USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 70 LYS NZ :NH3+ -137:sc= 0.0289 (180deg=-0.251) USER MOD Set 1.2: A 73 MET CE :methyl -125:sc= 0 (180deg=-1.27) USER MOD Set 2.1: A 47 ASN : amide:sc= -1.73 K(o=-3.1,f=-2.2) USER MOD Set 2.2: A 55 ASN : amide:sc= -1.32 K(o=-3.1,f=-0.61) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -111:sc= -0.0757 (180deg=-3.2!) USER MOD Single : A 28 THR OG1 : rot 165:sc= -4.37! USER MOD Single : A 38 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0833) USER MOD Single : A 46 GLN : amide:sc=-0.00946 K(o=-0.0095,f=-1) USER MOD Single : A 49 ASN : amide:sc= -0.182 K(o=-0.18,f=-3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -33:sc= -1.48 USER MOD Single : A 61 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 75 SER OG : rot 82:sc= 0.0643 USER MOD Single : A 76 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.94) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.111 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.17! C(o=-3.2!,f=-6.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 47:sc= 0.263 USER MOD Single : A 92 SER OG : rot 34:sc= 0.0724 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.844 -31.941 -17.410 1.00 0.00 N ATOM 2 CA GLY A 1 -12.204 -32.860 -16.485 1.00 0.00 C ATOM 3 C GLY A 1 -12.180 -32.284 -15.068 1.00 0.00 C ATOM 4 O GLY A 1 -11.122 -31.913 -14.562 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.848 -32.355 -18.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.823 -31.767 -17.105 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.321 -31.042 -17.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.736 -33.811 -16.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.186 -33.064 -16.816 1.00 0.00 H new ATOM 8 N SER A 2 -13.360 -32.227 -14.466 1.00 0.00 N ATOM 9 CA SER A 2 -13.488 -31.702 -13.118 1.00 0.00 C ATOM 10 C SER A 2 -13.117 -30.218 -13.096 1.00 0.00 C ATOM 11 O SER A 2 -11.949 -29.864 -13.246 1.00 0.00 O ATOM 12 CB SER A 2 -12.609 -32.483 -12.137 1.00 0.00 C ATOM 13 OG SER A 2 -12.992 -32.258 -10.783 1.00 0.00 O ATOM 0 H SER A 2 -14.236 -32.536 -14.888 1.00 0.00 H new ATOM 0 HA SER A 2 -14.526 -31.815 -12.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.674 -33.548 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.567 -32.192 -12.272 1.00 0.00 H new ATOM 0 HG SER A 2 -12.409 -32.774 -10.188 1.00 0.00 H new ATOM 19 N SER A 3 -14.135 -29.390 -12.910 1.00 0.00 N ATOM 20 CA SER A 3 -13.931 -27.952 -12.867 1.00 0.00 C ATOM 21 C SER A 3 -12.802 -27.612 -11.892 1.00 0.00 C ATOM 22 O SER A 3 -12.523 -28.377 -10.969 1.00 0.00 O ATOM 23 CB SER A 3 -15.216 -27.225 -12.466 1.00 0.00 C ATOM 24 OG SER A 3 -15.475 -27.331 -11.068 1.00 0.00 O ATOM 0 H SER A 3 -15.103 -29.688 -12.787 1.00 0.00 H new ATOM 0 HA SER A 3 -13.653 -27.616 -13.866 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.139 -26.173 -12.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.056 -27.640 -13.023 1.00 0.00 H new ATOM 0 HG SER A 3 -16.303 -26.853 -10.851 1.00 0.00 H new ATOM 30 N GLY A 4 -12.184 -26.465 -12.129 1.00 0.00 N ATOM 31 CA GLY A 4 -11.091 -26.014 -11.283 1.00 0.00 C ATOM 32 C GLY A 4 -10.684 -24.581 -11.630 1.00 0.00 C ATOM 33 O GLY A 4 -11.517 -23.676 -11.623 1.00 0.00 O ATOM 0 H GLY A 4 -12.419 -25.834 -12.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.391 -26.067 -10.236 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.235 -26.678 -11.404 1.00 0.00 H new ATOM 37 N SER A 5 -9.402 -24.420 -11.926 1.00 0.00 N ATOM 38 CA SER A 5 -8.874 -23.112 -12.275 1.00 0.00 C ATOM 39 C SER A 5 -9.112 -22.128 -11.128 1.00 0.00 C ATOM 40 O SER A 5 -9.885 -22.410 -10.214 1.00 0.00 O ATOM 41 CB SER A 5 -9.509 -22.588 -13.565 1.00 0.00 C ATOM 42 OG SER A 5 -9.429 -23.539 -14.623 1.00 0.00 O ATOM 0 H SER A 5 -8.714 -25.173 -11.931 1.00 0.00 H new ATOM 0 HA SER A 5 -7.802 -23.210 -12.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.554 -22.339 -13.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.010 -21.667 -13.867 1.00 0.00 H new ATOM 0 HG SER A 5 -9.846 -23.168 -15.428 1.00 0.00 H new ATOM 48 N SER A 6 -8.435 -20.993 -11.214 1.00 0.00 N ATOM 49 CA SER A 6 -8.563 -19.965 -10.195 1.00 0.00 C ATOM 50 C SER A 6 -8.591 -18.581 -10.848 1.00 0.00 C ATOM 51 O SER A 6 -7.762 -18.279 -11.705 1.00 0.00 O ATOM 52 CB SER A 6 -7.421 -20.050 -9.180 1.00 0.00 C ATOM 53 OG SER A 6 -7.515 -19.034 -8.186 1.00 0.00 O ATOM 0 H SER A 6 -7.795 -20.762 -11.974 1.00 0.00 H new ATOM 0 HA SER A 6 -9.500 -20.127 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.434 -21.029 -8.701 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.467 -19.962 -9.699 1.00 0.00 H new ATOM 0 HG SER A 6 -6.770 -19.123 -7.556 1.00 0.00 H new ATOM 59 N GLY A 7 -9.552 -17.778 -10.417 1.00 0.00 N ATOM 60 CA GLY A 7 -9.699 -16.434 -10.948 1.00 0.00 C ATOM 61 C GLY A 7 -9.212 -15.390 -9.941 1.00 0.00 C ATOM 62 O GLY A 7 -8.299 -14.619 -10.234 1.00 0.00 O ATOM 0 H GLY A 7 -10.237 -18.033 -9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.133 -16.342 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.745 -16.248 -11.193 1.00 0.00 H new ATOM 66 N VAL A 8 -9.843 -15.399 -8.776 1.00 0.00 N ATOM 67 CA VAL A 8 -9.485 -14.462 -7.725 1.00 0.00 C ATOM 68 C VAL A 8 -7.983 -14.562 -7.448 1.00 0.00 C ATOM 69 O VAL A 8 -7.365 -15.590 -7.721 1.00 0.00 O ATOM 70 CB VAL A 8 -10.340 -14.719 -6.482 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.828 -14.552 -6.797 1.00 0.00 C ATOM 72 CG2 VAL A 8 -10.056 -16.104 -5.897 1.00 0.00 C ATOM 0 H VAL A 8 -10.600 -16.040 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.690 -13.439 -8.039 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.070 -13.977 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.414 -14.740 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.014 -13.536 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.117 -15.261 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.677 -16.261 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.284 -16.867 -6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.005 -16.172 -5.618 1.00 0.00 H new ATOM 82 N PRO A 9 -7.426 -13.452 -6.894 1.00 0.00 N ATOM 83 CA PRO A 9 -6.009 -13.405 -6.577 1.00 0.00 C ATOM 84 C PRO A 9 -5.699 -14.227 -5.324 1.00 0.00 C ATOM 85 O PRO A 9 -6.611 -14.698 -4.646 1.00 0.00 O ATOM 86 CB PRO A 9 -5.692 -11.928 -6.412 1.00 0.00 C ATOM 87 CG PRO A 9 -7.027 -11.238 -6.183 1.00 0.00 C ATOM 88 CD PRO A 9 -8.127 -12.217 -6.557 1.00 0.00 C ATOM 0 HA PRO A 9 -5.389 -13.847 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.019 -11.765 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.196 -11.534 -7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.125 -10.933 -5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.098 -10.334 -6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.820 -12.368 -5.730 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.712 -11.851 -7.401 1.00 0.00 H new ATOM 96 N GLU A 10 -4.410 -14.375 -5.056 1.00 0.00 N ATOM 97 CA GLU A 10 -3.970 -15.132 -3.896 1.00 0.00 C ATOM 98 C GLU A 10 -3.355 -14.196 -2.854 1.00 0.00 C ATOM 99 O GLU A 10 -2.366 -13.517 -3.130 1.00 0.00 O ATOM 100 CB GLU A 10 -2.981 -16.227 -4.301 1.00 0.00 C ATOM 101 CG GLU A 10 -1.615 -15.633 -4.649 1.00 0.00 C ATOM 102 CD GLU A 10 -0.823 -16.574 -5.558 1.00 0.00 C ATOM 103 OE1 GLU A 10 -0.345 -17.603 -5.031 1.00 0.00 O ATOM 104 OE2 GLU A 10 -0.712 -16.245 -6.758 1.00 0.00 O ATOM 0 H GLU A 10 -3.657 -13.984 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.839 -15.618 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.873 -16.943 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.372 -16.776 -5.158 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.748 -14.671 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.052 -15.446 -3.734 1.00 0.00 H new ATOM 111 N LYS A 11 -3.965 -14.189 -1.678 1.00 0.00 N ATOM 112 CA LYS A 11 -3.490 -13.348 -0.593 1.00 0.00 C ATOM 113 C LYS A 11 -1.975 -13.511 -0.452 1.00 0.00 C ATOM 114 O LYS A 11 -1.414 -14.520 -0.878 1.00 0.00 O ATOM 115 CB LYS A 11 -4.262 -13.646 0.694 1.00 0.00 C ATOM 116 CG LYS A 11 -5.716 -13.185 0.579 1.00 0.00 C ATOM 117 CD LYS A 11 -6.237 -12.673 1.924 1.00 0.00 C ATOM 118 CE LYS A 11 -7.420 -13.513 2.409 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.430 -12.654 3.067 1.00 0.00 N ATOM 0 H LYS A 11 -4.785 -14.753 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.679 -12.298 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.231 -14.716 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.783 -13.144 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.793 -12.396 -0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.337 -14.012 0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.437 -12.704 2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.542 -11.631 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.872 -14.036 1.566 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.071 -14.274 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.226 -13.240 3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.999 -12.174 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.775 -11.943 2.391 1.00 0.00 H new ATOM 133 N PHE A 12 -1.356 -12.504 0.146 1.00 0.00 N ATOM 134 CA PHE A 12 0.083 -12.523 0.347 1.00 0.00 C ATOM 135 C PHE A 12 0.443 -12.086 1.769 1.00 0.00 C ATOM 136 O PHE A 12 -0.184 -11.184 2.322 1.00 0.00 O ATOM 137 CB PHE A 12 0.688 -11.531 -0.648 1.00 0.00 C ATOM 138 CG PHE A 12 0.147 -11.671 -2.072 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.746 -12.524 -2.946 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.932 -10.942 -2.465 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.244 -12.654 -4.268 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.434 -11.072 -3.787 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.835 -11.925 -4.661 1.00 0.00 C ATOM 0 H PHE A 12 -1.825 -11.669 0.498 1.00 0.00 H new ATOM 0 HA PHE A 12 0.466 -13.532 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.498 -10.517 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.770 -11.664 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.603 -13.102 -2.635 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.407 -10.264 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.719 -13.332 -4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.291 -10.494 -4.098 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.216 -12.023 -5.667 1.00 0.00 H new ATOM 153 N LYS A 13 1.452 -12.745 2.319 1.00 0.00 N ATOM 154 CA LYS A 13 1.903 -12.436 3.665 1.00 0.00 C ATOM 155 C LYS A 13 2.626 -11.087 3.658 1.00 0.00 C ATOM 156 O LYS A 13 2.949 -10.558 2.596 1.00 0.00 O ATOM 157 CB LYS A 13 2.747 -13.583 4.224 1.00 0.00 C ATOM 158 CG LYS A 13 1.859 -14.687 4.802 1.00 0.00 C ATOM 159 CD LYS A 13 2.638 -15.557 5.789 1.00 0.00 C ATOM 160 CE