USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 547 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 Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 14:sc= 1.29 USER MOD Single : A 26 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.037) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0211 (180deg=-0.13) USER MOD Single : A 29 TYR OH : rot -113:sc= -0.677! USER MOD Single : A 31 SER OG : rot 71:sc= 0.274 USER MOD Single : A 35 LYS NZ :NH3+ -111:sc= 0.849 (180deg=-0.233) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -150:sc= -0.507 (180deg=-1.62!) USER MOD Single : A 46 HIS : no HD1:sc= -6.86! C(o=-6.9!,f=-7.5!) USER MOD Single : A 51 SER OG : rot -95:sc= 1.21 USER MOD Single : A 52 HIS : no HE2:sc= 1.07 K(o=1.1,f=-6.4!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.86! C(o=-1.9!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -8.388 -2.467 -15.700 1.00 0.00 N ATOM 2 CA ASN A 7 -7.054 -2.637 -15.156 1.00 0.00 C ATOM 3 C ASN A 7 -6.675 -1.462 -14.281 1.00 0.00 C ATOM 4 O ASN A 7 -6.554 -0.326 -14.743 1.00 0.00 O ATOM 5 CB ASN A 7 -6.010 -2.908 -16.267 1.00 0.00 C ATOM 6 CG ASN A 7 -6.091 -1.947 -17.443 1.00 0.00 C ATOM 7 OD1 ASN A 7 -6.865 -2.173 -18.381 1.00 0.00 O ATOM 8 ND2 ASN A 7 -5.303 -0.919 -17.445 1.00 0.00 N ATOM 0 HA ASN A 7 -7.060 -3.523 -14.522 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.011 -2.852 -15.834 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.141 -3.926 -16.634 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.311 -0.272 -18.233 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.675 -0.757 -16.658 1.00 0.00 H new ATOM 15 N ARG A 8 -6.549 -1.734 -13.014 1.00 0.00 N ATOM 16 CA ARG A 8 -6.227 -0.720 -12.032 1.00 0.00 C ATOM 17 C ARG A 8 -4.954 -1.125 -11.314 1.00 0.00 C ATOM 18 O ARG A 8 -4.701 -2.328 -11.136 1.00 0.00 O ATOM 19 CB ARG A 8 -7.327 -0.618 -10.973 1.00 0.00 C ATOM 20 CG ARG A 8 -8.735 -0.372 -11.465 1.00 0.00 C ATOM 21 CD ARG A 8 -9.656 -0.359 -10.269 1.00 0.00 C ATOM 22 NE ARG A 8 -11.076 -0.202 -10.591 1.00 0.00 N ATOM 23 CZ ARG A 8 -12.049 -0.336 -9.676 1.00 0.00 C ATOM 24 NH1 ARG A 8 -11.729 -0.556 -8.398 1.00 0.00 N ATOM 25 NH2 ARG A 8 -13.323 -0.228 -10.020 1.00 0.00 N ATOM 0 H ARG A 8 -6.666 -2.669 -12.623 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.119 0.234 -12.548 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.327 -1.542 -10.395 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.063 0.187 -10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.791 0.577 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.034 -1.150 -12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.524 -1.289 -9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.356 0.452 -9.606 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.337 0.019 -11.552 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.749 -0.621 -8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.464 -0.659 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.575 -0.041 -10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.052 -0.332 -9.315 1.00 0.00 H new ATOM 39 N PRO A 9 -4.144 -0.168 -10.868 1.00 0.00 N ATOM 40 CA PRO A 9 -2.951 -0.466 -10.117 1.00 0.00 C ATOM 41 C PRO A 9 -3.286 -0.754 -8.649 1.00 0.00 C ATOM 42 O PRO A 9 -3.294 0.144 -7.812 1.00 0.00 O ATOM 43 CB PRO A 9 -2.088 0.806 -10.245 1.00 0.00 C ATOM 44 CG PRO A 9 -2.895 1.769 -11.069 1.00 0.00 C ATOM 45 CD PRO A 9 -4.311 1.274 -11.058 1.00 0.00 C ATOM 0 HA PRO A 9 -2.439 -1.353 -10.489 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.862 1.225 -9.264 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.135 0.585 -10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.835 2.776 -10.655 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.512 1.820 -12.088 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.892 1.724 -10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.828 1.503 -11.990 1.00 0.00 H new ATOM 53 N GLY A 10 -3.650 -1.977 -8.373 1.00 0.00 N ATOM 54 CA GLY A 10 -3.989 -2.360 -7.032 1.00 0.00 C ATOM 55 C GLY A 10 -2.960 -3.289 -6.452 1.00 0.00 C ATOM 56 O GLY A 10 -2.002 -3.649 -7.144 1.00 0.00 O ATOM 0 H GLY A 10 -3.719 -2.726 -9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.072 -1.470 -6.408 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.965 -2.846 -7.026 1.00 0.00 H new ATOM 60 N ILE A 11 -3.143 -3.666 -5.179 1.00 0.00 N ATOM 61 CA ILE A 11 -2.227 -4.583 -4.477 1.00 0.00 C ATOM 62 C ILE A 11 -2.056 -5.868 -5.270 1.00 0.00 C ATOM 63 O ILE A 11 -2.930 -6.711 -5.284 1.00 0.00 O ATOM 64 CB ILE A 11 -2.715 -4.960 -3.036 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.080 -3.703 -2.220 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.639 -5.779 -2.308 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.444 -3.984 -0.768 1.00 0.00 C ATOM 0 H ILE A 11 -3.925 -3.347 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.282 -4.048 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.615 -5.566 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.238 -3.011 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.919 -3.201 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.990 -6.034 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.438 -6.693 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.724 -5.191 -2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.687 -3.047 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.306 -4.650 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.600 -4.456 -0.266 1.00 0.00 H new ATOM 79 N THR A 12 -0.934 -5.980 -5.944 1.00 0.00 N ATOM 80 CA THR A 12 -0.638 -7.137 -6.754 1.00 0.00 C ATOM 81 C THR A 12 0.058 -8.226 -5.893 1.00 0.00 C ATOM 82 O THR A 12 0.387 -9.306 -6.372 1.00 0.00 O ATOM 83 CB THR A 12 0.282 -6.689 -7.905 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.199 -5.421 -8.410 1.00 0.00 O ATOM 85 CG2 THR A 12 0.268 -7.696 -9.039 1.00 0.00 C ATOM 0 H THR A 12 -0.201 -5.270 -5.945 1.00 0.00 H new ATOM 0 HA THR A 12 -1.556 -7.565 -7.157 1.00 0.00 H new ATOM 0 HB THR A 12 1.300 -6.604 -7.526 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.378 -5.121 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.926 -7.354 -9.838 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.615 -8.662 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.747 -7.797 -9.424 1.00 0.00 H new ATOM 93 N PHE A 13 0.281 -7.892 -4.607 1.00 0.00 N ATOM 94 CA PHE A 13 0.935 -8.783 -3.613 1.00 0.00 C ATOM 95 C PHE A 13 2.388 -9.091 -3.988 1.00 0.00 C ATOM 96 O PHE A 13 3.017 -9.965 -3.409 1.00 0.00 O ATOM 97 CB PHE A 13 0.139 -10.091 -3.398 1.00 0.00 C ATOM 98 CG PHE A 13 -1.251 -9.891 -2.856 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.468 -9.778 -1.493 1.00 0.00 C ATOM 100 CD2 PHE A 13 -2.339 -9.814 -3.709 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.741 -9.593 -0.994 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.613 -9.628 -3.215 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.814 -9.517 -1.855 1.00 0.00 C ATOM 0 H PHE A 13 0.011 -6.988 -4.219 1.00 0.00 H new ATOM 0 HA PHE A 13 0.943 -8.238 -2.669 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.073 -10.622 -4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.694 -10.732 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.631 -9.835 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.188 -9.901 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.896 -9.508 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.452 -9.569 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.811 -9.371 -1.466 1.00 0.00 H new ATOM 113 N GLU A 14 2.909 -8.331 -4.912 1.00 0.00 N ATOM 114 CA GLU A 14 4.250 -8.505 -5.401 1.00 0.00 C ATOM 115 C GLU A 14 5.123 -7.375 -4.925 1.00 0.00 C ATOM 116 O GLU A 14 4.753 -6.195 -5.055 1.00 0.00 O ATOM 117 CB GLU A 14 4.257 -8.539 -6.924 1.00 0.00 C ATOM 118 CG GLU A 14 3.518 -9.713 -7.531 1.00 0.00 C ATOM 119 CD GLU A 14 4.160 -11.029 -7.195 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.196 -11.358 -7.798 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.645 -11.758 -6.321 1.00 0.00 O ATOM 0 H GLU A 14 2.406 -7.561 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 14 4.637 -9.450 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.814 -7.615 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.291 -8.559 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.488 -9.713 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.482 -9.595 -8.614 1.00 0.00 H new ATOM 128 N ILE A 15 6.250 -7.718 -4.371 