USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 656 hydrogens (32 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 NoAdj-H: A 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Set 1.1: A 59 MET CE :methyl -169:sc= -0.155 (180deg=-0.449) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.585 K(o=-0.74,f=-2.8!) USER MOD Single : A 1 ASN : amide:sc= 0.667 K(o=0.67,f=-5.2!) USER MOD Single : A 1 ASN N :NH3+ 174:sc= 1.09 (180deg=0.937) USER MOD Single : A 3 GLN : amide:sc= -0.813 K(o=-0.81,f=-5.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.12) USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= 0.0189 (180deg=-0.352) USER MOD Single : A 11 MET CE :methyl 162:sc= -0.184 (180deg=-0.514) USER MOD Single : A 14 HIS : no HE2:sc= -8.48! C(o=-8.5!,f=-15!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0177) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 97:sc= -4.38! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 98:sc= -0.0797 USER MOD Single : A 36 LYS NZ :NH3+ 147:sc= -0.0759 (180deg=-0.546) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 167:sc= 0.937 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0062) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0706 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.71 K(o=-1.7,f=-2.6) USER MOD Single : A 74 GLN : amide:sc= -1.85 K(o=-1.8,f=-8.6!) USER MOD Single : A 78 SER OG : rot 90:sc= 0.0121 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 62.968 -11.844 5.170 1.00 0.00 N ATOM 2 CA ASN A 1 61.955 -11.693 6.252 1.00 0.00 C ATOM 3 C ASN A 1 62.111 -10.320 6.911 1.00 0.00 C ATOM 4 O ASN A 1 63.032 -9.583 6.621 1.00 0.00 O ATOM 5 CB ASN A 1 62.159 -12.791 7.299 1.00 0.00 C ATOM 6 CG ASN A 1 63.653 -13.089 7.441 1.00 0.00 C ATOM 7 OD1 ASN A 1 64.482 -12.255 7.136 1.00 0.00 O ATOM 8 ND2 ASN A 1 64.033 -14.250 7.899 1.00 0.00 N ATOM 0 H1 ASN A 1 62.930 -12.812 4.791 1.00 0.00 H new ATOM 0 H2 ASN A 1 62.766 -11.166 4.408 1.00 0.00 H new ATOM 0 H3 ASN A 1 63.917 -11.660 5.555 1.00 0.00 H new ATOM 0 HA ASN A 1 60.955 -11.779 5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 1 61.748 -12.475 8.258 1.00 0.00 H new ATOM 0 HB3 ASN A 1 61.624 -13.694 7.004 1.00 0.00 H new ATOM 0 HD21 ASN A 1 65.026 -14.458 8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 1 63.337 -14.950 8.155 1.00 0.00 H new ATOM 17 N GLU A 2 61.215 -9.971 7.793 1.00 0.00 N ATOM 18 CA GLU A 2 61.308 -8.647 8.470 1.00 0.00 C ATOM 19 C GLU A 2 61.988 -8.813 9.831 1.00 0.00 C ATOM 20 O GLU A 2 61.504 -9.517 10.694 1.00 0.00 O ATOM 21 CB GLU A 2 59.899 -8.080 8.670 1.00 0.00 C ATOM 22 CG GLU A 2 59.962 -6.863 9.594 1.00 0.00 C ATOM 23 CD GLU A 2 59.366 -7.223 10.957 1.00 0.00 C ATOM 24 OE1 GLU A 2 59.965 -8.031 11.648 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.323 -6.683 11.287 1.00 0.00 O ATOM 0 H GLU A 2 60.421 -10.547 8.074 1.00 0.00 H new ATOM 0 HA GLU A 2 61.894 -7.964 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 2 59.470 -7.797 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.247 -8.841 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 2 60.995 -6.536 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 2 59.413 -6.031 9.154 1.00 0.00 H new ATOM 32 N GLN A 3 63.106 -8.168 10.030 1.00 0.00 N ATOM 33 CA GLN A 3 63.812 -8.290 11.337 1.00 0.00 C ATOM 34 C GLN A 3 65.212 -7.684 11.229 1.00 0.00 C ATOM 35 O GLN A 3 65.472 -6.607 11.724 1.00 0.00 O ATOM 36 CB GLN A 3 63.924 -9.766 11.722 1.00 0.00 C ATOM 37 CG GLN A 3 63.010 -10.052 12.913 1.00 0.00 C ATOM 38 CD GLN A 3 63.620 -9.452 14.180 1.00 0.00 C ATOM 39 OE1 GLN A 3 64.152 -8.361 14.155 1.00 0.00 O ATOM 40 NE2 GLN A 3 63.565 -10.124 15.297 1.00 0.00 N ATOM 0 H GLN A 3 63.560 -7.563 9.345 1.00 0.00 H new ATOM 0 HA GLN A 3 63.247 -7.756 12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 3 63.646 -10.396 10.877 1.00 0.00 H new ATOM 0 HB3 GLN A 3 64.956 -10.010 11.975 1.00 0.00 H new ATOM 0 HG2 GLN A 3 62.022 -9.628 12.736 1.00 0.00 H new ATOM 0 HG3 GLN A 3 62.878 -11.127 13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 3 63.118 -11.041 15.319 1.00 0.00 H new ATOM 0 HE22 GLN A 3 63.969 -9.733 16.148 1.00 0.00 H new ATOM 49 N LEU A 4 66.115 -8.374 10.593 1.00 0.00 N ATOM 50 CA LEU A 4 67.501 -7.841 10.460 1.00 0.00 C ATOM 51 C LEU A 4 67.449 -6.381 10.001 1.00 0.00 C ATOM 52 O LEU A 4 68.291 -5.579 10.353 1.00 0.00 O ATOM 53 CB LEU A 4 68.283 -8.681 9.442 1.00 0.00 C ATOM 54 CG LEU A 4 67.896 -8.275 8.017 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.893 -7.239 7.494 1.00 0.00 C ATOM 56 CD2 LEU A 4 67.921 -9.507 7.111 1.00 0.00 C ATOM 0 H LEU A 4 65.955 -9.283 10.159 1.00 0.00 H new ATOM 0 HA LEU A 4 68.003 -7.894 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.354 -8.542 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.075 -9.740 9.596 1.00 0.00 H new ATOM 0 HG LEU A 4 66.894 -7.847 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.618 -6.949 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.877 -6.361 8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.895 -7.668 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 4 67.646 -9.218 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 4 68.923 -9.935 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 4 67.212 -10.247 7.483 1.00 0.00 H new ATOM 68 N ALA A 5 66.467 -6.028 9.216 1.00 0.00 N ATOM 69 CA ALA A 5 66.366 -4.621 8.738 1.00 0.00 C ATOM 70 C ALA A 5 66.037 -3.705 9.917 1.00 0.00 C ATOM 71 O ALA A 5 66.592 -2.633 10.057 1.00 0.00 O ATOM 72 CB ALA A 5 65.257 -4.516 7.689 1.00 0.00 C ATOM 0 H ALA A 5 65.732 -6.653 8.886 1.00 0.00 H new ATOM 0 HA ALA A 5 67.315 -4.320 8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 5 65.183 -3.486 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 5 65.489 -5.169 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.308 -4.818 8.132 1.00 0.00 H new ATOM 78 N LYS A 6 65.138 -4.119 10.767 1.00 0.00 N ATOM 79 CA LYS A 6 64.773 -3.272 11.938 1.00 0.00 C ATOM 80 C LYS A 6 66.031 -2.956 12.751 1.00 0.00 C ATOM 81 O LYS A 6 66.237 -1.841 13.186 1.00 0.00 O ATOM 82 CB LYS A 6 63.770 -4.020 12.818 1.00 0.00 C ATOM 83 CG LYS A 6 62.421 -4.108 12.100 1.00 0.00 C ATOM 84 CD LYS A 6 61.442 -4.924 12.947 1.00 0.00 C ATOM 85 CE LYS A 6 61.455 -4.402 14.385 1.00 0.00 C ATOM 86 NZ LYS A 6 60.388 -5.085 15.170 1.00 0.00 N ATOM 0 H LYS A 6 64.640 -5.007 10.702 1.00 0.00 H new ATOM 0 HA LYS A 6 64.324 -2.343 11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.141 -5.021 13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.653 -3.505 13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.023 -3.108 11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 6 62.547 -4.573 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 6 60.437 -4.852 12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.719 -5.978 12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 6 62.429 -4.583 14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 6 61.294 -3.324 14.