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 649 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Set 1.2: A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 631 LYS NZ :NH3+ -113:sc= 0.0135 (180deg=0) USER MOD Single : A 632 THR OG1 : rot 180:sc= 0 USER MOD Single : A 635 THR OG1 : rot -159:sc= -2.34! USER MOD Single : A 641 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 651 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.37) USER MOD Single : A 658 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.65) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc=0.000611 USER MOD Single : A 667 ASN : amide:sc= -3.95! C(o=-4!,f=-8!) USER MOD Single : A 668 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 670 SER OG : rot 64:sc= 0.669 USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 -0.790 4.701 -19.358 1.00 0.00 N ATOM 2 CA GLY A 627 -1.382 3.453 -18.800 1.00 0.00 C ATOM 3 C GLY A 627 -1.122 3.302 -17.314 1.00 0.00 C ATOM 4 O GLY A 627 -0.534 2.305 -16.883 1.00 0.00 O ATOM 0 HA2 GLY A 627 -2.457 3.453 -18.979 1.00 0.00 H new ATOM 0 HA3 GLY A 627 -0.971 2.592 -19.327 1.00 0.00 H new ATOM 10 N GLY A 628 -1.562 4.296 -16.538 1.00 0.00 N ATOM 11 CA GLY A 628 -1.377 4.274 -15.094 1.00 0.00 C ATOM 12 C GLY A 628 -2.145 5.378 -14.395 1.00 0.00 C ATOM 13 O GLY A 628 -2.134 6.527 -14.847 1.00 0.00 O ATOM 0 H GLY A 628 -2.047 5.122 -16.889 1.00 0.00 H new ATOM 0 HA2 GLY A 628 -1.699 3.308 -14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 628 -0.316 4.372 -14.865 1.00 0.00 H new ATOM 17 N ILE A 629 -2.810 5.023 -13.292 1.00 0.00 N ATOM 18 CA ILE A 629 -3.599 5.985 -12.510 1.00 0.00 C ATOM 19 C ILE A 629 -3.452 5.743 -11.004 1.00 0.00 C ATOM 20 O ILE A 629 -3.247 6.688 -10.237 1.00 0.00 O ATOM 21 CB ILE A 629 -5.110 5.978 -12.897 1.00 0.00 C ATOM 22 CG1 ILE A 629 -5.677 4.545 -13.012 1.00 0.00 C ATOM 23 CG2 ILE A 629 -5.316 6.737 -14.203 1.00 0.00 C ATOM 24 CD1 ILE A 629 -7.073 4.391 -12.439 1.00 0.00 C ATOM 0 H ILE A 629 -2.819 4.074 -12.918 1.00 0.00 H new ATOM 0 HA ILE A 629 -3.195 6.968 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 629 -5.657 6.476 -12.096 1.00 0.00 H new ATOM 0 HG12 ILE A 629 -5.691 4.253 -14.062 1.00 0.00 H new ATOM 0 HG13 ILE A 629 -5.006 3.856 -12.499 1.00 0.00 H new ATOM 0 HG21 ILE A 629 -6.374 6.728 -14.466 1.00 0.00 H new ATOM 0 HG22 ILE A 629 -4.981 7.767 -14.082 1.00 0.00 H new ATOM 0 HG23 ILE A 629 -4.740 6.260 -14.996 1.00 0.00 H new ATOM 0 HD11 ILE A 629 -7.403 3.359 -12.556 1.00 0.00 H new ATOM 0 HD12 ILE A 629 -7.062 4.650 -11.380 1.00 0.00 H new ATOM 0 HD13 ILE A 629 -7.758 5.053 -12.968 1.00 0.00 H new ATOM 36 N ARG A 630 -3.560 4.473 -10.597 1.00 0.00 N ATOM 37 CA ARG A 630 -3.445 4.090 -9.188 1.00 0.00 C ATOM 38 C ARG A 630 -2.464 2.937 -9.009 1.00 0.00 C ATOM 39 O ARG A 630 -2.394 2.037 -9.851 1.00 0.00 O ATOM 40 CB ARG A 630 -4.815 3.693 -8.629 1.00 0.00 C ATOM 41 CG ARG A 630 -5.719 4.875 -8.315 1.00 0.00 C ATOM 42 CD ARG A 630 -7.045 4.420 -7.729 1.00 0.00 C ATOM 43 NE ARG A 630 -7.914 5.551 -7.387 1.00 0.00 N ATOM 44 CZ ARG A 630 -9.050 5.455 -6.680 1.00 0.00 C ATOM 45 NH1 ARG A 630 -9.481 4.280 -6.224 1.00 0.00 N ATOM 46 NH2 ARG A 630 -9.758 6.547 -6.429 1.00 0.00 N ATOM 0 H ARG A 630 -3.728 3.690 -11.229 1.00 0.00 H new ATOM 0 HA ARG A 630 -3.068 4.953 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG A 630 -5.316 3.046 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 630 -4.670 3.108 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 630 -5.218 5.541 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 630 -5.899 5.449 -9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 630 -7.555 3.775 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 630 -6.860 3.822 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 630 -7.634 6.477 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 630 -8.945 3.433 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 630 -10.347 4.228 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 630 -9.438 7.452 -6.773 1.00 0.00 H new ATOM 0 HH22 ARG A 630 -10.623 6.482 -5.892 1.00 0.00 H new ATOM 60 N LYS A 631 -1.709 2.979 -7.905 1.00 0.00 N ATOM 61 CA LYS A 631 -0.729 1.937 -7.588 1.00 0.00 C ATOM 62 C LYS A 631 -1.311 0.953 -6.564 1.00 0.00 C ATOM 63 O LYS A 631 -0.763 0.751 -5.474 1.00 0.00 O ATOM 64 CB LYS A 631 0.579 2.563 -7.079 1.00 0.00 C ATOM 65 CG LYS A 631 1.418 3.204 -8.175 1.00 0.00 C ATOM 66 CD LYS A 631 2.812 3.549 -7.678 1.00 0.00 C ATOM 67 CE LYS A 631 3.622 4.266 -8.746 1.00 0.00 C ATOM 68 NZ LYS A 631 4.989 4.612 -8.268 1.00 0.00 N ATOM 0 H LYS A 631 -1.760 3.728 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 631 -0.500 1.382 -8.498 1.00 0.00 H new ATOM 0 HB2 LYS A 631 0.342 3.316 -6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 631 1.171 1.793 -6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 631 1.491 2.524 -9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 631 0.924 4.108 -8.532 1.00 0.00 H new ATOM 0 HD2 LYS A 631 2.738 4.179 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 631 3.329 2.637 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 631 3.696 3.634 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 631 3.102 5.175 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 5.080 5.645 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 5.149 4.184 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 5.694 4.249 -8.941 1.00 0.00 H new ATOM 82 N THR A 632 -2.441 0.344 -6.947 1.00 0.00 N ATOM 83 CA THR A 632 -3.160 -0.634 -6.113 1.00 0.00 C ATOM 84 C THR A 632 -2.416 -1.983 -6.020 1.00 0.00 C ATOM 85 O THR A 632 -2.388 -2.617 -4.963 1.00 0.00 O ATOM 86 CB THR A 632 -4.627 -0.848 -6.608 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.300 -1.804 -5.776 1.00 0.00 O ATOM 88 CG2 THR A 632 -4.703 -1.308 -8.068 1.00 0.00 C ATOM 0 H THR A 632 -2.886 0.515 -7.849 1.00 0.00 H new ATOM 0 HA THR A 632 -3.199 -0.211 -5.109 1.00 0.00 H new ATOM 0 HB THR A 632 -5.119 0.123 -6.542 1.00 0.00 H new ATOM 0 HG1 THR A 632 -6.218 -1.927 -6.096 1.00 0.00 H new ATOM 0 HG21 THR A 632 -5.746 -1.440 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 632 -4.242 -0.557 -8.710 1.00 0.00 H new ATOM 0 HG23 THR A 632 -4.174 -2.255 -8.179 1.00 0.00 H new ATOM 96 N ARG A 633 -1.844 -2.411 -7.151 1.00 0.00 N ATOM 97 CA ARG A 633 -1.119 -3.688 -7.263 1.00 0.00 C ATOM 98 C ARG A 633 0.016 -3.868 -6.237 1.00 0.00 C ATOM 99 O ARG A 633 0.147 -4.947 -5.661 1.00 0.00 O ATOM 100 CB ARG A 633 -0.546 -3.849 -8.680 1.00 0.00 C ATOM 101 CG ARG A 633 -1.596 -4.091 -9.763 1.00 0.00 C ATOM 102 CD ARG A 633 -2.087 -2.786 -10.376 1.00 0.00 C ATOM 103 NE ARG A 633 -3.123 -3.010 -11.391 1.00 0.00 N ATOM 104 CZ ARG A 633 -3.730 -2.039 -12.090 1.00 0.00 C