USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=7 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 635 THR OG1 : rot -147:sc= -2.29 USER MOD Set 1.2: A 667 ASN : amide:sc= -6.01! C(o=-8.3!,f=-20!) USER MOD Set 2.1: A 632 THR OG1 : rot -90:sc= 0.63 USER MOD Set 2.2: A 670 SER OG : rot -130:sc= -1.08 USER MOD Single : A 631 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.1) USER MOD Single : A 641 GLN : amide:sc= -0.801 K(o=-0.8,f=-2.6) USER MOD Single : A 649 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.02) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 GLN : amide:sc= -0.0507 X(o=-0.051,f=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot -122:sc= -3.73! USER MOD Single : A 668 GLN : amide:sc= -2.19! C(o=-2.2!,f=-3.5!) USER MOD Single : A 675 SER OG : rot 140:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 1.11 K(o=1.1,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 2.613 8.515 -14.283 1.00 0.00 N ATOM 2 CA GLY A 627 2.726 7.565 -13.142 1.00 0.00 C ATOM 3 C GLY A 627 2.232 6.176 -13.494 1.00 0.00 C ATOM 4 O GLY A 627 2.966 5.387 -14.096 1.00 0.00 O ATOM 0 HA2 GLY A 627 3.767 7.507 -12.823 1.00 0.00 H new ATOM 0 HA3 GLY A 627 2.154 7.947 -12.297 1.00 0.00 H new ATOM 10 N GLY A 628 0.984 5.883 -13.113 1.00 0.00 N ATOM 11 CA GLY A 628 0.390 4.583 -13.390 1.00 0.00 C ATOM 12 C GLY A 628 -1.071 4.685 -13.782 1.00 0.00 C ATOM 13 O GLY A 628 -1.433 5.506 -14.629 1.00 0.00 O ATOM 0 H GLY A 628 0.373 6.530 -12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 628 0.945 4.097 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 628 0.483 3.949 -12.508 1.00 0.00 H new ATOM 17 N ILE A 629 -1.905 3.846 -13.160 1.00 0.00 N ATOM 18 CA ILE A 629 -3.347 3.829 -13.436 1.00 0.00 C ATOM 19 C ILE A 629 -4.167 3.850 -12.141 1.00 0.00 C ATOM 20 O ILE A 629 -5.100 4.647 -12.006 1.00 0.00 O ATOM 21 CB ILE A 629 -3.777 2.614 -14.314 1.00 0.00 C ATOM 22 CG1 ILE A 629 -3.125 1.294 -13.846 1.00 0.00 C ATOM 23 CG2 ILE A 629 -3.438 2.885 -15.776 1.00 0.00 C ATOM 24 CD1 ILE A 629 -4.057 0.098 -13.895 1.00 0.00 C ATOM 0 H ILE A 629 -1.606 3.167 -12.460 1.00 0.00 H new ATOM 0 HA ILE A 629 -3.554 4.737 -14.002 1.00 0.00 H new ATOM 0 HB ILE A 629 -4.855 2.494 -14.205 1.00 0.00 H new ATOM 0 HG12 ILE A 629 -2.254 1.089 -14.469 1.00 0.00 H new ATOM 0 HG13 ILE A 629 -2.765 1.420 -12.825 1.00 0.00 H new ATOM 0 HG21 ILE A 629 -3.741 2.032 -16.384 1.00 0.00 H new ATOM 0 HG22 ILE A 629 -3.967 3.777 -16.113 1.00 0.00 H new ATOM 0 HG23 ILE A 629 -2.364 3.040 -15.878 1.00 0.00 H new ATOM 0 HD11 ILE A 629 -3.527 -0.791 -13.552 1.00 0.00 H new ATOM 0 HD12 ILE A 629 -4.917 0.280 -13.250 1.00 0.00 H new ATOM 0 HD13 ILE A 629 -4.398 -0.056 -14.919 1.00 0.00 H new ATOM 36 N ARG A 630 -3.808 2.968 -11.199 1.00 0.00 N ATOM 37 CA ARG A 630 -4.501 2.873 -9.908 1.00 0.00 C ATOM 38 C ARG A 630 -3.501 2.775 -8.754 1.00 0.00 C ATOM 39 O ARG A 630 -3.681 3.419 -7.717 1.00 0.00 O ATOM 40 CB ARG A 630 -5.447 1.663 -9.884 1.00 0.00 C ATOM 41 CG ARG A 630 -6.651 1.799 -10.806 1.00 0.00 C ATOM 42 CD ARG A 630 -7.514 0.547 -10.783 1.00 0.00 C ATOM 43 NE ARG A 630 -8.666 0.655 -11.685 1.00 0.00 N ATOM 44 CZ ARG A 630 -9.549 -0.327 -11.918 1.00 0.00 C ATOM 45 NH1 ARG A 630 -9.433 -1.513 -11.322 1.00 0.00 N ATOM 46 NH2 ARG A 630 -10.556 -0.118 -12.755 1.00 0.00 N ATOM 0 H ARG A 630 -3.038 2.308 -11.308 1.00 0.00 H new ATOM 0 HA ARG A 630 -5.089 3.782 -9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 630 -4.887 0.771 -10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 630 -5.799 1.510 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 630 -7.248 2.659 -10.503 1.00 0.00 H new ATOM 0 HG3 ARG A 630 -6.311 1.990 -11.824 1.00 0.00 H new ATOM 0 HD2 ARG A 630 -6.910 -0.314 -11.068 1.00 0.00 H new ATOM 0 HD3 ARG A 630 -7.865 0.368 -9.767 1.00 0.00 H new ATOM 0 HE ARG A 630 -8.805 1.541 -12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 630 -8.663 -1.686 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 630 -10.114 -2.248 -11.512 1.00 0.00 H new ATOM 0 HH21 ARG A 630 -10.656 0.786 -13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 630 -11.231 -0.861 -12.936 1.00 0.00 H new ATOM 60 N LYS A 631 -2.441 1.954 -8.947 1.00 0.00 N ATOM 61 CA LYS A 631 -1.364 1.733 -7.943 1.00 0.00 C ATOM 62 C LYS A 631 -1.868 1.005 -6.674 1.00 0.00 C ATOM 63 O LYS A 631 -1.130 0.855 -5.693 1.00 0.00 O ATOM 64 CB LYS A 631 -0.659 3.058 -7.583 1.00 0.00 C ATOM 65 CG LYS A 631 0.206 3.606 -8.709 1.00 0.00 C ATOM 66 CD LYS A 631 0.614 5.046 -8.452 1.00 0.00 C ATOM 67 CE LYS A 631 1.384 5.626 -9.628 1.00 0.00 C ATOM 68 NZ LYS A 631 1.775 7.043 -9.392 1.00 0.00 N ATOM 0 H LYS A 631 -2.305 1.422 -9.807 1.00 0.00 H new ATOM 0 HA LYS A 631 -0.634 1.072 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 631 -1.411 3.801 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 631 -0.039 2.903 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 631 1.098 2.989 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 631 -0.340 3.545 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 631 -0.274 5.649 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 631 1.229 5.096 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 631 2.278 5.028 -9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 631 0.773 5.563 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 1.576 7.605 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 1.232 7.424 -8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 2.791 7.091 -9.175 1.00 0.00 H new ATOM 82 N THR A 632 -3.127 0.544 -6.725 1.00 0.00 N ATOM 83 CA THR A 632 -3.777 -0.199 -5.627 1.00 0.00 C ATOM 84 C THR A 632 -3.216 -1.632 -5.499 1.00 0.00 C ATOM 85 O THR A 632 -3.052 -2.160 -4.400 1.00 0.00 O ATOM 86 CB THR A 632 -5.332 -0.226 -5.788 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.932 -0.930 -4.692 1.00 0.00 O ATOM 88 CG2 THR A 632 -5.783 -0.865 -7.107 1.00 0.00 C ATOM 0 H THR A 632 -3.731 0.676 -7.536 1.00 0.00 H new ATOM 0 HA THR A 632 -3.546 0.335 -4.705 1.00 0.00 H new ATOM 0 HB THR A 632 -5.661 0.813 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 632 -6.008 -1.881 -4.916 1.00 0.00 H new ATOM 0 HG21 THR A 632 -6.872 -0.856 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 632 -5.372 -0.300 -7.944 1.00 0.00 H new ATOM 0 HG23 THR A 632 -5.426 -1.894 -7.153 1.00 0.00 H new ATOM 96 N ARG A 633 -2.957 -2.239 -6.660 1.00 0.00 N ATOM 97 CA ARG A 633 -2.444 -3.613 -6.793 1.00 0.00 C ATOM 98 C ARG A 633 -1.206 -3.928 -5.934 1.00 0.00 C ATOM 99 O ARG A 633 -1.104 -5.035 -5.402 1.00 0.00 O ATOM 100 CB ARG A 633 -2.122 -3.909 -8.261 1.00 0.00 C ATOM 101 CG ARG A 633 -3.353 -4.123 -9.131 1.00 0.00 C ATOM 102 CD ARG A 633 -2.971 -4.439 -10.568 1.00 0.00 C ATOM 103 NE ARG A 633 -4.149 -4.663 -11.413 1.00 0.00 N ATOM 104 CZ ARG A 633 -4.106 -5.071 -12.690 1.00 0.00 C ATOM 105 NH1 ARG A 633 -2.945 -5.308 -13.299 1.00 0.00 N ATOM 106 NH2 ARG A 633 -5.236 -5.242 -13.361 1.00 0.00 N ATOM 0 H ARG A 633 -3.101 -1.780 -7.559 1.00 0.00 H new ATOM 0 HA ARG A 633 -3.243 -4.255 -6.421 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -1.540 -3.083 -8.669 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -1.493 -4.798 -8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -3.950 -4.939 -8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -3.977 -3.229 -9.107 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -2.383 -3.617 -10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -2.337 -5.325 -10.588 1.00 0.00 H new ATOM 0 HE ARG A 633 -5.067 -4.497 -11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -2.068 -5.180 -12.793 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -2.933 -5.618 -14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -6.131 -5.063 -12.906 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -5.210 -5.552 -14.332 1.00 0.00 H new ATOM 120 N GLU A 634 -0.270 -2.968 -5.793 1.00 0.00 N ATOM 121 CA GLU A 634 0.973 -3.203 -5.077 1.00 0.00 C ATOM 122 C GLU A 634 0.746 -3.289 -3.582 1.00 0.00 C ATOM 123 O GLU A 634 1.329 -4.135 -2.933 1.00 0.00 O ATOM 124 CB GLU A 634 1.996 -2.101 -5.388 1.00 0.00 C ATOM 125 CG GLU A 634 2.579 -2.165 -6.797 1.00 0.00 C ATOM 126 CD GLU A 634 1.654 -1.580 -7.850 1.00 0.00 C ATOM 127 OE1 GLU A 634 1.749 -0.362 -8.113 1.00 0.00 O ATOM 128 OE2 GLU A 634 0.836 -2.339 -8.410 1.00 0.00 O ATOM 0 H GLU A 634 -0.364 -2.025 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 634 1.367 -4.161 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.521 -1.130 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.811 -2.164 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.528 -1.628 -6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 634 2.795 -3.203 -7.048 1.00 0.00 H new ATOM 135 N THR A 635 -0.119 -2.415 -3.059 1.00 0.00 N ATOM 136 CA THR A 635 -0.405 -2.340 -1.623 1.00 0.00 C ATOM 137 C THR A 635 -1.245 -3.504 -1.058 1.00 0.00 C ATOM 138 O THR A 635 -0.859 -4.106 -0.053 1.00 0.00 O ATOM 139 CB THR A 635 -1.058 -0.983 -1.263 1.00 0.00 C ATOM 140 OG1 THR A 635 -1.209 -0.880 0.144 1.00 0.00 O ATOM 141 CG2 THR A 635 -2.417 -0.753 -1.932 1.00 0.00 C ATOM 0 H THR A 635 -0.640 -1.740 -3.618 1.00 0.00 H new ATOM 0 HA THR A 635 0.569 -2.429 -1.142 1.00 0.00 H new ATOM 0 HB THR A 635 -0.385 -0.214 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.013 -0.358 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 635 -2.811 0.218 -1.631 1.00 0.00 H new ATOM 0 HG22 THR A 635 -2.298 -0.777 -3.015 1.00 0.00 H new ATOM 0 HG23 THR A 635 -3.110 -1.536 -1.626 1.00 0.00 H new ATOM 149 N GLU A 636 -2.379 -3.813 -1.698 1.00 0.00 N ATOM 150 CA GLU A 636 -3.276 -4.871 -1.213 1.00 0.00 C ATOM 151 C GLU A 636 -2.700 -6.278 -1.425 1.00 0.00 C ATOM 152 O GLU A 636 -2.815 -7.127 -0.541 1.00 0.00 O ATOM 153 CB GLU A 636 -4.695 -4.695 -1.779 1.00 0.00 C ATOM 154 CG GLU A 636 -4.795 -4.655 -3.304 1.00 0.00 C ATOM 155 CD GLU A 636 -6.226 -4.530 -3.790 1.00 0.00 C ATOM 156 OE1 GLU A 636 -6.718 -3.387 -3.900 1.00 0.00 O ATOM 157 OE2 GLU A 636 -6.855 -5.575 -4.061 1.00 0.00 O ATOM 0 H GLU A 636 -2.697 -3.349 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.357 -4.765 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.317 -5.512 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -5.114 -3.771 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -4.212 -3.815 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.352 -5.561 -3.718 1.00 0.00 H new ATOM 164 N ARG A 637 -2.078 -6.514 -2.587 1.00 0.00 N ATOM 165 CA ARG A 637 -1.421 -7.801 -2.883 1.00 0.00 C ATOM 166 C ARG A 637 -0.164 -7.939 -1.998 1.00 0.00 C ATOM 167 O ARG A 637 0.147 -9.012 -1.480 1.00 0.00 O ATOM 168 CB ARG A 637 -1.048 -7.881 -4.372 1.00 0.00 C ATOM 169 CG ARG A 637 -0.970 -9.301 -4.919 1.00 0.00 C ATOM 170 CD ARG A 637 -0.612 -9.309 -6.396 1.00 0.00 C ATOM 171 NE ARG A 637 -0.541 -10.672 -6.937 1.00 0.00 N ATOM 172 CZ ARG A 637 -0.297 -10.973 -8.221 1.00 0.00 C ATOM 173 NH1 ARG A 637 -0.093 -10.017 -9.126 1.00 0.00 N ATOM 174 NH2 ARG A 637 -0.256 -12.243 -8.599 1.00 0.00 N ATOM 0 H ARG A 637 -2.014 -5.831 -3.342 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.106 -8.620 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.783 -7.320 -4.950 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.085 -7.392 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.225 -9.867 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -1.927 -9.802 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -1.354 -8.736 -6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 637 0.347 -8.812 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 637 -0.688 -11.446 -6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.121 -9.036 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 637 0.091 -10.266 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -0.410 -12.984 -7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.071 -12.479 -9.574 1.00 0.00 H new ATOM 188 N LEU A 638 0.530 -6.802 -1.855 1.00 0.00 N ATOM 189 CA LEU A 638 1.760 -6.634 -1.059 1.00 0.00 C ATOM 190 C LEU A 638 1.614 -7.155 0.370 1.00 0.00 C ATOM 191 O LEU A 638 2.271 -8.114 0.781 1.00 0.00 O ATOM 192 CB LEU A 638 2.025 -5.107 -1.093 1.00 0.00 C ATOM 193 CG LEU A 638 2.765 -4.369 0.045 1.00 0.00 C ATOM 194 CD1 LEU A 638 3.293 -3.104 -0.532 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.893 -3.999 1.242 1.00 0.00 C ATOM 0 H LEU A 638 0.240 -5.936 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 638 2.589 -7.213 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 638 2.582 -4.907 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 638 1.054 -4.624 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 638 3.531 -5.047 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 638 3.826 -2.547 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 638 3.975 -3.334 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 638 2.466 -2.502 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 638 2.499 -3.485 1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 638 1.086 -3.343 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.471 -4.904 1.678 1.00 0.00 H new ATOM 207 N ARG A 639 0.719 -6.498 1.078 1.00 0.00 N ATOM 208 CA ARG A 639 0.414 -6.792 2.483 1.00 0.00 C ATOM 209 C ARG A 639 -0.322 -8.136 2.670 1.00 0.00 C ATOM 210 O ARG A 639 -0.010 -8.876 3.607 1.00 0.00 O ATOM 211 CB ARG A 639 -0.359 -5.600 3.086 1.00 0.00 C ATOM 212 CG ARG A 639 -0.527 -5.655 4.610 1.00 0.00 C ATOM 213 CD ARG A 639 -1.829 -6.333 5.020 1.00 0.00 C ATOM 