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 60.396 -4.731 16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 59.462 -4.891 14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 60.561 -6.111 15.172 1.00 0.00 H new ATOM 100 N GLN A 7 66.873 -3.930 12.962 1.00 0.00 N ATOM 101 CA GLN A 7 68.117 -3.684 13.748 1.00 0.00 C ATOM 102 C GLN A 7 68.773 -2.389 13.268 1.00 0.00 C ATOM 103 O GLN A 7 69.162 -1.548 14.054 1.00 0.00 O ATOM 104 CB GLN A 7 69.087 -4.851 13.548 1.00 0.00 C ATOM 105 CG GLN A 7 69.219 -5.640 14.854 1.00 0.00 C ATOM 106 CD GLN A 7 70.364 -5.064 15.688 1.00 0.00 C ATOM 107 OE1 GLN A 7 70.205 -4.808 16.864 1.00 0.00 O ATOM 108 NE2 GLN A 7 71.521 -4.848 15.124 1.00 0.00 N ATOM 0 H GLN A 7 66.754 -4.885 12.625 1.00 0.00 H new ATOM 0 HA GLN A 7 67.868 -3.597 14.806 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.728 -5.503 12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 7 70.063 -4.477 13.237 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.286 -5.591 15.416 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.406 -6.692 14.638 1.00 0.00 H new ATOM 0 HE21 GLN A 7 71.655 -5.063 14.136 1.00 0.00 H new ATOM 0 HE22 GLN A 7 72.291 -4.464 15.671 1.00 0.00 H new ATOM 117 N LYS A 8 68.896 -2.223 11.981 1.00 0.00 N ATOM 118 CA LYS A 8 69.524 -0.982 11.445 1.00 0.00 C ATOM 119 C LYS A 8 68.609 0.210 11.728 1.00 0.00 C ATOM 120 O LYS A 8 69.062 1.294 12.036 1.00 0.00 O ATOM 121 CB LYS A 8 69.732 -1.122 9.935 1.00 0.00 C ATOM 122 CG LYS A 8 71.185 -0.794 9.586 1.00 0.00 C ATOM 123 CD LYS A 8 71.769 -1.914 8.723 1.00 0.00 C ATOM 124 CE LYS A 8 72.087 -3.124 9.603 1.00 0.00 C ATOM 125 NZ LYS A 8 73.486 -3.569 9.349 1.00 0.00 N ATOM 0 H LYS A 8 68.589 -2.893 11.276 1.00 0.00 H new ATOM 0 HA LYS A 8 70.489 -0.824 11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.491 -2.136 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 8 69.059 -0.452 9.401 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.236 0.155 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.772 -0.679 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.060 -2.194 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 8 72.673 -1.568 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 8 71.962 -2.865 10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 8 71.391 -3.936 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.491 -4.583 9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.882 -3.032 8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 74.063 -3.403 10.198 1.00 0.00 H new ATOM 139 N GLY A 9 67.322 0.018 11.627 1.00 0.00 N ATOM 140 CA GLY A 9 66.378 1.140 11.894 1.00 0.00 C ATOM 141 C GLY A 9 65.869 1.714 10.572 1.00 0.00 C ATOM 142 O GLY A 9 65.944 2.903 10.333 1.00 0.00 O ATOM 0 H GLY A 9 66.884 -0.867 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.540 0.787 12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.878 1.918 12.471 1.00 0.00 H new ATOM 146 N CYS A 10 65.346 0.884 9.712 1.00 0.00 N ATOM 147 CA CYS A 10 64.827 1.391 8.410 1.00 0.00 C ATOM 148 C CYS A 10 63.341 1.726 8.553 1.00 0.00 C ATOM 149 O CYS A 10 62.870 2.728 8.055 1.00 0.00 O ATOM 150 CB CYS A 10 65.005 0.322 7.329 1.00 0.00 C ATOM 151 SG CYS A 10 66.715 -0.272 7.328 1.00 0.00 S ATOM 0 H CYS A 10 65.256 -0.122 9.854 1.00 0.00 H new ATOM 0 HA CYS A 10 65.380 2.286 8.125 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.322 -0.508 7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 10 64.753 0.735 6.352 1.00 0.00 H new ATOM 156 N MET A 11 62.598 0.890 9.228 1.00 0.00 N ATOM 157 CA MET A 11 61.142 1.155 9.403 1.00 0.00 C ATOM 158 C MET A 11 60.939 2.525 10.052 1.00 0.00 C ATOM 159 O MET A 11 59.862 3.086 10.015 1.00 0.00 O ATOM 160 CB MET A 11 60.537 0.074 10.301 1.00 0.00 C ATOM 161 CG MET A 11 59.990 -1.060 9.435 1.00 0.00 C ATOM 162 SD MET A 11 61.363 -2.064 8.817 1.00 0.00 S ATOM 163 CE MET A 11 60.769 -2.233 7.116 1.00 0.00 C ATOM 0 H MET A 11 62.938 0.034 9.666 1.00 0.00 H new ATOM 0 HA MET A 11 60.653 1.143 8.429 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.293 -0.310 10.986 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.739 0.497 10.911 1.00 0.00 H new ATOM 0 HG2 MET A 11 59.306 -1.678 10.016 1.00 0.00 H new ATOM 0 HG3 MET A 11 59.420 -0.652 8.601 1.00 0.00 H new ATOM 0 HE1 MET A 11 61.593 -2.538 6.471 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.982 -2.986 7.079 1.00 0.00 H new ATOM 0 HE3 MET A 11 60.374 -1.277 6.772 1.00 0.00 H new ATOM 173 N ALA A 12 61.964 3.067 10.649 1.00 0.00 N ATOM 174 CA ALA A 12 61.828 4.400 11.302 1.00 0.00 C ATOM 175 C ALA A 12 61.126 5.365 10.345 1.00 0.00 C ATOM 176 O ALA A 12 60.485 6.309 10.760 1.00 0.00 O ATOM 177 CB ALA A 12 63.216 4.945 11.643 1.00 0.00 C ATOM 0 H ALA A 12 62.890 2.645 10.713 1.00 0.00 H new ATOM 0 HA ALA A 12 61.242 4.299 12.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.117 5.920 12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.720 4.258 12.322 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.802 5.046 10.729 1.00 0.00 H new ATOM 183 N CYS A 13 61.247 5.139 9.066 1.00 0.00 N ATOM 184 CA CYS A 13 60.589 6.049 8.087 1.00 0.00 C ATOM 185 C CYS A 13 59.760 5.236 7.085 1.00 0.00 C ATOM 186 O CYS A 13 58.817 5.734 6.505 1.00 0.00 O ATOM 187 CB CYS A 13 61.662 6.855 7.348 1.00 0.00 C ATOM 188 SG CYS A 13 62.706 7.708 8.559 1.00 0.00 S ATOM 0 H CYS A 13 61.772 4.366 8.657 1.00 0.00 H new ATOM 0 HA CYS A 13 59.923 6.730 8.617 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.268 6.194 6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.195 7.578 6.679 1.00 0.00 H new ATOM 193 N HIS A 14 60.094 3.989 6.881 1.00 0.00 N ATOM 194 CA HIS A 14 59.308 3.159 5.920 1.00 0.00 C ATOM 195 C HIS A 14 58.454 2.152 6.692 1.00 0.00 C ATOM 196 O HIS A 14 58.699 1.874 7.849 1.00 0.00 O ATOM 197 CB HIS A 14 60.257 2.397 4.992 1.00 0.00 C ATOM 198 CG HIS A 14 61.251 3.348 4.385 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.477 3.403 3.019 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.087 4.282 4.941 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.415 4.343 2.800 1.00 0.00 C ATOM 202 NE2 HIS A 14 62.822 4.910 3.939 1.00 0.00 N ATOM 0 H HIS A 14 60.872 3.511 7.335 1.00 0.00 H new ATOM 0 HA HIS A 14 58.667 3.814 5.329 1.00 0.00 H new ATOM 0 HB2 HIS A 14 60.778 