1.00 0.00 N ATOM 129 CA ILE A 15 7.203 -6.739 -3.922 1.00 0.00 C ATOM 130 C ILE A 15 7.790 -6.025 -5.135 1.00 0.00 C ATOM 131 O ILE A 15 8.408 -6.647 -6.002 1.00 0.00 O ATOM 132 CB ILE A 15 8.315 -7.389 -3.055 1.00 0.00 C ATOM 133 CG1 ILE A 15 7.712 -7.920 -1.733 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.458 -6.404 -2.791 1.00 0.00 C ATOM 135 CD1 ILE A 15 8.712 -8.588 -0.817 1.00 0.00 C ATOM 0 H ILE A 15 6.536 -8.685 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 15 6.697 -6.011 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 15 8.737 -8.231 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.247 -7.090 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.921 -8.632 -1.968 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.222 -6.887 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.895 -6.091 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.072 -5.531 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.206 -8.931 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.160 -9.440 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.492 -7.875 -0.548 1.00 0.00 H new ATOM 147 N GLY A 16 7.545 -4.746 -5.213 1.00 0.00 N ATOM 148 CA GLY A 16 7.987 -3.973 -6.336 1.00 0.00 C ATOM 149 C GLY A 16 6.822 -3.509 -7.171 1.00 0.00 C ATOM 150 O GLY A 16 6.995 -2.740 -8.119 1.00 0.00 O ATOM 0 H GLY A 16 7.037 -4.215 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.554 -3.110 -5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.662 -4.570 -6.949 1.00 0.00 H new ATOM 154 N ALA A 17 5.636 -3.988 -6.840 1.00 0.00 N ATOM 155 CA ALA A 17 4.441 -3.572 -7.531 1.00 0.00 C ATOM 156 C ALA A 17 3.824 -2.382 -6.820 1.00 0.00 C ATOM 157 O ALA A 17 4.166 -2.089 -5.661 1.00 0.00 O ATOM 158 CB ALA A 17 3.436 -4.712 -7.615 1.00 0.00 C ATOM 0 H ALA A 17 5.481 -4.667 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 17 4.712 -3.284 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.544 -4.372 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.879 -5.549 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.165 -5.033 -6.609 1.00 0.00 H new ATOM 164 N ARG A 18 2.926 -1.707 -7.487 1.00 0.00 N ATOM 165 CA ARG A 18 2.274 -0.579 -6.910 1.00 0.00 C ATOM 166 C ARG A 18 0.847 -0.931 -6.618 1.00 0.00 C ATOM 167 O ARG A 18 0.155 -1.544 -7.442 1.00 0.00 O ATOM 168 CB ARG A 18 2.399 0.711 -7.780 1.00 0.00 C ATOM 169 CG ARG A 18 1.564 0.810 -9.085 1.00 0.00 C ATOM 170 CD ARG A 18 1.770 -0.354 -10.059 1.00 0.00 C ATOM 171 NE ARG A 18 3.173 -0.578 -10.421 1.00 0.00 N ATOM 172 CZ ARG A 18 3.715 -1.780 -10.682 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.942 -2.881 -10.713 1.00 0.00 N ATOM 174 NH2 ARG A 18 5.008 -1.885 -10.914 1.00 0.00 N ATOM 0 H ARG A 18 2.633 -1.927 -8.439 1.00 0.00 H new ATOM 0 HA ARG A 18 2.779 -0.335 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.134 1.561 -7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.449 0.829 -8.049 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.508 0.865 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.815 1.741 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.369 -1.264 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.196 -0.163 -10.966 1.00 0.00 H new ATOM 0 HE ARG A 18 3.782 0.238 -10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.940 -2.806 -10.538 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.358 -3.791 -10.912 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.599 -1.054 -10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.418 -2.798 -11.112 1.00 0.00 H new ATOM 188 N LEU A 19 0.442 -0.596 -5.458 1.00 0.00 N ATOM 189 CA LEU A 19 -0.879 -0.850 -4.986 1.00 0.00 C ATOM 190 C LEU A 19 -1.614 0.448 -4.885 1.00 0.00 C ATOM 191 O LEU A 19 -1.030 1.516 -5.181 1.00 0.00 O ATOM 192 CB LEU A 19 -0.831 -1.604 -3.634 1.00 0.00 C ATOM 193 CG LEU A 19 -0.001 -1.017 -2.461 1.00 0.00 C ATOM 194 CD1 LEU A 19 -0.599 0.250 -1.889 1.00 0.00 C ATOM 195 CD2 LEU A 19 0.135 -2.043 -1.372 1.00 0.00 C ATOM 0 H LEU A 19 1.034 -0.119 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.414 -1.492 -5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.858 -1.714 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.452 -2.607 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 19 0.977 -0.756 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.027 0.611 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.654 1.010 -2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.601 0.042 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.718 -1.627 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.854 -2.322 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.640 -2.926 -1.765 1.00 0.00 H new ATOM 207 N GLU A 20 -2.852 0.427 -4.480 1.00 0.00 N ATOM 208 CA GLU A 20 -3.514 1.665 -4.337 1.00 0.00 C ATOM 209 C GLU A 20 -3.775 1.863 -2.853 1.00 0.00 C ATOM 210 O GLU A 20 -4.172 0.928 -2.172 1.00 0.00 O ATOM 211 CB GLU A 20 -4.772 1.658 -5.195 1.00 0.00 C ATOM 212 CG GLU A 20 -5.368 3.028 -5.456 1.00 0.00 C ATOM 213 CD GLU A 20 -6.551 2.998 -6.408 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.679 2.784 -5.963 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.371 3.226 -7.626 1.00 0.00 O ATOM 0 H GLU A 20 -3.396 -0.406 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.920 2.509 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.541 1.189 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.524 1.036 -4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.684 3.465 -4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.597 3.680 -5.867 1.00 0.00 H new ATOM 222 N ALA A 21 -3.436 3.008 -2.331 1.00 0.00 N ATOM 223 CA ALA A 21 -3.663 3.292 -0.924 1.00 0.00 C ATOM 224 C ALA A 21 -4.263 4.655 -0.796 1.00 0.00 C ATOM 225 O ALA A 21 -4.036 5.478 -1.648 1.00 0.00 O ATOM 226 CB ALA A 21 -2.361 3.211 -0.149 1.00 0.00 C ATOM 0 H ALA A 21 -3.000 3.768 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.347 2.552 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.550 3.426 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.942 2.209 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.654 3.939 -0.547 1.00 0.00 H new ATOM 232 N LEU A 22 -5.031 4.882 0.248 1.00 0.00 N ATOM 233 CA LEU A 22 -5.710 6.162 0.461 1.00 0.00 C ATOM 234 C LEU A 22 -4.952 6.937 1.474 1.00 0.00 C ATOM 235 O LEU A 22 -4.969 6.610 2.636 1.00 0.00 O ATOM 236 CB LEU A 22 -7.167 5.900 0.948 1.00 0.00 C ATOM 237 CG LEU A 22 -8.173 7.068 1.087 1.00 0.00 C ATOM 238 CD1 LEU A 22 -7.880 8.014 2.242 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.295 7.822 -0.194 1.00 0.00 C ATOM 0 H LEU A 22 -5.208 4.192 0.978 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.753 6.730 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.609 5.175 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.098 5.418 1.923 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.128 6.600 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.632 8.802 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.904 7.460 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.894 8.458 2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.008 8.637 -0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.322 8.229 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.644 7.151 -0.979 1.00 0.00 H new ATOM 251 N ASP A 23 -4.268 7.926 1.075 1.00 0.00 N ATOM 252 CA ASP A 23 -3.606 8.700 2.075 1.00 0.00 C ATOM 253 C ASP A 23 -4.340 9.960 2.295 1.00 0.00 C ATOM 254 O ASP A 23 -5.373 10.184 1.608 1.00 0.00 O ATOM 255 CB ASP A 23 -2.156 8.947 1.780 1.00 0.00 C ATOM 256 CG ASP A 23 -1.857 10.095 0.840 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.666 10.405 -0.056 1.00 0.00 O ATOM 258 OD2 ASP A 23 -0.763 10.690 0.997 1.00 0.00 O ATOM 0 H ASP A 23 -4.143 8.225 0.108 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.612 8.114 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.640 9.131 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.731 8.037 1.357 1.00 0.00 H new ATOM 263 N TYR A 24 -3.776 10.805 3.196 1.00 0.00 N ATOM 264 CA TYR A 24 -4.360 12.056 3.708 1.00 0.00 C ATOM 265 C TYR A 24 -4.705 13.082 2.625 1.00 0.00 C ATOM 266 O TYR A 24 -5.322 14.105 2.913 1.00 0.00 O ATOM 267 CB TYR A 24 -3.456 12.696 4.785 1.00 0.00 C ATOM 268 CG TYR A 24 -2.142 13.228 4.265 1.00 0.00 C ATOM 269 CD1 TYR A 24 -1.054 12.393 4.073 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.002 14.574 3.950 1.00 0.00 C ATOM 271 CE1 TYR A 24 0.130 12.882 3.585 1.00 0.00 C ATOM 272 CE2 TYR A 24 -0.823 15.070 3.459 1.00 