214 NE ARG A 639 -1.986 -6.384 6.478 1.00 0.00 N ATOM 215 CZ ARG A 639 -3.016 -6.959 7.116 1.00 0.00 C ATOM 216 NH1 ARG A 639 -4.004 -7.545 6.442 1.00 0.00 N ATOM 217 NH2 ARG A 639 -3.055 -6.946 8.442 1.00 0.00 N ATOM 0 H ARG A 639 0.168 -5.729 0.696 1.00 0.00 H new ATOM 0 HA ARG A 639 1.351 -6.916 3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 639 0.159 -4.677 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.346 -5.553 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 639 0.314 -6.192 5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -0.503 -4.643 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -2.671 -5.796 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -1.853 -7.345 4.617 1.00 0.00 H new ATOM 0 HE ARG A 639 -1.259 -5.951 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -3.986 -7.562 5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -4.779 -7.977 6.946 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -2.305 -6.501 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -3.835 -7.381 8.934 1.00 0.00 H new ATOM 231 N ARG A 640 -1.285 -8.447 1.788 1.00 0.00 N ATOM 232 CA ARG A 640 -2.047 -9.710 1.878 1.00 0.00 C ATOM 233 C ARG A 640 -1.164 -10.936 1.600 1.00 0.00 C ATOM 234 O ARG A 640 -1.278 -11.955 2.288 1.00 0.00 O ATOM 235 CB ARG A 640 -3.240 -9.699 0.917 1.00 0.00 C ATOM 236 CG ARG A 640 -4.409 -8.856 1.403 1.00 0.00 C ATOM 237 CD ARG A 640 -5.582 -8.921 0.439 1.00 0.00 C ATOM 238 NE ARG A 640 -6.725 -8.129 0.908 1.00 0.00 N ATOM 239 CZ ARG A 640 -7.950 -8.160 0.364 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.222 -8.942 -0.679 1.00 0.00 N ATOM 241 NH2 ARG A 640 -8.911 -7.400 0.872 1.00 0.00 N ATOM 0 H ARG A 640 -1.556 -7.848 1.008 1.00 0.00 H new ATOM 0 HA ARG A 640 -2.414 -9.785 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -2.911 -9.324 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -3.581 -10.723 0.763 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -4.725 -9.204 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.089 -7.821 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.267 -8.559 -0.540 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -5.889 -9.959 0.311 1.00 0.00 H new ATOM 0 HE ARG A 640 -6.577 -7.510 1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.492 -9.532 -1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.160 -8.951 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -8.716 -6.797 1.671 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -9.845 -7.418 0.463 1.00 0.00 H new ATOM 255 N GLN A 641 -0.290 -10.823 0.591 1.00 0.00 N ATOM 256 CA GLN A 641 0.622 -11.909 0.217 1.00 0.00 C ATOM 257 C GLN A 641 2.001 -11.724 0.872 1.00 0.00 C ATOM 258 O GLN A 641 2.215 -10.763 1.619 1.00 0.00 O ATOM 259 CB GLN A 641 0.741 -11.987 -1.315 1.00 0.00 C ATOM 260 CG GLN A 641 -0.370 -12.790 -1.987 1.00 0.00 C ATOM 261 CD GLN A 641 -1.712 -12.074 -1.994 1.00 0.00 C ATOM 262 OE1 GLN A 641 -2.036 -11.347 -2.931 1.00 0.00 O ATOM 263 NE2 GLN A 641 -2.497 -12.279 -0.943 1.00 0.00 N ATOM 0 H GLN A 641 -0.196 -9.985 0.017 1.00 0.00 H new ATOM 0 HA GLN A 641 0.213 -12.851 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 641 0.740 -10.975 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 641 1.702 -12.432 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -0.079 -13.011 -3.014 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -0.479 -13.746 -1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -2.188 -12.891 -0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 641 -3.409 -11.825 -0.891 1.00 0.00 H new ATOM 272 N LEU A 642 2.931 -12.653 0.584 1.00 0.00 N ATOM 273 CA LEU A 642 4.292 -12.624 1.149 1.00 0.00 C ATOM 274 C LEU A 642 5.167 -11.512 0.549 1.00 0.00 C ATOM 275 O LEU A 642 6.115 -11.057 1.195 1.00 0.00 O ATOM 276 CB LEU A 642 4.978 -13.982 0.943 1.00 0.00 C ATOM 277 CG LEU A 642 4.377 -15.156 1.728 1.00 0.00 C ATOM 278 CD1 LEU A 642 4.589 -16.460 0.976 1.00 0.00 C ATOM 279 CD2 LEU A 642 4.989 -15.245 3.122 1.00 0.00 C ATOM 0 H LEU A 642 2.762 -13.440 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 642 4.183 -12.412 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 642 4.949 -14.226 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 642 6.028 -13.884 1.219 1.00 0.00 H new ATOM 0 HG LEU A 642 3.306 -14.982 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 642 4.157 -17.283 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 642 4.105 -16.401 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 642 5.657 -16.633 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 642 4.548 -16.084 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 642 6.066 -15.393 3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 642 4.791 -14.321 3.666 1.00 0.00 H new ATOM 291 N LEU A 643 4.844 -11.082 -0.679 1.00 0.00 N ATOM 292 CA LEU A 643 5.604 -10.026 -1.360 1.00 0.00 C ATOM 293 C LEU A 643 5.015 -8.642 -1.060 1.00 0.00 C ATOM 294 O LEU A 643 4.060 -8.204 -1.707 1.00 0.00 O ATOM 295 CB LEU A 643 5.646 -10.284 -2.877 1.00 0.00 C ATOM 296 CG LEU A 643 6.443 -11.520 -3.319 1.00 0.00 C ATOM 297 CD1 LEU A 643 5.881 -12.076 -4.617 1.00 0.00 C ATOM 298 CD2 LEU A 643 7.920 -11.182 -3.486 1.00 0.00 C ATOM 0 H LEU A 643 4.062 -11.450 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 643 6.625 -10.044 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 643 4.623 -10.386 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.071 -9.407 -3.365 1.00 0.00 H new ATOM 0 HG LEU A 643 6.351 -12.279 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 643 6.457 -12.952 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 643 4.839 -12.360 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 643 5.944 -11.316 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 643 8.464 -12.073 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 643 8.032 -10.404 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 643 8.322 -10.827 -2.537 1.00 0.00 H new ATOM 310 N GLU A 644 5.604 -7.971 -0.062 1.00 0.00 N ATOM 311 CA GLU A 644 5.173 -6.636 0.378 1.00 0.00 C ATOM 312 C GLU A 644 5.929 -5.536 -0.398 1.00 0.00 C ATOM 313 O GLU A 644 7.071 -5.203 -0.055 1.00 0.00 O ATOM 314 CB GLU A 644 5.428 -6.519 1.878 1.00 0.00 C ATOM 315 CG GLU A 644 4.285 -7.014 2.742 1.00 0.00 C ATOM 316 CD GLU A 644 4.603 -6.953 4.223 1.00 0.00 C ATOM 317 OE1 GLU A 644 5.184 -7.928 4.746 1.00 0.00 O ATOM 318 OE2 GLU A 644 4.272 -5.932 4.861 1.00 0.00 O ATOM 0 H GLU A 644 6.396 -8.339 0.465 1.00 0.00 H new ATOM 0 HA GLU A 644 4.110 -6.503 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 644 6.328 -7.082 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 644 5.627 -5.475 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.397 -6.415 