ATOM 105 NH1 ARG A 633 -3.420 -0.758 -11.902 1.00 0.00 N ATOM 106 NH2 ARG A 633 -4.654 -2.358 -12.986 1.00 0.00 N ATOM 0 H ARG A 633 -1.870 -1.880 -8.021 1.00 0.00 H new ATOM 0 HA ARG A 633 -1.857 -4.460 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 633 0.020 -2.953 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 633 0.158 -4.681 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -1.174 -4.723 -10.544 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -2.440 -4.633 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -2.483 -2.143 -9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -1.246 -2.258 -10.827 1.00 0.00 H new ATOM 0 HE ARG A 633 -3.402 -3.973 -11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -2.710 -0.500 -11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -3.893 -0.034 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -4.899 -3.336 -13.140 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -5.120 -1.625 -13.521 1.00 0.00 H new ATOM 120 N GLU A 634 0.811 -2.815 -5.973 1.00 0.00 N ATOM 121 CA GLU A 634 1.940 -2.914 -5.070 1.00 0.00 C ATOM 122 C GLU A 634 1.468 -2.976 -3.636 1.00 0.00 C ATOM 123 O GLU A 634 1.972 -3.750 -2.862 1.00 0.00 O ATOM 124 CB GLU A 634 2.905 -1.734 -5.271 1.00 0.00 C ATOM 125 CG GLU A 634 3.629 -1.738 -6.617 1.00 0.00 C ATOM 126 CD GLU A 634 2.783 -1.177 -7.746 1.00 0.00 C ATOM 127 OE1 GLU A 634 2.765 0.060 -7.913 1.00 0.00 O ATOM 128 OE2 GLU A 634 2.141 -1.975 -8.459 1.00 0.00 O ATOM 0 H GLU A 634 0.680 -1.889 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 634 2.477 -3.835 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 634 2.347 -0.803 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 634 3.647 -1.746 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 634 4.546 -1.154 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 634 3.923 -2.759 -6.863 1.00 0.00 H new ATOM 135 N THR A 635 0.472 -2.157 -3.317 1.00 0.00 N ATOM 136 CA THR A 635 -0.071 -2.064 -1.963 1.00 0.00 C ATOM 137 C THR A 635 -0.939 -3.263 -1.513 1.00 0.00 C ATOM 138 O THR A 635 -0.589 -3.975 -0.568 1.00 0.00 O ATOM 139 CB THR A 635 -0.870 -0.750 -1.799 1.00 0.00 C ATOM 140 OG1 THR A 635 -1.556 -0.749 -0.550 1.00 0.00 O ATOM 141 CG2 THR A 635 -1.869 -0.525 -2.941 1.00 0.00 C ATOM 0 H THR A 635 0.017 -1.538 -3.988 1.00 0.00 H new ATOM 0 HA THR A 635 0.801 -2.078 -1.309 1.00 0.00 H new ATOM 0 HB THR A 635 -0.151 0.069 -1.829 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.295 -0.107 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 635 -2.404 0.411 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 635 -1.333 -0.476 -3.889 1.00 0.00 H new ATOM 0 HG23 THR A 635 -2.581 -1.350 -2.969 1.00 0.00 H new ATOM 149 N GLU A 636 -2.068 -3.469 -2.186 1.00 0.00 N ATOM 150 CA GLU A 636 -3.002 -4.527 -1.824 1.00 0.00 C ATOM 151 C GLU A 636 -2.501 -5.931 -2.203 1.00 0.00 C ATOM 152 O GLU A 636 -2.662 -6.860 -1.415 1.00 0.00 O ATOM 153 CB GLU A 636 -4.397 -4.185 -2.368 1.00 0.00 C ATOM 154 CG GLU A 636 -5.495 -5.192 -2.027 1.00 0.00 C ATOM 155 CD GLU A 636 -6.854 -4.774 -2.553 1.00 0.00 C ATOM 156 OE1 GLU A 636 -7.580 -4.065 -1.825 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.192 -5.155 -3.694 1.00 0.00 O ATOM 0 H GLU A 636 -2.358 -2.912 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.077 -4.573 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -4.690 -3.208 -1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -4.334 -4.094 -3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -5.232 -6.165 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -5.550 -5.312 -0.945 1.00 0.00 H new ATOM 164 N ARG A 637 -1.894 -6.086 -3.390 1.00 0.00 N ATOM 165 CA ARG A 637 -1.383 -7.396 -3.826 1.00 0.00 C ATOM 166 C ARG A 637 -0.117 -7.808 -3.051 1.00 0.00 C ATOM 167 O ARG A 637 0.031 -8.980 -2.692 1.00 0.00 O ATOM 168 CB ARG A 637 -1.119 -7.413 -5.335 1.00 0.00 C ATOM 169 CG ARG A 637 -1.353 -8.771 -5.988 1.00 0.00 C ATOM 170 CD ARG A 637 -1.075 -8.735 -7.485 1.00 0.00 C ATOM 171 NE ARG A 637 0.363 -8.682 -7.784 1.00 0.00 N ATOM 172 CZ ARG A 637 0.886 -8.653 -9.018 1.00 0.00 C ATOM 173 NH1 ARG A 637 0.106 -8.673 -10.098 1.00 0.00 N ATOM 174 NH2 ARG A 637 2.202 -8.601 -9.171 1.00 0.00 N ATOM 0 H ARG A 637 -1.746 -5.330 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.159 -8.129 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.762 -6.675 -5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.089 -7.106 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.712 -9.516 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -2.383 -9.084 -5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -1.509 -9.618 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -1.567 -7.867 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 637 1.010 -8.666 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.908 -8.711 -9.994 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.523 -8.650 -11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 637 2.810 -8.583 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 637 2.606 -8.579 -10.107 1.00 0.00 H new ATOM 188 N LEU A 638 0.794 -6.840 -2.801 1.00 0.00 N ATOM 189 CA LEU A 638 2.061 -7.103 -2.086 1.00 0.00 C ATOM 190 C LEU A 638 1.829 -7.701 -0.696 1.00 0.00 C ATOM 191 O LEU A 638 2.164 -8.854 -0.426 1.00 0.00 O ATOM 192 CB LEU A 638 2.872 -5.770 -1.998 1.00 0.00 C ATOM 193 CG LEU A 638 3.136 -5.106 -0.597 1.00 0.00 C ATOM 194 CD1 LEU A 638 4.365 -4.275 -0.687 1.00 0.00 C ATOM 195 CD2 LEU A 638 2.020 -4.172 -0.102 1.00 0.00 C ATOM 0 H LEU A 638 0.673 -5.868 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 638 2.630 -7.847 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.842 -5.949 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 638 2.356 -5.034 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 638 3.211 -5.936 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 638 4.560 -3.808 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 638 5.211 -4.905 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 638 4.227 -3.502 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 638 2.293 -3.763 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 638 1.885 -3.357 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.090 -4.733 -0.012 1.00 0.00 H new ATOM 207 N ARG A 639 1.204 -6.891 0.131 1.00 0.00 N ATOM 208 CA ARG A 639 0.894 -7.217 1.526 1.00 0.00 C ATOM 209 C ARG A 639 -0.097 -8.388 1.707 1.00 0.00 C ATOM 210 O ARG A 639 0.094 -9.198 2.619 1.00 0.00 O ATOM 211 CB ARG A 639 0.443 -5.930 2.247 1.00 0.00 C ATOM 212 CG ARG A 639 -0.221 -6.124 3.620 1.00 0.00 C ATOM 213 CD ARG A 639 0.730 -6.706 4.659 1.00 0.00 C ATOM 214 NE ARG A 639 0.162 -6.660 6.012 1.00 0.00 N ATOM 215 CZ ARG A 639 0.478 -7.508 