0.00 C ATOM 273 CZ TYR A 24 0.238 14.224 3.276 1.00 0.00 C ATOM 274 OH TYR A 24 1.418 14.712 2.777 1.00 0.00 O ATOM 0 H TYR A 24 -2.858 10.617 3.600 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.309 11.762 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.001 13.511 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.253 11.955 5.558 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.139 11.343 4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.838 15.242 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.973 12.222 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.731 16.119 3.218 1.00 0.00 H new ATOM 0 HH TYR A 24 1.988 13.966 2.496 1.00 0.00 H new ATOM 284 N LEU A 25 -4.289 12.835 1.403 1.00 0.00 N ATOM 285 CA LEU A 25 -4.702 13.674 0.280 1.00 0.00 C ATOM 286 C LEU A 25 -6.083 13.270 -0.121 1.00 0.00 C ATOM 287 O LEU A 25 -6.754 13.948 -0.912 1.00 0.00 O ATOM 288 CB LEU A 25 -3.774 13.509 -0.938 1.00 0.00 C ATOM 289 CG LEU A 25 -2.399 14.151 -0.912 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.545 15.625 -0.640 1.00 0.00 C ATOM 291 CD2 LEU A 25 -1.491 13.531 0.118 1.00 0.00 C ATOM 0 H LEU A 25 -3.668 12.066 1.153 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.659 14.716 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.634 12.440 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.302 13.899 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.939 13.985 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.560 16.091 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.147 16.082 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.034 15.771 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.521 14.028 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.933 13.645 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.362 12.471 -0.102 1.00 0.00 H new ATOM 303 N GLN A 26 -6.469 12.139 0.418 1.00 0.00 N ATOM 304 CA GLN A 26 -7.683 11.478 0.157 1.00 0.00 C ATOM 305 C GLN A 26 -7.600 10.937 -1.145 1.00 0.00 C ATOM 306 O GLN A 26 -8.497 11.063 -1.981 1.00 0.00 O ATOM 307 CB GLN A 26 -8.895 12.295 0.390 1.00 0.00 C ATOM 308 CG GLN A 26 -9.454 12.068 1.767 1.00 0.00 C ATOM 309 CD GLN A 26 -8.494 12.475 2.870 1.00 0.00 C ATOM 310 OE1 GLN A 26 -8.500 13.611 3.333 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.665 11.562 3.299 1.00 0.00 N ATOM 0 H GLN A 26 -5.890 11.639 1.093 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.812 10.676 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.654 13.350 0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.651 12.049 -0.356 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.382 12.630 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.705 11.014 1.882 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.684 10.626 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.999 11.785 4.039 1.00 0.00 H new ATOM 320 N LYS A 27 -6.512 10.294 -1.334 1.00 0.00 N ATOM 321 CA LYS A 27 -6.231 9.788 -2.613 1.00 0.00 C ATOM 322 C LYS A 27 -5.899 8.396 -2.554 1.00 0.00 C ATOM 323 O LYS A 27 -5.036 8.002 -1.780 1.00 0.00 O ATOM 324 CB LYS A 27 -5.107 10.545 -3.294 1.00 0.00 C ATOM 325 CG LYS A 27 -5.411 11.992 -3.512 1.00 0.00 C ATOM 326 CD LYS A 27 -6.620 12.147 -4.411 1.00 0.00 C ATOM 327 CE LYS A 27 -6.975 13.596 -4.652 1.00 0.00 C ATOM 328 NZ LYS A 27 -5.890 14.336 -5.314 1.00 0.00 N ATOM 0 H LYS A 27 -5.807 10.108 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.138 9.920 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.203 10.458 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.895 10.077 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.596 12.480 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.550 12.488 -3.961 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.424 11.660 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.472 11.637 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.875 13.650 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.209 14.073 -3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.242 15.264 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.104 14.470 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.556 13.798 -6.139 1.00 0.00 H new ATOM 342 N TRP A 28 -6.624 7.638 -3.310 1.00 0.00 N ATOM 343 CA TRP A 28 -6.283 6.302 -3.551 1.00 0.00 C ATOM 344 C TRP A 28 -5.243 6.391 -4.625 1.00 0.00 C ATOM 345 O TRP A 28 -5.554 6.556 -5.809 1.00 0.00 O ATOM 346 CB TRP A 28 -7.486 5.503 -4.017 1.00 0.00 C ATOM 347 CG TRP A 28 -8.558 5.301 -2.987 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.726 5.967 -2.877 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.529 4.370 -1.920 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.478 5.439 -1.841 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.740 4.461 -1.226 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.603 3.462 -1.508 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.025 3.641 -0.120 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.857 2.674 -0.438 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.046 2.746 0.251 1.00 0.00 C ATOM 0 H TRP A 28 -7.477 7.947 -3.776 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.924 5.791 -2.658 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.924 6.006 -4.880 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.143 4.526 -4.357 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.030 6.791 -3.505 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.421 5.728 -1.580 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.665 3.370 -2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.963 3.709 0.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.105 1.969 -0.116 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.214 2.092 1.094 1.00 0.00 H new ATOM 366 N TYR A 29 -4.032 6.416 -4.215 1.00 0.00 N ATOM 367 CA TYR A 29 -2.969 6.725 -5.090 1.00 0.00 C ATOM 368 C TYR A 29 -1.919 5.602 -5.082 1.00 0.00 C ATOM 369 O TYR A 29 -1.850 4.817 -4.106 1.00 0.00 O ATOM 370 CB TYR A 29 -2.435 8.150 -4.690 1.00 0.00 C ATOM 371 CG TYR A 29 -1.583 8.286 -3.449 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.567 7.356 -2.407 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.785 9.385 -3.336 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.765 7.547 -1.310 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.006 9.583 -2.270 1.00 0.00 C ATOM 376 CZ TYR A 29 0.027 8.681 -1.255 1.00 0.00 C ATOM 377 OH TYR A 29 0.858 8.912 -0.184 1.00 0.00 O ATOM 0 H TYR A 29 -3.748 6.221 -3.255 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.287 6.777 -6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.857 8.534 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.298 8.805 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.192 6.477 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.789 10.119 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.752 6.827 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.629 10.464 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 29 0.544 9.698 0.310 1.00 0.00 H new ATOM 387 N PRO A 30 -1.164 5.441 -6.187 1.00 0.00 N ATOM 388 CA PRO A 30 -0.133 4.415 -6.306 1.00 0.00 C ATOM 389 C PRO A 30 0.911 4.499 -5.219 1.00 0.00 C ATOM 390 O PRO A 30 1.657 5.487 -5.097 1.00 0.00 O ATOM 391 CB PRO A 30 0.486 4.660 -7.677 1.00 0.00 C ATOM 392 CG PRO A 30 -0.597 5.332 -8.429 1.00 0.00 C ATOM 393 CD PRO A 30 -1.287 6.211 -7.431 1.00 0.00 C ATOM 0 HA PRO A 30 -0.558 3.417 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.376 5.286 -7.610 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.787 3.727 -8.154 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.196 5.917 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.288 4.605 -8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.809 7.188 -7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.329 6.387 -7.698 1.00 0.00 H new ATOM 401 N SER A 31 0.913 3.491 -4.420 1.00 0.00 N ATOM 402 CA SER A 31 1.826 3.339 -3.352 1.00 0.00 C ATOM 403 C SER A 31 2.541 2.017 -3.587 1.00 0.00 C ATOM 404 O SER A 31 1.959 1.109 -4.141 1.00 0.00 O ATOM 405 CB SER A 31 1.044 3.354 -2.065 1.00 0.00 C ATOM 406 OG SER A 31 0.285 4.544 -1.968 1.00 0.00 O ATOM 0 H SER A 31 0.250 2.720 -4.499 1.00 0.00 H new ATOM 0 HA SER A 31 2.565 4.138 -3.293 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.383 2.488 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.724 3.278 -1.217 1.00 0.00 H new ATOM 0 HG SER A 31 -0.451 4.516 -2.614 1.00 0.00 H new ATOM 412 N ARG A 32 3.772 1.908 -3.217 1.00 0.00 