1.619 5.550 1.00 0.00 H new ATOM 0 HB3 HIS A 14 59.689 1.899 4.206 1.00 0.00 H new ATOM 0 HD1 HIS A 14 61.016 2.834 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 14 62.164 4.498 5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.792 4.607 1.823 1.00 0.00 H new ATOM 210 N ASP A 15 57.457 1.599 6.058 1.00 0.00 N ATOM 211 CA ASP A 15 56.594 0.604 6.756 1.00 0.00 C ATOM 212 C ASP A 15 55.842 -0.238 5.728 1.00 0.00 C ATOM 213 O ASP A 15 54.814 -0.815 6.015 1.00 0.00 O ATOM 214 CB ASP A 15 55.597 1.334 7.659 1.00 0.00 C ATOM 215 CG ASP A 15 55.068 0.374 8.725 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.731 0.217 9.736 1.00 0.00 O ATOM 217 OD2 ASP A 15 54.006 -0.189 8.511 1.00 0.00 O ATOM 0 H ASP A 15 57.203 1.792 5.089 1.00 0.00 H new ATOM 0 HA ASP A 15 57.218 -0.051 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.079 2.189 8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.771 1.723 7.064 1.00 0.00 H new ATOM 222 N LEU A 16 56.370 -0.315 4.542 1.00 0.00 N ATOM 223 CA LEU A 16 55.736 -1.117 3.453 1.00 0.00 C ATOM 224 C LEU A 16 54.610 -0.324 2.795 1.00 0.00 C ATOM 225 O LEU A 16 54.625 -0.081 1.605 1.00 0.00 O ATOM 226 CB LEU A 16 55.156 -2.410 4.016 1.00 0.00 C ATOM 227 CG LEU A 16 56.187 -3.096 4.913 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.739 -4.531 5.193 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.546 -3.118 4.206 1.00 0.00 C ATOM 0 H LEU A 16 57.235 0.154 4.272 1.00 0.00 H new ATOM 0 HA LEU A 16 56.504 -1.348 2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.251 -2.195 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.870 -3.075 3.201 1.00 0.00 H new ATOM 0 HG LEU A 16 56.274 -2.549 5.852 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.472 -5.023 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.771 -4.519 5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.654 -5.076 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.281 -3.607 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.459 -3.666 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.866 -2.096 4.001 1.00 0.00 H new ATOM 241 N LYS A 17 53.625 0.064 3.552 1.00 0.00 N ATOM 242 CA LYS A 17 52.495 0.822 2.956 1.00 0.00 C ATOM 243 C LYS A 17 52.119 1.997 3.862 1.00 0.00 C ATOM 244 O LYS A 17 50.958 2.240 4.128 1.00 0.00 O ATOM 245 CB LYS A 17 51.289 -0.106 2.798 1.00 0.00 C ATOM 246 CG LYS A 17 51.762 -1.477 2.313 1.00 0.00 C ATOM 247 CD LYS A 17 50.579 -2.448 2.284 1.00 0.00 C ATOM 248 CE LYS A 17 50.856 -3.563 1.273 1.00 0.00 C ATOM 249 NZ LYS A 17 51.322 -4.783 1.992 1.00 0.00 N ATOM 0 H LYS A 17 53.554 -0.110 4.554 1.00 0.00 H new ATOM 0 HA LYS A 17 52.795 1.205 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.766 -0.205 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.580 0.319 2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 17 52.199 -1.391 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 17 52.542 -1.858 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 50.420 -2.873 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 17 49.666 -1.917 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 17 49.953 -3.786 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 51.611 -3.239 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 51.510 -5.540 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 52.194 -4.566 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 50.587 -5.095 2.659 1.00 0.00 H new ATOM 263 N ALA A 18 53.088 2.731 4.336 1.00 0.00 N ATOM 264 CA ALA A 18 52.777 3.890 5.219 1.00 0.00 C ATOM 265 C ALA A 18 53.717 5.048 4.878 1.00 0.00 C ATOM 266 O ALA A 18 54.540 5.454 5.675 1.00 0.00 O ATOM 267 CB ALA A 18 52.969 3.489 6.680 1.00 0.00 C ATOM 0 H ALA A 18 54.079 2.579 4.151 1.00 0.00 H new ATOM 0 HA ALA A 18 51.743 4.199 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.741 4.339 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.301 2.662 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 18 54.002 3.180 6.840 1.00 0.00 H new ATOM 273 N LYS A 19 53.596 5.578 3.695 1.00 0.00 N ATOM 274 CA LYS A 19 54.477 6.708 3.281 1.00 0.00 C ATOM 275 C LYS A 19 54.445 7.807 4.345 1.00 0.00 C ATOM 276 O LYS A 19 53.561 8.639 4.368 1.00 0.00 O ATOM 277 CB LYS A 19 53.985 7.277 1.949 1.00 0.00 C ATOM 278 CG LYS A 19 54.687 6.558 0.795 1.00 0.00 C ATOM 279 CD LYS A 19 54.334 7.245 -0.525 1.00 0.00 C ATOM 280 CE LYS A 19 53.396 6.346 -1.332 1.00 0.00 C ATOM 281 NZ LYS A 19 52.024 6.415 -0.752 1.00 0.00 N ATOM 0 H LYS A 19 52.922 5.277 2.992 1.00 0.00 H new ATOM 0 HA LYS A 19 55.498 6.344 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 19 52.905 7.153 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.188 8.347 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.766 6.572 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.382 5.512 0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.857 8.206 -0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.240 7.448 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.378 6.663 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 19 53.758 5.318 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 51.374 5.844 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.039 6.045 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 51.701 7.403 -0.741 1.00 0.00 H new ATOM 295 N LYS A 20 55.411 7.821 5.222 1.00 0.00 N ATOM 296 CA LYS A 20 55.446 8.870 6.279 1.00 0.00 C ATOM 297 C LYS A 20 56.651 9.780 6.042 1.00 0.00 C ATOM 298 O LYS A 20 56.564 10.775 5.350 1.00 0.00 O ATOM 299 CB LYS A 20 55.568 8.205 7.653 1.00 0.00 C ATOM 300 CG LYS A 20 54.201 8.202 8.341 1.00 0.00 C ATOM 301 CD LYS A 20 54.390 8.297 9.856 1.00 0.00 C ATOM 302 CE LYS A 20 53.284 7.504 10.557 1.00 0.00 C ATOM 303 NZ LYS A 20 52.686 8.334 11.642 1.00 0.00 N ATOM 0 H LYS A 20 56.179 7.150 5.252 1.00 0.00 H new ATOM 0 HA LYS A 20 54.530 9.459 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.934 7.184 7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.294 8.740 8.265 1.00 0.00 H new ATOM 0 HG2 LYS A 20 53.602 9.040 7.986 1.00 0.00 H new ATOM 0 HG3 LYS A 20 53.657 7.292 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 20 55.368 7.905 10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 20 54.362 9.340 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 52.516 7.218 9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 20 53.691 6.582 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 51.935 7.795 12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 53.422 8.585 12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 52.284 9.202 11.234 1.00 0.00 H new ATOM 317 N VAL A 21 57.779 9.442 6.601 1.00 0.00 N ATOM 318 CA VAL A 21 58.992 10.283 6.397 1.00 0.00 C ATOM 319 C VAL A 21 59.655 9.889 5.077 1.00 0.00 C ATOM 320 O VAL A 21 60.142 10.722 4.339 1.00 0.00 O ATOM 321 CB VAL A 21 59.975 10.056 7.546 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.236 10.890 7.311 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.325 10.478 8.864 1.00 0.00 C ATOM 0 H VAL A 21 57.914 8.620 7.190 1.00 0.00 H new ATOM 0 HA VAL A 21 58.708 11.335 6.370 1.00 0.00 H new ATOM 0 HB VAL A 21 60.241 9.000 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.937 10.728 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.700 10.591 6.