LYS A 13 1.852 -15.751 7.088 1.00 0.00 C ATOM 161 NZ LYS A 13 2.639 -15.272 8.246 1.00 0.00 N ATOM 0 H LYS A 13 1.970 -13.492 1.857 1.00 0.00 H new ATOM 0 HA LYS A 13 1.052 -12.339 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.377 -13.994 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.413 -13.205 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.000 -14.242 5.304 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.471 -15.307 3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.847 -16.527 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.600 -15.093 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.908 -15.209 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.607 -16.805 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.091 -15.411 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.529 -15.807 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.851 -14.261 8.127 1.00 0.00 H new ATOM 175 N LEU A 14 2.857 -10.570 4.856 1.00 0.00 N ATOM 176 CA LEU A 14 3.536 -9.294 5.002 1.00 0.00 C ATOM 177 C LEU A 14 4.859 -9.505 5.739 1.00 0.00 C ATOM 178 O LEU A 14 4.987 -10.430 6.540 1.00 0.00 O ATOM 179 CB LEU A 14 2.615 -8.271 5.672 1.00 0.00 C ATOM 180 CG LEU A 14 1.556 -7.631 4.772 1.00 0.00 C ATOM 181 CD1 LEU A 14 0.157 -8.137 5.127 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.644 -6.104 4.823 1.00 0.00 C ATOM 0 H LEU A 14 2.586 -11.012 5.734 1.00 0.00 H new ATOM 0 HA LEU A 14 3.779 -8.878 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.109 -8.758 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.232 -7.478 6.094 1.00 0.00 H new ATOM 0 HG LEU A 14 1.755 -7.931 3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.577 -7.667 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.118 -9.219 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.068 -7.887 6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.881 -5.674 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.485 -5.764 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.630 -5.785 4.484 1.00 0.00 H new ATOM 194 N SER A 15 5.812 -8.634 5.441 1.00 0.00 N ATOM 195 CA SER A 15 7.121 -8.714 6.065 1.00 0.00 C ATOM 196 C SER A 15 7.077 -8.079 7.457 1.00 0.00 C ATOM 197 O SER A 15 6.096 -7.431 7.817 1.00 0.00 O ATOM 198 CB SER A 15 8.185 -8.031 5.204 1.00 0.00 C ATOM 199 OG SER A 15 8.967 -8.972 4.474 1.00 0.00 O ATOM 0 H SER A 15 5.703 -7.869 4.775 1.00 0.00 H new ATOM 0 HA SER A 15 7.390 -9.766 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.702 -7.344 4.509 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.838 -7.434 5.841 1.00 0.00 H new ATOM 0 HG SER A 15 9.633 -8.496 3.936 1.00 0.00 H new ATOM 205 N THR A 16 8.153 -8.287 8.201 1.00 0.00 N ATOM 206 CA THR A 16 8.250 -7.743 9.545 1.00 0.00 C ATOM 207 C THR A 16 8.063 -6.225 9.521 1.00 0.00 C ATOM 208 O THR A 16 7.333 -5.672 10.343 1.00 0.00 O ATOM 209 CB THR A 16 9.592 -8.180 10.137 1.00 0.00 C ATOM 210 OG1 THR A 16 9.378 -9.537 10.516 1.00 0.00 O ATOM 211 CG2 THR A 16 9.909 -7.471 11.455 1.00 0.00 C ATOM 0 H THR A 16 8.965 -8.825 7.899 1.00 0.00 H new ATOM 0 HA THR A 16 7.455 -8.127 10.185 1.00 0.00 H new ATOM 0 HB THR A 16 10.387 -7.983 9.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.199 -9.901 10.908 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.871 -7.817 11.832 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.950 -6.395 11.288 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.131 -7.695 12.185 1.00 0.00 H new ATOM 219 N ALA A 17 8.734 -5.593 8.569 1.00 0.00 N ATOM 220 CA ALA A 17 8.651 -4.149 8.427 1.00 0.00 C ATOM 221 C ALA A 17 7.261 -3.771 7.911 1.00 0.00 C ATOM 222 O ALA A 17 6.611 -2.883 8.460 1.00 0.00 O ATOM 223 CB ALA A 17 9.768 -3.662 7.503 1.00 0.00 C ATOM 0 H ALA A 17 9.338 -6.054 7.888 1.00 0.00 H new ATOM 0 HA ALA A 17 8.789 -3.660 9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.706 -2.579 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.735 -3.930 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.660 -4.130 6.524 1.00 0.00 H new ATOM 229 N LEU A 18 6.846 -4.465 6.861 1.00 0.00 N ATOM 230 CA LEU A 18 5.545 -4.213 6.265 1.00 0.00 C ATOM 231 C LEU A 18 4.457 -4.404 7.324 1.00 0.00 C ATOM 232 O LEU A 18 3.489 -3.647 7.367 1.00 0.00 O ATOM 233 CB LEU A 18 5.349 -5.081 5.020 1.00 0.00 C ATOM 234 CG LEU A 18 4.630 -4.416 3.845 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.369 -3.156 3.392 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.426 -5.405 2.695 1.00 0.00 C ATOM 0 H LEU A 18 7.388 -5.201 6.408 1.00 0.00 H new ATOM 0 HA LEU A 18 5.478 -3.181 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.328 -5.417 4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.789 -5.971 5.306 1.00 0.00 H new ATOM 0 HG LEU A 18 3.641 -4.106 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.837 -2.703 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.418 -2.446 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.379 -3.419 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.913 -4.906 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.395 -5.768 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.825 -6.246 3.041 1.00 0.00 H new ATOM 248 N MET A 19 4.655 -5.418 8.153 1.00 0.00 N ATOM 249 CA MET A 19 3.703 -5.718 9.209 1.00 0.00 C ATOM 250 C MET A 19 3.660 -4.591 10.244 1.00 0.00 C ATOM 251 O MET A 19 2.788 -4.573 11.111 1.00 0.00 O ATOM 252 CB MET A 19 4.097 -7.027 9.896 1.00 0.00 C ATOM 253 CG MET A 19 3.656 -8.235 9.067 1.00 0.00 C ATOM 254 SD MET A 19 4.869 -9.538 9.193 1.00 0.00 S ATOM 255 CE MET A 19 4.797 -9.860 10.947 1.00 0.00 C ATOM 0 H MET A 19 5.461 -6.042 8.115 1.00 0.00 H new ATOM 0 HA MET A 19 2.713 -5.815 8.763 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.177 -7.055 10.041 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.642 -7.074 10.885 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.688 -8.593 9.418 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.530 -7.944 8.024 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.726 -9.533 11.415 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.960 -9.315 11.383 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.662 -10.928 11.116 1.00 0.00 H new ATOM 265 N ASP A 20 4.614 -3.680 10.119 1.00 0.00 N ATOM 266 CA ASP A 20 4.696 -2.553 11.032 1.00 0.00 C ATOM 267 C ASP A 20 4.285 -1.275 10.298 1.00 0.00 C ATOM 268 O ASP A 20 4.269 -0.195 10.886 1.00 0.00 O ATOM 269 CB ASP A 20 6.124 -2.364 11.547 1.00 0.00 C ATOM 270 CG ASP A 20 6.347 -2.776 13.003 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.530 -3.993 13.227 1.00 0.00 O ATOM 272 OD2 ASP A 20 6.330 -1.866 13.860 1.00 0.00 O ATOM 0 H ASP A 20 5.337 -3.700 9.399 1.00 0.00 H new ATOM 0 HA ASP A 20 4.032 -2.753 11.873 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.801 -2.939 10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.398 -1.315 11.436 1.00 0.00 H new ATOM 277 N VAL A 21 3.963 -1.441 9.023 1.00 0.00 N ATOM 278 CA VAL A 21 3.553 -0.315 8.202 1.00 0.00 C ATOM 279 C VAL A 21 2.031 -0.172 8.263 1.00 0.00 C ATOM 280 O VAL A 21 1.513 0.936 8.394 1.00 0.00 O ATOM 281 CB VAL A 21 4.081 -0.487 6.777 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.436 0.525 5.827 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.606 -0.378 6.740 1.00 0.00 C ATOM 0 H VAL A 21 3.978 -2.339 8.539 1.00 0.00 H new ATOM 0 HA VAL A 21 3.982 0.612 8.583 1.00 0.00 H new ATOM 0 HB VAL A 21 3.808 -1.486 6.438 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.829 0.381 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.356 0.379 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.663 1.536 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.955 -0.504 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.910 0.602 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.042 -1.154 7.370 1.00 0.00 H new ATOM 293 N LEU A 22 1.358 -1.309 8.165 1.00 0.00 N ATOM 294 CA LEU A 22 -0.095 -1.324 8.208 1.00 0.00 C ATOM 295 C LEU A 22 -0.556 -2.042 9.478 1.00 0.00 C ATOM 296 O LEU A 22 -1.318 -1.486 10.267 1.00 0.00 O ATOM 297 CB LEU A 22 -0.662 -1.926 6.920 1.00 0.00 C ATOM 298 CG LEU A 22 -0.046 -1.420 5.615 1.00 0.00 C ATOM 299 CD1 LEU A 22 -0.390 -2.350 4.449 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.462 0.026 5.337 1.00 0.00 C ATOM 0 H LEU A 22 1.791 -2.226 8.056 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.486 -0.308 8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.536 -3.008 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.734 -1.730 6.892 1.00 0.00 H new ATOM 0 HG LEU A 22 1.039 -1.428 5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.060 -1.967 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.003 -3.348 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.472 -2.398 4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.010 0.361 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.547 0.083 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.125 0.665 6.153 1.00 0.00 H new ATOM 312 N GLY A 23 -0.075 -3.266 9.635 1.00 0.00 N ATOM 313 CA GLY A 23 -0.429 -4.066 10.795 1.00 0.00 C ATOM 314 C GLY A 23 -1.165 -5.341 10.379 1.00 0.00 C ATOM 315 O GLY A 23 -2.049 -5.813 11.093 1.00 0.00 O ATOM 0 H GLY A 23 0.557 -3.724 8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.472 -4.327 11.350 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.058 -3.481 11.466 1.00 0.00 H new ATOM 319 N ILE A 24 -0.775 -5.862 9.226 1.00 0.00 N ATOM 320 CA ILE A 24 -1.387 -7.073 8.706 1.00 0.00 C ATOM 321 C ILE A 24 -0.313 -8.149 8.534 1.00 0.00 C ATOM 322 O ILE A 24 0.873 -7.837 8.436 1.00 0.00 O ATOM 323 CB ILE A 24 -2.166 -6.772 7.424 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.486 -5.664 6.616 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.626 -6.440 7.735 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.203 -5.438 5.284 1.00 0.00 C ATOM 0 H ILE A 24 -0.042 -5.468 8.636 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.119 -7.463 9.413 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.164 -7.669 6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.482 -4.739 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.445 -5.930 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.157 -6.230 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.093 -7.288 8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.670 -5.565 8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.700 -4.646 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.184 -6.358 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.237 -5.149 5.472 1.00 0.00 H new ATOM 338 N GLU A 25 -0.767 -9.393 8.504 1.00 0.00 N ATOM 339 CA GLU A 25 0.141 -10.517 8.346 1.00 0.00 C ATOM 340 C GLU A 25 -0.039 -11.155 6.967 1.00 0.00 C ATOM 341 O GLU A 25 0.901 -11.727 6.416 1.00 0.00 O ATOM 342 CB GLU A 25 -0.065 -11.548 9.457 