N ATOM 413 CA ARG A 32 4.559 0.755 -3.623 1.00 0.00 C ATOM 414 C ARG A 32 4.712 -0.287 -2.534 1.00 0.00 C ATOM 415 O ARG A 32 4.949 0.045 -1.369 1.00 0.00 O ATOM 416 CB ARG A 32 5.942 1.180 -4.093 1.00 0.00 C ATOM 417 CG ARG A 32 6.041 1.885 -5.441 1.00 0.00 C ATOM 418 CD ARG A 32 5.213 3.161 -5.546 1.00 0.00 C ATOM 419 NE ARG A 32 5.088 3.645 -6.926 1.00 0.00 N ATOM 420 CZ ARG A 32 4.764 4.900 -7.275 1.00 0.00 C ATOM 421 NH1 ARG A 32 4.715 5.862 -6.355 1.00 0.00 N ATOM 422 NH2 ARG A 32 4.515 5.195 -8.548 1.00 0.00 N ATOM 0 H ARG A 32 4.267 2.588 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 32 4.002 0.298 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.366 1.840 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.572 0.291 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.086 2.127 -5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.723 1.195 -6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.219 2.978 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.671 3.938 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 32 5.260 2.977 -7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.924 5.647 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.468 6.814 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.570 4.467 -9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.269 6.149 -8.812 1.00 0.00 H new ATOM 436 N ILE A 33 4.628 -1.534 -2.940 1.00 0.00 N ATOM 437 CA ILE A 33 4.791 -2.672 -2.059 1.00 0.00 C ATOM 438 C ILE A 33 6.278 -2.960 -1.921 1.00 0.00 C ATOM 439 O ILE A 33 6.954 -3.234 -2.921 1.00 0.00 O ATOM 440 CB ILE A 33 4.122 -3.940 -2.660 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.659 -3.666 -3.008 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.234 -5.108 -1.684 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.944 -4.818 -3.688 1.00 0.00 C ATOM 0 H ILE A 33 4.441 -1.792 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 33 4.329 -2.439 -1.099 1.00 0.00 H new ATOM 0 HB ILE A 33 4.644 -4.204 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.123 -3.413 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.612 -2.792 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.762 -5.990 -2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.285 -5.319 -1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.735 -4.851 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.913 -4.534 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.450 -5.060 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.954 -5.690 -3.034 1.00 0.00 H new ATOM 455 N GLU A 34 6.797 -2.873 -0.729 1.00 0.00 N ATOM 456 CA GLU A 34 8.205 -3.145 -0.524 1.00 0.00 C ATOM 457 C GLU A 34 8.375 -4.448 0.249 1.00 0.00 C ATOM 458 O GLU A 34 9.375 -5.136 0.124 1.00 0.00 O ATOM 459 CB GLU A 34 8.853 -1.988 0.221 1.00 0.00 C ATOM 460 CG GLU A 34 10.371 -1.999 0.246 1.00 0.00 C ATOM 461 CD GLU A 34 10.943 -1.798 -1.138 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.986 -0.651 -1.605 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.297 -2.774 -1.806 1.00 0.00 O ATOM 0 H GLU A 34 6.279 -2.619 0.112 1.00 0.00 H new ATOM 0 HA GLU A 34 8.696 -3.251 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.521 -1.054 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.489 -1.990 1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.732 -1.213 0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.724 -2.946 0.654 1.00 0.00 H new ATOM 470 N LYS A 35 7.390 -4.784 1.036 1.00 0.00 N ATOM 471 CA LYS A 35 7.423 -5.990 1.819 1.00 0.00 C ATOM 472 C LYS A 35 6.005 -6.425 2.065 1.00 0.00 C ATOM 473 O LYS A 35 5.145 -5.590 2.272 1.00 0.00 O ATOM 474 CB LYS A 35 8.133 -5.729 3.164 1.00 0.00 C ATOM 475 CG LYS A 35 8.313 -6.950 4.064 1.00 0.00 C ATOM 476 CD LYS A 35 9.240 -7.975 3.437 1.00 0.00 C ATOM 477 CE LYS A 35 9.477 -9.167 4.358 1.00 0.00 C ATOM 478 NZ LYS A 35 8.236 -9.918 4.650 1.00 0.00 N ATOM 0 H LYS A 35 6.542 -4.230 1.153 1.00 0.00 H new ATOM 0 HA LYS A 35 7.971 -6.768 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.115 -5.303 2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.567 -4.976 3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.715 -6.636 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.342 -7.407 4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.813 -8.323 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.194 -7.504 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.203 -9.838 3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.914 -8.817 5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.976 -9.784 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.468 -9.569 4.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.391 -10.930 4.465 1.00 0.00 H new ATOM 492 N ILE A 36 5.758 -7.691 2.001 1.00 0.00 N ATOM 493 CA ILE A 36 4.455 -8.236 2.293 1.00 0.00 C ATOM 494 C ILE A 36 4.582 -9.174 3.463 1.00 0.00 C ATOM 495 O ILE A 36 5.631 -9.789 3.645 1.00 0.00 O ATOM 496 CB ILE A 36 3.850 -9.013 1.082 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.891 -9.975 0.464 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.291 -8.059 0.041 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.339 -10.897 -0.599 1.00 0.00 C ATOM 0 H ILE A 36 6.454 -8.390 1.743 1.00 0.00 H new ATOM 0 HA ILE A 36 3.785 -7.406 2.517 1.00 0.00 H new ATOM 0 HB ILE A 36 3.021 -9.616 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.700 -9.386 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.327 -10.579 1.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.877 -8.630 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.506 -7.450 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.088 -7.412 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.137 -11.536 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.551 -11.516 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.930 -10.305 -1.418 1.00 0.00 H new ATOM 511 N ASP A 37 3.576 -9.246 4.265 1.00 0.00 N ATOM 512 CA ASP A 37 3.548 -10.174 5.359 1.00 0.00 C ATOM 513 C ASP A 37 2.236 -10.871 5.268 1.00 0.00 C ATOM 514 O ASP A 37 1.232 -10.259 5.369 1.00 0.00 O ATOM 515 CB ASP A 37 3.657 -9.456 6.716 1.00 0.00 C ATOM 516 CG ASP A 37 3.979 -10.406 7.843 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.082 -11.117 8.331 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.155 -10.446 8.266 1.00 0.00 O ATOM 0 H ASP A 37 2.743 -8.663 4.186 1.00 0.00 H new ATOM 0 HA ASP A 37 4.391 -10.862 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.430 -8.690 6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.718 -8.946 6.931 1.00 0.00 H new ATOM 523 N TYR A 38 2.247 -12.115 5.052 1.00 0.00 N ATOM 524 CA TYR A 38 1.040 -12.870 4.858 1.00 0.00 C ATOM 525 C TYR A 38 0.746 -13.716 6.065 1.00 0.00 C ATOM 526 O TYR A 38 -0.338 -14.294 6.193 1.00 0.00 O ATOM 527 CB TYR A 38 1.106 -13.706 3.574 1.00 0.00 C ATOM 528 CG TYR A 38 2.462 -14.313 3.275 1.00 0.00 C ATOM 529 CD1 TYR A 38 2.848 -15.530 3.820 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.360 -13.653 2.442 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.088 -16.066 3.544 1.00 0.00 C ATOM 532 CE2 TYR A 38 4.596 -14.184 2.164 1.00 0.00 C ATOM 533 CZ TYR A 38 4.957 -15.388 2.716 1.00 0.00 C ATOM 534 OH TYR A 38 6.192 -15.922 2.439 1.00 0.00 O ATOM 0 H TYR A 38 3.100 -12.672 4.999 1.00 0.00 H new ATOM 0 HA TYR A 38 0.214 -12.170 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.372 -14.509 3.643 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.813 -13.077 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.169 -16.064 4.468 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.080 -12.705 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.377 -17.013 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.280 -13.657 1.515 1.00 0.00 H new ATOM 0 HH TYR A 38 6.681 -15.321 1.839 1.00 0.00 H new ATOM 544 N GLU A 39 1.720 -13.788 6.939 1.00 0.00 N ATOM 545 CA GLU A 39 1.592 -14.491 8.186 1.00 0.00 C ATOM 546 C GLU A 39 0.651 -13.694 9.092 1.00 0.00 C ATOM 547 O GLU A 39 -0.368 -14.207 9.561 1.00 0.00 O ATOM 548 CB GLU A 39 2.977 -14.645 8.805 1.00 0.00 C ATOM 549 CG GLU A 39 3.023 -15.383 10.131 1.00 0.00 C ATOM 550 CD GLU A 39 2.494 -16.787 10.032 1.00 0.00 C ATOM 551 OE1 GLU A 39 3.140 -17.645 9.394 1.00 0.00 O ATOM 552 OE2 GLU A 39 1.440 -17.078 10.621 1.00 0.00 O ATOM 0 H GLU A 39 2.633 -13.354 6.800 1.00 0.00 H new ATOM 0 HA GLU A 39 1.173 -15.487 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.617 -15.169 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.405 -13.652 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.051 -15.411 10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.442 -14.831 10.870 1.00 0.00 H new ATOM 559 N GLU A 40 0.962 -12.428 9.282 1.00 0.00 N ATOM 560 CA GLU A 40 0.109 -11.548 10.045 1.00 0.00 C ATOM 561 C GLU A 40 -0.884 -10.936 9.086 1.00 0.00 C ATOM 562 O GLU A 40 -2.067 -10.740 9.404 1.00 0.00 O ATOM 563 CB GLU A 40 0.924 -10.432 10.721 1.00 0.00 C ATOM 564 CG GLU A 40 0.091 -9.520 11.591 1.00 0.00 C ATOM 565 CD GLU A 40 0.911 -8.570 12.421 1.00 0.00 C ATOM 566 OE1 GLU A 40 2.046 -8.915 12.810 1.00 0.00 O ATOM 567 OE2 GLU A 40 0.455 -7.452 12.675 1.00 0.00 O ATOM 0 H GLU A 40 1.805 -11.986 8.915 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.393 -12.113 10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.709 -10.883 11.328 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.418 -9.837 9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.586 -8.946 10.958 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.528 -10.127 12.252 1.00 0.00 H new ATOM 574 N GLY A 41 -0.408 -10.697 7.896 1.00 0.00 N ATOM 575 CA GLY A 41 -1.199 -10.077 6.885 1.00 0.00 C ATOM 576 C GLY A 41 -0.966 -8.595 6.865 1.00 0.00 C ATOM 577 O GLY A 41 -1.899 -7.802 6.791 1.00 0.00 O ATOM 0 H GLY A 41 0.542 -10.929 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.953 -10.502 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.254 -10.282 7.065 1.00 0.00 H new ATOM 581 N LYS A 42 0.295 -8.239 6.935 1.00 0.00 N ATOM 582 CA LYS A 42 0.739 -6.871 6.914 1.00 0.00 C ATOM 583 C LYS A 42 1.408 -6.614 5.591 1.00 0.00 C ATOM 584 O LYS A 42 1.527 -7.516 4.771 1.00 0.00 O ATOM 585 CB LYS A 42 1.782 -6.590 8.007 1.00 0.00 C ATOM 586 CG LYS A 42 1.319 -6.724 9.426 1.00 0.00 C ATOM 587 CD LYS A 42 2.357 -6.141 10.386 1.00 0.00 C ATOM 588 CE LYS A 42 3.661 -6.923 10.358 1.00 0.00 C ATOM 589 NZ LYS A 42 4.616 -6.444 11.378 1.00 0.00 N ATOM 0 H LYS A 42 1.058 -8.912 7.010 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.130 -6.234 7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.623 -7.267 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.159 -5.577 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.367 -6.209 9.554 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.147 -7.774 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.552 -5.102 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.955 -6.142 11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.453 -7.980 10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.113 -6.838 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.491 -7.004 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.835 -5.442 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.196 -6.548 12.323 1.00 0.00 H new ATOM 603 N MET A 43 1.861 -5.416 5.401 1.00 0.00 N ATOM 604 CA MET A 43 2.590 -5.040 4.221 1.00 0.00 C ATOM 605 C MET A 43 3.217 -3.681 4.413 1.00 0.00 C ATOM 606 O MET A 43 2.637 -2.800 5.065 1.00 0.00 O ATOM 607 CB MET A 43 1.696 -5.182 2.954 1.00 0.00 C ATOM 608 CG MET A 43 2.140 -4.539 1.650 1.00 0.00 C ATOM 609 SD MET A 43 1.929 -2.763 1.630 1.00 0.00 S ATOM 610 CE MET A 43 0.202 -2.613 2.106 1.00 0.00 C ATOM 0 H MET A 43 1.735 -4.656 6.069 1.00 0.00 H new ATOM 0 HA MET A 43 3.422 -5.724 4.053 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.564 -6.247 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.714 -4.778 3.200 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.190 -4.775 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.574 -4.975 0.827 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.224 -1.719 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.347 -3.491 1.765 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.129 -2.539 3.191 1.00 0.00 H new ATOM 620 N LEU A 44 4.421 -3.561 3.932 1.00 0.00 N ATOM 621 CA LEU A 44 5.179 -2.353 4.013 1.00 0.00 C ATOM 622 C LEU A 44 4.958 -1.621 2.731 1.00 0.00 C ATOM 623 O LEU A 44 5.393 -2.076 1.641 1.00 0.00 O ATOM 624 CB LEU A 44 6.674 -2.679 4.198 1.00 0.00 C ATOM 625 CG LEU A 44 7.669 -1.506 4.518 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.875 -0.541 3.376 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.239 -0.756 5.742 1.00 0.00 C ATOM 0 H LEU A 44 4.912 -4.321 3.462 1.00 0.00 H new ATOM 0 HA LEU A 44 4.868 -1.747 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.756 -3.410 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.021 -3.167 3.287 1.00 0.00 H new ATOM 0 HG LEU A 44 8.630 -1.988 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.575 0.238 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.278 -1.076 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.921 -0.087 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.945 0.050 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.245 -0.337 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.214 -1.435 6.594 1.00 0.00 H new ATOM 639 N VAL A 45 4.305 -0.531 2.833 1.00 0.00 N ATOM 640 CA VAL A 45 3.977 0.237 1.706 1.00 0.00 C ATOM 641 C VAL A 45 4.681 1.567 1.742 1.00 0.00 C ATOM 642 O VAL A 45 4.671 2.267 2.749 1.00 0.00 O ATOM 643 CB VAL A 45 2.437 0.416 1.571 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.824 0.994 2.826 1.00 0.00 C ATOM 645 CG2 VAL A 45 2.083 1.257 0.371 1.00 0.00 C ATOM 0 H VAL A 45 3.979 -0.143 3.718 1.00 0.00 H new ATOM 0 HA VAL A 45 4.321 -0.301 0.823 1.00 0.00 H new ATOM 0 HB VAL A 45 2.016 -0.579 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.748 1.102 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.017 0.327 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.264 1.970 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.000 1.362 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.538 2.243 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.455 0.775 -0.533 1.00 0.00 H new ATOM 655 N HIS A 46 5.348 1.873 0.674 1.00 0.00 N ATOM 656 CA HIS A 46 5.923 3.167 0.528 1.00 0.00 C ATOM 657 C HIS A 46 5.034 4.009 -0.314 1.00 0.00 C ATOM 658 O HIS A 46 4.896 3.774 -1.522 1.00 0.00 O ATOM 659 CB HIS A 46 7.416 3.210 0.073 1.00 0.00 C ATOM 660 CG HIS A 46 7.874 2.249 -0.965 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.388 2.625 -2.167 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.057 0.935 -0.890 1.00 0.00 C ATOM 663 CE1 HIS A 46 8.880 1.569 -2.772 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.693 0.536 -2.021 1.00 0.00 N ATOM 0 H HIS A 46 5.507 1.240 -0.110 1.00 0.00 H new ATOM 0 HA HIS A 46 5.984 3.586 1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.621 4.216 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.035 3.061 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.753 0.297 -0.073 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.362 1.565 -3.739 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.976 -0.419 -2.240 1.00 0.00 H new ATOM 673 N PHE A 47 4.388 4.945 0.331 1.00 0.00 N ATOM 674 CA PHE A 47 3.449 5.842 -0.302 1.00 0.00 C ATOM 675 C PHE A 47 4.220 6.857 -1.133 1.00 0.00 C ATOM 676 O PHE A 47 5.457 6.775 -1.247 1.00 0.00 O ATOM 677 CB PHE A 47 2.625 6.575 0.755 1.00 0.00 C ATOM 678 CG PHE A 47 1.808 5.717 1.682 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.368 5.189 2.830 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.471 5.481 1.429 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.615 4.445 3.702 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.284 4.730 2.295 1.00 0.00 C ATOM 683 CZ PHE A 47 0.288 4.215 3.433 1.00 0.00 C ATOM 0 H PHE A 47 4.500 5.111 1.331 1.00 0.00 H new ATOM 0 HA PHE A 47 2.776 5.268 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.303 7.179 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.952 7.264 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.412 5.365 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.015 5.892 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.064 4.041 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.326 4.544 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.307 3.628 4.117 1.00 0.00 H new ATOM 693 N GLU A 48 3.547 7.808 -1.705 1.00 0.00 N ATOM 694 CA GLU A 48 4.251 8.755 -2.533 1.00 0.00 C ATOM 695 C GLU A 48 4.206 10.158 -1.938 1.00 0.00 C ATOM 696 O GLU A 48 5.115 10.943 -2.123 1.00 0.00 O ATOM 697 CB GLU A 48 3.709 8.742 -3.967 1.00 0.00 C ATOM 698 CG GLU A 48 4.611 9.454 -4.967 1.00 0.00 C ATOM 699 CD GLU A 48 4.072 9.439 -6.368 1.00 0.00 C ATOM 700 OE1 GLU A 48 4.046 8.362 -7.006 1.00 0.00 O ATOM 701 OE2 GLU A 48 3.651 10.494 -6.865 1.00 0.00 O ATOM 0 H GLU A 48 