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.046 -8.042 2.468 1.00 0.00 H new ATOM 325 N VAL A 645 5.300 -4.987 -1.458 1.00 0.00 N ATOM 326 CA VAL A 645 6.006 -4.013 -2.331 1.00 0.00 C ATOM 327 C VAL A 645 6.151 -2.515 -1.819 1.00 0.00 C ATOM 328 O VAL A 645 7.156 -2.191 -1.171 1.00 0.00 O ATOM 329 CB VAL A 645 5.225 -4.055 -3.698 1.00 0.00 C ATOM 330 CG1 VAL A 645 5.645 -2.947 -4.669 1.00 0.00 C ATOM 331 CG2 VAL A 645 5.414 -5.409 -4.376 1.00 0.00 C ATOM 0 H VAL A 645 4.337 -5.189 -1.728 1.00 0.00 H new ATOM 0 HA VAL A 645 7.050 -4.322 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 645 4.176 -3.894 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 645 5.069 -3.033 -5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 645 5.458 -1.974 -4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 645 6.707 -3.044 -4.895 1.00 0.00 H new ATOM 0 HG21 VAL A 645 4.868 -5.423 -5.319 1.00 0.00 H new ATOM 0 HG22 VAL A 645 6.474 -5.575 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 645 5.035 -6.197 -3.726 1.00 0.00 H new ATOM 341 N PHE A 646 5.084 -1.668 -1.969 1.00 0.00 N ATOM 342 CA PHE A 646 5.096 -0.245 -1.545 1.00 0.00 C ATOM 343 C PHE A 646 4.793 -0.060 -0.082 1.00 0.00 C ATOM 344 O PHE A 646 5.523 0.576 0.649 1.00 0.00 O ATOM 345 CB PHE A 646 4.136 0.623 -2.366 1.00 0.00 C ATOM 346 CG PHE A 646 4.758 1.230 -3.595 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.442 2.434 -3.519 1.00 0.00 C ATOM 348 CD2 PHE A 646 4.658 0.599 -4.825 1.00 0.00 C ATOM 349 CE1 PHE A 646 6.013 2.996 -4.645 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.227 1.156 -5.954 1.00 0.00 C ATOM 351 CZ PHE A 646 5.906 2.356 -5.864 1.00 0.00 C ATOM 0 H PHE A 646 4.200 -1.959 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 646 6.119 0.084 -1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.281 0.017 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.753 1.423 -1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.530 2.939 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.129 -0.339 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.542 3.935 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 646 5.141 0.654 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.352 2.793 -6.745 1.00 0.00 H new ATOM 361 N TRP A 647 3.593 -0.537 0.234 1.00 0.00 N ATOM 362 CA TRP A 647 2.956 -0.506 1.532 1.00 0.00 C ATOM 363 C TRP A 647 3.656 -1.402 2.587 1.00 0.00 C ATOM 364 O TRP A 647 3.634 -1.059 3.758 1.00 0.00 O ATOM 365 CB TRP A 647 1.441 -0.808 1.334 1.00 0.00 C ATOM 366 CG TRP A 647 0.569 -0.669 2.577 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.438 0.224 2.718 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.594 -1.424 3.823 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.027 0.111 3.949 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.420 -0.888 4.645 1.00 0.00 C ATOM 371 CE3 TRP A 647 1.360 -2.482 4.334 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -0.682 -1.367 5.928 1.00 0.00 C ATOM 373 CZ3 TRP A 647 1.097 -2.952 5.607 1.00 0.00 C ATOM 374 CH2 TRP A 647 0.084 -2.396 6.390 1.00 0.00 C ATOM 0 H TRP A 647 3.003 -0.987 -0.466 1.00 0.00 H new ATOM 0 HA TRP A 647 3.058 0.489 1.964 1.00 0.00 H new ATOM 0 HB2 TRP A 647 1.054 -0.139 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.339 -1.824 0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.738 0.932 1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.798 0.685 4.290 1.00 0.00 H new ATOM 0 HE3 TRP A 647 2.146 -2.924 3.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.465 -0.938 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.687 -3.765 6.004 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -0.096 -2.788 7.380 1.00 0.00 H new ATOM 385 N GLY A 648 4.210 -2.566 2.219 1.00 0.00 N ATOM 386 CA GLY A 648 4.812 -3.427 3.238 1.00 0.00 C ATOM 387 C GLY A 648 6.314 -3.750 3.124 1.00 0.00 C ATOM 388 O GLY A 648 6.774 -4.610 3.881 1.00 0.00 O ATOM 0 H GLY A 648 4.253 -2.920 1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 648 4.645 -2.961 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.268 -4.371 3.240 1.00 0.00 H new ATOM 392 N GLN A 649 7.101 -3.112 2.218 1.00 0.00 N ATOM 393 CA GLN A 649 8.556 -3.428 2.125 1.00 0.00 C ATOM 394 C GLN A 649 9.343 -3.200 3.451 1.00 0.00 C ATOM 395 O GLN A 649 10.089 -4.088 3.873 1.00 0.00 O ATOM 396 CB GLN A 649 9.222 -2.643 0.981 1.00 0.00 C ATOM 397 CG GLN A 649 10.182 -3.470 0.129 1.00 0.00 C ATOM 398 CD GLN A 649 11.521 -3.713 0.804 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.696 -4.694 1.527 1.00 0.00 O ATOM 400 NE2 GLN A 649 12.474 -2.819 0.568 1.00 0.00 N ATOM 0 H GLN A 649 6.772 -2.402 1.564 1.00 0.00 H new ATOM 0 HA GLN A 649 8.602 -4.497 1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.445 -2.232 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.765 -1.798 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 649 9.719 -4.429 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 649 10.348 -2.960 -0.820 1.00 0.00 H new ATOM 0 HE21 GLN A 649 12.285 -2.021 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 649 13.395 -2.931 0.993 1.00 0.00 H new ATOM 409 N ASP A 650 9.175 -2.024 4.097 1.00 0.00 N ATOM 410 CA ASP A 650 9.885 -1.696 5.363 1.00 0.00 C ATOM 411 C ASP A 650 8.958 -0.938 6.355 1.00 0.00 C ATOM 412 O ASP A 650 7.800 -1.319 6.517 1.00 0.00 O ATOM 413 CB ASP A 650 11.153 -0.874 5.052 1.00 0.00 C ATOM 414 CG ASP A 650 12.212 -1.684 4.326 1.00 0.00 C ATOM 415 OD1 ASP A 650 13.028 -2.340 5.006 1.00 0.00 O ATOM 416 OD2 ASP A 650 12.224 -1.661 3.077 1.00 0.00 O ATOM 0 H ASP A 650 8.555 -1.284 3.766 1.00 0.00 H new ATOM 0 HA ASP A 650 10.178 -2.628 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.882 -0.011 4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 650 11.570 -0.490 5.983 1.00 0.00 H new ATOM 421 N HIS A 651 9.493 0.064 7.089 1.00 0.00 N ATOM 422 CA HIS A 651 8.698 0.886 8.031 1.00 0.00 C ATOM 423 C HIS A 651 7.811 1.918 7.287 1.00 0.00 C ATOM 424 O HIS A 651 6.588 1.944 7.446 1.00 0.00 O ATOM 425 CB HIS A 651 9.631 1.590 9.031 1.00 0.00 C ATOM 426 CG HIS A 651 8.972 1.950 10.330 1.00 0.00 C ATOM 427 ND1 HIS A 651 8.533 3.224 10.625 1.00 0.00 N ATOM 428 CD2 HIS A 651 8.679 1.193 11.415 1.00 0.00 C ATOM 429 CE1 HIS A 651 8.001 3.235 11.834 1.00 0.00 C ATOM 430 NE2 HIS A 651 8.077 2.016 12.333 1.00 0.00 N ATOM 0 H HIS A 651 10.478 0.324 7.047 1.00 0.00 H new ATOM 0 HA HIS A 651 8.029 0.220 8.576 1.00 0.00 H new ATOM 0 HB2 HIS A 651 10.484 0.942 9.235 1.00 0.00 H new ATOM 0 HB3 HIS A 651 10.023 2.497 8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 651 8.881 0.139 11.535 1.00 0.00 H new ATOM 0 HE1 HIS A 651 7.576 4.095 12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 651 7.742 1.731 13.253 1.00 0.00 H new