1.00 0.00 C ATOM 343 CG GLU A 25 1.229 -12.313 9.743 1.00 0.00 C ATOM 344 CD GLU A 25 1.900 -11.799 11.018 1.00 0.00 C ATOM 345 OE1 GLU A 25 1.772 -10.582 11.276 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.527 -12.634 11.706 1.00 0.00 O ATOM 0 H GLU A 25 -1.751 -9.648 8.586 1.00 0.00 H new ATOM 0 HA GLU A 25 1.163 -10.147 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.404 -11.047 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.849 -12.248 9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.012 -13.376 9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.912 -12.207 8.900 1.00 0.00 H new ATOM 353 N VAL A 26 -1.252 -11.035 6.448 1.00 0.00 N ATOM 354 CA VAL A 26 -1.567 -11.592 5.144 1.00 0.00 C ATOM 355 C VAL A 26 -2.802 -10.888 4.577 1.00 0.00 C ATOM 356 O VAL A 26 -3.901 -11.031 5.110 1.00 0.00 O ATOM 357 CB VAL A 26 -1.740 -13.108 5.250 1.00 0.00 C ATOM 358 CG1 VAL A 26 -1.620 -13.573 6.703 1.00 0.00 C ATOM 359 CG2 VAL A 26 -3.071 -13.553 4.640 1.00 0.00 C ATOM 0 H VAL A 26 -2.029 -10.560 6.908 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.746 -11.420 4.448 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.938 -13.577 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.747 -14.655 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.637 -13.306 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.391 -13.091 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.168 -14.635 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.893 -13.070 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.101 -13.271 3.587 1.00 0.00 H new ATOM 369 N GLU A 27 -2.578 -10.142 3.505 1.00 0.00 N ATOM 370 CA GLU A 27 -3.659 -9.415 2.861 1.00 0.00 C ATOM 371 C GLU A 27 -3.551 -9.541 1.340 1.00 0.00 C ATOM 372 O GLU A 27 -2.527 -9.984 0.822 1.00 0.00 O ATOM 373 CB GLU A 27 -3.665 -7.947 3.291 1.00 0.00 C ATOM 374 CG GLU A 27 -5.087 -7.471 3.597 1.00 0.00 C ATOM 375 CD GLU A 27 -5.766 -8.392 4.613 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.247 -8.467 5.747 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.789 -9.000 4.231 1.00 0.00 O ATOM 0 H GLU A 27 -1.664 -10.025 3.066 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.605 -9.855 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.037 -7.820 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.234 -7.331 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.058 -6.453 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.671 -7.444 2.677 1.00 0.00 H new ATOM 384 N THR A 28 -4.620 -9.143 0.667 1.00 0.00 N ATOM 385 CA THR A 28 -4.658 -9.205 -0.784 1.00 0.00 C ATOM 386 C THR A 28 -3.579 -8.302 -1.385 1.00 0.00 C ATOM 387 O THR A 28 -2.682 -7.846 -0.678 1.00 0.00 O ATOM 388 CB THR A 28 -6.074 -8.844 -1.236 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.264 -7.515 -0.756 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.147 -9.658 -0.510 1.00 0.00 C ATOM 0 H THR A 28 -5.467 -8.776 1.100 1.00 0.00 H new ATOM 0 HA THR A 28 -4.433 -10.209 -1.143 1.00 0.00 H new ATOM 0 HB THR A 28 -6.163 -9.003 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.041 -7.115 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.133 -9.362 -0.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.993 -10.719 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.080 -9.473 0.562 1.00 0.00 H new ATOM 398 N ARG A 29 -3.703 -8.070 -2.684 1.00 0.00 N ATOM 399 CA ARG A 29 -2.749 -7.229 -3.388 1.00 0.00 C ATOM 400 C ARG A 29 -3.127 -5.755 -3.234 1.00 0.00 C ATOM 401 O ARG A 29 -2.266 -4.913 -2.984 1.00 0.00 O ATOM 402 CB ARG A 29 -2.697 -7.583 -4.875 1.00 0.00 C ATOM 403 CG ARG A 29 -1.346 -7.200 -5.483 1.00 0.00 C ATOM 404 CD ARG A 29 -1.353 -7.392 -7.000 1.00 0.00 C ATOM 405 NE ARG A 29 -1.146 -6.092 -7.676 1.00 0.00 N ATOM 406 CZ ARG A 29 -2.134 -5.242 -7.988 1.00 0.00 C ATOM 407 NH1 ARG A 29 -3.403 -5.550 -7.687 1.00 0.00 N ATOM 408 NH2 ARG A 29 -1.853 -4.084 -8.601 1.00 0.00 N ATOM 0 H ARG A 29 -4.449 -8.449 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.766 -7.403 -2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.868 -8.652 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.498 -7.066 -5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.118 -6.161 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.558 -7.809 -5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.568 -8.091 -7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.301 -7.828 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.192 -5.826 -7.920 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.617 -6.431 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.155 -4.903 -7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.887 -3.850 -8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.605 -3.437 -8.838 1.00 0.00 H new ATOM 422 N PRO A 30 -4.450 -5.480 -3.393 1.00 0.00 N ATOM 423 CA PRO A 30 -4.952 -4.122 -3.274 1.00 0.00 C ATOM 424 C PRO A 30 -5.001 -3.682 -1.810 1.00 0.00 C ATOM 425 O PRO A 30 -4.413 -2.666 -1.443 1.00 0.00 O ATOM 426 CB PRO A 30 -6.321 -4.150 -3.933 1.00 0.00 C ATOM 427 CG PRO A 30 -6.731 -5.613 -3.980 1.00 0.00 C ATOM 428 CD PRO A 30 -5.498 -6.452 -3.689 1.00 0.00 C ATOM 0 HA PRO A 30 -4.306 -3.390 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.040 -3.561 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.281 -3.723 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.512 -5.814 -3.246 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.141 -5.863 -4.958 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.665 -7.123 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.231 -7.074 -4.544 1.00 0.00 H new ATOM 436 N ARG A 31 -5.710 -4.468 -1.013 1.00 0.00 N ATOM 437 CA ARG A 31 -5.844 -4.172 0.404 1.00 0.00 C ATOM 438 C ARG A 31 -4.541 -3.586 0.950 1.00 0.00 C ATOM 439 O ARG A 31 -4.559 -2.604 1.689 1.00 0.00 O ATOM 440 CB ARG A 31 -6.202 -5.430 1.198 1.00 0.00 C ATOM 441 CG ARG A 31 -7.618 -5.905 0.865 1.00 0.00 C ATOM 442 CD ARG A 31 -8.626 -5.384 1.892 1.00 0.00 C ATOM 443 NE ARG A 31 -8.969 -3.976 1.595 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.894 -3.600 0.702 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.574 -4.526 0.011 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.139 -2.298 0.498 1.00 0.00 N ATOM 0 H ARG A 31 -6.198 -5.309 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.648 -3.444 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.487 -6.222 0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.125 -5.224 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.897 -5.560 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.645 -6.994 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.526 -5.998 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.208 -5.461 2.896 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.470 -3.245 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.387 -5.517 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.278 -4.240 -0.669 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.621 -1.593 1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.843 -2.012 -0.182 1.00 0.00 H new ATOM 460 N ILE A 32 -3.440 -4.215 0.564 1.00 0.00 N ATOM 461 CA ILE A 32 -2.129 -3.768 1.005 1.00 0.00 C ATOM 462 C ILE A 32 -1.815 -2.414 0.367 1.00 0.00 C ATOM 463 O ILE A 32 -1.672 -1.412 1.066 1.00 0.00 O ATOM 464 CB ILE A 32 -1.075 -4.840 0.724 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.503 -6.194 1.295 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.298 -4.408 1.242 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.508 -7.290 0.911 1.00 0.00 C ATOM 0 H ILE A 32 -3.429 -5.030 -0.049 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.120 -3.621 2.085 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.989 -4.959 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.576 -6.128 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.495 -6.452 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.029 -5.188 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.599 -3.484 0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.246 -4.243 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.836 -8.242 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.456 -7.370 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.478 -7.041 1.304 1.00 0.00 H new ATOM 479 N ILE A 33 -1.717 -2.427 -0.954 1.00 0.00 N ATOM 480 CA ILE A 33 -1.422 -1.212 -1.695 1.00 0.00 C ATOM 481 C ILE A 33 -2.282 -0.068 -1.154 1.00 0.00 C ATOM 482 O ILE A 33 -1.779 1.026 -0.903 1.00 0.00 O ATOM 483 CB ILE A 33 -1.587 -1.448 -3.198 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.569 -2.470 -3.708 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.512 -0.129 -3.971 1.00 0.00 C ATOM 486 CD1 ILE A 33 -0.981 -3.019 -5.075 1.00 0.00 C ATOM 0 H ILE A 33 -1.837 -3.260 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.381 -0.923 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.578 -1.867 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.414 -2.005 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.482 -3.289 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.632 -0.324 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.306 0.537 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.545 0.341 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.240 -3.743 -5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.953 -3.505 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.043 -2.200 -5.792 1.00 0.00 H new ATOM 498 N ALA A 34 -3.564 -0.361 -0.990 1.00 0.00 N ATOM 499 CA ALA A 34 -4.498 0.629 -0.483 1.00 0.00 C ATOM 500 C ALA A 34 -4.126 0.985 0.958 1.00 0.00 C ATOM 501 O ALA A 34 -4.024 2.160 1.305 1.00 0.00 O ATOM 502 CB ALA A 34 -5.926 0.092 -0.601 1.00 0.00 C ATOM 0 H ALA A 34 -3.977 -1.270 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.444 1.544 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.627 0.835 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.151 -0.117 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.019 -0.825 -0.020 1.00 0.00 H new ATOM 508 N ALA A 35 -3.934 -0.053 1.759 1.00 0.00 N ATOM 509 CA ALA A 35 -3.575 0.135 3.154 1.00 0.00 C ATOM 510 C ALA A 35 -2.459 1.176 3.254 1.00 0.00 C ATOM 511 O ALA A 35 -2.445 1.990 4.177 1.00 0.00 O ATOM 512 CB ALA A 35 -3.174 -1.210 3.764 1.00 0.00 C ATOM 0 H ALA A 35 -4.020 -1.027 1.468 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.427 0.510 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.905 -1.069 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.011 -1.905 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.320 -1.616 3.221 1.00 0.00 H new ATOM 518 N ILE A 36 -1.551 1.118 2.291 1.00 0.00 N ATOM 519 CA ILE A 36 -0.434 2.046 2.259 1.00 0.00 C ATOM 520 C ILE A 36 -0.910 3.392 1.709 1.00 0.00 C ATOM 521 O ILE A 36 -0.407 4.442 2.106 1.00 0.00 