 -2.888 6.577 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 666 -5.480 5.868 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 666 -4.109 5.042 -2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -6.197 7.220 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -4.503 7.585 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -6.420 4.625 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -6.007 3.590 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -7.044 5.017 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -5.181 8.145 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -3.977 6.835 -4.399 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -5.698 6.464 -4.661 1.00 0.00 H new ATOM 704 N ASN A 667 -3.036 3.701 -0.294 1.00 0.00 N ATOM 705 CA ASN A 667 -2.538 2.378 0.055 1.00 0.00 C ATOM 706 C ASN A 667 -2.869 1.930 1.503 1.00 0.00 C ATOM 707 O ASN A 667 -3.656 0.997 1.653 1.00 0.00 O ATOM 708 CB ASN A 667 -1.034 2.374 -0.184 1.00 0.00 C ATOM 709 CG ASN A 667 -0.617 2.808 -1.591 1.00 0.00 C ATOM 710 OD1 ASN A 667 0.503 3.275 -1.794 1.00 0.00 O ATOM 711 ND2 ASN A 667 -1.512 2.658 -2.568 1.00 0.00 N ATOM 0 H ASN A 667 -2.324 4.311 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 667 -3.047 1.651 -0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 667 -0.561 3.035 0.542 1.00 0.00 H new ATOM 0 HB3 ASN A 667 -0.651 1.370 0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 667 -1.277 2.934 -3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 667 -2.431 2.267 -2.362 1.00 0.00 H new ATOM 718 N GLN A 668 -2.333 2.585 2.570 1.00 0.00 N ATOM 719 CA GLN A 668 -2.688 2.158 3.964 1.00 0.00 C ATOM 720 C GLN A 668 -4.098 2.596 4.264 1.00 0.00 C ATOM 721 O GLN A 668 -4.863 1.882 4.912 1.00 0.00 O ATOM 722 CB GLN A 668 -1.708 2.618 5.086 1.00 0.00 C ATOM 723 CG GLN A 668 -2.322 3.432 6.234 1.00 0.00 C ATOM 724 CD GLN A 668 -1.331 3.710 7.347 1.00 0.00 C ATOM 725 OE1 GLN A 668 -0.645 4.841 7.261 1.00 0.00 O flip ATOM 726 NE2 GLN A 668 -1.189 2.918 8.278 1.00 0.00 N flip ATOM 0 H GLN A 668 -1.686 3.371 2.507 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.600 1.072 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.234 1.733 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -0.919 3.214 4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.698 4.377 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -3.177 2.892 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.738 2.059 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -0.522 3.121 9.023 1.00 0.00 H new ATOM 735 N LEU A 669 -4.413 3.803 3.796 1.00 0.00 N ATOM 736 CA LEU A 669 -5.727 4.381 3.959 1.00 0.00 C ATOM 737 C LEU A 669 -6.768 3.359 3.507 1.00 0.00 C ATOM 738 O LEU A 669 -7.587 2.905 4.307 1.00 0.00 O ATOM 739 CB LEU A 669 -5.796 5.647 3.107 1.00 0.00 C ATOM 740 CG LEU A 669 -6.785 6.725 3.582 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.331 8.104 3.134 1.00 0.00 C ATOM 742 CD2 LEU A 669 -8.190 6.441 3.060 1.00 0.00 C ATOM 0 H LEU A 669 -3.757 4.401 3.294 1.00 0.00 H new ATOM 0 HA LEU A 669 -5.924 4.640 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.800 6.088 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -6.061 5.362 2.089 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.809 6.701 4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.044 8.852 3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.348 8.318 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.274 8.133 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.872 7.217 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -8.178 6.432 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.526 5.471 3.427 1.00 0.00 H new ATOM 754 N SER A 670 -6.643 2.915 2.248 1.00 0.00 N ATOM 755 CA SER A 670 -7.549 1.917 1.694 1.00 0.00 C ATOM 756 C SER A 670 -7.300 0.531 2.306 1.00 0.00 C ATOM 757 O SER A 670 -8.225 -0.032 2.895 1.00 0.00 O ATOM 758 CB SER A 670 -7.452 1.854 0.163 1.00 0.00 C ATOM 759 OG SER A 670 -8.481 1.047 -0.387 1.00 