ATOM 439 N LYS A 652 8.480 2.757 6.476 1.00 0.00 N ATOM 440 CA LYS A 652 7.876 3.839 5.651 1.00 0.00 C ATOM 441 C LYS A 652 6.701 3.379 4.764 1.00 0.00 C ATOM 442 O LYS A 652 5.778 4.140 4.479 1.00 0.00 O ATOM 443 CB LYS A 652 8.956 4.523 4.784 1.00 0.00 C ATOM 444 CG LYS A 652 9.808 3.577 3.934 1.00 0.00 C ATOM 445 CD LYS A 652 10.838 4.339 3.114 1.00 0.00 C ATOM 446 CE LYS A 652 11.681 3.399 2.268 1.00 0.00 C ATOM 447 NZ LYS A 652 12.693 4.135 1.460 1.00 0.00 N ATOM 0 H LYS A 652 9.493 2.705 6.367 1.00 0.00 H new ATOM 0 HA LYS A 652 7.457 4.550 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 652 8.468 5.239 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 652 9.617 5.092 5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 652 10.314 2.861 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.163 3.004 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 652 10.332 5.057 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 652 11.485 4.910 3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 652 12.185 2.682 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 652 11.032 2.828 1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 13.247 3.458 0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 12.211 4.802 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 13.329 4.660 2.094 1.00 0.00 H new ATOM 461 N VAL A 653 6.815 2.161 4.276 1.00 0.00 N ATOM 462 CA VAL A 653 5.871 1.535 3.343 1.00 0.00 C ATOM 463 C VAL A 653 4.365 1.613 3.743 1.00 0.00 C ATOM 464 O VAL A 653 3.616 2.216 3.018 1.00 0.00 O ATOM 465 CB VAL A 653 6.310 0.072 3.099 1.00 0.00 C ATOM 466 CG1 VAL A 653 7.644 0.037 2.368 1.00 0.00 C ATOM 467 CG2 VAL A 653 6.405 -0.712 4.396 1.00 0.00 C ATOM 0 H VAL A 653 7.593 1.548 4.521 1.00 0.00 H new ATOM 0 HA VAL A 653 5.919 2.121 2.425 1.00 0.00 H new ATOM 0 HB VAL A 653 5.547 -0.401 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 653 7.941 -0.999 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 653 7.546 0.544 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 653 8.401 0.540 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 653 6.716 -1.734 4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 653 7.136 -0.241 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 653 5.431 -0.724 4.886 1.00 0.00 H new ATOM 477 N ASP A 654 3.922 1.005 4.870 1.00 0.00 N ATOM 478 CA ASP A 654 2.489 1.086 5.346 1.00 0.00 C ATOM 479 C ASP A 654 2.102 2.552 5.533 1.00 0.00 C ATOM 480 O ASP A 654 0.946 2.970 5.479 1.00 0.00 O ATOM 481 CB ASP A 654 2.211 0.262 6.612 1.00 0.00 C ATOM 482 CG ASP A 654 3.131 0.591 7.782 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.781 1.487 8.579 1.00 0.00 O ATOM 484 OD2 ASP A 654 4.197 -0.048 7.897 1.00 0.00 O ATOM 0 H ASP A 654 4.524 0.449 5.477 1.00 0.00 H new ATOM 0 HA ASP A 654 1.863 0.635 4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 654 1.178 0.425 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 654 2.310 -0.797 6.373 1.00 0.00 H new ATOM 489 N PHE A 655 3.159 3.243 5.860 1.00 0.00 N ATOM 490 CA PHE A 655 3.256 4.668 6.137 1.00 0.00 C ATOM 491 C PHE A 655 2.913 5.450 4.876 1.00 0.00 C ATOM 492 O PHE A 655 2.500 6.609 4.953 1.00 0.00 O ATOM 493 CB PHE A 655 4.626 5.059 6.707 1.00 0.00 C ATOM 494 CG PHE A 655 4.590 6.254 7.623 1.00 0.00 C ATOM 495 CD1 PHE A 655 4.268 6.110 8.965 1.00 0.00 C ATOM 496 CD2 PHE A 655 4.881 7.520 7.142 1.00 0.00 C ATOM 497 CE1 PHE A 655 4.236 7.205 9.806 1.00 0.00 C ATOM 498 CE2 PHE A 655 4.852 8.619 7.979 1.00 0.00 C ATOM 499 CZ PHE A 655 4.528 8.462 9.313 1.00 0.00 C ATOM 0 H PHE A 655 4.067 2.787 5.951 1.00 0.00 H new ATOM 0 HA PHE A 655 2.535 4.922 6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.038 4.209 7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.306 5.268 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 655 4.040 5.130 9.357 1.00 0.00 H new ATOM 0 HD2 PHE A 655 5.134 7.650 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 655 3.983 7.079 10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 655 5.082 9.600 7.591 1.00 0.00 H new ATOM 0 HZ PHE A 655 4.503 9.320 9.969 1.00 0.00 H new ATOM 509 N ILE A 656 3.111 4.782 3.703 1.00 0.00 N ATOM 510 CA ILE A 656 2.966 5.394 2.375 1.00 0.00 C ATOM 511 C ILE A 656 1.837 6.447 2.265 1.00 0.00 C ATOM 512 O ILE A 656 2.130 7.568 1.841 1.00 0.00 O ATOM 513 CB ILE A 656 2.604 4.283 1.274 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.876 3.016 1.811 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.859 3.817 0.543 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.717 3.301 2.689 1.00 0.00 C ATOM 0 H ILE A 656 3.377 3.798 3.667 1.00 0.00 H new ATOM 0 HA ILE A 656 3.930 5.876 2.210 1.00 0.00 H new ATOM 0 HB ILE A 656 1.907 4.796 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.536 2.421 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.592 2.407 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 656 3.590 3.064 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 656 4.326 4.666 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.559 3.387 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.270 2.363 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.050 3.868 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 656 -0.023 3.882 2.138 1.00 0.00 H new ATOM 528 N LEU A 657 0.605 6.179 2.679 1.00 0.00 N ATOM 529 CA LEU A 657 -0.440 7.208 2.531 1.00 0.00 C ATOM 530 C LEU A 657 -0.262 8.369 3.521 1.00 0.00 C ATOM 531 O LEU A 657 -0.503 9.524 3.155 1.00 0.00 O ATOM 532 CB LEU A 657 -1.876 6.631 2.511 1.00 0.00 C ATOM 533 CG LEU A 657 -3.009 7.555 3.054 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.336 8.685 2.086 1.00 0.00 C ATOM 535 CD2 LEU A 657 -4.271 6.770 3.361 1.00 0.00 C ATOM 0 H LEU A 657 0.304 5.302 3.103 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.300 7.635 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -2.120 6.361 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.881 5.709 3.093 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.631 7.991 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -4.130 9.304 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -2.447 9.295 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -3.665 8.266 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -5.038 7.447 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -4.628 6.286 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -4.054 6.013 4.115 1.00 0.00 H new ATOM 547 N GLN A 658 0.134 8.063 4.767 1.00 0.00 N ATOM 548 CA GLN A 658 0.365 9.093 5.808 1.00 0.00 C ATOM 549 C GLN A 658 1.345 10.203 5.348 1.00 0.00 C ATOM 550 O GLN A 658 1.514 11.213 6.039 1.00 0.00 O ATOM 551 CB GLN A 658 0.894 8.437 7.089 1.00 0.00 C ATOM 552 CG GLN A 658 -0.161 7.661 7.864 1.00 0.00 C