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.970 11.946 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.025 10.316 9.683 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.059 11.534 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.426 9.885 9.033 1.00 0.00 H new ATOM 333 N GLY A 22 59.673 8.619 4.774 1.00 0.00 N ATOM 334 CA GLY A 22 60.299 8.161 3.503 1.00 0.00 C ATOM 335 C GLY A 22 59.252 7.439 2.651 1.00 0.00 C ATOM 336 O GLY A 22 58.098 7.359 3.026 1.00 0.00 O ATOM 0 H GLY A 22 59.280 7.878 5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.704 9.013 2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.134 7.493 3.716 1.00 0.00 H new ATOM 340 N PRO A 23 59.687 6.935 1.526 1.00 0.00 N ATOM 341 CA PRO A 23 58.813 6.211 0.588 1.00 0.00 C ATOM 342 C PRO A 23 58.565 4.783 1.081 1.00 0.00 C ATOM 343 O PRO A 23 59.426 4.160 1.671 1.00 0.00 O ATOM 344 CB PRO A 23 59.613 6.207 -0.717 1.00 0.00 C ATOM 345 CG PRO A 23 61.094 6.414 -0.323 1.00 0.00 C ATOM 346 CD PRO A 23 61.093 7.040 1.084 1.00 0.00 C ATOM 0 HA PRO A 23 57.830 6.668 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.481 5.266 -1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.274 7.001 -1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.631 5.466 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.597 7.066 -1.037 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.763 6.506 1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.426 8.078 1.059 1.00 0.00 H new ATOM 354 N ALA A 24 57.394 4.259 0.843 1.00 0.00 N ATOM 355 CA ALA A 24 57.093 2.872 1.296 1.00 0.00 C ATOM 356 C ALA A 24 57.999 1.887 0.554 1.00 0.00 C ATOM 357 O ALA A 24 58.292 2.058 -0.612 1.00 0.00 O ATOM 358 CB ALA A 24 55.629 2.549 0.995 1.00 0.00 C ATOM 0 H ALA A 24 56.633 4.731 0.355 1.00 0.00 H new ATOM 0 HA ALA A 24 57.271 2.789 2.368 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.405 1.535 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.985 3.253 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.452 2.629 -0.078 1.00 0.00 H new ATOM 364 N TYR A 25 58.449 0.860 1.222 1.00 0.00 N ATOM 365 CA TYR A 25 59.338 -0.131 0.555 1.00 0.00 C ATOM 366 C TYR A 25 58.577 -0.825 -0.575 1.00 0.00 C ATOM 367 O TYR A 25 59.113 -1.071 -1.637 1.00 0.00 O ATOM 368 CB TYR A 25 59.790 -1.172 1.579 1.00 0.00 C ATOM 369 CG TYR A 25 61.017 -0.670 2.301 1.00 0.00 C ATOM 370 CD1 TYR A 25 62.078 -0.119 1.575 1.00 0.00 C ATOM 371 CD2 TYR A 25 61.091 -0.755 3.696 1.00 0.00 C ATOM 372 CE1 TYR A 25 63.216 0.347 2.244 1.00 0.00 C ATOM 373 CE2 TYR A 25 62.229 -0.290 4.366 1.00 0.00 C ATOM 374 CZ TYR A 25 63.292 0.263 3.639 1.00 0.00 C ATOM 375 OH TYR A 25 64.412 0.722 4.298 1.00 0.00 O ATOM 0 H TYR A 25 58.239 0.665 2.201 1.00 0.00 H new ATOM 0 HA TYR A 25 60.208 0.380 0.143 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.990 -1.367 2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 25 60.009 -2.116 1.081 1.00 0.00 H new ATOM 0 HD1 TYR A 25 62.019 -0.053 0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 25 60.270 -1.179 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.036 0.772 1.683 1.00 0.00 H new ATOM 0 HE2 TYR A 25 62.288 -0.357 5.442 1.00 0.00 H new ATOM 0 HH TYR A 25 64.250 1.632 4.623 1.00 0.00 H new ATOM 385 N ALA A 26 57.332 -1.146 -0.355 1.00 0.00 N ATOM 386 CA ALA A 26 56.541 -1.827 -1.418 1.00 0.00 C ATOM 387 C ALA A 26 56.499 -0.946 -2.670 1.00 0.00 C ATOM 388 O ALA A 26 56.746 -1.401 -3.771 1.00 0.00 O ATOM 389 CB ALA A 26 55.115 -2.069 -0.917 1.00 0.00 C ATOM 0 H ALA A 26 56.829 -0.966 0.514 1.00 0.00 H new ATOM 0 HA ALA A 26 57.008 -2.781 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.536 -2.567 -1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 26 55.144 -2.698 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.648 -1.115 -0.672 1.00 0.00 H new ATOM 395 N ASP A 27 56.184 0.310 -2.511 1.00 0.00 N ATOM 396 CA ASP A 27 56.120 1.221 -3.686 1.00 0.00 C ATOM 397 C ASP A 27 57.486 1.275 -4.374 1.00 0.00 C ATOM 398 O ASP A 27 57.579 1.273 -5.586 1.00 0.00 O ATOM 399 CB ASP A 27 55.730 2.623 -3.217 1.00 0.00 C ATOM 400 CG ASP A 27 54.205 2.740 -3.170 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.568 1.767 -2.806 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.702 3.802 -3.501 1.00 0.00 O ATOM 0 H ASP A 27 55.968 0.745 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 27 55.377 0.850 -4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.151 2.818 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.142 3.372 -3.893 1.00 0.00 H new ATOM 407 N VAL A 28 58.547 1.324 -3.615 1.00 0.00 N ATOM 408 CA VAL A 28 59.900 1.381 -4.234 1.00 0.00 C ATOM 409 C VAL A 28 60.065 0.205 -5.198 1.00 0.00 C ATOM 410 O VAL A 28 60.548 0.356 -6.303 1.00 0.00 O ATOM 411 CB VAL A 28 60.967 1.300 -3.141 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.349 1.185 -3.784 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.911 2.567 -2.286 1.00 0.00 C ATOM 0 H VAL A 28 58.535 1.327 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 28 60.013 2.318 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 28 60.783 0.426 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.109 1.127 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.391 0.286 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.534 2.060 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.670 2.513 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.097 3.438 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.926 2.654 -1.828 1.00 0.00 H new ATOM 423 N ALA A 29 59.666 -0.967 -4.788 1.00 0.00 N ATOM 424 CA ALA A 29 59.797 -2.154 -5.675 1.00 0.00 C ATOM 425 C ALA A 29 59.035 -1.911 -6.980 1.00 0.00 C ATOM 426 O ALA A 29 59.567 -2.073 -8.060 1.00 0.00 O ATOM 427 CB ALA A 29 59.218 -3.383 -4.971 1.00 0.00 C ATOM 0 H ALA A 29 59.254 -1.153 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 29 60.851 -2.322 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.314 -4.253 