7.002 1.00 0.00 C ATOM 216 NH1 ARG A 639 1.362 -8.488 6.817 1.00 0.00 N ATOM 217 NH2 ARG A 639 -0.097 -7.371 8.189 1.00 0.00 N ATOM 0 H ARG A 639 0.885 -5.962 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 639 1.806 -7.594 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 639 1.312 -5.285 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -0.256 -5.400 1.599 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -0.597 -5.165 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -1.082 -6.784 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 639 0.963 -7.738 4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 639 1.669 -6.153 4.641 1.00 0.00 H new ATOM 0 HE ARG A 639 -0.522 -5.931 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 639 1.812 -8.604 5.909 1.00 0.00 H new ATOM 0 HH12 ARG A 639 1.588 -9.122 7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -0.775 -6.625 8.344 1.00 0.00 H new ATOM 0 HH22 ARG A 639 0.138 -8.012 8.947 1.00 0.00 H new ATOM 231 N ARG A 640 -1.145 -8.472 0.864 1.00 0.00 N ATOM 232 CA ARG A 640 -2.158 -9.554 0.968 1.00 0.00 C ATOM 233 C ARG A 640 -1.517 -10.949 1.029 1.00 0.00 C ATOM 234 O ARG A 640 -1.959 -11.804 1.801 1.00 0.00 O ATOM 235 CB ARG A 640 -3.145 -9.499 -0.200 1.00 0.00 C ATOM 236 CG ARG A 640 -4.444 -8.780 0.131 1.00 0.00 C ATOM 237 CD ARG A 640 -5.431 -8.853 -1.024 1.00 0.00 C ATOM 238 NE ARG A 640 -6.688 -8.159 -0.720 1.00 0.00 N ATOM 239 CZ ARG A 640 -7.792 -8.212 -1.481 1.00 0.00 C ATOM 240 NH1 ARG A 640 -7.822 -8.924 -2.606 1.00 0.00 N ATOM 241 NH2 ARG A 640 -8.875 -7.544 -1.109 1.00 0.00 N ATOM 0 H ARG A 640 -1.316 -7.811 0.106 1.00 0.00 H new ATOM 0 HA ARG A 640 -2.693 -9.385 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -2.668 -9.000 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -3.374 -10.516 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -4.890 -9.224 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.234 -7.737 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -4.980 -8.413 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -5.641 -9.897 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 640 -6.725 -7.596 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -6.996 -9.442 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -8.671 -8.951 -3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -8.865 -6.995 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -9.718 -7.579 -1.682 1.00 0.00 H new ATOM 255 N GLN A 641 -0.478 -11.162 0.211 1.00 0.00 N ATOM 256 CA GLN A 641 0.242 -12.438 0.181 1.00 0.00 C ATOM 257 C GLN A 641 1.428 -12.412 1.154 1.00 0.00 C ATOM 258 O GLN A 641 1.591 -13.326 1.966 1.00 0.00 O ATOM 259 CB GLN A 641 0.724 -12.757 -1.242 1.00 0.00 C ATOM 260 CG GLN A 641 -0.394 -13.145 -2.200 1.00 0.00 C ATOM 261 CD GLN A 641 0.115 -13.463 -3.592 1.00 0.00 C ATOM 262 OE1 GLN A 641 0.443 -14.610 -3.899 1.00 0.00 O ATOM 263 NE2 GLN A 641 0.185 -12.446 -4.443 1.00 0.00 N ATOM 0 H GLN A 641 -0.118 -10.464 -0.440 1.00 0.00 H new ATOM 0 HA GLN A 641 -0.446 -13.223 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 641 1.246 -11.888 -1.642 1.00 0.00 H new ATOM 0 HB3 GLN A 641 1.448 -13.570 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -0.923 -14.012 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -1.116 -12.331 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -0.097 -11.512 -4.146 1.00 0.00 H new ATOM 0 HE22 GLN A 641 0.521 -12.599 -5.394 1.00 0.00 H new ATOM 272 N LEU A 642 2.253 -11.350 1.057 1.00 0.00 N ATOM 273 CA LEU A 642 3.437 -11.160 1.921 1.00 0.00 C ATOM 274 C LEU A 642 4.010 -9.752 1.738 1.00 0.00 C ATOM 275 O LEU A 642 4.318 -9.349 0.613 1.00 0.00 O ATOM 276 CB LEU A 642 4.536 -12.219 1.645 1.00 0.00 C ATOM 277 CG LEU A 642 4.716 -12.652 0.180 1.00 0.00 C ATOM 278 CD1 LEU A 642 5.744 -11.780 -0.523 1.00 0.00 C ATOM 279 CD2 LEU A 642 5.121 -14.116 0.103 1.00 0.00 C ATOM 0 H LEU A 642 2.118 -10.600 0.379 1.00 0.00 H new ATOM 0 HA LEU A 642 3.108 -11.287 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 642 5.487 -11.826 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 642 4.313 -13.106 2.238 1.00 0.00 H new ATOM 0 HG LEU A 642 3.760 -12.528 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 642 5.852 -12.107 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 642 5.414 -10.741 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 642 6.703 -11.866 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 642 5.244 -14.405 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 642 6.062 -14.261 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 642 4.347 -14.732 0.561 1.00 0.00 H new ATOM 291 N LEU A 643 4.161 -9.016 2.860 1.00 0.00 N ATOM 292 CA LEU A 643 4.690 -7.625 2.868 1.00 0.00 C ATOM 293 C LEU A 643 5.943 -7.500 1.992 1.00 0.00 C ATOM 294 O LEU A 643 6.933 -8.199 2.241 1.00 0.00 O ATOM 295 CB LEU A 643 5.036 -7.183 4.304 1.00 0.00 C ATOM 296 CG LEU A 643 4.056 -7.612 5.403 1.00 0.00 C ATOM 297 CD1 LEU A 643 4.536 -8.888 6.078 1.00 0.00 C ATOM 298 CD2 LEU A 643 3.876 -6.501 6.425 1.00 0.00 C ATOM 0 H LEU A 643 3.921 -9.365 3.788 1.00 0.00 H new ATOM 0 HA LEU A 643 3.909 -6.980 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 643 6.022 -7.574 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 643 5.111 -6.096 4.318 1.00 0.00 H new ATOM 0 HG LEU A 643 3.089 -7.811 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 643 3.828 -9.177 6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 643 4.609 -9.685 5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 643 5.515 -8.717 6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 643 3.177 -6.826 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 643 4.838 -6.268 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 643 3.484 -5.612 5.931 1.00 0.00 H new ATOM 310 N GLU A 644 5.911 -6.626 0.957 1.00 0.00 N ATOM 311 CA GLU A 644 7.073 -6.514 0.070 1.00 0.00 C ATOM 312 C GLU A 644 7.386 -5.125 -0.529 1.00 0.00 C ATOM 313 O GLU A 644 8.289 -4.450 -0.030 1.00 0.00 O ATOM 314 CB GLU A 644 6.982 -7.552 -1.067 1.00 0.00 C ATOM 315 CG GLU A 644 7.634 -8.888 -0.733 1.00 0.00 C ATOM 316 CD GLU A 644 9.151 -8.856 -0.836 1.00 0.00 C ATOM 317 OE1 GLU A 644 9.808 -8.541 0.179 1.00 0.00 O ATOM 318 OE2 GLU A 644 9.678 -9.146 -1.930 1.00 0.00 O ATOM 0 H GLU A 644 5.126 -6.017 0.729 1.00 0.00 H new ATOM 0 HA GLU A 644 7.910 -6.707 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 644 5.933 -7.721 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 644 7.453 -7.141 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 644 7.351 -9.181 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 644 7.246 -9.653 -1.406 1.00 0.00 H new ATOM 325 N VAL A 645 6.655 -4.687 -1.594 1.00 0.00 N ATOM 326 CA VAL A 645 7.077 -3.455 -2.302 1.00 0.00 C ATOM 327 C VAL A 645 6.773 -2.053 -1.653 1.00 0.00 C ATOM 328 O VAL A 645 7.597 -1.584 -0.859 1.00 0.00 O ATOM 329 CB VAL A 645 6.391 -3.517 -3.727 1.00 0.00 C ATOM 330 CG1 VAL A 645 6.732 -2.303 -4.595 1.00 0.00 C ATOM 331 CG2 VAL A 645 6.797 -4.790 -4.467 1.00 0.00 C ATOM 0 H VAL A 645 5.819 -5.142 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 645 8.167 -3.479 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 645 5.315 -3.516 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 645 6.236 -2.396 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 645 6.392 -1.394 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 645 7.811 -2.254 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 645 6.314 -4.813 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 645 7.879 -4.806 -4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 645 6.488 -5.661 -3.889 1.00 0.00 H new ATOM 341 N PHE A 646 5.551 -1.475 -1.832 1.00 0.00 N ATOM 342 CA PHE A 646 5.249 -0.133 -1.288 1.00 0.00 C ATOM 343 C PHE A 646 4.779 -0.148 0.135 1.00 0.00 C ATOM 344 O PHE A 646 5.428 0.338 1.059 1.00 0.00 O ATOM 345 CB PHE A 646 4.243 0.627 -2.159 1.00 0.00 C ATOM 346 CG PHE A 646 4.882 1.573 -3.141 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.225 2.862 -2.762 1.00 0.00 C ATOM 348 CD2 PHE A 646 5.138 1.174 -4.442 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.810 3.733 -3.661 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.723 2.040 -5.347 1.00 0.00 C ATOM 351 CZ PHE A 646 6.060 3.321 -4.955 1.00 0.00 C ATOM 0 H PHE A 646 4.780 -1.911 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 646 6.204 0.392 -1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.634 -0.093 -2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.569 1.189 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.032 3.189 -1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.877 0.173 -4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.071 4.734 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 646 5.916 1.716 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.518 3.999 -5.660 1.00 0.00 H new ATOM 361 N TRP A 647 3.598 -0.741 0.246 1.00 0.00 N ATOM 362 CA TRP A 647 2.860 -0.885 1.468 1.00 0.00 C ATOM 363 C TRP A 647 3.517 -1.940 2.367 1.00 0.00 C ATOM 364 O TRP A 647 3.637 -1.735 3.545 1.00 0.00 O ATOM 365 CB TRP A 647 1.372 -1.175 1.100 1.00 0.00 C ATOM 366 CG TRP A 647 0.375 -1.013 2.228 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.624 -0.087 2.278 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.257 -1.784 3.448 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.343 -0.216 3.438 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.827 -1.245 4.175 1.00 0.00 C ATOM 371 CE3 TRP A 647 0.952 -2.863 4.005 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.223 -1.745 5.415 1.00 0.00 C ATOM 373 CZ3 TRP A 647 0.554 -3.355 5.236 1.00 0.00 C ATOM 374 CH2 TRP A 647 -0.522 -2.796 5.927 1.00 0.00 C ATOM 0 H TRP A 647 3.117 -1.149 -0.556 1.00 0.00 H new ATOM 0 HA TRP A 647 2.873 0.029 2.061 1.00 0.00 H new ATOM 0 HB2 TRP A 647 1.082 -0.512 0.285 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.302 -2.195 0.721 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.822 0.646 1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -2.137 0.364 3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 647 1.787 -3.306 3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -2.056 -1.315 5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.087 -4.188 5.670 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -0.805 -3.204 6.886 1.00 0.00 H new ATOM 385 N GLY A 648 3.993 -3.030 1.789 1.00 0.00 N ATOM 386 CA GLY A 648 4.594 -4.115 2.565 1.00 0.00 C ATOM 387 C GLY A 648 6.052 -3.939 2.998 1.00 0.00 C ATOM 388 O GLY A 648 6.416 -4.508 4.029 1.00 0.00 O ATOM 0 H GLY A 648 3.977 -3.192 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 648 3.991 -4.264 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.524 -5.030 1.977 1.00 0.00 H new ATOM 392 N GLN A 649 6.900 -3.179 2.243 1.00 0.00 N ATOM 393 CA GLN A 649 8.341 -3.001 2.603 1.00 0.00 C ATOM 394 C GLN A 649 8.637 -3.214 4.119 1.00 0.00 C ATOM 395 O GLN A 649 9.022 -4.319 4.511 1.00 0.00 O ATOM 396 CB GLN A 649 8.851 -1.628 2.129 1.00 0.00 C ATOM 397 CG GLN A 649 10.176 -1.685 1.371 1.00 0.00 C ATOM 398 CD GLN A 649 11.379 -1.838 2.286 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.960 -0.851 2.737 1.00 0.00 O ATOM 400 NE2 GLN A 649 11.756 -3.081 2.563 1.00 0.00 N ATOM 0 H GLN A 649 6.617 -2.687 1.395 1.00 0.00 H new ATOM 0 HA GLN A 649 8.887 -3.786 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.096 -1.173 1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 649 8.967 -0.976 2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.151 -2.520 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 649 10.289 -0.776 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 649 11.244 -3.869 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 649 12.557 -3.247 3.172 1.00 0.00 H new ATOM 409 N ASP A 650 8.450 -2.169 4.955 1.00 0.00 N ATOM 410 CA ASP A 650 8.672 -2.251 6.420 1.00 0.00 C ATOM 411 C ASP A 650 7.809 -1.190 7.128 1.00 0.00 C ATOM 412 O ASP A 650 6.626 -1.424 7.387 1.00 0.00 O ATOM 413 CB ASP A 650 10.167 -2.074 6.774 1.00 0.00 C ATOM 414 CG ASP A 650 10.995 -3.306 6.466 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.482 -3.424 5.322 1.00 0.00 O ATOM 416 OD2 ASP A 650 11.158 -4.154 7.369 1.00 0.00 O ATOM 0 H ASP A 650 8.143 -1.249 4.638 1.00 0.00 H new ATOM 0 HA ASP A 650 8.376 -3.242 6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.568 -1.225 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.259 -1.836 7.834 1.00 0.00 H new ATOM 421 N HIS A 651 8.414 -0.023 7.437 1.00 0.00 N ATOM 422 CA HIS A 651 7.712 1.130 8.045 1.00 0.00 C ATOM 423 C HIS A 651 6.618 1.604 7.080 1.00 0.00 C ATOM 424 O HIS A 651 5.508 1.963 7.470 1.00 0.00 O ATOM 425 CB HIS A 651 8.694 2.274 8.382 1.00 0.00 C ATOM 426 CG HIS A 651 9.602 2.684 7.254 1.00 0.00 C ATOM 427 ND1 HIS A 651 10.893 2.215 7.118 1.00 0.00 N ATOM 428 CD2 HIS A 651 9.398 3.525 6.213 1.00 0.00 C ATOM 429 CE1 HIS A 651 11.442 2.751 6.042 1.00 0.00 C ATOM 430 NE2 HIS A 651 10.556 3.549 5.476 1.00 0.00 N ATOM 0 H HIS A 651 9.406 0.147 7.272 1.00 0.00 H new ATOM 0 HA HIS A 651 7.258 0.820 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 651 8.120 3.144 8.701 1.00 0.00 H new ATOM 0 HB3 HIS A 651 9.307 1.969 9.230 1.00 0.00 H new ATOM 0 HD2 HIS A 651 8.493 4.075 6.002 1.00 0.00 H new ATOM 0 HE1 HIS A 651 12.445 2.567 5.686 1.00 0.00 H new ATOM 0 HE2 HIS A 651 10.707 4.095 4.628 1.00 0.00 H new ATOM 439 N LYS A 652 6.995 1.509 5.804 1.00 0.00 N ATOM 440 CA LYS A 652 