ATOM 553 CD GLN A 658 0.393 7.023 9.123 1.00 0.00 C ATOM 554 OE1 GLN A 658 0.388 7.629 10.194 1.00 0.00 O ATOM 555 NE2 GLN A 658 0.875 5.791 9.000 1.00 0.00 N ATOM 0 H GLN A 658 0.303 7.109 5.085 1.00 0.00 H new ATOM 0 HA GLN A 658 -0.597 9.569 5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 658 1.710 7.763 6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 658 1.311 9.209 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 658 -0.978 8.332 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 658 -0.581 6.886 7.223 1.00 0.00 H new ATOM 0 HE21 GLN A 658 0.859 5.325 8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 658 1.261 5.311 9.813 1.00 0.00 H new ATOM 564 N ARG A 659 1.976 9.997 4.177 1.00 0.00 N ATOM 565 CA ARG A 659 2.919 10.959 3.593 1.00 0.00 C ATOM 566 C ARG A 659 2.178 11.945 2.662 1.00 0.00 C ATOM 567 O ARG A 659 0.980 12.183 2.847 1.00 0.00 O ATOM 568 CB ARG A 659 4.036 10.209 2.839 1.00 0.00 C ATOM 569 CG ARG A 659 4.966 9.409 3.742 1.00 0.00 C ATOM 570 CD ARG A 659 6.205 8.929 2.997 1.00 0.00 C ATOM 571 NE ARG A 659 7.155 10.019 2.737 1.00 0.00 N ATOM 572 CZ ARG A 659 8.468 9.852 2.516 1.00 0.00 C ATOM 573 NH1 ARG A 659 9.019 8.639 2.519 1.00 0.00 N ATOM 574 NH2 ARG A 659 9.233 10.911 2.291 1.00 0.00 N ATOM 0 H ARG A 659 1.844 9.158 3.612 1.00 0.00 H new ATOM 0 HA ARG A 659 3.378 11.540 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 659 3.581 9.534 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 659 4.627 10.931 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 659 5.267 10.025 4.590 1.00 0.00 H new ATOM 0 HG3 ARG A 659 4.430 8.550 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 659 6.698 8.151 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 659 5.906 8.477 2.051 1.00 0.00 H new ATOM 0 HE ARG A 659 6.790 10.971 2.723 1.00 0.00 H new ATOM 0 HH11 ARG A 659 8.441 7.817 2.691 1.00 0.00 H new ATOM 0 HH12 ARG A 659 10.019 8.533 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 659 8.823 11.845 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 659 10.232 10.792 2.122 1.00 0.00 H new ATOM 588 N GLU A 660 2.889 12.514 1.671 1.00 0.00 N ATOM 589 CA GLU A 660 2.299 13.483 0.736 1.00 0.00 C ATOM 590 C GLU A 660 2.057 12.915 -0.687 1.00 0.00 C ATOM 591 O GLU A 660 1.016 13.224 -1.272 1.00 0.00 O ATOM 592 CB GLU A 660 3.177 14.737 0.648 1.00 0.00 C ATOM 593 CG GLU A 660 3.055 15.656 1.854 1.00 0.00 C ATOM 594 CD GLU A 660 3.948 16.877 1.749 1.00 0.00 C ATOM 595 OE1 GLU A 660 5.111 16.803 2.198 1.00 0.00 O ATOM 596 OE2 GLU A 660 3.485 17.908 1.216 1.00 0.00 O ATOM 0 H GLU A 660 3.875 12.317 1.499 1.00 0.00 H new ATOM 0 HA GLU A 660 1.319 13.732 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.218 14.434 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 660 2.910 15.294 -0.250 1.00 0.00 H new ATOM 0 HG2 GLU A 660 2.018 15.976 1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.310 15.101 2.757 1.00 0.00 H new ATOM 603 N PRO A 661 2.991 12.087 -1.288 1.00 0.00 N ATOM 604 CA PRO A 661 2.813 11.536 -2.665 1.00 0.00 C ATOM 605 C PRO A 661 1.479 10.810 -2.895 1.00 0.00 C ATOM 606 O PRO A 661 0.887 10.268 -1.960 1.00 0.00 O ATOM 607 CB PRO A 661 3.974 10.550 -2.807 1.00 0.00 C ATOM 608 CG PRO A 661 5.020 11.068 -1.891 1.00 0.00 C ATOM 609 CD PRO A 661 4.283 11.630 -0.709 1.00 0.00 C ATOM 0 HA PRO A 661 2.803 12.343 -3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 661 3.672 9.539 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 661 4.334 10.507 -3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 661 5.702 10.274 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.622 11.835 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 661 4.132 10.877 0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 661 4.830 12.453 -0.250 1.00 0.00 H new ATOM 617 N TYR A 662 1.032 10.806 -4.164 1.00 0.00 N ATOM 618 CA TYR A 662 -0.237 10.174 -4.574 1.00 0.00 C ATOM 619 C TYR A 662 -0.169 8.636 -4.562 1.00 0.00 C ATOM 620 O TYR A 662 -1.108 7.972 -4.110 1.00 0.00 O ATOM 621 CB TYR A 662 -0.636 10.659 -5.973 1.00 0.00 C ATOM 622 CG TYR A 662 -1.048 12.115 -6.021 1.00 0.00 C ATOM 623 CD1 TYR A 662 -0.112 13.114 -6.255 1.00 0.00 C ATOM 624 CD2 TYR A 662 -2.373 12.488 -5.831 1.00 0.00 C ATOM 625 CE1 TYR A 662 -0.485 14.444 -6.299 1.00 0.00 C ATOM 626 CE2 TYR A 662 -2.753 13.816 -5.873 1.00 0.00 C ATOM 627 CZ TYR A 662 -1.806 14.790 -6.108 1.00 0.00 C ATOM 628 OH TYR A 662 -2.181 16.113 -6.151 1.00 0.00 O ATOM 0 H TYR A 662 1.540 11.241 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.989 10.471 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 662 0.202 10.506 -6.653 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -1.460 10.046 -6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 662 0.924 12.847 -6.405 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -3.118 11.728 -5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.255 15.209 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -3.787 14.090 -5.722 1.00 0.00 H new ATOM 0 HH TYR A 662 -3.146 16.185 -5.998 1.00 0.00 H new ATOM 638 N CYS A 663 0.953 8.086 -5.056 1.00 0.00 N ATOM 639 CA CYS A 663 1.175 6.627 -5.133 1.00 0.00 C ATOM 640 C CYS A 663 1.146 5.953 -3.753 1.00 0.00 C ATOM 641 O CYS A 663 0.577 4.869 -3.588 1.00 0.00 O ATOM 642 CB CYS A 663 2.519 6.347 -5.820 1.00 0.00 C ATOM 643 SG CYS A 663 2.879 4.591 -6.076 1.00 0.00 S ATOM 0 H CYS A 663 1.733 8.638 -5.414 1.00 0.00 H new ATOM 0 HA CYS A 663 0.357 6.203 -5.715 1.00 0.00 H new ATOM 0 HB2 CYS A 663 2.531 6.852 -6.786 1.00 0.00 H new ATOM 0 HB3 CYS A 663 3.317 6.785 -5.221 1.00 0.00 H new ATOM 0 HG CYS A 663 4.001 4.289 -5.493 1.00 0.00 H new ATOM 649 N ARG A 664 1.761 6.612 -2.769 1.00 0.00 N ATOM 650 CA ARG A 664 1.845 6.112 -1.409 1.00 0.00 C ATOM 651 C ARG A 664 0.474 6.268 -0.741 1.00 0.00 C ATOM 652 O ARG A 664 -0.001 5.397 0.017 1.00 0.00 O ATOM 653 CB ARG A 664 2.966 6.845 -0.642 1.00 0.00 C ATOM 654 CG ARG A 664 4.324 6.825 -1.340 1.00 0.00 C ATOM 655 CD ARG A 664 5.423 7.365 -0.440 1.00 0.00 C ATOM 656 NE ARG A 664 6.735 7.336 -1.097 1.00 0.00 N ATOM 657 CZ ARG A 664 7.880 6.969 -0.502 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.903 6.591 0.775 1.00 0.00 N ATOM 659 NH2 ARG A 664 9.010 6.980 -1.195 1.00 0.00 N ATOM 0 H ARG A 664 2.216 7.515 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 664 2.105 5.053 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.666 7.881 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 664 3.071 6.392 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 664 4.566 5.805 -1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 664 4.274 7.420 -2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 664 5.185 8.389 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.463 