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.762 -3.561 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.165 -3.212 -4.747 1.00 0.00 H new ATOM 433 N LYS A 30 57.790 -1.529 -6.889 1.00 0.00 N ATOM 434 CA LYS A 30 56.994 -1.283 -8.127 1.00 0.00 C ATOM 435 C LYS A 30 57.522 -0.038 -8.844 1.00 0.00 C ATOM 436 O LYS A 30 57.119 0.270 -9.948 1.00 0.00 O ATOM 437 CB LYS A 30 55.526 -1.068 -7.753 1.00 0.00 C ATOM 438 CG LYS A 30 54.630 -1.600 -8.873 1.00 0.00 C ATOM 439 CD LYS A 30 54.499 -3.119 -8.746 1.00 0.00 C ATOM 440 CE LYS A 30 53.829 -3.680 -10.001 1.00 0.00 C ATOM 441 NZ LYS A 30 54.575 -4.884 -10.466 1.00 0.00 N ATOM 0 H LYS A 30 57.290 -1.377 -6.013 1.00 0.00 H new ATOM 0 HA LYS A 30 57.083 -2.145 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.299 -1.580 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.333 -0.008 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.646 -1.134 -8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 30 55.052 -1.341 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 55.483 -3.570 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.911 -3.371 -7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.793 -3.941 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 30 53.812 -2.924 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 54.120 -5.266 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 55.557 -4.621 -10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 54.569 -5.606 -9.718 1.00 0.00 H new ATOM 455 N LYS A 31 58.415 0.683 -8.225 1.00 0.00 N ATOM 456 CA LYS A 31 58.960 1.905 -8.866 1.00 0.00 C ATOM 457 C LYS A 31 60.266 1.573 -9.590 1.00 0.00 C ATOM 458 O LYS A 31 60.661 2.247 -10.521 1.00 0.00 O ATOM 459 CB LYS A 31 59.223 2.966 -7.797 1.00 0.00 C ATOM 460 CG LYS A 31 59.742 4.243 -8.460 1.00 0.00 C ATOM 461 CD LYS A 31 58.652 4.830 -9.358 1.00 0.00 C ATOM 462 CE LYS A 31 58.702 6.357 -9.286 1.00 0.00 C ATOM 463 NZ LYS A 31 59.377 6.890 -10.503 1.00 0.00 N ATOM 0 H LYS A 31 58.790 0.475 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 31 58.237 2.285 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.307 3.177 -7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 31 59.951 2.597 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 31 60.032 4.968 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 31 60.634 4.024 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.795 4.499 -10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.672 4.472 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.693 6.761 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 31 59.239 6.672 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 59.411 7.928 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.345 6.514 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 58.846 6.600 -11.349 1.00 0.00 H new ATOM 477 N TYR A 32 60.946 0.540 -9.169 1.00 0.00 N ATOM 478 CA TYR A 32 62.228 0.173 -9.833 1.00 0.00 C ATOM 479 C TYR A 32 62.126 -1.241 -10.408 1.00 0.00 C ATOM 480 O TYR A 32 63.089 -1.790 -10.903 1.00 0.00 O ATOM 481 CB TYR A 32 63.360 0.223 -8.808 1.00 0.00 C ATOM 482 CG TYR A 32 63.787 1.656 -8.596 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.891 2.577 -8.043 1.00 0.00 C ATOM 484 CD2 TYR A 32 65.079 2.064 -8.950 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.284 3.906 -7.843 1.00 0.00 C ATOM 486 CE2 TYR A 32 65.474 3.393 -8.751 1.00 0.00 C ATOM 487 CZ TYR A 32 64.576 4.314 -8.197 1.00 0.00 C ATOM 488 OH TYR A 32 64.966 5.624 -8.001 1.00 0.00 O ATOM 0 H TYR A 32 60.669 -0.064 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 32 62.431 0.876 -10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 32 63.030 -0.212 -7.865 1.00 0.00 H new ATOM 0 HB3 TYR A 32 64.205 -0.372 -9.155 1.00 0.00 H new ATOM 0 HD1 TYR A 32 61.895 2.263 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 32 65.771 1.353 -9.377 1.00 0.00 H new ATOM 0 HE1 TYR A 32 62.591 4.616 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 32 66.470 3.707 -9.025 1.00 0.00 H new ATOM 0 HH TYR A 32 65.476 5.692 -7.167 1.00 0.00 H new ATOM 498 N ALA A 33 60.968 -1.836 -10.346 1.00 0.00 N ATOM 499 CA ALA A 33 60.809 -3.214 -10.889 1.00 0.00 C ATOM 500 C ALA A 33 60.996 -3.188 -12.408 1.00 0.00 C ATOM 501 O ALA A 33 61.397 -4.165 -13.011 1.00 0.00 O ATOM 502 CB ALA A 33 59.409 -3.736 -10.557 1.00 0.00 C ATOM 0 H ALA A 33 60.125 -1.428 -9.943 1.00 0.00 H new ATOM 0 HA ALA A 33 61.556 -3.869 -10.441 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.293 -4.744 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.275 -3.755 -9.475 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.661 -3.081 -11.004 1.00 0.00 H new ATOM 508 N GLY A 34 60.707 -2.079 -13.032 1.00 0.00 N ATOM 509 CA GLY A 34 60.865 -1.992 -14.513 1.00 0.00 C ATOM 510 C GLY A 34 62.347 -2.081 -14.883 1.00 0.00 C ATOM 511 O GLY A 34 62.700 -2.177 -16.041 1.00 0.00 O ATOM 0 H GLY A 34 60.368 -1.229 -12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.312 -2.798 -14.995 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.445 -1.055 -14.878 1.00 0.00 H new ATOM 515 N ARG A 35 63.219 -2.050 -13.912 1.00 0.00 N ATOM 516 CA ARG A 35 64.674 -2.133 -14.221 1.00 0.00 C ATOM 517 C ARG A 35 65.112 -3.598 -14.228 1.00 0.00 C ATOM 518 O ARG A 35 64.389 -4.476 -13.798 1.00 0.00 O ATOM 519 CB ARG A 35 65.472 -1.368 -13.163 1.00 0.00 C ATOM 520 CG ARG A 35 66.805 -0.915 -13.763 1.00 0.00 C ATOM 521 CD ARG A 35 66.964 0.594 -13.576 1.00 0.00 C ATOM 522 NE ARG A 35 68.309 1.015 -14.063 1.00 0.00 N ATOM 523 CZ ARG A 35 68.680 2.265 -13.968 1.00 0.00 C ATOM 524 NH1 ARG A 35 67.875 3.151 -13.446 1.00 0.00 N ATOM 525 NH2 ARG A 35 69.859 2.628 -14.395 1.00 0.00 N ATOM 0 H ARG A 35 62.987 -1.971 -12.922 1.00 0.00 H new ATOM 0 HA ARG A 35 64.859 -1.692 -15.201 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.904 -0.505 -12.817 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.648 -2.003 -12.295 1.00 0.00 H new ATOM 0 HG2 ARG A 35 67.630 -1.440 -13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 35 66.843 -1.166 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 35 66.185 1.123 -14.124 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.848 0.855 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 35 68.941 0.326 -14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 35 66.954 2.868 -13.111 1.00 0.00 H new ATOM 0 HH12 ARG A 35 68.167 4.125 -13.373 1.00 0.00 H new ATOM 0 HH21 ARG A 35 70.489 1.937 -14.802 1.00 0.00 H new ATOM 0 HH22 ARG A 35 70.150 3.603 -14.322 1.00 0.00 H new ATOM 539 N LYS A 36 66.290 -3.869 -14.716 1.00 0.00 N ATOM 540 CA LYS A 36 66.775 -5.277 -14.753 1.00 0.00 C ATOM 541 C