O ATOM 522 CB ILE A 36 0.740 1.445 1.482 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.275 0.193 2.180 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.837 2.487 1.254 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.058 -0.687 1.203 1.00 0.00 C ATOM 0 H ILE A 36 -1.566 0.442 1.527 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.060 2.227 3.267 1.00 0.00 H new ATOM 0 HB ILE A 36 0.379 1.137 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.919 0.482 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.446 -0.375 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.659 2.034 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.432 3.323 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.202 2.847 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.427 -1.570 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.405 -0.994 0.386 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.901 -0.124 0.801 1.00 0.00 H new ATOM 537 N TRP A 37 -1.874 3.317 0.803 1.00 0.00 N ATOM 538 CA TRP A 37 -2.424 4.516 0.195 1.00 0.00 C ATOM 539 C TRP A 37 -3.059 5.360 1.302 1.00 0.00 C ATOM 540 O TRP A 37 -2.817 6.563 1.387 1.00 0.00 O ATOM 541 CB TRP A 37 -3.406 4.163 -0.924 1.00 0.00 C ATOM 542 CG TRP A 37 -2.736 3.661 -2.205 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.525 3.102 -2.338 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.291 3.694 -3.536 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.260 2.775 -3.652 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.369 3.146 -4.404 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.532 4.172 -3.992 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.590 3.024 -5.781 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.738 4.043 -5.371 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.819 3.493 -6.258 1.00 0.00 C ATOM 0 H TRP A 37 -2.288 2.444 0.476 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.637 5.101 -0.281 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.094 3.398 -0.562 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.004 5.043 -1.160 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.842 2.929 -1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.408 2.341 -4.006 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.268 4.605 -3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.852 2.591 -6.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.676 4.395 -5.774 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.053 3.428 -7.310 1.00 0.00 H new ATOM 561 N HIS A 38 -3.859 4.696 2.123 1.00 0.00 N ATOM 562 CA HIS A 38 -4.530 5.370 3.222 1.00 0.00 C ATOM 563 C HIS A 38 -3.504 5.768 4.284 1.00 0.00 C ATOM 564 O HIS A 38 -3.521 6.895 4.777 1.00 0.00 O ATOM 565 CB HIS A 38 -5.658 4.502 3.783 1.00 0.00 C ATOM 566 CG HIS A 38 -6.223 5.000 5.092 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.554 5.343 5.253 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.623 5.208 6.300 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.736 5.739 6.504 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.538 5.656 7.151 1.00 0.00 N ATOM 0 H HIS A 38 -4.058 3.698 2.049 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.999 6.285 2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.462 4.449 3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.287 3.487 3.922 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.581 5.037 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.669 6.070 6.936 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.373 5.898 8.128 1.00 0.00 H new ATOM 578 N TYR A 39 -2.634 4.821 4.604 1.00 0.00 N ATOM 579 CA TYR A 39 -1.601 5.059 5.598 1.00 0.00 C ATOM 580 C TYR A 39 -0.813 6.330 5.277 1.00 0.00 C ATOM 581 O TYR A 39 -0.719 7.234 6.106 1.00 0.00 O ATOM 582 CB TYR A 39 -0.659 3.856 5.524 1.00 0.00 C ATOM 583 CG TYR A 39 0.541 3.946 6.469 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.341 4.093 7.826 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.824 3.881 5.963 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.471 4.178 8.715 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.953 3.966 6.852 1.00 0.00 C ATOM 588 CZ TYR A 39 2.721 4.110 8.185 1.00 0.00 C ATOM 589 OH TYR A 39 3.788 4.190 9.024 1.00 0.00 O ATOM 0 H TYR A 39 -2.623 3.888 4.193 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.042 5.184 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.222 2.952 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.296 3.754 4.501 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.663 4.144 8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.980 3.766 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.328 4.293 9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.962 3.917 6.469 1.00 0.00 H new ATOM 0 HH TYR A 39 4.617 4.126 8.506 1.00 0.00 H new ATOM 599 N VAL A 40 -0.265 6.359 4.070 1.00 0.00 N ATOM 600 CA VAL A 40 0.512 7.505 3.629 1.00 0.00 C ATOM 601 C VAL A 40 -0.166 8.791 4.106 1.00 0.00 C ATOM 602 O VAL A 40 0.433 9.579 4.836 1.00 0.00 O ATOM 603 CB VAL A 40 0.701 7.456 2.111 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.147 8.816 1.570 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.690 6.357 1.717 1.00 0.00 C ATOM 0 H VAL A 40 -0.344 5.608 3.385 1.00 0.00 H new ATOM 0 HA VAL A 40 1.509 7.482 4.069 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.262 7.216 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.274 8.754 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.392 9.566 1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.094 9.098 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.806 6.344 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.656 6.552 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.314 5.391 2.053 1.00 0.00 H new ATOM 615 N LYS A 41 -1.406 8.963 3.674 1.00 0.00 N ATOM 616 CA LYS A 41 -2.172 10.140 4.048 1.00 0.00 C ATOM 617 C LYS A 41 -2.312 10.189 5.570 1.00 0.00 C ATOM 618 O LYS A 41 -2.282 11.266 6.165 1.00 0.00 O ATOM 619 CB LYS A 41 -3.511 10.165 3.306 1.00 0.00 C ATOM 620 CG LYS A 41 -3.309 10.475 1.821 1.00 0.00 C ATOM 621 CD LYS A 41 -4.629 10.369 1.055 1.00 0.00 C ATOM 622 CE LYS A 41 -4.641 9.133 0.153 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.022 8.817 -0.275 1.00 0.00 N ATOM 0 H LYS A 41 -1.900 8.307 3.069 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.649 11.047 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.010 9.202 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.164 10.915 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.898 11.478 1.708 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.582 9.783 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.459 10.318 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.777 11.265 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.014 9.308 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.216 8.283 0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.012 7.976 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.611 8.630 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.415 9.623 -0.802 1.00 0.00 H new ATOM 637 N ALA A 42 -2.461 9.011 6.158 1.00 0.00 N ATOM 638 CA ALA A 42 -2.606 8.907 7.600 1.00 0.00 C ATOM 639 C ALA A 42 -1.526 9.752 8.278 1.00 0.00 C ATOM 640 O ALA A 42 -1.835 10.711 8.983 1.00 0.00 O ATOM 641 CB ALA A 42 -2.541 7.436 8.015 1.00 0.00 C ATOM 0 H ALA A 42 -2.484 8.120 5.662 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.575 9.293 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.650 7.358 9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.346 6.885 7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.581 7.016 7.716 1.00 0.00 H new ATOM 647 N ARG A 43 -0.281 9.364 8.042 1.00 0.00 N ATOM 648 CA ARG A 43 0.847 10.074 8.622 1.00 0.00 C ATOM 649 C ARG A 43 1.250 11.250 7.729 1.00 0.00 C ATOM 650 O ARG A 43 2.425 11.605 7.657 1.00 0.00 O ATOM 651 CB ARG A 43 2.048 9.145 8.803 1.00 0.00 C ATOM 652 CG ARG A 43 1.886 8.275 10.051 1.00 0.00 C ATOM 653 CD ARG A 43 0.712 7.305 9.894 1.00 0.00 C ATOM 654 NE ARG A 43 0.606 6.442 11.091 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.274 5.439 11.219 1.00 0.00 C ATOM 656 NH1 ARG A 43 -1.129 5.168 10.224 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.299 4.708 12.342 1.00 0.00 N ATOM 0 H ARG A 43 -0.029 8.567 7.457 1.00 0.00 H new ATOM 0 HA ARG A 43 0.539 10.445 9.600 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.156 8.510 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.960 9.736 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.804 7.715 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.724 8.909 10.923 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.214 7.862 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.853 6.691 9.004 1.00 0.00 H new ATOM 0 HE ARG A 43 1.242 6.621 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.110 5.725 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.799 4.405 10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.352 4.915 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.969 3.945 12.439 1.00 0.00 H new ATOM 671 N LYS A 44 0.252 11.821 7.071 1.00 0.00 N ATOM 672 CA LYS A 44 0.488 12.949 6.186 1.00 0.00 C ATOM 673 C LYS A 44 1.802 12.735 5.433 1.00 0.00 C ATOM 674 O LYS A 44 2.577 13.673 5.250 1.00 0.00 O ATOM 675 CB LYS A 44 0.433 14.263 6.967 1.00 0.00 C ATOM 676 CG LYS A 44 -0.901 14.978 6.746 1.00 0.00 C ATOM 677 CD LYS A 44 -0.910 16.347 7.427 1.00 0.00 C ATOM 678 CE LYS A 44 -0.122 17.372 6.609 1.00 0.00 C ATOM 679 NZ LYS A 44 1.173 17.672 7.261 1.00 0.00 N ATOM 0 H LYS A 44 -0.722 11.524 7.133 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.301 13.017 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.571 14.064 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.252 14.910 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.080 15.098 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.714 14.367 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.938 16.688 7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.479 16.264 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.051 16.988 5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.704 18.288 6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.837 18.051 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.028 18.375 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.565 16.801 7.672 1.00 0.00 H new ATOM 693 N LEU A 45 2.014 11.495 5.017 1.00 0.00 N ATOM 694 CA LEU A 45 3.221 11.145 4.288 1.00 0.00 C ATOM 695 C LEU A 45 3.100 11.635 2.844 1.00 0.00 C ATOM 696 O LEU A 45 4.104 11.940 2.202 1.00 0.00 O ATOM 697 CB LEU A 45 3.505 9.647 4.408 1.00 0.00 C ATOM 698 CG LEU A 45 4.149 9.188 5.717 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.318 7.667 5.742 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.472 9.916 5.962 1.00 0.00 C ATOM 0 H LEU A 45 1.369 10.720 5.171 1.00 0.00 H new ATOM 0 HA LEU A 45 4.087 11.645 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.566 9.108 4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.156 9.354 3.584 1.00 0.00 H new ATOM 0 HG LEU A 45 3.480 9.451 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.778 7.367 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.342 7.191 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.954 7.358 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.909 9.571 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.160 9.707 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.291 10.989 6.019 1.00 0.00 H new ATOM 712 N GLN A 46 1.862 11.696 2.376 1.00 0.00 N ATOM 713 CA GLN A 46 1.597 12.144 1.019 1.00 0.00 C ATOM 714 C GLN A 46 2.474 13.349 0.677 1.00 0.00 C ATOM 715 O GLN A 46 2.797 14.154 1.549 1.00 0.00 O ATOM 716 CB GLN A 46 0.115 12.474 0.831 1.00 0.00 C ATOM 717 CG GLN A 46 -0.134 13.119 -0.534 1.00 0.00 C ATOM 718 CD GLN A 46 -1.573 13.628 -0.645 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.235 13.915 0.338 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.018 13.723 -1.895 1.00 0.00 N ATOM 0 H GLN A 46 1.032 11.443 2.912 1.00 0.00 H new ATOM 0 HA GLN A 46 1.845 11.333 0.