6.776 0.476 1.00 0.00 H new ATOM 0 HE ARG A 664 6.780 7.615 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 664 7.040 6.577 1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.784 6.315 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 664 9.005 7.266 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 664 9.884 6.702 -0.749 1.00 0.00 H new ATOM 673 N ASP A 665 -0.137 7.419 -1.060 1.00 0.00 N ATOM 674 CA ASP A 665 -1.469 7.812 -0.609 1.00 0.00 C ATOM 675 C ASP A 665 -2.513 6.723 -0.874 1.00 0.00 C ATOM 676 O ASP A 665 -3.369 6.466 -0.036 1.00 0.00 O ATOM 677 CB ASP A 665 -1.889 9.105 -1.311 1.00 0.00 C ATOM 678 CG ASP A 665 -1.774 10.326 -0.416 1.00 0.00 C ATOM 679 OD1 ASP A 665 -0.660 10.608 0.072 1.00 0.00 O ATOM 680 OD2 ASP A 665 -2.805 10.998 -0.198 1.00 0.00 O ATOM 0 H ASP A 665 0.301 8.120 -1.658 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.419 7.967 0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.270 9.250 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -2.919 9.008 -1.655 1.00 0.00 H new ATOM 685 N ILE A 666 -2.388 6.066 -2.039 1.00 0.00 N ATOM 686 CA ILE A 666 -3.339 5.064 -2.493 1.00 0.00 C ATOM 687 C ILE A 666 -3.107 3.776 -1.730 1.00 0.00 C ATOM 688 O ILE A 666 -4.030 3.059 -1.402 1.00 0.00 O ATOM 689 CB ILE A 666 -3.304 4.862 -4.053 1.00 0.00 C ATOM 690 CG1 ILE A 666 -4.598 4.194 -4.554 1.00 0.00 C ATOM 691 CG2 ILE A 666 -2.089 4.064 -4.526 1.00 0.00 C ATOM 692 CD1 ILE A 666 -5.721 5.171 -4.846 1.00 0.00 C ATOM 0 H ILE A 666 -1.617 6.223 -2.688 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.348 5.416 -2.279 1.00 0.00 H new ATOM 0 HB ILE A 666 -3.222 5.860 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -4.377 3.629 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -4.938 3.477 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -2.122 3.959 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -1.176 4.587 -4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -2.101 3.076 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -6.597 4.624 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -5.972 5.719 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -5.402 5.873 -5.616 1.00 0.00 H new ATOM 704 N ASN A 667 -1.826 3.506 -1.501 1.00 0.00 N ATOM 705 CA ASN A 667 -1.362 2.308 -0.833 1.00 0.00 C ATOM 706 C ASN A 667 -2.062 2.001 0.520 1.00 0.00 C ATOM 707 O ASN A 667 -2.759 0.991 0.600 1.00 0.00 O ATOM 708 CB ASN A 667 0.133 2.451 -0.662 1.00 0.00 C ATOM 709 CG ASN A 667 0.933 1.646 -1.665 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.367 0.534 -1.379 1.00 0.00 O ATOM 711 ND2 ASN A 667 1.131 2.209 -2.852 1.00 0.00 N ATOM 0 H ASN A 667 -1.070 4.131 -1.783 1.00 0.00 H new ATOM 0 HA ASN A 667 -1.621 1.449 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 667 0.403 3.503 -0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.408 2.138 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 667 1.662 1.715 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 667 0.752 3.136 -3.047 1.00 0.00 H new ATOM 718 N GLN A 668 -1.923 2.848 1.576 1.00 0.00 N ATOM 719 CA GLN A 668 -2.635 2.557 2.864 1.00 0.00 C ATOM 720 C GLN A 668 -4.104 2.842 2.673 1.00 0.00 C ATOM 721 O GLN A 668 -4.962 2.132 3.198 1.00 0.00 O ATOM 722 CB GLN A 668 -2.024 3.201 4.156 1.00 0.00 C ATOM 723 CG GLN A 668 -2.911 4.164 4.951 1.00 0.00 C ATOM 724 CD GLN A 668 -2.635 4.115 6.442 1.00 0.00 C ATOM 725 OE1 GLN A 668 -3.259 3.350 7.177 1.00 0.00 O ATOM 726 NE2 GLN A 668 -1.694 4.935 6.896 1.00 0.00 N ATOM 0 H GLN A 668 -1.357 3.696 1.573 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.489 1.498 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.720 2.394 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -1.118 3.736 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.753 5.180 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -3.958 3.920 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.201 5.553 6.251 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -1.464 4.947 7.890 1.00 0.00 H new ATOM 735 N LEU A 669 -4.373 3.904 1.916 1.00 0.00 N ATOM 736 CA LEU A 669 -5.722 4.291 1.568 1.00 0.00 C ATOM 737 C LEU A 669 -6.459 3.061 1.020 1.00 0.00 C ATOM 738 O LEU A 669 -7.471 2.636 1.575 1.00 0.00 O ATOM 739 CB LEU A 669 -5.627 5.388 0.508 1.00 0.00 C ATOM 740 CG LEU A 669 -6.811 6.364 0.438 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.359 7.713 -0.098 1.00 0.00 C ATOM 742 CD2 LEU A 669 -7.928 5.801 -0.434 1.00 0.00 C ATOM 0 H LEU A 669 -3.654 4.516 1.530 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.271 4.666 2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.719 5.963 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.515 4.914 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 669 -7.197 6.499 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.211 8.392 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.596 8.129 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -5.945 7.587 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.755 6.510 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -7.552 5.633 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.276 4.857 -0.015 1.00 0.00 H new ATOM 754 N SER A 670 -5.872 2.444 -0.018 1.00 0.00 N ATOM 755 CA SER A 670 -6.438 1.241 -0.633 1.00 0.00 C ATOM 756 C SER A 670 -6.280 -0.007 0.255 1.00 0.00 C ATOM 757 O SER A 670 -7.291 -0.620 0.606 1.00 0.00 O ATOM 758 CB SER A 670 -5.836 0.987 -2.021 1.00 0.00 C ATOM 759 OG SER A 670 -6.300 1.942 -2.959 1.00 0.00 O ATOM 0 H SER A 670 -5.003 2.763 -0.447 1.00 0.00 H new ATOM 0 HA SER A 670 -7.506 1.429 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 670 -4.748 1.028 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 670 -6.099 -0.016 -2.357 1.00 0.00 H new ATOM 0 HG SER A 670 -6.627 1.482 -3.760 1.00 0.00 H new ATOM 765 N GLU A 671 -5.032 -0.392 0.644 1.00 0.00 N ATOM 766 CA GLU A 671 -4.860 -1.607 1.467 1.00 0.00 C ATOM 767 C GLU A 671 -5.297 -1.404 2.925 1.00 0.00 C ATOM 768 O GLU A 671 -6.249 -2.046 3.377 1.00 0.00 O ATOM 769 CB GLU A 671 -3.406 -2.106 1.411 1.00 0.00 C ATOM 770 CG GLU A 671 -3.196 -3.530 1.935 1.00 0.00 C ATOM 771 CD GLU A 671 -3.082 -3.602 3.445 1.00 0.00 C ATOM 772 OE1 GLU A 671 -2.051 -3.159 3.981 1.00 0.00 O ATOM 773 OE2 GLU A 671 -4.028 -4.100 4.089 1.00 0.00 O ATOM 0 H GLU A 671 -4.170 0.101 0.410 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.515 -2.365 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.060 -2.059 0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.780 -1.425 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -4.027 -4.156 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.292 -3.944 1.489 1.00 0.00 H new ATOM 780 N ALA A 672 -4.592 -0.517 3.651 1.00 