LYS A 36 67.788 -5.498 -13.628 1.00 0.00 C ATOM 542 O LYS A 36 67.909 -6.581 -13.092 1.00 0.00 O ATOM 543 CB LYS A 36 67.443 -5.549 -16.104 1.00 0.00 C ATOM 544 CG LYS A 36 66.407 -6.107 -17.082 1.00 0.00 C ATOM 545 CD LYS A 36 66.541 -5.394 -18.429 1.00 0.00 C ATOM 546 CE LYS A 36 65.198 -4.767 -18.811 1.00 0.00 C ATOM 547 NZ LYS A 36 64.817 -3.748 -17.792 1.00 0.00 N ATOM 0 H LYS A 36 66.938 -3.176 -15.091 1.00 0.00 H new ATOM 0 HA LYS A 36 65.933 -5.956 -14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.875 -4.630 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 36 68.262 -6.258 -15.981 1.00 0.00 H new ATOM 0 HG2 LYS A 36 66.553 -7.180 -17.210 1.00 0.00 H new ATOM 0 HG3 LYS A 36 65.402 -5.967 -16.683 1.00 0.00 H new ATOM 0 HD2 LYS A 36 67.310 -4.624 -18.370 1.00 0.00 H new ATOM 0 HD3 LYS A 36 66.856 -6.101 -19.197 1.00 0.00 H new ATOM 0 HE2 LYS A 36 65.268 -4.304 -19.795 1.00 0.00 H new ATOM 0 HE3 LYS A 36 64.430 -5.538 -18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 64.293 -2.976 -18.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 64.217 -4.190 -17.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 65.675 -3.366 -17.346 1.00 0.00 H new ATOM 561 N ASP A 37 68.516 -4.478 -13.265 1.00 0.00 N ATOM 562 CA ASP A 37 69.520 -4.630 -12.172 1.00 0.00 C ATOM 563 C ASP A 37 69.197 -3.651 -11.042 1.00 0.00 C ATOM 564 O ASP A 37 70.071 -3.003 -10.500 1.00 0.00 O ATOM 565 CB ASP A 37 70.917 -4.335 -12.719 1.00 0.00 C ATOM 566 CG ASP A 37 70.932 -2.944 -13.356 1.00 0.00 C ATOM 567 OD1 ASP A 37 69.991 -2.201 -13.128 1.00 0.00 O ATOM 568 OD2 ASP A 37 71.882 -2.645 -14.060 1.00 0.00 O ATOM 0 H ASP A 37 68.460 -3.547 -13.677 1.00 0.00 H new ATOM 0 HA ASP A 37 69.488 -5.650 -11.788 1.00 0.00 H new ATOM 0 HB2 ASP A 37 71.652 -4.387 -11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 37 71.197 -5.087 -13.456 1.00 0.00 H new ATOM 573 N ALA A 38 67.949 -3.540 -10.680 1.00 0.00 N ATOM 574 CA ALA A 38 67.570 -2.604 -9.585 1.00 0.00 C ATOM 575 C ALA A 38 68.150 -3.105 -8.261 1.00 0.00 C ATOM 576 O ALA A 38 68.141 -2.409 -7.265 1.00 0.00 O ATOM 577 CB ALA A 38 66.045 -2.532 -9.481 1.00 0.00 C ATOM 0 H ALA A 38 67.175 -4.058 -11.096 1.00 0.00 H new ATOM 0 HA ALA A 38 67.966 -1.612 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.767 -1.847 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.633 -2.174 -10.424 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.648 -3.524 -9.265 1.00 0.00 H new ATOM 583 N VAL A 39 68.658 -4.308 -8.242 1.00 0.00 N ATOM 584 CA VAL A 39 69.243 -4.855 -6.984 1.00 0.00 C ATOM 585 C VAL A 39 70.548 -4.123 -6.671 1.00 0.00 C ATOM 586 O VAL A 39 70.691 -3.499 -5.638 1.00 0.00 O ATOM 587 CB VAL A 39 69.525 -6.348 -7.163 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.221 -6.893 -5.914 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.207 -7.094 -7.378 1.00 0.00 C ATOM 0 H VAL A 39 68.693 -4.936 -9.045 1.00 0.00 H new ATOM 0 HA VAL A 39 68.541 -4.713 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 39 70.171 -6.492 -8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.421 -7.957 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.161 -6.363 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.577 -6.748 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.408 -8.158 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.561 -6.948 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.712 -6.709 -8.269 1.00 0.00 H new ATOM 599 N ASP A 40 71.503 -4.191 -7.558 1.00 0.00 N ATOM 600 CA ASP A 40 72.797 -3.497 -7.316 1.00 0.00 C ATOM 601 C ASP A 40 72.571 -1.985 -7.338 1.00 0.00 C ATOM 602 O ASP A 40 72.971 -1.273 -6.437 1.00 0.00 O ATOM 603 CB ASP A 40 73.795 -3.879 -8.410 1.00 0.00 C ATOM 604 CG ASP A 40 74.208 -5.341 -8.237 1.00 0.00 C ATOM 605 OD1 ASP A 40 73.358 -6.200 -8.401 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.367 -5.577 -7.941 1.00 0.00 O ATOM 0 H ASP A 40 71.442 -4.698 -8.441 1.00 0.00 H new ATOM 0 HA ASP A 40 73.194 -3.794 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.348 -3.730 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.672 -3.234 -8.358 1.00 0.00 H new ATOM 611 N TYR A 41 71.930 -1.486 -8.360 1.00 0.00 N ATOM 612 CA TYR A 41 71.676 -0.021 -8.433 1.00 0.00 C ATOM 613 C TYR A 41 71.088 0.452 -7.105 1.00 0.00 C ATOM 614 O TYR A 41 71.483 1.466 -6.564 1.00 0.00 O ATOM 615 CB TYR A 41 70.690 0.273 -9.564 1.00 0.00 C ATOM 616 CG TYR A 41 70.566 1.766 -9.746 1.00 0.00 C ATOM 617 CD1 TYR A 41 71.677 2.514 -10.153 1.00 0.00 C ATOM 618 CD2 TYR A 41 69.343 2.402 -9.506 1.00 0.00 C ATOM 619 CE1 TYR A 41 71.563 3.900 -10.322 1.00 0.00 C ATOM 620 CE2 TYR A 41 69.229 3.787 -9.675 1.00 0.00 C ATOM 621 CZ TYR A 41 70.340 4.536 -10.082 1.00 0.00 C ATOM 622 OH TYR A 41 70.229 5.901 -10.248 1.00 0.00 O ATOM 0 H TYR A 41 71.572 -2.029 -9.146 1.00 0.00 H new ATOM 0 HA TYR A 41 72.611 0.504 -8.628 1.00 0.00 H new ATOM 0 HB2 TYR A 41 71.033 -0.190 -10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.716 -0.158 -9.333 1.00 0.00 H new ATOM 0 HD1 TYR A 41 72.621 2.023 -10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 41 68.487 1.824 -9.190 1.00 0.00 H new ATOM 0 HE1 TYR A 41 72.419 4.478 -10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 41 68.285 4.278 -9.492 1.00 0.00 H new ATOM 0 HH TYR A 41 69.313 6.182 -10.042 1.00 0.00 H new ATOM 632 N LEU A 42 70.149 -0.280 -6.569 1.00 0.00 N ATOM 633 CA LEU A 42 69.543 0.123 -5.271 1.00 0.00 C ATOM 634 C LEU A 42 70.648 0.254 -4.226 1.00 0.00 C ATOM 635 O LEU A 42 70.751 1.247 -3.535 1.00 0.00 O ATOM 636 CB LEU A 42 68.540 -0.941 -4.822 1.00 0.00 C ATOM 637 CG LEU A 42 67.199 -0.703 -5.516 1.00 0.00 C ATOM 638 CD1 LEU A 42 66.306 -1.932 -5.335 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.516 0.519 -4.898 1.00 0.00 C ATOM 0 H LEU A 42 69.777 -1.139 -6.975 1.00 0.00 H new ATOM 0 HA LEU A 42 69.028 1.077 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.915 -1.935 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.413 -0.903 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 42 67.365 -0.528 -6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.350 -1.763 -5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.793 -2.803 -5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 66.139 -2.107 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.560 0.690 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 42 66.349 0.344 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 42 67.152 1.395 -5.026 1.00 0.00 H new ATOM 651 N ALA A 43 71.477 -0.743 -4.111 1.00 0.00 N ATOM 652 CA ALA A 43 72.584 -0.686 -3.115 1.00 0.00 C ATOM 653 C ALA A 43 73.349 