2.541 7.953 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 48 5.297 8.449 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.572 7.709 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.726 9.212 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.749 10.487 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.594 8.983 -4.958 1.00 0.00 H new ATOM 708 N ARG A 49 3.163 10.464 -1.200 1.00 0.00 N ATOM 709 CA ARG A 49 3.015 11.808 -0.656 1.00 0.00 C ATOM 710 C ARG A 49 2.911 11.751 0.859 1.00 0.00 C ATOM 711 O ARG A 49 2.630 12.750 1.511 1.00 0.00 O ATOM 712 CB ARG A 49 1.788 12.488 -1.288 1.00 0.00 C ATOM 713 CG ARG A 49 1.879 12.547 -2.811 1.00 0.00 C ATOM 714 CD ARG A 49 0.590 12.992 -3.483 1.00 0.00 C ATOM 715 NE ARG A 49 0.278 14.412 -3.306 1.00 0.00 N ATOM 716 CZ ARG A 49 -0.709 15.048 -3.957 1.00 0.00 C ATOM 717 NH1 ARG A 49 -1.526 14.373 -4.752 1.00 0.00 N ATOM 718 NH2 ARG A 49 -0.899 16.344 -3.787 1.00 0.00 N ATOM 0 H ARG A 49 2.412 9.817 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 49 3.894 12.404 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.887 11.946 -1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.692 13.499 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.680 13.231 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.154 11.562 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.657 12.777 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.235 12.399 -3.089 1.00 0.00 H new ATOM 0 HE ARG A 49 0.844 14.949 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.406 13.367 -4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.275 14.859 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.293 16.870 -3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.651 16.819 -4.286 1.00 0.00 H new ATOM 732 N TRP A 50 3.219 10.581 1.403 1.00 0.00 N ATOM 733 CA TRP A 50 3.133 10.289 2.837 1.00 0.00 C ATOM 734 C TRP A 50 4.063 11.209 3.623 1.00 0.00 C ATOM 735 O TRP A 50 5.276 11.187 3.427 1.00 0.00 O ATOM 736 CB TRP A 50 3.533 8.831 3.058 1.00 0.00 C ATOM 737 CG TRP A 50 3.151 8.232 4.385 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.973 7.603 5.278 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.838 8.175 4.941 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.244 7.151 6.348 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.932 7.495 6.168 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.591 8.630 4.519 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.824 7.260 6.976 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.501 8.400 5.314 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.382 7.721 6.533 1.00 0.00 C ATOM 0 H TRP A 50 3.544 9.787 0.851 1.00 0.00 H new ATOM 0 HA TRP A 50 2.114 10.456 3.186 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.084 8.229 2.268 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.614 8.751 2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.039 7.480 5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.619 6.641 7.148 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.487 9.155 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.914 6.734 7.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.472 8.749 4.995 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.263 7.559 7.136 1.00 0.00 H new ATOM 756 N SER A 51 3.497 12.007 4.493 1.00 0.00 N ATOM 757 CA SER A 51 4.254 12.971 5.255 1.00 0.00 C ATOM 758 C SER A 51 4.771 12.399 6.579 1.00 0.00 C ATOM 759 O SER A 51 5.463 13.090 7.328 1.00 0.00 O ATOM 760 CB SER A 51 3.368 14.176 5.503 1.00 0.00 C ATOM 761 OG SER A 51 2.091 13.745 5.968 1.00 0.00 O ATOM 0 H SER A 51 2.497 12.007 4.694 1.00 0.00 H new ATOM 0 HA SER A 51 5.138 13.253 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.830 14.834 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.256 14.752 4.585 1.00 0.00 H new ATOM 0 HG SER A 51 1.470 13.687 5.212 1.00 0.00 H new ATOM 767 N HIS A 52 4.448 11.151 6.867 1.00 0.00 N ATOM 768 CA HIS A 52 4.869 10.565 8.127 1.00 0.00 C ATOM 769 C HIS A 52 6.300 10.076 8.030 1.00 0.00 C ATOM 770 O HIS A 52 7.189 10.659 8.624 1.00 0.00 O ATOM 771 CB HIS A 52 3.952 9.420 8.553 1.00 0.00 C ATOM 772 CG HIS A 52 4.155 8.955 9.976 1.00 0.00 C ATOM 773 ND1 HIS A 52 4.203 7.630 10.332 1.00 0.00 N ATOM 774 CD2 HIS A 52 4.276 9.648 11.131 1.00 0.00 C ATOM 775 CE1 HIS A 52 4.348 7.525 11.628 1.00 0.00 C ATOM 776 NE2 HIS A 52 4.397 8.732 12.137 1.00 0.00 N ATOM 0 H HIS A 52 3.907 10.535 6.260 1.00 0.00 H new ATOM 0 HA HIS A 52 4.806 11.344 8.887 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.916 9.736 8.431 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.109 8.576 7.882 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.136 6.845 9.684 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.277 10.723 11.238 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.416 6.601 12.184 1.00 0.00 H new ATOM 785 N ARG A 53 6.510 8.997 7.282 1.00 0.00 N ATOM 786 CA ARG A 53 7.833 8.402 7.142 1.00 0.00 C ATOM 787 C ARG A 53 8.009 7.810 5.745 1.00 0.00 C ATOM 788 O ARG A 53 8.904 6.989 5.525 1.00 0.00 O ATOM 789 CB ARG A 53 8.023 7.282 8.163 1.00 0.00 C ATOM 790 CG ARG A 53 7.997 7.690 9.632 1.00 0.00 C ATOM 791 CD ARG A 53 8.258 6.488 10.520 1.00 0.00 C ATOM 792 NE ARG A 53 7.300 5.405 10.257 1.00 0.00 N ATOM 793 CZ ARG A 53 7.617 4.226 9.705 1.00 0.00 C ATOM 794 NH1 ARG A 53 8.873 3.941 9.398 1.00 0.00 N ATOM 795 NH2 ARG A 53 6.678 3.354 9.459 1.00 0.00 N ATOM 0 H ARG A 53 5.777 8.516 6.762 1.00 0.00 H new ATOM 0 HA ARG A 53 8.570 9.188 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.244 6.537 8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.977 6.794 7.961 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.750 8.456 9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.029 8.128 9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.273 6.126 10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.193 6.786 11.566 1.00 0.00 H new ATOM 0 HE ARG A 53 6.325 5.562 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.610 4.622 9.581 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.104 3.041 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.708 3.571 9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.914 2.455 9.039 1.00 0.00 H new ATOM 809 N TYR A 54 7.189 8.276 4.801 1.00 0.00 N ATOM 810 CA TYR A 54 7.104 7.743 3.413 1.00 0.00 C ATOM 811 C TYR A 54 6.606 6.288 3.342 1.00 0.00 C ATOM 812 O TYR A 54 5.628 5.999 2.650 1.00 0.00 O ATOM 813 CB TYR A 54 8.395 7.956 2.603 1.00 0.00 C ATOM 814 CG TYR A 54 8.703 9.416 2.374 1.00 0.00 C ATOM 815 CD1 TYR A 54 7.937 10.173 1.497 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.737 10.044 3.046 1.00 0.00 C ATOM 817 CE1 TYR A 54 8.193 11.512 1.302 1.00 0.00 C ATOM 818 CE2 TYR A 54 10.002 11.383 2.853 1.00 0.00 C ATOM 819 CZ TYR A 54 9.226 12.113 1.982 1.00 0.00 C ATOM 820 OH TYR A 54 9.476 13.465 1.802 1.00 0.00 O ATOM 0 H TYR A 54 6.547 9.050 4.970 1.00 0.00 H new ATOM 0 HA TYR A 54 6.335 8.346 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.229 7.490 3.127 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.303 7.453 1.641 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.127 9.704 0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.346 9.476 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.586 12.087 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.815 11.857 3.383 1.00 0.00 H new ATOM 0 HH TYR A 54 10.239 13.733 2.356 1.00 0.00 H new ATOM 830 N ASP A 55 7.256 5.398 4.045 1.00 0.00 N ATOM 831 CA ASP A 55 6.824 4.015 4.124 1.00 0.00 C ATOM 832 C ASP A 55 6.184 3.769 5.466 1.00 0.00 C ATOM 833 O ASP A 55 6.515 4.444 6.452 1.00 0.00 O ATOM 834 CB ASP A 55 7.966 3.004 3.874 1.00 0.00 C ATOM 835 CG ASP A 55 9.083 3.030 4.899 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.029 2.288 5.910 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.079 3.751 4.673 1.00 0.00 O ATOM 0 H ASP A 55 8.099 5.604 4.580 1.00 0.00 H new ATOM 0 HA ASP A 55 6.100 3.854 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.542 2.000 3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.392 3.197 2.890 1.00 0.00 H new ATOM 842 N GLU A 56 5.257 2.849 5.498 1.00 0.00 N ATOM 843 CA GLU A 56 4.521 2.544 6.696 1.00 0.00 C ATOM 844 C GLU A 56 4.055 1.086 6.605 1.00 0.00 C ATOM 845 O GLU A 56 3.926 0.549 5.490 1.00 0.00 O ATOM 846 CB GLU A 56 3.292 3.458 6.740 1.00 0.00 C ATOM 847 CG GLU A 56 2.709 3.681 8.111 1.00 0.00 C ATOM 848 CD GLU A 56 3.620 4.512 8.974 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.838 