6.218 1.871 4.615 1.00 0.00 C ATOM 441 C LYS A 652 4.769 1.361 4.614 1.00 0.00 C ATOM 442 O LYS A 652 3.912 1.997 4.003 1.00 0.00 O ATOM 443 CB LYS A 652 6.939 1.390 3.360 1.00 0.00 C ATOM 444 CG LYS A 652 8.075 2.306 2.929 1.00 0.00 C ATOM 445 CD LYS A 652 8.639 1.900 1.577 1.00 0.00 C ATOM 446 CE LYS A 652 9.701 2.878 1.092 1.00 0.00 C ATOM 447 NZ LYS A 652 10.976 2.751 1.855 1.00 0.00 N ATOM 0 H LYS A 652 7.917 1.152 5.555 1.00 0.00 H new ATOM 0 HA LYS A 652 6.146 2.958 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.335 0.390 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.219 1.307 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 652 7.716 3.334 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 652 8.867 2.281 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.069 0.901 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 652 7.831 1.848 0.847 1.00 0.00 H new ATOM 0 HE2 LYS A 652 9.895 2.705 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 652 9.324 3.896 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 11.669 3.436 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 10.798 2.941 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 11.351 1.787 1.746 1.00 0.00 H new ATOM 461 N VAL A 653 4.501 0.214 5.276 1.00 0.00 N ATOM 462 CA VAL A 653 3.169 -0.452 5.233 1.00 0.00 C ATOM 463 C VAL A 653 2.010 0.547 5.375 1.00 0.00 C ATOM 464 O VAL A 653 1.266 0.736 4.427 1.00 0.00 O ATOM 465 CB VAL A 653 3.057 -1.543 6.375 1.00 0.00 C ATOM 466 CG1 VAL A 653 3.823 -2.808 6.019 1.00 0.00 C ATOM 467 CG2 VAL A 653 3.546 -1.031 7.738 1.00 0.00 C ATOM 0 H VAL A 653 5.188 -0.275 5.850 1.00 0.00 H new ATOM 0 HA VAL A 653 3.089 -0.926 4.255 1.00 0.00 H new ATOM 0 HB VAL A 653 1.994 -1.770 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 653 3.723 -3.533 6.826 1.00 0.00 H new ATOM 0 HG12 VAL A 653 3.419 -3.231 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 653 4.876 -2.567 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 653 3.445 -1.822 8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 653 4.592 -0.736 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 653 2.948 -0.171 8.040 1.00 0.00 H new ATOM 477 N ASP A 654 1.850 1.149 6.524 1.00 0.00 N ATOM 478 CA ASP A 654 0.888 2.226 6.730 1.00 0.00 C ATOM 479 C ASP A 654 1.465 3.556 6.206 1.00 0.00 C ATOM 480 O ASP A 654 0.756 4.457 5.759 1.00 0.00 O ATOM 481 CB ASP A 654 0.352 2.299 8.158 1.00 0.00 C ATOM 482 CG ASP A 654 1.430 2.302 9.232 1.00 0.00 C ATOM 483 OD1 ASP A 654 1.836 1.205 9.669 1.00 0.00 O ATOM 484 OD2 ASP A 654 1.864 3.401 9.635 1.00 0.00 O ATOM 0 H ASP A 654 2.385 0.911 7.359 1.00 0.00 H new ATOM 0 HA ASP A 654 -0.000 2.002 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 654 -0.250 3.201 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 654 -0.312 1.451 8.328 1.00 0.00 H new ATOM 489 N PHE A 655 2.801 3.622 6.310 1.00 0.00 N ATOM 490 CA PHE A 655 3.622 4.810 6.046 1.00 0.00 C ATOM 491 C PHE A 655 3.420 5.407 4.678 1.00 0.00 C ATOM 492 O PHE A 655 3.500 6.632 4.543 1.00 0.00 O ATOM 493 CB PHE A 655 5.103 4.543 6.284 1.00 0.00 C ATOM 494 CG PHE A 655 5.660 5.269 7.478 1.00 0.00 C ATOM 495 CD1 PHE A 655 5.632 4.687 8.736 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.214 6.532 7.340 1.00 0.00 C ATOM 497 CE1 PHE A 655 6.144 5.353 9.834 1.00 0.00 C ATOM 498 CE2 PHE A 655 6.727 7.202 8.435 1.00 0.00 C ATOM 499 CZ PHE A 655 6.692 6.612 9.683 1.00 0.00 C ATOM 0 H PHE A 655 3.360 2.816 6.592 1.00 0.00 H new ATOM 0 HA PHE A 655 3.271 5.550 6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.254 3.472 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.664 4.836 5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.206 3.703 8.860 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.245 6.998 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 655 6.116 4.889 10.809 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.155 8.186 8.314 1.00 0.00 H new ATOM 0 HZ PHE A 655 7.092 7.134 10.540 1.00 0.00 H new ATOM 509 N ILE A 656 3.170 4.559 3.659 1.00 0.00 N ATOM 510 CA ILE A 656 3.024 5.056 2.285 1.00 0.00 C ATOM 511 C ILE A 656 2.155 6.336 2.248 1.00 0.00 C ATOM 512 O ILE A 656 2.647 7.375 1.813 1.00 0.00 O ATOM 513 CB ILE A 656 2.404 3.994 1.269 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.873 2.695 1.899 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.463 3.555 0.264 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.912 2.872 3.031 1.00 0.00 C ATOM 0 H ILE A 656 3.068 3.549 3.762 1.00 0.00 H new ATOM 0 HA ILE A 656 4.041 5.268 1.956 1.00 0.00 H new ATOM 0 HB ILE A 656 1.562 4.526 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.386 2.108 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.722 2.111 2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 656 3.031 2.830 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.816 4.422 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.300 3.099 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.601 1.895 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.395 3.427 3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.038 3.423 2.684 1.00 0.00 H new ATOM 528 N LEU A 657 0.927 6.314 2.756 1.00 0.00 N ATOM 529 CA LEU A 657 0.083 7.526 2.737 1.00 0.00 C ATOM 530 C LEU A 657 0.534 8.596 3.754 1.00 0.00 C ATOM 531 O LEU A 657 0.541 9.788 3.430 1.00 0.00 O ATOM 532 CB LEU A 657 -1.392 7.142 2.931 1.00 0.00 C ATOM 533 CG LEU A 657 -2.425 8.295 2.995 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.759 7.859 2.413 1.00 0.00 C ATOM 535 CD2 LEU A 657 -2.630 8.766 4.431 1.00 0.00 C ATOM 0 H LEU A 657 0.492 5.494 3.180 1.00 0.00 H new ATOM 0 HA LEU A 657 0.201 7.989 1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -1.678 6.478 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.472 6.566 3.853 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.030 9.121 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -4.468 8.685 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -3.624 7.567 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -4.144 7.012 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -3.360 9.576 4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -2.994 7.937 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -1.683 9.123 4.836 1.00 0.00 H new ATOM 547 N GLN A 658 0.905 8.169 4.969 1.00 0.00 N ATOM 548 CA GLN A 658 1.317 9.096 6.044 1.00 0.00 C ATOM 549 C GLN A 658 2.540 9.954 5.676 1.00 0.00 C ATOM 550 O GLN A 658 3.638 9.435 5.450 1.00 0.00 O ATOM 551 CB GLN A 658 1.598 8.322 7.338 1.00 0.00 C ATOM 552 CG GLN A 658 0.349 7.785 8.020 1.00 0.00 C ATOM 553 CD GLN A 658 0.663 7.052 9.310 1.00 0.00 C ATOM 554 OE1 GLN A 658 0.889 5.842 9.311 1.00 0.00 O ATOM 555 NE2 GLN A 658 0.679 