0.627 -3.284 1.00 0.00 C ATOM 654 O ALA A 43 73.802 1.220 -2.324 1.00 0.00 O ATOM 655 CB ALA A 43 73.536 -1.863 -3.344 1.00 0.00 C ATOM 0 H ALA A 43 71.437 -1.599 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 43 72.172 -0.742 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 43 74.346 -1.823 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.991 -2.800 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.950 -1.806 -4.351 1.00 0.00 H new ATOM 661 N GLY A 44 73.498 1.086 -4.497 1.00 0.00 N ATOM 662 CA GLY A 44 74.233 2.363 -4.724 1.00 0.00 C ATOM 663 C GLY A 44 73.426 3.525 -4.145 1.00 0.00 C ATOM 664 O GLY A 44 73.966 4.423 -3.530 1.00 0.00 O ATOM 0 H GLY A 44 73.143 0.633 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 44 75.215 2.318 -4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.397 2.516 -5.791 1.00 0.00 H new ATOM 668 N LYS A 45 72.134 3.516 -4.334 1.00 0.00 N ATOM 669 CA LYS A 45 71.292 4.619 -3.791 1.00 0.00 C ATOM 670 C LYS A 45 70.853 4.270 -2.365 1.00 0.00 C ATOM 671 O LYS A 45 70.057 4.961 -1.763 1.00 0.00 O ATOM 672 CB LYS A 45 70.059 4.802 -4.678 1.00 0.00 C ATOM 673 CG LYS A 45 69.794 6.295 -4.883 1.00 0.00 C ATOM 674 CD LYS A 45 69.190 6.524 -6.271 1.00 0.00 C ATOM 675 CE LYS A 45 68.589 7.928 -6.339 1.00 0.00 C ATOM 676 NZ LYS A 45 68.107 8.197 -7.724 1.00 0.00 N ATOM 0 H LYS A 45 71.626 2.792 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 45 71.867 5.545 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.215 4.314 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.193 4.328 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 45 69.114 6.663 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.723 6.857 -4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.957 6.407 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 45 68.422 5.778 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 45 67.764 8.016 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 45 69.335 8.669 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 67.698 9.152 -7.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 68.904 8.129 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 67.382 7.497 -7.981 1.00 0.00 H new ATOM 690 N ILE A 46 71.371 3.202 -1.820 1.00 0.00 N ATOM 691 CA ILE A 46 70.990 2.808 -0.435 1.00 0.00 C ATOM 692 C ILE A 46 72.112 3.212 0.525 1.00 0.00 C ATOM 693 O ILE A 46 71.912 3.991 1.437 1.00 0.00 O ATOM 694 CB ILE A 46 70.776 1.291 -0.379 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.408 0.948 -0.976 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.827 0.809 1.073 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.234 -0.570 -1.016 1.00 0.00 C ATOM 0 H ILE A 46 72.043 2.585 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 46 70.067 3.310 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 46 71.563 0.798 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.616 1.400 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.325 1.361 -1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.674 -0.270 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.799 1.050 1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.044 1.303 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.260 -0.814 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.019 -1.010 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.299 -0.970 -0.004 1.00 0.00 H new ATOM 709 N LYS A 47 73.291 2.692 0.324 1.00 0.00 N ATOM 710 CA LYS A 47 74.425 3.050 1.221 1.00 0.00 C ATOM 711 C LYS A 47 74.823 4.506 0.974 1.00 0.00 C ATOM 712 O LYS A 47 75.528 5.110 1.759 1.00 0.00 O ATOM 713 CB LYS A 47 75.618 2.138 0.924 1.00 0.00 C ATOM 714 CG LYS A 47 76.552 2.109 2.136 1.00 0.00 C ATOM 715 CD LYS A 47 77.956 2.540 1.711 1.00 0.00 C ATOM 716 CE LYS A 47 78.989 1.583 2.309 1.00 0.00 C ATOM 717 NZ LYS A 47 79.518 2.154 3.579 1.00 0.00 N ATOM 0 H LYS A 47 73.518 2.035 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 47 74.123 2.924 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.271 1.130 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.155 2.498 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.176 2.774 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.582 1.106 2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.033 2.542 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.152 3.559 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.534 0.611 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.804 1.423 1.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.220 1.504 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.967 3.072 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 78.737 2.285 4.253 1.00 0.00 H new ATOM 731 N LYS A 48 74.375 5.073 -0.113 1.00 0.00 N ATOM 732 CA LYS A 48 74.724 6.488 -0.417 1.00 0.00 C ATOM 733 C LYS A 48 73.592 7.404 0.053 1.00 0.00 C ATOM 734 O LYS A 48 73.813 8.539 0.425 1.00 0.00 O ATOM 735 CB LYS A 48 74.917 6.648 -1.927 1.00 0.00 C ATOM 736 CG LYS A 48 75.689 7.937 -2.211 1.00 0.00 C ATOM 737 CD LYS A 48 77.188 7.634 -2.263 1.00 0.00 C ATOM 738 CE LYS A 48 77.750 8.072 -3.618 1.00 0.00 C ATOM 739 NZ LYS A 48 79.233 8.190 -3.527 1.00 0.00 N ATOM 0 H LYS A 48 73.781 4.615 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 48 75.646 6.757 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.459 5.791 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 48 73.949 6.674 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 48 75.362 8.369 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 48 75.483 8.675 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.704 8.156 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.360 6.568 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 48 77.479 7.349 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.316 9.028 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 79.615 8.488 -4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.481 8.896 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 79.639 7.269 -3.265 1.00 0.00 H new ATOM 753 N GLY A 49 72.380 6.921 0.039 1.00 0.00 N ATOM 754 CA GLY A 49 71.236 7.768 0.487 1.00 0.00 C ATOM 755 C GLY A 49 70.998 8.887 -0.530 1.00 0.00 C ATOM 756 O GLY A 49 71.416 8.804 -1.668 1.00 0.00 O ATOM 0 H GLY A 49 72.132 5.979 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.338 7.159 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.447 8.193 1.468 1.00 0.00 H new ATOM 760 N GLY A 50 70.331 9.935 -0.127 1.00 0.00 N ATOM 761 CA GLY A 50 70.068 11.060 -1.071 1.00 0.00 C ATOM 762 C GLY A 50 68.571 11.367 -1.097 1.00 0.00 C ATOM 763 O GLY A 50 67.844 11.045 -0.178 1.00 0.00 O ATOM 0 H