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.478 11.564 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.214 13.148 1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.561 13.946 -0.682 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.061 12.394 -1.324 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.411 13.466 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.966 14.053 -2.075 1.00 0.00 H new ATOM 729 N ASN A 47 2.836 13.436 -0.595 1.00 0.00 N ATOM 730 CA ASN A 47 3.670 14.529 -1.064 1.00 0.00 C ATOM 731 C ASN A 47 2.785 15.603 -1.701 1.00 0.00 C ATOM 732 O ASN A 47 1.925 15.295 -2.524 1.00 0.00 O ATOM 733 CB ASN A 47 4.666 14.048 -2.121 1.00 0.00 C ATOM 734 CG ASN A 47 5.989 14.810 -2.015 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.216 15.806 -2.682 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.845 14.288 -1.141 1.00 0.00 N ATOM 0 H ASN A 47 2.566 12.766 -1.316 1.00 0.00 H new ATOM 0 HA ASN A 47 4.217 14.927 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.846 12.980 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.241 14.186 -3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.756 14.724 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.591 13.452 -0.615 1.00 0.00 H new ATOM 743 N PRO A 48 3.034 16.874 -1.286 1.00 0.00 N ATOM 744 CA PRO A 48 2.271 17.994 -1.808 1.00 0.00 C ATOM 745 C PRO A 48 2.706 18.338 -3.234 1.00 0.00 C ATOM 746 O PRO A 48 1.882 18.724 -4.062 1.00 0.00 O ATOM 747 CB PRO A 48 2.513 19.127 -0.823 1.00 0.00 C ATOM 748 CG PRO A 48 3.764 18.746 -0.048 1.00 0.00 C ATOM 749 CD PRO A 48 4.046 17.276 -0.313 1.00 0.00 C ATOM 0 HA PRO A 48 1.206 17.776 -1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.650 20.075 -1.344 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.662 19.251 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.609 19.359 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.621 18.921 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.052 17.130 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.972 16.687 0.601 1.00 0.00 H new ATOM 757 N ASN A 49 3.999 18.185 -3.477 1.00 0.00 N ATOM 758 CA ASN A 49 4.553 18.475 -4.788 1.00 0.00 C ATOM 759 C ASN A 49 3.931 17.531 -5.820 1.00 0.00 C ATOM 760 O ASN A 49 3.315 17.979 -6.785 1.00 0.00 O ATOM 761 CB ASN A 49 6.068 18.262 -4.806 1.00 0.00 C ATOM 762 CG ASN A 49 6.767 19.216 -3.835 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.391 19.357 -2.683 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.803 19.862 -4.363 1.00 0.00 N ATOM 0 H ASN A 49 4.679 17.864 -2.788 1.00 0.00 H new ATOM 0 HA ASN A 49 4.332 19.516 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.297 17.231 -4.537 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.449 18.420 -5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.335 20.522 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.065 19.698 -5.335 1.00 0.00 H new ATOM 771 N ASP A 50 4.115 16.241 -5.580 1.00 0.00 N ATOM 772 CA ASP A 50 3.580 15.230 -6.476 1.00 0.00 C ATOM 773 C ASP A 50 2.508 14.421 -5.743 1.00 0.00 C ATOM 774 O ASP A 50 2.792 13.781 -4.731 1.00 0.00 O ATOM 775 CB ASP A 50 4.674 14.262 -6.931 1.00 0.00 C ATOM 776 CG ASP A 50 5.422 14.681 -8.198 1.00 0.00 C ATOM 777 OD1 ASP A 50 6.116 15.719 -8.130 1.00 0.00 O ATOM 778 OD2 ASP A 50 5.283 13.955 -9.206 1.00 0.00 O ATOM 0 H ASP A 50 4.627 15.873 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 50 3.163 15.737 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.396 14.147 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.225 13.283 -7.099 1.00 0.00 H new ATOM 783 N PRO A 51 1.267 14.476 -6.296 1.00 0.00 N ATOM 784 CA PRO A 51 0.151 13.756 -5.706 1.00 0.00 C ATOM 785 C PRO A 51 0.251 12.257 -5.996 1.00 0.00 C ATOM 786 O PRO A 51 -0.413 11.450 -5.347 1.00 0.00 O ATOM 787 CB PRO A 51 -1.091 14.395 -6.305 1.00 0.00 C ATOM 788 CG PRO A 51 -0.622 15.129 -7.551 1.00 0.00 C ATOM 789 CD PRO A 51 0.894 15.223 -7.494 1.00 0.00 C ATOM 0 HA PRO A 51 0.133 13.826 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.837 13.640 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.556 15.082 -5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.938 14.598 -8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.065 16.124 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.351 14.795 -8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.224 16.260 -7.433 1.00 0.00 H new ATOM 797 N SER A 52 1.087 11.929 -6.970 1.00 0.00 N ATOM 798 CA SER A 52 1.282 10.542 -7.354 1.00 0.00 C ATOM 799 C SER A 52 2.363 9.904 -6.478 1.00 0.00 C ATOM 800 O SER A 52 2.481 8.681 -6.424 1.00 0.00 O ATOM 801 CB SER A 52 1.661 10.427 -8.832 1.00 0.00 C ATOM 802 OG SER A 52 1.830 9.071 -9.236 1.00 0.00 O ATOM 0 H SER A 52 1.637 12.601 -7.505 1.00 0.00 H new ATOM 0 HA SER A 52 0.342 10.011 -7.206 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.887 10.893 -9.442 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.584 10.977 -9.013 1.00 0.00 H new ATOM 0 HG SER A 52 2.070 9.040 -10.186 1.00 0.00 H new ATOM 808 N PHE A 53 3.124 10.762 -5.814 1.00 0.00 N ATOM 809 CA PHE A 53 4.191 10.297 -4.944 1.00 0.00 C ATOM 810 C PHE A 53 3.844 10.543 -3.474 1.00 0.00 C ATOM 811 O PHE A 53 2.780 11.075 -3.163 1.00 0.00 O ATOM 812 CB PHE A 53 5.442 11.101 -5.302 1.00 0.00 C ATOM 813 CG PHE A 53 6.441 10.341 -6.176 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.265 9.413 -5.619 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.505 10.592 -7.511 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.192 8.708 -6.430 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.432 9.886 -8.323 1.00 0.00 C ATOM 818 CZ PHE A 53 8.256 8.959 -7.765 1.00 0.00 C ATOM 0 H PHE A 53 3.023 11.776 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 53 4.343 9.226 -5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.140 12.011 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.940 11.408 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.214 9.213 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.851 11.328 -7.954 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.847 7.972 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.483 10.085 -9.383 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.961 8.422 -8.382 1.00 0.00 H new ATOM 828 N PHE A 54 4.764 10.144 -2.608 1.00 0.00 N ATOM 829 CA PHE A 54 4.570 10.314 -1.178 1.00 0.00 C ATOM 830 C PHE A 54 5.868 10.046 -0.412 1.00 0.00 C ATOM 831 O PHE A 54 6.749 9.343 -0.904 1.00 0.00 O ATOM 832 CB PHE A 54 3.517 9.292 -0.745 1.00 0.00 C ATOM 833 CG PHE A 54 3.902 7.840 -1.036 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.854 7.225 -0.283 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.294 7.164 -2.047 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.212 5.878 -0.553 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.652 5.817 -2.317 1.00 0.00 C ATOM 838 CZ PHE A 54 4.603 5.202 -1.564 1.00 0.00 C ATOM 0 H PHE A 54 5.646 9.703 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 54 4.258 11.336 -0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.337 9.402 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.578 9.517 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.337 7.762 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.538 7.652 -2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.968 5.390 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.169 5.281 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.875 4.177 -1.769 1.00 0.00 H new ATOM 848 N ASN A 55 5.944 10.623 0.778 1.00 0.00 N ATOM 849 CA ASN A 55 7.119 10.456 1.616 1.00 0.00 C ATOM 850 C ASN A 55 7.089 9.067 2.258 1.00 0.00 C ATOM 851 O ASN A 55 6.048 8.623 2.738 1.00 0.00 O ATOM 852 CB ASN A 55 7.147 11.495 2.739 1.00 0.00 C ATOM 853 CG ASN A 55 7.792 12.798 2.264 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.965 13.056 2.483 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.964 13.602 1.603 1.00 0.00 N ATOM 0 H ASN A 55 5.211 11.207 1.182 1.00 0.00 H new ATOM 0 HA ASN A 55 8.001 10.580 0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.131 11.692 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.701 11.100 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.299 14.496 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.994 13.325 1.455 1.00 0.00 H new ATOM 862 N CYS A 56 8.245 8.419 2.245 1.00 0.00 N ATOM 863 CA CYS A 56 8.365 7.090 2.820 1.00 0.00 C ATOM 864 C CYS A 56 9.034 7.218 4.190 1.00 0.00 C ATOM 865 O CYS A 56 10.240 7.444 4.277 1.00 0.00 O ATOM 866 CB CYS A 56 9.132 6.142 1.896 1.00 0.00 C ATOM 867 SG CYS A 56 8.461 6.245 0.197 1.00 0.00 S ATOM 0 H CYS A 56 9.107 8.790 1.845 1.00 0.00 H new ATOM 0 HA CYS A 56 7.374 6.652 2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.191 6.401 1.894 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.054 5.119 2.265 1.00 0.00 H new ATOM 0 HG CYS A 56 7.181 6.469 0.249 1.00 0.00 H new ATOM 873 N ASP A 57 8.222 7.066 5.226 1.00 0.00 N ATOM 874 CA ASP A 57 8.721 7.162 6.588 1.00 0.00 C ATOM 875 C ASP A 57 9.838 6.136 6.790 1.00 0.00 C ATOM 876 O ASP A 57 10.283 5.502 5.835 1.00 0.00 O ATOM 877 CB ASP A 57 7.615 6.862 7.601 1.00 0.00 C ATOM 878 CG ASP A 57 6.981 8.094 8.250 1.00 0.00 C ATOM 879 OD1 ASP A 57 7.519 9.198 8.019 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.971 7.904 8.963 1.00 0.00 O ATOM 0 H ASP A 57 7.223 6.877 5.150 1.00 0.00 H new ATOM 0 HA ASP A 57 9.087 8.177 6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.833 6.289 