5.711 8.662 1.00 0.00 O ATOM 850 OE2 GLU A 56 4.158 3.986 9.972 1.00 0.00 O ATOM 0 H GLU A 56 4.990 2.287 4.690 1.00 0.00 H new ATOM 0 HA GLU A 56 5.134 2.691 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.562 4.425 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.520 3.033 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.742 4.176 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.530 2.719 8.591 1.00 0.00 H new ATOM 857 N TRP A 57 3.829 0.442 7.738 1.00 0.00 N ATOM 858 CA TRP A 57 3.291 -0.899 7.741 1.00 0.00 C ATOM 859 C TRP A 57 1.827 -0.846 7.926 1.00 0.00 C ATOM 860 O TRP A 57 1.328 -0.222 8.871 1.00 0.00 O ATOM 861 CB TRP A 57 3.842 -1.763 8.865 1.00 0.00 C ATOM 862 CG TRP A 57 5.280 -2.135 8.741 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.352 -1.436 9.204 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.803 -3.314 8.126 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.515 -2.097 8.902 1.00 0.00 N ATOM 866 CE2 TRP A 57 7.205 -3.259 8.241 1.00 0.00 C ATOM 867 CE3 TRP A 57 5.219 -4.408 7.482 1.00 0.00 C ATOM 868 CZ2 TRP A 57 8.031 -4.260 7.736 1.00 0.00 C ATOM 869 CZ3 TRP A 57 6.038 -5.396 6.984 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.425 -5.318 7.112 1.00 0.00 C ATOM 0 H TRP A 57 4.011 0.829 8.664 1.00 0.00 H new ATOM 0 HA TRP A 57 3.576 -1.338 6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.701 -1.235 9.808 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.251 -2.677 8.920 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.295 -0.496 9.733 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.456 -1.777 9.131 1.00 0.00 H new ATOM 0 HE3 TRP A 57 4.146 -4.477 7.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 9.105 -4.204 7.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.599 -6.247 6.485 1.00 0.00 H new ATOM 0 HH2 TRP A 57 8.036 -6.112 6.709 1.00 0.00 H new ATOM 881 N ILE A 58 1.131 -1.466 7.049 1.00 0.00 N ATOM 882 CA ILE A 58 -0.272 -1.596 7.185 1.00 0.00 C ATOM 883 C ILE A 58 -0.572 -3.065 6.924 1.00 0.00 C ATOM 884 O ILE A 58 0.246 -3.924 7.226 1.00 0.00 O ATOM 885 CB ILE A 58 -1.073 -0.707 6.175 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.358 0.611 5.899 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.457 -0.377 6.785 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.054 1.440 4.859 1.00 0.00 C ATOM 0 H ILE A 58 1.519 -1.900 6.212 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.579 -1.264 8.177 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.167 -1.262 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.286 1.182 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.661 0.405 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.023 0.242 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.002 -1.302 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.322 0.162 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.502 2.367 4.703 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.102 0.884 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.064 1.672 5.195 1.00 0.00 H new ATOM 900 N TYR A 59 -1.688 -3.319 6.344 1.00 0.00 N ATOM 901 CA TYR A 59 -2.204 -4.633 6.074 1.00 0.00 C ATOM 902 C TYR A 59 -2.727 -4.598 4.654 1.00 0.00 C ATOM 903 O TYR A 59 -2.313 -3.745 3.872 1.00 0.00 O ATOM 904 CB TYR A 59 -3.374 -4.921 7.048 1.00 0.00 C ATOM 905 CG TYR A 59 -3.014 -4.784 8.514 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.531 -5.862 9.235 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.147 -3.564 9.168 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.187 -5.731 10.559 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.808 -3.426 10.491 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.330 -4.512 11.182 1.00 0.00 C ATOM 911 OH TYR A 59 -1.974 -4.376 12.497 1.00 0.00 O ATOM 0 H TYR A 59 -2.311 -2.579 6.022 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.443 -5.404 6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.195 -4.240 6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.740 -5.932 6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.423 -6.821 8.750 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.524 -2.710 8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.807 -6.580 11.108 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.916 -2.471 10.984 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.135 -3.454 12.786 1.00 0.00 H new ATOM 921 N TRP A 60 -3.640 -5.484 4.332 1.00 0.00 N ATOM 922 CA TRP A 60 -4.299 -5.483 3.029 1.00 0.00 C ATOM 923 C TRP A 60 -5.409 -4.405 3.099 1.00 0.00 C ATOM 924 O TRP A 60 -5.265 -3.439 3.871 1.00 0.00 O ATOM 925 CB TRP A 60 -4.902 -6.874 2.782 1.00 0.00 C ATOM 926 CG TRP A 60 -3.961 -8.015 3.103 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.222 -9.068 3.928 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.601 -8.196 2.651 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.134 -9.900 3.991 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.129 -9.388 3.231 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.743 -7.475 1.813 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.849 -9.874 3.005 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.469 -7.965 1.595 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.039 -9.151 2.190 1.00 0.00 C ATOM 0 H TRP A 60 -3.952 -6.227 4.957 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.609 -5.262 2.214 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.805 -6.980 3.384 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.204 -6.948 1.737 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.151 -9.224 4.456 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.086 -10.768 4.525 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.069 -6.557 1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.510 -10.793 3.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.206 -7.419 0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.964 -9.503 1.997 1.00 0.00 H new ATOM 945 N ASP A 61 -6.500 -4.512 2.324 1.00 0.00 N ATOM 946 CA ASP A 61 -7.595 -3.525 2.491 1.00 0.00 C ATOM 947 C ASP A 61 -8.321 -3.774 3.793 1.00 0.00 C ATOM 948 O ASP A 61 -9.303 -4.498 3.885 1.00 0.00 O ATOM 949 CB ASP A 61 -8.566 -3.379 1.287 1.00 0.00 C ATOM 950 CG ASP A 61 -9.252 -4.645 0.842 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.576 -5.598 0.435 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.498 -4.709 0.882 1.00 0.00 O ATOM 0 H ASP A 61 -6.652 -5.227 1.612 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.109 -2.550 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.330 -2.646 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.009 -2.973 0.442 1.00 0.00 H new ATOM 957 N SER A 62 -7.726 -3.251 4.812 1.00 0.00 N ATOM 958 CA SER A 62 -8.139 -3.414 6.146 1.00 0.00 C ATOM 959 C SER A 62 -8.065 -2.076 6.861 1.00 0.00 C ATOM 960 O SER A 62 -8.167 -2.010 8.079 1.00 0.00 O ATOM 961 CB SER A 62 -7.160 -4.406 6.779 1.00 0.00 C ATOM 962 OG SER A 62 -7.233 -5.678 6.130 1.00 0.00 O ATOM 0 H SER A 62 -6.894 -2.668 4.720 1.00 0.00 H new ATOM 0 HA SER A 62 -9.164 -3.778 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.145 -4.016 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.386 -4.520 7.839 1.00 0.00 H new ATOM 0 HG SER A 62 -6.598 -6.296 6.549 1.00 0.00 H new ATOM 968 N ASN A 63 -7.907 -1.001 6.095 1.00 0.00 N ATOM 969 CA ASN A 63 -7.740 0.317 6.689 1.00 0.00 C ATOM 970 C ASN A 63 -7.954 1.388 5.628 1.00 0.00 C ATOM 971 O ASN A 63 -8.922 2.127 5.674 1.00 0.00 O ATOM 972 CB ASN A 63 -6.341 0.465 7.298 1.00 0.00 C ATOM 973 CG ASN A 63 -6.249 1.648 8.229 1.00 0.00 C ATOM 974 OD1 ASN A 63 -6.003 2.759 7.806 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.372 1.402 9.488 1.00 0.00 N ATOM 0 H ASN A 63 -7.891 -1.017 5.075 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.477 0.436 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.085 -0.444 7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.608 0.576 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.262 2.154 10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.579 0.455 9.805 1.00 0.00 H new ATOM 982 N ARG A 64 -7.038 1.459 4.666 1.00 0.00 N ATOM 983 CA ARG A 64 -7.158 2.391 3.536 1.00 0.00 C ATOM 984 C ARG A 64 -6.348 1.847 2.361 1.00 0.00 C ATOM 985 O ARG A 64 -5.533 2.534 1.747 1.00 0.00 O ATOM 986 CB ARG A 64 -6.759 3.877 3.892 1.00 0.00 C ATOM 987 CG ARG A 64 -5.290 4.208 4.102 1.00 0.00 C ATOM 988 CD ARG A 64 -4.635 3.461 5.208 1.00 0.00 C ATOM 989 NE ARG A 64 -3.337 4.047 5.579 1.00 0.00 