0.00 N ATOM 781 CA ALA A 672 -4.901 -0.249 5.073 1.00 0.00 C ATOM 782 C ALA A 672 -6.376 0.104 5.370 1.00 0.00 C ATOM 783 O ALA A 672 -6.922 -0.399 6.354 1.00 0.00 O ATOM 784 CB ALA A 672 -3.988 0.828 5.625 1.00 0.00 C ATOM 0 H ALA A 672 -3.810 0.024 3.282 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.722 -1.197 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -4.232 1.010 6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.951 0.502 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -4.124 1.747 5.056 1.00 0.00 H new ATOM 790 N LEU A 673 -7.030 0.952 4.544 1.00 0.00 N ATOM 791 CA LEU A 673 -8.433 1.335 4.804 1.00 0.00 C ATOM 792 C LEU A 673 -9.425 0.198 4.502 1.00 0.00 C ATOM 793 O LEU A 673 -10.364 -0.023 5.270 1.00 0.00 O ATOM 794 CB LEU A 673 -8.815 2.597 4.019 1.00 0.00 C ATOM 795 CG LEU A 673 -9.970 3.425 4.605 1.00 0.00 C ATOM 796 CD1 LEU A 673 -9.458 4.421 5.639 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.722 4.145 3.496 1.00 0.00 C ATOM 0 H LEU A 673 -6.619 1.375 3.711 1.00 0.00 H new ATOM 0 HA LEU A 673 -8.501 1.547 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.935 3.236 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -9.082 2.304 3.004 1.00 0.00 H new ATOM 0 HG LEU A 673 -10.657 2.743 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -10.295 4.994 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -8.967 3.883 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -8.745 5.099 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -11.537 4.727 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -10.040 4.811 2.967 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -11.129 3.413 2.798 1.00 0.00 H new ATOM 809 N LEU A 674 -9.208 -0.519 3.387 1.00 0.00 N ATOM 810 CA LEU A 674 -10.094 -1.623 2.978 1.00 0.00 C ATOM 811 C LEU A 674 -9.940 -2.866 3.866 1.00 0.00 C ATOM 812 O LEU A 674 -10.936 -3.505 4.216 1.00 0.00 O ATOM 813 CB LEU A 674 -9.851 -2.000 1.507 1.00 0.00 C ATOM 814 CG LEU A 674 -10.584 -1.135 0.469 1.00 0.00 C ATOM 815 CD1 LEU A 674 -9.873 -1.201 -0.874 1.00 0.00 C ATOM 816 CD2 LEU A 674 -12.035 -1.581 0.311 1.00 0.00 C ATOM 0 H LEU A 674 -8.427 -0.354 2.752 1.00 0.00 H new ATOM 0 HA LEU A 674 -11.115 -1.260 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -8.781 -1.945 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -10.149 -3.039 1.363 1.00 0.00 H new ATOM 0 HG LEU A 674 -10.577 -0.105 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -10.405 -0.583 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -8.853 -0.834 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.852 -2.233 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -12.530 -0.952 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -12.063 -2.620 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -12.550 -1.490 1.267 1.00 0.00 H new ATOM 828 N SER A 675 -8.691 -3.199 4.223 1.00 0.00 N ATOM 829 CA SER A 675 -8.390 -4.376 5.055 1.00 0.00 C ATOM 830 C SER A 675 -8.817 -4.191 6.521 1.00 0.00 C ATOM 831 O SER A 675 -9.361 -5.118 7.129 1.00 0.00 O ATOM 832 CB SER A 675 -6.893 -4.696 4.984 1.00 0.00 C ATOM 833 OG SER A 675 -6.606 -5.955 5.571 1.00 0.00 O ATOM 0 H SER A 675 -7.867 -2.666 3.947 1.00 0.00 H new ATOM 0 HA SER A 675 -8.969 -5.208 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.568 -4.695 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 675 -6.328 -3.917 5.495 1.00 0.00 H new ATOM 0 HG SER A 675 -5.936 -6.423 5.030 1.00 0.00 H new ATOM 839 N LEU A 676 -8.569 -2.994 7.079 1.00 0.00 N ATOM 840 CA LEU A 676 -8.913 -2.687 8.478 1.00 0.00 C ATOM 841 C LEU A 676 -10.424 -2.523 8.694 1.00 0.00 C ATOM 842 O LEU A 676 -10.968 -3.037 9.675 1.00 0.00 O ATOM 843 CB LEU A 676 -8.176 -1.422 8.944 1.00 0.00 C ATOM 844 CG LEU A 676 -6.847 -1.655 9.683 1.00 0.00 C ATOM 845 CD1 LEU A 676 -5.707 -1.921 8.704 1.00 0.00 C ATOM 846 CD2 LEU A 676 -6.519 -0.460 10.566 1.00 0.00 C ATOM 0 H LEU A 676 -8.130 -2.220 6.580 1.00 0.00 H new ATOM 0 HA LEU A 676 -8.593 -3.540 9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -7.981 -0.797 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -8.840 -0.858 9.599 1.00 0.00 H new ATOM 0 HG LEU A 676 -6.961 -2.539 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -4.782 -2.082 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -5.935 -2.808 8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -5.589 -1.064 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -5.576 -0.638 11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -6.432 0.435 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -7.314 -0.320 11.298 1.00 0.00 H new ATOM 858 N ASN A 677 -11.094 -1.807 7.774 1.00 0.00 N ATOM 859 CA ASN A 677 -12.543 -1.569 7.865 1.00 0.00 C ATOM 860 C ASN A 677 -13.355 -2.834 7.548 1.00 0.00 C ATOM 861 O ASN A 677 -14.159 -3.278 8.374 1.00 0.00 O ATOM 862 CB ASN A 677 -12.956 -0.417 6.941 1.00 0.00 C ATOM 863 CG ASN A 677 -12.663 0.943 7.547 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.510 1.528 8.223 1.00 0.00 O ATOM 865 ND2 ASN A 677 -11.460 1.452 7.311 1.00 0.00 N ATOM 0 H ASN A 677 -10.653 -1.383 6.958 1.00 0.00 H new ATOM 0 HA ASN A 677 -12.764 -1.292 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.429 -0.510 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -14.021 -0.493 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -11.207 2.362 7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.789 0.933 6.745 1.00 0.00 H new ATOM 872 N PHE A 678 -13.140 -3.406 6.350 1.00 0.00 N ATOM 873 CA PHE A 678 -13.841 -4.623 5.915 1.00 0.00 C ATOM 874 C PHE A 678 -13.330 -5.868 6.651 1.00 0.00 C ATOM 875 O PHE A 678 -14.137 -6.508 7.357 1.00 0.00 O ATOM 876 CB PHE A 678 -13.705 -4.806 4.399 1.00 0.00 C ATOM 877 CG PHE A 678 -14.574 -3.875 3.600 1.00 0.00 C ATOM 878 CD1 PHE A 678 -14.117 -2.619 3.234 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.849 -4.258 3.215 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.916 -1.762 2.499 1.00 0.00 C ATOM 881 CE2 PHE A 678 -16.652 -3.406 2.480 1.00 0.00 C ATOM 882 CZ PHE A 678 -16.185 -2.157 2.122 1.00 0.00 C ATOM 883 OXT PHE A 678 -12.126 -6.184 6.522 1.00 0.00 O ATOM 0 H PHE A 678 -12.481 -3.040 5.663 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.895 -4.502 6.165 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.664 -4.652 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.956 -5.835 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -13.126 -2.306 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -16.220 -5.234 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -14.548 -0.786 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -17.644 -3.717 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.811 -1.490 1.548 1.00 0.00 H new TER 893 PHE A 678