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.025 6.227 8.386 1.00 0.00 H new ATOM 885 N ALA A 58 10.259 6.006 8.039 1.00 0.00 N ATOM 886 CA ALA A 58 11.316 5.069 8.379 1.00 0.00 C ATOM 887 C ALA A 58 10.863 3.649 8.033 1.00 0.00 C ATOM 888 O ALA A 58 11.666 2.829 7.590 1.00 0.00 O ATOM 889 CB ALA A 58 11.678 5.221 9.858 1.00 0.00 C ATOM 0 H ALA A 58 9.887 6.534 8.828 1.00 0.00 H new ATOM 0 HA ALA A 58 12.215 5.279 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.471 4.518 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.021 6.238 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.800 5.015 10.470 1.00 0.00 H new ATOM 895 N ALA A 59 9.580 3.403 8.249 1.00 0.00 N ATOM 896 CA ALA A 59 9.011 2.096 7.965 1.00 0.00 C ATOM 897 C ALA A 59 8.971 1.880 6.451 1.00 0.00 C ATOM 898 O ALA A 59 9.698 1.041 5.921 1.00 0.00 O ATOM 899 CB ALA A 59 7.625 1.993 8.605 1.00 0.00 C ATOM 0 H ALA A 59 8.918 4.086 8.617 1.00 0.00 H new ATOM 0 HA ALA A 59 9.628 1.307 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.198 1.013 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.712 2.125 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.977 2.768 8.196 1.00 0.00 H new ATOM 905 N LEU A 60 8.114 2.651 5.797 1.00 0.00 N ATOM 906 CA LEU A 60 7.971 2.554 4.355 1.00 0.00 C ATOM 907 C LEU A 60 9.351 2.375 3.720 1.00 0.00 C ATOM 908 O LEU A 60 9.491 1.675 2.718 1.00 0.00 O ATOM 909 CB LEU A 60 7.195 3.755 3.812 1.00 0.00 C ATOM 910 CG LEU A 60 5.697 3.783 4.123 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.086 5.138 3.759 1.00 0.00 C ATOM 912 CD2 LEU A 60 4.972 2.625 3.435 1.00 0.00 C ATOM 0 H LEU A 60 7.512 3.345 6.240 1.00 0.00 H new ATOM 0 HA LEU A 60 7.382 1.676 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.646 4.664 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.322 3.785 2.730 1.00 0.00 H new ATOM 0 HG LEU A 60 5.569 3.650 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.021 5.131 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.576 5.924 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.225 5.326 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.909 2.669 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.106 2.702 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.384 1.678 3.785 1.00 0.00 H new ATOM 924 N GLN A 61 10.335 3.020 4.329 1.00 0.00 N ATOM 925 CA GLN A 61 11.700 2.941 3.835 1.00 0.00 C ATOM 926 C GLN A 61 12.196 1.494 3.877 1.00 0.00 C ATOM 927 O GLN A 61 12.400 0.874 2.834 1.00 0.00 O ATOM 928 CB GLN A 61 12.625 3.861 4.633 1.00 0.00 C ATOM 929 CG GLN A 61 12.990 5.108 3.824 1.00 0.00 C ATOM 930 CD GLN A 61 14.490 5.151 3.530 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.295 4.502 4.177 1.00 0.00 O ATOM 932 NE2 GLN A 61 14.821 5.950 2.519 1.00 0.00 N ATOM 0 H GLN A 61 10.215 3.600 5.160 1.00 0.00 H new ATOM 0 HA GLN A 61 11.712 3.279 2.799 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.137 4.156 5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.532 3.322 4.906 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.432 5.115 2.888 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.698 6.002 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.097 6.466 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.799 6.047 2.244 1.00 0.00 H new ATOM 941 N LYS A 62 12.377 0.999 5.092 1.00 0.00 N ATOM 942 CA LYS A 62 12.845 -0.363 5.283 1.00 0.00 C ATOM 943 C LYS A 62 12.163 -1.280 4.266 1.00 0.00 C ATOM 944 O LYS A 62 12.740 -2.281 3.843 1.00 0.00 O ATOM 945 CB LYS A 62 12.645 -0.800 6.736 1.00 0.00 C ATOM 946 CG LYS A 62 13.990 -1.035 7.428 1.00 0.00 C ATOM 947 CD LYS A 62 14.425 -2.496 7.297 1.00 0.00 C ATOM 948 CE LYS A 62 13.541 -3.410 8.148 1.00 0.00 C ATOM 949 NZ LYS A 62 14.360 -4.162 9.124 1.00 0.00 N ATOM 0 H LYS A 62 12.208 1.517 5.954 1.00 0.00 H new ATOM 0 HA LYS A 62 13.918 -0.426 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.083 -0.037 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.052 -1.714 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.747 -0.385 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.913 -0.768 8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.372 -2.803 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.465 -2.599 7.607 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.793 -2.816 8.673 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.002 -4.105 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.744 -4.777 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.057 -4.744 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.855 -3.494 9.749 1.00 0.00 H new ATOM 963 N VAL A 63 10.945 -0.906 3.903 1.00 0.00 N ATOM 964 CA VAL A 63 10.179 -1.682 2.944 1.00 0.00 C ATOM 965 C VAL A 63 10.691 -1.389 1.532 1.00 0.00 C ATOM 966 O VAL A 63 11.273 -2.259 0.886 1.00 0.00 O ATOM 967 CB VAL A 63 8.685 -1.392 3.110 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.866 -2.101 2.030 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.204 -1.783 4.509 1.00 0.00 C ATOM 0 H VAL A 63 10.470 -0.075 4.256 1.00 0.00 H new ATOM 0 HA VAL A 63 10.312 -2.749 3.123 1.00 0.00 H new ATOM 0 HB VAL A 63 8.536 -0.319 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.808 -1.879 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.182 -1.753 1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.023 -3.177 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.140 -1.567 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.373 -2.848 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.756 -1.213 5.256 1.00 0.00 H new ATOM 979 N PHE A 64 10.455 -0.161 1.094 1.00 0.00 N ATOM 980 CA PHE A 64 10.885 0.257 -0.229 1.00 0.00 C ATOM 981 C PHE A 64 12.389 0.542 -0.253 1.00 0.00 C ATOM 982 O PHE A 64 13.150 -0.177 -0.898 1.00 0.00 O ATOM 983 CB PHE A 64 10.129 1.546 -0.559 1.00 0.00 C ATOM 984 CG PHE A 64 8.610 1.376 -0.626 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.052 0.642 -1.626 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.818 1.959 0.313 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.642 0.484 -1.689 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.409 1.802 0.250 1.00 0.00 C ATOM 989 CZ PHE A 64 5.850 1.068 -0.749 1.00 0.00 C ATOM 0 H PHE A 64 9.971 0.558 1.632 1.00 0.00 H new ATOM 0 HA PHE A 64 10.680 -0.532 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.367 2.298 0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.484 1.929 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.681 0.179 -2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.261 2.542 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.199 -0.099 -2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.780 2.266 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.778 0.949 -0.796 1.00 0.00 H new ATOM 999 N GLY A 65 12.771 1.592 0.459 1.00 0.00 N ATOM 1000 CA GLY A 65 14.169 1.981 0.528 1.00 0.00 C ATOM 1001 C GLY A 65 14.390 3.350 -0.117 1.00 0.00 C ATOM 1002 O GLY A 65 15.510 3.858 -0.137 1.00 0.00 O ATOM 0 H GLY A 65 12.136 2.185 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.491 2.009 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.783 1.234 0.024 1.00 0.00 H new ATOM 1006 N GLU A 66 13.304 3.910 -0.629 1.00 0.00 N ATOM 1007 CA GLU A 66 13.365 5.211 -1.273 1.00 0.00 C ATOM 1008 C GLU A 66 12.637 6.257 -0.427 1.00 0.00 C ATOM 1009 O GLU A 66 11.559 5.991 0.104 1.00 0.00 O ATOM 1010 CB GLU A 66 12.785 5.150 -2.688 1.00 0.00 C ATOM 1011 CG GLU A 66 13.632 4.250 -3.589 1.00 0.00 C ATOM 1012 CD GLU A 66 13.927 4.934 -4.926 1.00 0.00 C ATOM 1013 OE1 GLU A 66 12.993 4.985 -5.755 1.00 0.00 O ATOM 1014 OE2 GLU A 66 15.079 5.391 -5.088 1.00 0.00 O ATOM 0 H GLU A 66 12.376 3.486 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 66 14.411 5.504 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.763 4.774 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.740 6.154 -3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.568 4.005 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.109 3.310 -3.765 1.00 0.00 H new ATOM 1021 N GLU A 67 13.254 7.425 -0.327 1.00 0.00 N ATOM 1022 CA GLU A 67 12.678 8.513 0.446 1.00 0.00 C ATOM 1023 C GLU A 67 11.197 8.683 0.100 1.00 0.00 C ATOM 1024 O GLU A 67 10.364 8.849 0.989 1.00 0.00 O ATOM 1025 CB GLU A 67 13.447 9.815 0.218 1.00 0.00 C ATOM 1026 CG GLU A 67 13.448 10.200 -1.263 1.00 0.00 C ATOM 1027 CD GLU A 67 14.289 11.456 -1.503 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.493 11.404 -1.172 1.00 0.00 O ATOM 1029 OE2 GLU A 67 13.708 12.438 -2.012 1.00 0.00 O ATOM 0 H GLU A 67 14.147 7.642 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 67 12.758 8.263 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.996 10.615 0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.473 9.702 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.842 9.375 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.425 10.373 -1.598 1.00 0.00 H new ATOM 1036 N LYS A 68 10.915 8.637 -1.194 1.00 0.00 N ATOM 1037 CA LYS A 68 9.550 8.784 -1.668 1.00 0.00 C ATOM 1038 C LYS A 68 9.266 7.721 -2.730 1.00 0.00 C ATOM 1039 O LYS A 68 10.188 7.208 -3.362 1.00 0.00 O ATOM 1040 CB LYS A 68 9.300 10.216 -2.148 1.00 0.00 C ATOM 1041 CG LYS A 68 10.417 10.682 -3.084 1.00 0.00 C ATOM 1042 CD LYS A 68 9.842 11.256 -4.380 1.00 0.00 C ATOM 1043 CE LYS A 68 9.098 12.567 -4.117 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.054 13.692 -4.008 1.00 0.00 N ATOM 0 H LYS A 68 11.609 8.500 -1.929 1.00 0.00 H new ATOM 0 HA LYS A 68 8.844 8.618 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.342 10.268 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.236 10.885 -1.290 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.023 11.438 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.077 9.845 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.647 11.428 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.163 10.533 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.391 12.759 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.518 12.485 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.533 14.574 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.712 13.514 -3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.590 13.780 -4.895 1.00 0.00 H new ATOM 1058 N LEU A 69 7.986 7.421 -2.895 1.00 0.00 N ATOM 1059 CA LEU A 69 7.569 6.428 -3.870 1.00 0.00 C ATOM 1060 C LEU A 69 6.254 6.873 -4.515 1.00 0.00 C ATOM 1061 O LEU A 69 5.610 7.807 -4.039 1.00 0.00 O ATOM 1062 CB LEU A 69 7.500 5.042 -3.227 1.00 0.00 C ATOM 1063 CG LEU A 69 8.171 3.908 -4.005 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.097 3.095 -3.098 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.129 3.027 -4.698 1.00 0.00 C ATOM 0 H LEU A 69 7.224 7.849 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 69 8.305 6.347 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.957 