7.785 10.417 1.00 0.00 N ATOM 0 H GLN A 658 0.930 7.185 5.237 1.00 0.00 H new ATOM 0 HA GLN A 658 0.482 9.781 6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.264 7.489 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 658 2.127 8.975 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 658 -0.330 8.611 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 658 -0.171 7.111 7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 658 0.486 8.785 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 658 0.885 7.348 11.315 1.00 0.00 H new ATOM 564 N ARG A 659 2.311 11.287 5.620 1.00 0.00 N ATOM 565 CA ARG A 659 3.345 12.311 5.311 1.00 0.00 C ATOM 566 C ARG A 659 4.184 11.972 4.057 1.00 0.00 C ATOM 567 O ARG A 659 5.402 12.198 4.027 1.00 0.00 O ATOM 568 CB ARG A 659 4.254 12.528 6.541 1.00 0.00 C ATOM 569 CG ARG A 659 4.822 13.938 6.653 1.00 0.00 C ATOM 570 CD ARG A 659 5.722 14.078 7.869 1.00 0.00 C ATOM 571 NE ARG A 659 6.281 15.429 7.990 1.00 0.00 N ATOM 572 CZ ARG A 659 7.177 15.804 8.916 1.00 0.00 C ATOM 573 NH1 ARG A 659 7.633 14.939 9.821 1.00 0.00 N ATOM 574 NH2 ARG A 659 7.618 17.054 8.932 1.00 0.00 N ATOM 0 H ARG A 659 1.390 11.691 5.790 1.00 0.00 H new ATOM 0 HA ARG A 659 2.819 13.237 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 659 3.686 12.304 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 659 5.079 11.817 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 659 5.386 14.177 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 659 4.005 14.657 6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 659 5.155 13.839 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 659 6.535 13.355 7.803 1.00 0.00 H new ATOM 0 HE ARG A 659 5.966 16.133 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 659 7.301 13.974 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 659 8.314 15.241 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 659 7.276 17.724 8.243 1.00 0.00 H new ATOM 0 HH22 ARG A 659 8.299 17.346 9.633 1.00 0.00 H new ATOM 588 N GLU A 660 3.518 11.448 3.018 1.00 0.00 N ATOM 589 CA GLU A 660 4.194 11.077 1.766 1.00 0.00 C ATOM 590 C GLU A 660 3.304 11.359 0.534 1.00 0.00 C ATOM 591 O GLU A 660 2.088 11.499 0.686 1.00 0.00 O ATOM 592 CB GLU A 660 4.613 9.601 1.821 1.00 0.00 C ATOM 593 CG GLU A 660 5.894 9.374 2.613 1.00 0.00 C ATOM 594 CD GLU A 660 6.343 7.926 2.620 1.00 0.00 C ATOM 595 OE1 GLU A 660 5.741 7.120 3.358 1.00 0.00 O ATOM 596 OE2 GLU A 660 7.301 7.598 1.890 1.00 0.00 O ATOM 0 H GLU A 660 2.513 11.272 3.020 1.00 0.00 H new ATOM 0 HA GLU A 660 5.087 11.693 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 660 3.808 9.017 2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.750 9.230 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 660 6.688 9.992 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 660 5.742 9.706 3.640 1.00 0.00 H new ATOM 603 N PRO A 661 3.898 11.460 -0.714 1.00 0.00 N ATOM 604 CA PRO A 661 3.147 11.744 -1.975 1.00 0.00 C ATOM 605 C PRO A 661 1.832 10.963 -2.159 1.00 0.00 C ATOM 606 O PRO A 661 1.569 9.987 -1.453 1.00 0.00 O ATOM 607 CB PRO A 661 4.151 11.346 -3.057 1.00 0.00 C ATOM 608 CG PRO A 661 5.471 11.674 -2.465 1.00 0.00 C ATOM 609 CD PRO A 661 5.359 11.338 -1.002 1.00 0.00 C ATOM 0 HA PRO A 661 2.816 12.782 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 661 4.076 10.286 -3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 661 3.981 11.898 -3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 661 6.266 11.098 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.712 12.727 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 661 5.724 10.332 -0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 661 5.945 12.023 -0.389 1.00 0.00 H new ATOM 617 N TYR A 662 1.031 11.413 -3.147 1.00 0.00 N ATOM 618 CA TYR A 662 -0.286 10.827 -3.475 1.00 0.00 C ATOM 619 C TYR A 662 -0.225 9.327 -3.814 1.00 0.00 C ATOM 620 O TYR A 662 -1.095 8.553 -3.392 1.00 0.00 O ATOM 621 CB TYR A 662 -0.917 11.589 -4.647 1.00 0.00 C ATOM 622 CG TYR A 662 -1.341 13.001 -4.303 1.00 0.00 C ATOM 623 CD1 TYR A 662 -2.616 13.264 -3.816 1.00 0.00 C ATOM 624 CD2 TYR A 662 -0.467 14.069 -4.465 1.00 0.00 C ATOM 625 CE1 TYR A 662 -3.007 14.552 -3.501 1.00 0.00 C ATOM 626 CE2 TYR A 662 -0.851 15.359 -4.151 1.00 0.00 C ATOM 627 CZ TYR A 662 -2.122 15.595 -3.670 1.00 0.00 C ATOM 628 OH TYR A 662 -2.508 16.878 -3.357 1.00 0.00 O ATOM 0 H TYR A 662 1.282 12.200 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.897 10.923 -2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -0.204 11.625 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -1.786 11.035 -5.002 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -3.312 12.449 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 662 0.529 13.888 -4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -4.001 14.740 -3.124 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -0.159 16.178 -4.282 1.00 0.00 H new ATOM 0 HH TYR A 662 -1.767 17.495 -3.533 1.00 0.00 H new ATOM 638 N CYS A 663 0.800 8.925 -4.582 1.00 0.00 N ATOM 639 CA CYS A 663 0.987 7.521 -4.995 1.00 0.00 C ATOM 640 C CYS A 663 0.998 6.558 -3.796 1.00 0.00 C ATOM 641 O CYS A 663 0.369 5.493 -3.831 1.00 0.00 O ATOM 642 CB CYS A 663 2.289 7.378 -5.787 1.00 0.00 C ATOM 643 SG CYS A 663 2.334 8.345 -7.315 1.00 0.00 S ATOM 0 H CYS A 663 1.519 9.557 -4.933 1.00 0.00 H new ATOM 0 HA CYS A 663 0.139 7.252 -5.624 1.00 0.00 H new ATOM 0 HB2 CYS A 663 3.122 7.681 -5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 663 2.440 6.326 -6.031 1.00 0.00 H new ATOM 0 HG CYS A 663 3.474 8.160 -7.912 1.00 0.00 H new ATOM 649 N ARG A 664 1.675 6.982 -2.719 1.00 0.00 N ATOM 650 CA ARG A 664 1.814 6.204 -1.501 1.00 0.00 C ATOM 651 C ARG A 664 0.487 6.226 -0.754 1.00 0.00 C ATOM 652 O ARG A 664 0.074 5.239 -0.142 1.00 0.00 O ATOM 653 CB ARG A 664 2.999 6.717 -0.674 1.00 0.00 C ATOM 654 CG ARG A 664 4.339 6.572 -1.400 1.00 0.00 C ATOM 655 CD ARG A 664 5.529 6.854 -0.496 1.00 0.00 C ATOM 656 NE ARG A 664 6.713 6.084 -0.896 1.00 0.00 N ATOM 657 CZ ARG A 664 7.955 6.583 -0.986 1.00 0.00 C ATOM 658 NH1 ARG A 664 8.208 7.861 -0.709 1.00 0.00 N ATOM 659 NH2 ARG A 664 8.953 5.790 -1.354 1.00 0.00 N ATOM 0 H ARG A 664 2.143 7.887 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 664 2.043 5.162 -1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.837 7.766 -0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 664 3.041 6.171 0.269 1.00 0.00 H new ATOM 0 HG2 ARG A 664 4.423 5.562 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 664 4.363 7.255 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 664 5.762 7.919 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.268 6.611 0.534 1.00 0.00 H new ATOM 0 HE ARG A 664 6.582 5.098 -1.122 1.00 0.00 H new