N ATOM 990 CZ ARG A 64 -2.669 3.774 6.709 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.260 3.082 7.668 1.00 0.00 N ATOM 992 NH2 ARG A 64 -1.447 4.256 6.899 1.00 0.00 N ATOM 0 H ARG A 64 -6.198 0.881 4.642 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.211 2.451 3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.132 4.520 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.293 4.154 4.801 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.751 4.006 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.197 5.276 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.291 3.454 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.491 2.423 4.909 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.915 4.710 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.220 2.759 7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.756 2.872 8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.011 4.838 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.944 4.045 7.761 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.588 0.610 2.046 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.849 -0.054 0.992 1.00 0.00 C ATOM 1008 C LEU A 65 -6.766 -0.446 -0.133 1.00 0.00 C ATOM 1009 O LEU A 65 -7.967 -0.626 0.065 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.052 -1.265 1.513 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.693 -0.983 2.176 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.773 -0.218 1.235 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.849 -0.250 3.490 1.00 0.00 C ATOM 0 H LEU A 65 -7.292 0.029 2.501 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.119 0.658 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.675 -1.794 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.885 -1.944 0.677 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.234 -1.948 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.820 -0.032 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.605 -0.806 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.235 0.733 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.866 -0.070 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.349 0.703 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.444 -0.854 4.175 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.225 -0.512 -1.303 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.963 -0.862 -2.464 1.00 0.00 C ATOM 1027 C ARG A 66 -6.172 -1.939 -3.204 1.00 0.00 C ATOM 1028 O ARG A 66 -5.041 -1.661 -3.773 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.112 0.357 -3.335 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.282 0.361 -4.278 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.549 0.646 -3.528 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.668 0.987 -4.403 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.904 1.263 -3.955 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -12.201 1.090 -2.667 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.841 1.696 -4.797 1.00 0.00 N ATOM 0 H ARG A 66 -5.239 -0.320 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.955 -1.233 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.190 1.232 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.200 0.473 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.132 1.113 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.357 -0.603 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.815 -0.226 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.376 1.467 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.502 1.017 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.490 0.748 -2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.140 1.300 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.621 1.819 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.778 1.905 -4.453 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.700 -3.181 -3.149 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.099 -4.355 -3.759 1.00 0.00 C ATOM 1051 C PRO A 67 -6.322 -4.407 -5.262 1.00 0.00 C ATOM 1052 O PRO A 67 -6.749 -3.415 -5.885 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.814 -5.511 -3.065 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.161 -4.976 -2.781 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.965 -3.528 -2.464 1.00 0.00 C ATOM 0 HA PRO A 67 -5.016 -4.372 -3.639 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.861 -6.393 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.301 -5.807 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.821 -5.103 -3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.622 -5.501 -1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.795 -2.923 -2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.896 -3.360 -1.389 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.028 -5.533 -5.840 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.090 -5.685 -7.252 1.00 0.00 C ATOM 1065 C LEU A 68 -7.442 -6.251 -7.645 1.00 0.00 C ATOM 1066 O LEU A 68 -8.194 -6.754 -6.807 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.962 -6.632 -7.709 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.693 -6.739 -9.210 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -4.168 -5.423 -9.758 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.715 -7.863 -9.493 1.00 0.00 C ATOM 0 H LEU A 68 -5.738 -6.372 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.962 -4.716 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.039 -6.314 -7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.190 -7.631 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.634 -6.964 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.983 -5.522 -10.828 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.905 -4.638 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.238 -5.163 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.534 -7.926 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.775 -7.666 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.132 -8.806 -9.139 1.00 0.00 H new ATOM 1082 N GLU A 69 -7.727 -6.163 -8.912 1.00 0.00 N ATOM 1083 CA GLU A 69 -8.911 -6.722 -9.547 1.00 0.00 C ATOM 1084 C GLU A 69 -8.881 -8.259 -9.522 1.00 0.00 C ATOM 1085 O GLU A 69 -9.873 -8.912 -9.878 1.00 0.00 O ATOM 1086 CB GLU A 69 -8.928 -6.212 -10.973 1.00 0.00 C ATOM 1087 CG GLU A 69 -7.621 -6.498 -11.692 1.00 0.00 C ATOM 1088 CD GLU A 69 -7.426 -5.656 -12.900 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -7.852 -6.058 -13.986 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -6.798 -4.574 -12.770 1.00 0.00 O ATOM 0 H GLU A 69 -7.118 -5.679 -9.572 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.810 -6.417 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.750 -6.678 -11.516 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.115 -5.138 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.791 -6.335 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.594 -7.549 -11.980 1.00 0.00 H new ATOM 1097 N ARG A 70 -7.732 -8.803 -9.104 1.00 0.00 N ATOM 1098 CA ARG A 70 -7.475 -10.229 -8.961 1.00 0.00 C ATOM 1099 C ARG A 70 -7.328 -10.946 -10.286 1.00 0.00 C ATOM 1100 O ARG A 70 -8.272 -11.016 -11.080 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.482 -10.931 -8.047 1.00 0.00 C ATOM 1102 CG ARG A 70 -8.344 -10.554 -6.587 1.00 0.00 C ATOM 1103 CD ARG A 70 -9.314 -11.326 -5.718 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.222 -12.772 -5.962 1.00 0.00 N ATOM 1105 CZ ARG A 70 -8.661 -13.673 -5.142 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -8.032 -13.280 -4.033 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -8.690 -14.962 -5.461 1.00 0.00 N ATOM 0 H ARG A 70 -6.927 -8.232 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.506 -10.291 -8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.491 -10.691 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.361 -12.010 -8.148 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.324 -10.748 -6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.520 -9.485 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.107 -11.119 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.331 -10.987 -5.916 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.621 -13.122 -6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.975 -12.288 -3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.608 -13.972 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.138 -15.263 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.265 -15.651 -4.840 1.00 0.00 H new TER 1121 ARG A 70