5.098 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.451 4.784 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 69 8.790 4.349 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.561 2.295 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.871 3.746 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.519 2.664 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.632 2.229 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.465 2.593 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.547 3.631 -5.394 1.00 0.00 H new ATOM 1077 N LYS A 70 5.896 6.184 -5.588 1.00 0.00 N ATOM 1078 CA LYS A 70 4.670 6.497 -6.303 1.00 0.00 C ATOM 1079 C LYS A 70 3.512 5.705 -5.692 1.00 0.00 C ATOM 1080 O LYS A 70 3.717 4.623 -5.144 1.00 0.00 O ATOM 1081 CB LYS A 70 4.851 6.263 -7.804 1.00 0.00 C ATOM 1082 CG LYS A 70 6.106 6.967 -8.322 1.00 0.00 C ATOM 1083 CD LYS A 70 6.325 6.677 -9.808 1.00 0.00 C ATOM 1084 CE LYS A 70 7.816 6.557 -10.129 1.00 0.00 C ATOM 1085 NZ LYS A 70 8.051 5.462 -11.098 1.00 0.00 N ATOM 0 H LYS A 70 6.433 5.410 -5.980 1.00 0.00 H new ATOM 0 HA LYS A 70 4.425 7.554 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.922 5.194 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.976 6.630 -8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.014 8.042 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.974 6.636 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.815 5.753 -10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.883 7.474 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.183 7.498 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.377 6.368 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.884 4.912 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.218 4.840 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.217 5.864 -12.043 1.00 0.00 H new ATOM 1099 N PHE A 71 2.322 6.275 -5.807 1.00 0.00 N ATOM 1100 CA PHE A 71 1.131 5.636 -5.272 1.00 0.00 C ATOM 1101 C PHE A 71 0.725 4.433 -6.125 1.00 0.00 C ATOM 1102 O PHE A 71 -0.044 3.582 -5.680 1.00 0.00 O ATOM 1103 CB PHE A 71 0.009 6.676 -5.312 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.008 7.618 -4.107 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.171 7.117 -2.853 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.139 8.958 -4.289 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.187 7.992 -1.735 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.123 9.833 -3.171 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.040 9.331 -1.917 1.00 0.00 C ATOM 0 H PHE A 71 2.156 7.172 -6.263 1.00 0.00 H new ATOM 0 HA PHE A 71 1.322 5.282 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.108 7.268 -6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.949 6.160 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.288 6.053 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.268 9.357 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.316 7.594 -0.740 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.240 10.897 -3.316 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.053 9.996 -1.066 1.00 0.00 H new ATOM 1119 N THR A 72 1.261 4.399 -7.337 1.00 0.00 N ATOM 1120 CA THR A 72 0.964 3.314 -8.256 1.00 0.00 C ATOM 1121 C THR A 72 2.066 2.254 -8.204 1.00 0.00 C ATOM 1122 O THR A 72 1.782 1.057 -8.225 1.00 0.00 O ATOM 1123 CB THR A 72 0.765 3.915 -9.649 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.982 4.613 -9.903 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.303 5.010 -9.667 1.00 0.00 C ATOM 0 H THR A 72 1.899 5.106 -7.703 1.00 0.00 H new ATOM 0 HA THR A 72 0.046 2.798 -7.974 1.00 0.00 H new ATOM 0 HB THR A 72 0.488 3.126 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.940 5.032 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.405 5.403 -10.679 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.256 4.594 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.010 5.815 -8.993 1.00 0.00 H new ATOM 1133 N MET A 73 3.300 2.732 -8.136 1.00 0.00 N ATOM 1134 CA MET A 73 4.445 1.840 -8.080 1.00 0.00 C ATOM 1135 C MET A 73 4.349 0.899 -6.877 1.00 0.00 C ATOM 1136 O MET A 73 4.814 -0.239 -6.936 1.00 0.00 O ATOM 1137 CB MET A 73 5.730 2.665 -7.981 1.00 0.00 C ATOM 1138 CG MET A 73 5.970 3.461 -9.266 1.00 0.00 C ATOM 1139 SD MET A 73 6.591 2.383 -10.546 1.00 0.00 S ATOM 1140 CE MET A 73 8.307 2.289 -10.067 1.00 0.00 C ATOM 0 H MET A 73 3.532 3.725 -8.118 1.00 0.00 H new ATOM 0 HA MET A 73 4.458 1.238 -8.989 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.664 3.347 -7.133 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.577 2.005 -7.794 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.041 3.929 -9.592 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.683 4.264 -9.078 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.936 2.583 -10.907 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.487 2.959 -9.226 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.548 1.267 -9.774 1.00 0.00 H new ATOM 1150 N VAL A 74 3.744 1.408 -5.815 1.00 0.00 N ATOM 1151 CA VAL A 74 3.581 0.627 -4.600 1.00 0.00 C ATOM 1152 C VAL A 74 3.182 -0.803 -4.968 1.00 0.00 C ATOM 1153 O VAL A 74 3.489 -1.745 -4.238 1.00 0.00 O ATOM 1154 CB VAL A 74 2.574 1.308 -3.671 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.191 0.389 -2.509 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.117 2.643 -3.158 1.00 0.00 C ATOM 0 H VAL A 74 3.360 2.352 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 74 4.522 0.572 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 74 1.672 1.513 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.474 0.897 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.743 -0.525 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.083 0.139 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.382 3.106 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.041 2.472 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.316 3.304 -4.002 1.00 0.00 H new ATOM 1166 N SER A 75 2.505 -0.922 -6.101 1.00 0.00 N ATOM 1167 CA SER A 75 2.061 -2.222 -6.575 1.00 0.00 C ATOM 1168 C SER A 75 3.268 -3.073 -6.976 1.00 0.00 C ATOM 1169 O SER A 75 3.405 -4.211 -6.532 1.00 0.00 O ATOM 1170 CB SER A 75 1.097 -2.079 -7.754 1.00 0.00 C ATOM 1171 OG SER A 75 0.076 -1.120 -7.495 1.00 0.00 O ATOM 0 H SER A 75 2.253 -0.139 -6.705 1.00 0.00 H new ATOM 0 HA SER A 75 1.528 -2.718 -5.764 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.654 -1.785 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.641 -3.045 -7.969 1.00 0.00 H new ATOM 0 HG SER A 75 0.419 -0.220 -7.676 1.00 0.00 H new ATOM 1177 N GLN A 76 4.113 -2.487 -7.812 1.00 0.00 N ATOM 1178 CA GLN A 76 5.303 -3.177 -8.278 1.00 0.00 C ATOM 1179 C GLN A 76 6.472 -2.921 -7.325 1.00 0.00 C ATOM 1180 O GLN A 76 7.622 -2.836 -7.755 1.00 0.00 O ATOM 1181 CB GLN A 76 5.658 -2.755 -9.705 1.00 0.00 C ATOM 1182 CG GLN A 76 6.155 -1.309 -9.742 1.00 0.00 C ATOM 1183 CD GLN A 76 6.230 -0.791 -11.180 1.00 0.00 C ATOM 1184 OE1 GLN A 76 7.198 -1.000 -11.893 1.00 0.00 O ATOM 1185 NE2 GLN A 76 5.157 -0.106 -11.565 1.00 0.00 N ATOM 0 H GLN A 76 3.997 -1.542 -8.178 1.00 0.00 H new ATOM 0 HA GLN A 76 5.097 -4.247 -8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.426 -3.418 -10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.783 -2.859 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.487 -0.676 -9.158 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.139 -1.247 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.381 0.032 -10.918 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.110 0.281 -12.508 1.00 0.00 H new ATOM 1194 N LYS A 77 6.139 -2.806 -6.048 1.00 0.00 N ATOM 1195 CA LYS A 77 7.146 -2.562 -5.030 1.00 0.00 C ATOM 1196 C LYS A 77 6.877 -3.465 -3.824 1.00 0.00 C ATOM 1197 O LYS A 77 7.757 -4.206 -3.390 1.00 0.00 O ATOM 1198 CB LYS A 77 7.207 -1.073 -4.682 1.00 0.00 C ATOM 1199 CG LYS A 77 7.706 -0.252 -5.872 1.00 0.00 C ATOM 1200 CD LYS A 77 9.127 0.261 -5.628 1.00 0.00 C ATOM 1201 CE LYS A 77 9.364 1.585 -6.356 1.00 0.00 C ATOM 1202 NZ LYS A 77 10.707 1.600 -6.979 1.00 0.00 N ATOM 0 H LYS A 77 5.185 -2.877 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 77 8.136 -2.819 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.218 -0.725 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.868 -0.922 -3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.686 -0.864 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.036 0.590 -6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.290 0.395 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.849 -0.481 -5.970 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.600 1.728 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.273 2.414 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.852 2.506 -7.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.432 1.485 -6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.781 0.820 -7.663 1.00 0.00 H new ATOM 1216 N ILE A 78 5.656 -3.373 -3.318 1.00 0.00 N ATOM 1217 CA ILE A 78 5.259 -4.172 -2.172 1.00 0.00 C ATOM 1218 C ILE A 78 5.313 -5.655 -2.545 1.00 0.00 C ATOM 1219 O ILE A 78 5.508 -6.510 -1.682 1.00 0.00 O ATOM 1220 CB ILE A 78 3.894 -3.720 -1.650 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.792 -4.011 -2.671 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.923 -2.245 -1.243 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.886 -5.147 -2.191 1.00 0.00 C ATOM 0 H ILE A 78 4.929 -2.757 -3.681 1.00 0.00 H new ATOM 0 HA ILE A 78 5.956 -4.025 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 78 3.663 -4.297 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.198 -3.112 -2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.240 -4.278 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.940 -1.950 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.663 -2.099 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.186 -1.634 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.111 -5.334 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.479 -6.051 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.421 -4.867 -1.246 1.00 0.00 H new ATOM 1235 N SER A 79 5.138 -5.915 -3.833 1.00 0.00 N ATOM 1236 CA SER A 79 5.165 -7.279 -4.331 1.00 0.00 C ATOM 1237 C SER A 79 6.408 -8.003 -3.809 1.00 0.00 C ATOM 1238 O SER A 79 6.311 -9.111 -3.285 1.00 0.00 O ATOM 1239 CB SER A 79 5.137 -7.308 -5.861 1.00 0.00 C ATOM 1240 OG SER A 79 6.309 -6.726 -6.427 1.00 0.00 O ATOM 0 H SER A 79 4.977 -5.204 -4.546 1.00 0.00 H new ATOM 0 HA SER A 79 4.274 -7.793 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.043 -8.339 -6.203 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.257 -6.772 -6.218 1.00 0.00 H new ATOM 0 HG SER A 79 6.254 -6.765 -7.405 1.00 0.00 H new ATOM 1246 N HIS A 80 7.547 -7.346 -3.971 1.00 0.00 N ATOM 1247 CA HIS A 80 8.808 -7.913 -3.523 1.00 