ATOM 0 HH11 ARG A 664 7.450 8.480 -0.422 1.00 0.00 H new ATOM 0 HH12 ARG A 664 9.160 8.220 -0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 664 8.773 4.809 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 664 9.900 6.162 -1.425 1.00 0.00 H new ATOM 673 N ASP A 665 -0.154 7.402 -0.812 1.00 0.00 N ATOM 674 CA ASP A 665 -1.481 7.648 -0.245 1.00 0.00 C ATOM 675 C ASP A 665 -2.484 6.586 -0.693 1.00 0.00 C ATOM 676 O ASP A 665 -3.334 6.172 0.079 1.00 0.00 O ATOM 677 CB ASP A 665 -1.998 9.034 -0.629 1.00 0.00 C ATOM 678 CG ASP A 665 -1.497 10.121 0.302 1.00 0.00 C ATOM 679 OD1 ASP A 665 -0.280 10.392 0.301 1.00 0.00 O ATOM 680 OD2 ASP A 665 -2.326 10.699 1.038 1.00 0.00 O ATOM 0 H ASP A 665 0.247 8.224 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.378 7.597 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.689 9.263 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -3.088 9.027 -0.620 1.00 0.00 H new ATOM 685 N ILE A 666 -2.319 6.130 -1.945 1.00 0.00 N ATOM 686 CA ILE A 666 -3.235 5.191 -2.586 1.00 0.00 C ATOM 687 C ILE A 666 -2.986 3.838 -1.977 1.00 0.00 C ATOM 688 O ILE A 666 -3.900 3.053 -1.779 1.00 0.00 O ATOM 689 CB ILE A 666 -3.070 5.135 -4.139 1.00 0.00 C ATOM 690 CG1 ILE A 666 -3.010 6.560 -4.733 1.00 0.00 C ATOM 691 CG2 ILE A 666 -4.226 4.345 -4.772 1.00 0.00 C ATOM 692 CD1 ILE A 666 -2.390 6.642 -6.119 1.00 0.00 C ATOM 0 H ILE A 666 -1.539 6.409 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.259 5.524 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 666 -2.133 4.627 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -4.021 6.964 -4.777 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -2.441 7.198 -4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -4.097 4.315 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -4.230 3.328 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -5.172 4.830 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -2.389 7.678 -6.457 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -1.365 6.272 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -2.970 6.034 -6.814 1.00 0.00 H new ATOM 704 N ASN A 667 -1.700 3.579 -1.745 1.00 0.00 N ATOM 705 CA ASN A 667 -1.241 2.349 -1.139 1.00 0.00 C ATOM 706 C ASN A 667 -1.924 2.078 0.228 1.00 0.00 C ATOM 707 O ASN A 667 -2.654 1.094 0.350 1.00 0.00 O ATOM 708 CB ASN A 667 0.277 2.395 -1.037 1.00 0.00 C ATOM 709 CG ASN A 667 0.973 2.073 -2.348 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.279 0.919 -2.638 1.00 0.00 O ATOM 711 ND2 ASN A 667 1.236 3.097 -3.145 1.00 0.00 N ATOM 0 H ASN A 667 -0.948 4.228 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 667 -1.527 1.507 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 667 0.583 3.387 -0.704 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.605 1.688 -0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 667 1.709 2.942 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 667 0.966 4.041 -2.869 1.00 0.00 H new ATOM 718 N GLN A 668 -1.724 2.951 1.245 1.00 0.00 N ATOM 719 CA GLN A 668 -2.397 2.789 2.570 1.00 0.00 C ATOM 720 C GLN A 668 -3.894 2.805 2.348 1.00 0.00 C ATOM 721 O GLN A 668 -4.652 2.036 2.931 1.00 0.00 O ATOM 722 CB GLN A 668 -2.053 3.951 3.494 1.00 0.00 C ATOM 723 CG GLN A 668 -1.862 3.618 4.966 1.00 0.00 C ATOM 724 CD GLN A 668 -2.753 4.450 5.870 1.00 0.00 C ATOM 725 OE1 GLN A 668 -3.951 3.952 6.150 1.00 0.00 O flip ATOM 726 NE2 GLN A 668 -2.367 5.532 6.312 1.00 0.00 N flip ATOM 0 H GLN A 668 -1.113 3.765 1.182 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.065 1.855 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.138 4.417 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -2.844 4.696 3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.073 2.561 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -0.819 3.780 5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.438 5.879 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -2.976 6.082 6.918 1.00 0.00 H new ATOM 735 N LEU A 669 -4.278 3.724 1.467 1.00 0.00 N ATOM 736 CA LEU A 669 -5.642 3.926 1.047 1.00 0.00 C ATOM 737 C LEU A 669 -6.241 2.605 0.567 1.00 0.00 C ATOM 738 O LEU A 669 -7.228 2.122 1.123 1.00 0.00 O ATOM 739 CB LEU A 669 -5.608 4.955 -0.080 1.00 0.00 C ATOM 740 CG LEU A 669 -6.653 6.079 -0.005 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.157 7.310 -0.747 1.00 0.00 C ATOM 742 CD2 LEU A 669 -7.988 5.621 -0.583 1.00 0.00 C ATOM 0 H LEU A 669 -3.621 4.363 1.018 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.264 4.283 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.617 5.409 -0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.737 4.430 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.803 6.334 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -6.907 8.098 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.228 7.657 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -5.980 7.058 -1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.711 6.434 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -7.854 5.337 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.355 4.764 -0.018 1.00 0.00 H new ATOM 754 N SER A 670 -5.569 1.985 -0.414 1.00 0.00 N ATOM 755 CA SER A 670 -6.025 0.715 -0.980 1.00 0.00 C ATOM 756 C SER A 670 -5.894 -0.452 0.014 1.00 0.00 C ATOM 757 O SER A 670 -6.913 -1.028 0.401 1.00 0.00 O ATOM 758 CB SER A 670 -5.268 0.402 -2.274 1.00 0.00 C ATOM 759 OG SER A 670 -5.503 1.394 -3.257 1.00 0.00 O ATOM 0 H SER A 670 -4.709 2.345 -0.829 1.00 0.00 H new ATOM 0 HA SER A 670 -7.086 0.828 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 670 -4.200 0.337 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 670 -5.579 -0.571 -2.654 1.00 0.00 H new ATOM 0 HG SER A 670 -5.147 2.253 -2.947 1.00 0.00 H new ATOM 765 N GLU A 671 -4.658 -0.799 0.444 1.00 0.00 N ATOM 766 CA GLU A 671 -4.478 -1.920 1.380 1.00 0.00 C ATOM 767 C GLU A 671 -4.893 -1.585 2.817 1.00 0.00 C ATOM 768 O GLU A 671 -5.823 -2.212 3.335 1.00 0.00 O ATOM 769 CB GLU A 671 -3.050 -2.480 1.356 1.00 0.00 C ATOM 770 CG GLU A 671 -2.978 -3.989 1.618 1.00 0.00 C ATOM 771 CD GLU A 671 -3.154 -4.363 3.081 1.00 0.00 C ATOM 772 OE1 GLU A 671 -2.291 -3.994 3.896 1.00 0.00 O ATOM 773 OE2 GLU A 671 -4.161 -5.027 3.406 1.00 0.00 O ATOM 0 H GLU A 671 -3.796 -0.330 0.164 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.155 -2.695 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -2.601 -2.266 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.452 -1.961 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -3.747 -4.488 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.016 -4.364 1.269 1.00 0.00 H new ATOM 780 N ALA A 672 -4.212 -0.611 3.471 1.00 0.00 N ATOM 781 CA ALA A 672 -4.547 -0.267 4.872 1.00 0.00 C ATOM 782 