0.00 O ATOM 0 H SER A 670 -5.922 3.235 1.601 1.00 0.00 H new ATOM 0 HA SER A 670 -8.561 2.226 1.955 1.00 0.00 H new ATOM 0 HB2 SER A 670 -7.517 2.861 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 670 -6.480 1.454 -0.126 1.00 0.00 H new ATOM 0 HG SER A 670 -8.395 1.027 -1.363 1.00 0.00 H new ATOM 765 N GLU A 671 -6.069 -0.037 2.183 1.00 0.00 N ATOM 766 CA GLU A 671 -5.840 -1.380 2.734 1.00 0.00 C ATOM 767 C GLU A 671 -5.682 -1.428 4.265 1.00 0.00 C ATOM 768 O GLU A 671 -6.504 -2.076 4.919 1.00 0.00 O ATOM 769 CB GLU A 671 -4.728 -2.125 2.011 1.00 0.00 C ATOM 770 CG GLU A 671 -5.122 -3.555 1.638 1.00 0.00 C ATOM 771 CD GLU A 671 -6.132 -3.645 0.500 1.00 0.00 C ATOM 772 OE1 GLU A 671 -7.217 -3.033 0.612 1.00 0.00 O ATOM 773 OE2 GLU A 671 -5.841 -4.340 -0.495 1.00 0.00 O ATOM 0 H GLU A 671 -5.264 0.396 1.730 1.00 0.00 H new ATOM 0 HA GLU A 671 -6.767 -1.918 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -4.458 -1.579 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -3.841 -2.150 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -4.225 -4.106 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -5.537 -4.047 2.518 1.00 0.00 H new ATOM 780 N ALA A 672 -4.638 -0.771 4.856 1.00 0.00 N ATOM 781 CA ALA A 672 -4.464 -0.791 6.331 1.00 0.00 C ATOM 782 C ALA A 672 -5.727 -0.406 7.139 1.00 0.00 C ATOM 783 O ALA A 672 -6.003 -1.049 8.156 1.00 0.00 O ATOM 784 CB ALA A 672 -3.317 0.108 6.746 1.00 0.00 C ATOM 0 H ALA A 672 -3.930 -0.240 4.349 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.250 -1.832 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.206 0.079 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.396 -0.238 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.523 1.130 6.429 1.00 0.00 H new ATOM 790 N LEU A 673 -6.496 0.625 6.709 1.00 0.00 N ATOM 791 CA LEU A 673 -7.698 1.046 7.462 1.00 0.00 C ATOM 792 C LEU A 673 -8.857 0.042 7.328 1.00 0.00 C ATOM 793 O LEU A 673 -9.538 -0.253 8.314 1.00 0.00 O ATOM 794 CB LEU A 673 -8.153 2.444 7.024 1.00 0.00 C ATOM 795 CG LEU A 673 -8.988 3.230 8.048 1.00 0.00 C ATOM 796 CD1 LEU A 673 -8.090 4.018 8.994 1.00 0.00 C ATOM 797 CD2 LEU A 673 -9.960 4.160 7.338 1.00 0.00 C ATOM 0 H LEU A 673 -6.310 1.167 5.865 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.415 1.076 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.269 3.032 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.736 2.345 6.108 1.00 0.00 H new ATOM 0 HG LEU A 673 -9.559 2.515 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -8.705 4.565 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -7.435 3.331 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -7.487 4.722 8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -10.544 4.709 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.404 4.864 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -10.630 3.574 6.709 1.00 0.00 H new ATOM 809 N LEU A 674 -9.069 -0.478 6.108 1.00 0.00 N ATOM 810 CA LEU A 674 -10.147 -1.446 5.835 1.00 0.00 C ATOM 811 C LEU A 674 -9.840 -2.824 6.445 1.00 0.00 C ATOM 812 O LEU A 674 -10.729 -3.474 7.002 1.00 0.00 O ATOM 813 CB LEU A 674 -10.374 -1.575 4.318 1.00 0.00 C ATOM 814 CG LEU A 674 -11.773 -2.041 3.885 1.00 0.00 C ATOM 815 CD1 LEU A 674 -12.150 -1.417 2.550 1.00 0.00 C ATOM 816 CD2 LEU A 674 -11.833 -3.561 3.790 1.00 0.00 C ATOM 0 H LEU A 674 -8.506 -0.243 5.291 1.00 0.00 H new ATOM 0 HA LEU A 674 -11.057 -1.071 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -10.176 -0.607 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -9.640 -2.275 3.919 1.00 0.00 H new ATOM 0 HG LEU A 674 -12.488 -1.715 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -13.143 -1.757 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -12.151 -0.331 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -11.426 -1.715 1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -12.833 -3.867 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -11.105 -3.909 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -11.604 -3.996 4.763 1.00 0.00 H new ATOM 828 N SER A 675 -8.574 -3.252 6.329 1.00 0.00 N ATOM 829 CA SER A 675 -8.115 -4.548 6.852 1.00 0.00 C ATOM 830 C SER A 675 -8.134 -4.594 8.389 1.00 0.00 C ATOM 831 O SER A 675 -8.528 -5.606 8.976 1.00 0.00 O ATOM 832 CB SER A 675 -6.705 -4.851 6.334 1.00 0.00 C ATOM 833 OG SER A 675 -6.329 -6.190 6.616 1.00 0.00 O ATOM 0 H SER A 675 -7.841 -2.711 5.871 1.00 0.00 H new ATOM 0 HA SER A 675 -8.809 -5.309 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.666 -4.679 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 675 -5.992 -4.166 6.793 1.00 0.00 H new ATOM 0 HG SER A 675 -5.426 -6.355 6.273 1.00 0.00 H new ATOM 839 N LEU A 676 -7.706 -3.491 9.027 1.00 0.00 N ATOM 840 CA LEU A 676 -7.657 -3.391 10.496 1.00 0.00 C ATOM 841 C LEU A 676 -9.063 -3.364 11.122 1.00 0.00 C ATOM 842 O LEU A 676 -9.304 -4.029 12.133 1.00 0.00 O ATOM 843 CB LEU A 676 -6.868 -2.137 10.910 1.00 0.00 C ATOM 844 CG LEU A 676 -6.269 -2.160 12.325 1.00 0.00 C ATOM 845 CD1 LEU A 676 -4.898 -2.824 12.326 1.00 0.00 C ATOM 846 CD2 LEU A 676 -6.179 -0.748 12.885 1.00 0.00 C ATOM 0 H LEU A 676 -7.387 -2.651 8.544 1.00 0.00 H new ATOM 0 HA LEU A 676 -7.152 -4.282 10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -6.058 -1.988 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -7.527 -1.273 10.829 1.00 0.00 H new ATOM 0 HG LEU A 676 -6.928 -2.747 12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -4.496 -2.827 13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -4.990 -3.850 11.969 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -4.225 -2.271 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -5.753 -0.781 13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -5.544 -0.141 12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -7.176 -0.310 12.929 1.00 0.00 H new ATOM 858 N ASN A 677 -9.979 -2.591 10.513 1.00 0.00 N ATOM 859 CA ASN A 677 -11.361 -2.470 11.002 1.00 0.00 C ATOM 860 C ASN A 677 -12.179 -3.742 10.731 1.00 0.00 C ATOM 861 O ASN A 677 -12.809 -4.282 11.644 1.00 0.00 O ATOM 862 CB ASN A 677 -12.048 -1.253 10.371 1.00 0.00 C ATOM 863 CG ASN A 677 -11.594 0.054 10.991 1.00 0.00 C ATOM 864 OD1 ASN A 677 -12.301 0.494 12.026 1.00 0.00 O flip ATOM 865 ND2 ASN A 677 -10.621 0.662 10.545 1.00 0.00 N flip ATOM 0 H ASN A 677 -9.784 -2.039 9.678 1.00 0.00 H new ATOM 0 HA ASN A 677 -11.313 -2.333 12.082 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -11.840 -1.236 9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.128 -1.350 10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -10.107 0.287 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.329 1.541 10.973 1.00 0.00 H new ATOM 872 N PHE A 678 -12.160 -4.208 9.470 1.00 0.00 N ATOM 873 CA PHE A 678 -12.890 -5.416 9.059 1.00 0.00 C ATOM 874 C PHE A 678 -12.225 -6.692 9.591 1.00 0.00 C ATOM 875 O PHE A 678 -12.882 -7.418 10.366 1.00 0.00 O ATOM 876 CB PHE A 678 -13.008 -5.474 7.532 1.00 0.00 C ATOM 877 CG PHE A 678 -14.039 -4.534 6.970 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.710 -3.224 6.656 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.339 -4.964 6.757 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.660 -2.362 6.141 1.00 0.00 C ATOM 881 CE2 PHE A 678 -16.292 -4.106 6.242 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.952 -2.803 5.933 1.00 0.00 C ATOM 883 OXT PHE A 678 -11.053 -6.946 9.237 1.00 0.00 O ATOM 0 H PHE A 678 -11.642 -3.761 8.714 1.00 0.00 H new ATOM 0 HA PHE A 678 -13.889 -5.360 9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.038 -5.241 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.257 -6.493 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.701 -2.874 6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.611 -5.982 6.996 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -14.392 -1.344 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -17.302 -4.454 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.695 -2.131 5.530 1.00 0.00 H new TER 893 PHE A 678