0.00 C ATOM 1248 C HIS A 80 8.667 -8.400 -2.079 1.00 0.00 C ATOM 1249 O HIS A 80 9.343 -9.342 -1.669 1.00 0.00 O ATOM 1250 CB HIS A 80 9.949 -6.909 -3.701 1.00 0.00 C ATOM 1251 CG HIS A 80 10.713 -7.072 -4.993 1.00 0.00 C ATOM 1252 ND1 HIS A 80 10.162 -6.792 -6.231 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.991 -7.487 -5.226 1.00 0.00 C ATOM 1254 CE1 HIS A 80 11.075 -7.033 -7.160 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.208 -7.464 -6.535 1.00 0.00 N ATOM 0 H HIS A 80 7.623 -6.427 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 80 9.062 -8.776 -4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.541 -5.899 -3.657 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.642 -7.010 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 80 12.706 -7.784 -4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.945 -6.910 -8.225 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.079 -7.726 -6.997 1.00 0.00 H new ATOM 1263 N HIS A 81 7.784 -7.735 -1.348 1.00 0.00 N ATOM 1264 CA HIS A 81 7.546 -8.089 0.041 1.00 0.00 C ATOM 1265 C HIS A 81 6.454 -9.158 0.119 1.00 0.00 C ATOM 1266 O HIS A 81 6.508 -10.044 0.971 1.00 0.00 O ATOM 1267 CB HIS A 81 7.218 -6.845 0.870 1.00 0.00 C ATOM 1268 CG HIS A 81 8.303 -5.795 0.859 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.330 -5.770 1.786 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.512 -4.737 0.024 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.115 -4.738 1.513 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.606 -4.099 0.421 1.00 0.00 N ATOM 0 H HIS A 81 7.225 -6.954 -1.691 1.00 0.00 H new ATOM 0 HA HIS A 81 8.453 -8.514 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.295 -6.403 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.030 -7.147 1.900 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.892 -4.465 -0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.002 -4.453 2.059 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.001 -3.268 -0.018 1.00 0.00 H new ATOM 1280 N LEU A 82 5.490 -9.040 -0.782 1.00 0.00 N ATOM 1281 CA LEU A 82 4.387 -9.985 -0.826 1.00 0.00 C ATOM 1282 C LEU A 82 4.944 -11.410 -0.865 1.00 0.00 C ATOM 1283 O LEU A 82 5.813 -11.719 -1.679 1.00 0.00 O ATOM 1284 CB LEU A 82 3.449 -9.660 -1.990 1.00 0.00 C ATOM 1285 CG LEU A 82 2.808 -8.271 -1.966 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.858 -8.085 -3.151 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.114 -8.010 -0.628 1.00 0.00 C ATOM 0 H LEU A 82 5.450 -8.304 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 82 3.779 -9.904 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.007 -9.765 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.654 -10.405 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 82 3.599 -7.528 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.416 -7.090 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.412 -8.198 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.068 -8.835 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.667 -7.016 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.336 -8.756 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.844 -8.071 0.179 1.00 0.00 H new ATOM 1299 N SER A 83 4.421 -12.240 0.025 1.00 0.00 N ATOM 1300 CA SER A 83 4.854 -13.625 0.103 1.00 0.00 C ATOM 1301 C SER A 83 3.639 -14.554 0.117 1.00 0.00 C ATOM 1302 O SER A 83 2.533 -14.130 0.448 1.00 0.00 O ATOM 1303 CB SER A 83 5.719 -13.862 1.343 1.00 0.00 C ATOM 1304 OG SER A 83 7.101 -13.632 1.082 1.00 0.00 O ATOM 0 H SER A 83 3.701 -11.980 0.699 1.00 0.00 H new ATOM 0 HA SER A 83 5.459 -13.844 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.388 -13.205 2.147 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.581 -14.886 1.691 1.00 0.00 H new ATOM 0 HG SER A 83 7.619 -13.792 1.898 1.00 0.00 H new ATOM 1310 N PRO A 84 3.892 -15.837 -0.254 1.00 0.00 N ATOM 1311 CA PRO A 84 2.832 -16.830 -0.287 1.00 0.00 C ATOM 1312 C PRO A 84 2.456 -17.277 1.127 1.00 0.00 C ATOM 1313 O PRO A 84 3.310 -17.730 1.887 1.00 0.00 O ATOM 1314 CB PRO A 84 3.378 -17.961 -1.142 1.00 0.00 C ATOM 1315 CG PRO A 84 4.886 -17.771 -1.171 1.00 0.00 C ATOM 1316 CD PRO A 84 5.190 -16.375 -0.652 1.00 0.00 C ATOM 0 HA PRO A 84 1.905 -16.442 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.115 -18.931 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.961 -17.926 -2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.377 -18.523 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.267 -17.893 -2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.881 -16.407 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.655 -15.759 -1.422 1.00 0.00 H new ATOM 1324 N PRO A 85 1.141 -17.131 1.445 1.00 0.00 N ATOM 1325 CA PRO A 85 0.642 -17.515 2.755 1.00 0.00 C ATOM 1326 C PRO A 85 0.538 -19.036 2.878 1.00 0.00 C ATOM 1327 O PRO A 85 0.742 -19.757 1.902 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.702 -16.815 2.883 1.00 0.00 C ATOM 1329 CG PRO A 85 -1.117 -16.446 1.468 1.00 0.00 C ATOM 1330 CD PRO A 85 0.101 -16.598 0.571 1.00 0.00 C ATOM 0 HA PRO A 85 1.310 -17.219 3.564 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.440 -17.469 3.348 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.622 -15.927 3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.926 -17.092 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.491 -15.423 1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.102 -17.273 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.397 -15.642 0.140 1.00 0.00 H new ATOM 1338 N PRO A 86 0.212 -19.492 4.117 1.00 0.00 N ATOM 1339 CA PRO A 86 0.078 -20.914 4.380 1.00 0.00 C ATOM 1340 C PRO A 86 -1.228 -21.459 3.799 1.00 0.00 C ATOM 1341 O PRO A 86 -2.180 -20.709 3.591 1.00 0.00 O ATOM 1342 CB PRO A 86 0.155 -21.044 5.893 1.00 0.00 C ATOM 1343 CG PRO A 86 -0.138 -19.658 6.445 1.00 0.00 C ATOM 1344 CD PRO A 86 -0.037 -18.668 5.296 1.00 0.00 C ATOM 0 HA PRO A 86 0.860 -21.505 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.569 -21.772 6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.141 -21.389 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.133 -19.627 6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.571 -19.403 7.232 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.955 -18.091 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.771 -17.954 5.458 1.00 0.00 H new ATOM 1352 N PRO A 87 -1.231 -22.796 3.547 1.00 0.00 N ATOM 1353 CA PRO A 87 -2.405 -23.450 2.993 1.00 0.00 C ATOM 1354 C PRO A 87 -3.494 -23.613 4.056 1.00 0.00 C ATOM 1355 O PRO A 87 -4.643 -23.232 3.836 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.898 -24.778 2.455 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.561 -25.021 3.136 1.00 0.00 C ATOM 1358 CD PRO A 87 -0.122 -23.716 3.781 1.00 0.00 C ATOM 0 HA PRO A 87 -2.877 -22.868 2.201 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.600 -25.582 2.675 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.784 -24.742 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.652 -25.806 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.181 -25.357 2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.067 -23.845 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.801 -23.345 3.336 1.00 0.00 H new ATOM 1366 N SER A 88 -3.094 -24.178 5.185 1.00 0.00 N ATOM 1367 CA SER A 88 -4.022 -24.396 6.282 1.00 0.00 C ATOM 1368 C SER A 88 -5.167 -25.303 5.828 1.00 0.00 C ATOM 1369 O SER A 88 -6.183 -24.823 5.329 1.00 0.00 O ATOM 1370 CB SER A 88 -4.573 -23.069 6.809 1.00 0.00 C ATOM 1371 OG SER A 88 -3.675 -22.441 7.719 1.00 0.00 O ATOM 0 H SER A 88 -2.140 -24.492 5.364 1.00 0.00 H new ATOM 0 HA SER A 88 -3.482 -24.883 7.094 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.767 -22.399 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.528 -23.244 7.305 1.00 0.00 H new ATOM 0 HG SER A 88 -4.063 -21.597 8.031 1.00 0.00 H new ATOM 1377 N GLY A 89 -4.963 -26.599 6.016 1.00 0.00 N ATOM 1378 CA GLY A 89 -5.965 -27.578 5.632 1.00 0.00 C ATOM 1379 C GLY A 89 -6.492 -28.333 6.854 1.00 0.00 C ATOM 1380 O GLY A 89 -7.507 -27.951 7.434 1.00 0.00 O ATOM 0 H GLY A 89 -4.118 -26.993 6.429 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.791 -27.079 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.535 -28.284 4.922 1.00 0.00 H new ATOM 1384 N PRO A 90 -5.759 -29.418 7.219 1.00 0.00 N ATOM 1385 CA PRO A 90 -6.141 -30.230 8.362 1.00 0.00 C ATOM 1386 C PRO A 90 -5.807 -29.520 9.675 1.00 0.00 C ATOM 1387 O PRO A 90 -4.771 -29.785 10.282 1.00 0.00 O ATOM 1388 CB PRO A 90 -5.387 -31.538 8.185 1.00 0.00 C ATOM 1389 CG PRO A 90 -4.260 -31.241 7.210 1.00 0.00 C ATOM 1390 CD PRO A 90 -4.551 -29.900 6.556 1.00 0.00 C ATOM 0 HA PRO A 90 -7.215 -30.409 8.411 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.995 -31.895 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.043 -32.318 7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.303 -31.212 7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.190 -32.026 6.457 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.722 -29.206 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.705 -30.008 5.482 1.00 0.00 H new ATOM 1398 N SER A 91 -6.705 -28.631 10.075 1.00 0.00 N ATOM 1399 CA SER A 91 -6.519 -27.881 11.305 1.00 0.00 C ATOM 1400 C SER A 91 -7.824 -27.185 11.697 1.00 0.00 C ATOM 1401 O SER A 91 -8.031 -26.017 11.372 1.00 0.00 O ATOM 1402 CB SER A 91 -5.393 -26.854 11.159 1.00 0.00 C ATOM 1403 OG SER A 91 -4.182 -27.300 11.762 1.00 0.00 O ATOM 0 H SER A 91 -7.563 -28.414 9.569 1.00 0.00 H new ATOM 0 HA SER A 91 -6.237 -28.580 12.092 1.00 0.00 H new ATOM 0 HB2 SER A 91 -5.219 -26.654 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.700 -25.913 11.615 1.00 0.00 H new ATOM 0 HG SER A 91 -4.005 -28.226 11.495 1.00 0.00 H new ATOM 1409 N SER A 92 -8.671 -27.933 12.389 1.00 0.00 N ATOM 1410 CA SER A 92 -9.950 -27.403 12.829 1.00 0.00 C ATOM 1411 C SER A 92 -10.406 -28.123 14.100 1.00 0.00 C ATOM 1412 O SER A 92 -11.212 -29.050 14.037 1.00 0.00 O ATOM 1413 CB SER A 92 -11.009 -27.540 11.733 1.00 0.00 C ATOM 1414 OG SER A 92 -11.111 -26.361 10.939 1.00 0.00 O ATOM 0 H SER A 92 -8.496 -28.902 12.656 1.00 0.00 H new ATOM 0 HA SER A 92 -9.824 -26.342 13.045 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.762 -28.387 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.976 -27.756 12.188 1.00 0.00 H new ATOM 0 HG SER A 92 -10.228 -25.944 10.857 1.00 0.00 H new ATOM 1420 N GLY A 93 -9.870 -27.669 15.223 1.00 0.00 N ATOM 1421 CA GLY A 93 -10.212 -28.258 16.507 1.00 0.00 C ATOM 1422 C GLY A 93 -9.387 -27.634 17.634 1.00 0.00 C ATOM 1423 O GLY A 93 -9.670 -26.519 18.071 1.00 0.00 O ATOM 0 H GLY A 93 -9.201 -26.900 15.271 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.274 -28.114 16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.037 -29.333 16.476 1.00 0.00 H new TER 1427 GLY A 93