C ALA A 672 -6.032 0.072 5.134 1.00 0.00 C ATOM 783 O ALA A 672 -6.577 -0.380 6.144 1.00 0.00 O ATOM 784 CB ALA A 672 -3.679 0.861 5.363 1.00 0.00 C ATOM 0 H ALA A 672 -3.451 -0.066 3.065 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.351 -1.182 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.940 1.099 6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.632 0.562 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.835 1.740 4.737 1.00 0.00 H new ATOM 790 N LEU A 673 -6.692 0.852 4.247 1.00 0.00 N ATOM 791 CA LEU A 673 -8.102 1.233 4.468 1.00 0.00 C ATOM 792 C LEU A 673 -9.076 0.067 4.236 1.00 0.00 C ATOM 793 O LEU A 673 -10.021 -0.111 5.009 1.00 0.00 O ATOM 794 CB LEU A 673 -8.489 2.433 3.594 1.00 0.00 C ATOM 795 CG LEU A 673 -9.613 3.324 4.145 1.00 0.00 C ATOM 796 CD1 LEU A 673 -9.056 4.389 5.082 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.383 3.971 3.004 1.00 0.00 C ATOM 0 H LEU A 673 -6.280 1.222 3.390 1.00 0.00 H new ATOM 0 HA LEU A 673 -8.185 1.516 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.603 3.050 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.791 2.063 2.614 1.00 0.00 H new ATOM 0 HG LEU A 673 -10.296 2.695 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -9.872 5.006 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -8.549 3.908 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -8.347 5.016 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -11.176 4.599 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.705 4.582 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -10.821 3.196 2.375 1.00 0.00 H new ATOM 809 N LEU A 674 -8.839 -0.724 3.175 1.00 0.00 N ATOM 810 CA LEU A 674 -9.705 -1.868 2.837 1.00 0.00 C ATOM 811 C LEU A 674 -9.613 -2.992 3.883 1.00 0.00 C ATOM 812 O LEU A 674 -10.629 -3.586 4.250 1.00 0.00 O ATOM 813 CB LEU A 674 -9.351 -2.412 1.443 1.00 0.00 C ATOM 814 CG LEU A 674 -10.485 -3.129 0.693 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.345 -2.918 -0.806 1.00 0.00 C ATOM 816 CD2 LEU A 674 -10.489 -4.619 1.016 1.00 0.00 C ATOM 0 H LEU A 674 -8.055 -0.592 2.536 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.733 -1.507 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -9.003 -1.582 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -8.515 -3.104 1.546 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.433 -2.703 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.155 -3.432 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.390 -1.852 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.389 -3.319 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -11.300 -5.107 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -9.537 -5.059 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -10.633 -4.759 2.087 1.00 0.00 H new ATOM 828 N SER A 675 -8.387 -3.268 4.352 1.00 0.00 N ATOM 829 CA SER A 675 -8.131 -4.318 5.350 1.00 0.00 C ATOM 830 C SER A 675 -8.632 -3.928 6.751 1.00 0.00 C ATOM 831 O SER A 675 -9.205 -4.761 7.460 1.00 0.00 O ATOM 832 CB SER A 675 -6.633 -4.638 5.399 1.00 0.00 C ATOM 833 OG SER A 675 -6.378 -5.802 6.168 1.00 0.00 O ATOM 0 H SER A 675 -7.548 -2.772 4.052 1.00 0.00 H new ATOM 0 HA SER A 675 -8.688 -5.203 5.042 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.256 -4.779 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 675 -6.092 -3.793 5.825 1.00 0.00 H new ATOM 0 HG SER A 675 -5.415 -5.982 6.180 1.00 0.00 H new ATOM 839 N LEU A 676 -8.411 -2.659 7.135 1.00 0.00 N ATOM 840 CA LEU A 676 -8.818 -2.146 8.455 1.00 0.00 C ATOM 841 C LEU A 676 -10.342 -1.970 8.571 1.00 0.00 C ATOM 842 O LEU A 676 -10.928 -2.320 9.599 1.00 0.00 O ATOM 843 CB LEU A 676 -8.110 -0.809 8.739 1.00 0.00 C ATOM 844 CG LEU A 676 -7.981 -0.419 10.220 1.00 0.00 C ATOM 845 CD1 LEU A 676 -6.724 -1.022 10.835 1.00 0.00 C ATOM 846 CD2 LEU A 676 -7.974 1.095 10.371 1.00 0.00 C ATOM 0 H LEU A 676 -7.950 -1.966 6.546 1.00 0.00 H new ATOM 0 HA LEU A 676 -8.521 -2.887 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -7.111 -0.850 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -8.650 -0.017 8.220 1.00 0.00 H new ATOM 0 HG LEU A 676 -8.844 -0.819 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -6.656 -0.731 11.883 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -6.769 -2.109 10.762 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -5.847 -0.658 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -7.882 1.355 11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -7.131 1.512 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -8.904 1.504 9.976 1.00 0.00 H new ATOM 858 N ASN A 677 -10.971 -1.429 7.514 1.00 0.00 N ATOM 859 CA ASN A 677 -12.424 -1.200 7.496 1.00 0.00 C ATOM 860 C ASN A 677 -13.215 -2.510 7.363 1.00 0.00 C ATOM 861 O ASN A 677 -14.104 -2.783 8.174 1.00 0.00 O ATOM 862 CB ASN A 677 -12.799 -0.229 6.369 1.00 0.00 C ATOM 863 CG ASN A 677 -12.584 1.220 6.763 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.489 1.874 7.280 1.00 0.00 O ATOM 865 ND2 ASN A 677 -11.382 1.730 6.521 1.00 0.00 N ATOM 0 H ASN A 677 -10.494 -1.142 6.659 1.00 0.00 H new ATOM 0 HA ASN A 677 -12.694 -0.755 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.204 -0.455 5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.844 -0.378 6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -11.181 2.700 6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.660 1.152 6.091 1.00 0.00 H new ATOM 872 N PHE A 678 -12.884 -3.311 6.335 1.00 0.00 N ATOM 873 CA PHE A 678 -13.553 -4.598 6.090 1.00 0.00 C ATOM 874 C PHE A 678 -13.136 -5.659 7.116 1.00 0.00 C ATOM 875 O PHE A 678 -11.930 -5.987 7.179 1.00 0.00 O ATOM 876 CB PHE A 678 -13.265 -5.093 4.667 1.00 0.00 C ATOM 877 CG PHE A 678 -14.010 -4.336 3.602 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.464 -3.198 3.031 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.256 -4.764 3.173 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.146 -2.501 2.051 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.943 -4.071 2.194 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.387 -2.938 1.632 1.00 0.00 C ATOM 883 OXT PHE A 678 -14.021 -6.151 7.848 1.00 0.00 O ATOM 0 H PHE A 678 -12.154 -3.087 5.659 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.625 -4.434 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.195 -5.016 4.474 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.526 -6.149 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.494 -2.851 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.695 -5.649 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -13.709 -1.616 1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.914 -4.415 1.869 1.00 0.00 H new ATOM 0 HZ PHE A 678 -15.922 -2.395 0.867 1.00 0.00 H new TER 893 PHE A 678