GLY A 50 69.957 10.061 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 50 70.626 11.944 -0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 50 70.413 10.797 -2.071 1.00 0.00 H new ATOM 767 N SER A 51 68.100 11.989 -2.145 1.00 0.00 N ATOM 768 CA SER A 51 66.650 12.314 -2.230 1.00 0.00 C ATOM 769 C SER A 51 66.364 13.041 -3.546 1.00 0.00 C ATOM 770 O SER A 51 67.210 13.729 -4.083 1.00 0.00 O ATOM 771 CB SER A 51 66.259 13.211 -1.055 1.00 0.00 C ATOM 772 OG SER A 51 66.686 14.540 -1.317 1.00 0.00 O ATOM 0 H SER A 51 68.659 12.285 -2.945 1.00 0.00 H new ATOM 0 HA SER A 51 66.069 11.392 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 51 65.179 13.186 -0.907 1.00 0.00 H new ATOM 0 HB3 SER A 51 66.715 12.845 -0.135 1.00 0.00 H new ATOM 0 HG SER A 51 66.261 15.152 -0.680 1.00 0.00 H new ATOM 778 N GLY A 52 65.178 12.894 -4.069 1.00 0.00 N ATOM 779 CA GLY A 52 64.836 13.575 -5.351 1.00 0.00 C ATOM 780 C GLY A 52 63.845 12.714 -6.136 1.00 0.00 C ATOM 781 O GLY A 52 63.020 13.214 -6.874 1.00 0.00 O ATOM 0 H GLY A 52 64.430 12.331 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 64.404 14.555 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 65.738 13.739 -5.940 1.00 0.00 H new ATOM 785 N VAL A 53 63.918 11.420 -5.979 1.00 0.00 N ATOM 786 CA VAL A 53 62.978 10.525 -6.713 1.00 0.00 C ATOM 787 C VAL A 53 61.740 10.275 -5.853 1.00 0.00 C ATOM 788 O VAL A 53 60.684 9.937 -6.351 1.00 0.00 O ATOM 789 CB VAL A 53 63.672 9.194 -7.009 1.00 0.00 C ATOM 790 CG1 VAL A 53 62.655 8.199 -7.573 1.00 0.00 C ATOM 791 CG2 VAL A 53 64.786 9.419 -8.030 1.00 0.00 C ATOM 0 H VAL A 53 64.588 10.944 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 53 62.680 10.996 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 53 64.097 8.793 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.151 7.251 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 53 61.860 8.039 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 53 62.228 8.597 -8.494 1.00 0.00 H new ATOM 0 HG21 VAL A 53 65.282 8.472 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 53 64.361 9.820 -8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 53 65.511 10.126 -7.627 1.00 0.00 H new ATOM 801 N TRP A 54 61.862 10.438 -4.565 1.00 0.00 N ATOM 802 CA TRP A 54 60.693 10.209 -3.671 1.00 0.00 C ATOM 803 C TRP A 54 60.432 11.469 -2.843 1.00 0.00 C ATOM 804 O TRP A 54 59.748 11.434 -1.840 1.00 0.00 O ATOM 805 CB TRP A 54 60.991 9.034 -2.738 1.00 0.00 C ATOM 806 CG TRP A 54 61.117 7.780 -3.544 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.285 7.245 -3.971 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.062 6.899 -4.028 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.014 6.091 -4.684 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.659 5.835 -4.748 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.660 6.917 -3.915 1.00 0.00 C ATOM 812 CZ2 TRP A 54 59.891 4.827 -5.333 1.00 0.00 C ATOM 813 CZ3 TRP A 54 57.885 5.904 -4.503 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.500 4.862 -5.211 1.00 0.00 C ATOM 0 H TRP A 54 62.721 10.720 -4.093 1.00 0.00 H new ATOM 0 HA TRP A 54 59.812 9.981 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 54 61.912 9.219 -2.185 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.194 8.928 -2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.268 7.653 -3.785 1.00 0.00 H new ATOM 0 HE1 TRP A 54 62.728 5.501 -5.111 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.176 7.715 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.369 4.025 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 56.809 5.928 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 54 57.898 4.087 -5.662 1.00 0.00 H new ATOM 825 N GLY A 55 60.973 12.583 -3.256 1.00 0.00 N ATOM 826 CA GLY A 55 60.757 13.847 -2.494 1.00 0.00 C ATOM 827 C GLY A 55 62.107 14.483 -2.164 1.00 0.00 C ATOM 828 O GLY A 55 63.141 14.048 -2.634 1.00 0.00 O ATOM 0 H GLY A 55 61.556 12.673 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.152 14.538 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.207 13.641 -1.576 1.00 0.00 H new ATOM 832 N SER A 56 62.109 15.510 -1.359 1.00 0.00 N ATOM 833 CA SER A 56 63.394 16.173 -1.001 1.00 0.00 C ATOM 834 C SER A 56 63.947 15.551 0.283 1.00 0.00 C ATOM 835 O SER A 56 65.094 15.748 0.634 1.00 0.00 O ATOM 836 CB SER A 56 63.152 17.666 -0.781 1.00 0.00 C ATOM 837 OG SER A 56 63.740 18.399 -1.847 1.00 0.00 O ATOM 0 H SER A 56 61.276 15.918 -0.934 1.00 0.00 H new ATOM 0 HA SER A 56 64.112 16.037 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 56 62.082 17.869 -0.731 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.581 17.979 0.171 1.00 0.00 H new ATOM 0 HG SER A 56 63.585 19.357 -1.710 1.00 0.00 H new ATOM 843 N VAL A 57 63.141 14.801 0.987 1.00 0.00 N ATOM 844 CA VAL A 57 63.623 14.167 2.248 1.00 0.00 C ATOM 845 C VAL A 57 65.025 13.586 2.017 1.00 0.00 C ATOM 846 O VAL A 57 65.172 12.590 1.338 1.00 0.00 O ATOM 847 CB VAL A 57 62.667 13.041 2.648 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.023 12.541 4.049 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.232 13.572 2.647 1.00 0.00 C ATOM 0 H VAL A 57 62.171 14.600 0.743 1.00 0.00 H new ATOM 0 HA VAL A 57 63.660 14.912 3.042 1.00 0.00 H new ATOM 0 HB VAL A 57 62.754 12.219 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.342 11.739 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.046 12.166 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 57 62.935 13.361 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.548 12.772 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.147 14.393 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 57 60.977 13.930 1.649 1.00 0.00 H new ATOM 859 N PRO A 58 66.016 14.230 2.584 1.00 0.00 N ATOM 860 CA PRO A 58 67.420 13.800 2.449 1.00 0.00 C ATOM 861 C PRO A 58 67.710 12.609 3.366 1.00 0.00 C ATOM 862 O PRO A 58 67.979 12.768 4.540 1.00 0.00 O ATOM 863 CB PRO A 58 68.218 15.032 2.887 1.00 0.00 C ATOM 864 CG PRO A 58 67.266 15.877 3.768 1.00 0.00 C ATOM 865 CD PRO A 58 65.834 15.442 3.411 1.00 0.00 C ATOM 0 HA PRO A 58 67.670 13.472 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.108 14.740 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.557 15.603 2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.469 15.712 4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.406 16.941 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.248 15.229 4.305 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.306 16.222 2.863 1.00 0.00 H new ATOM 873 N MET A 59 67.662 11.415 2.840 1.00 0.00 N ATOM 874 CA MET A 59 67.940 10.222 3.685 1.00 0.00 C ATOM 875 C MET A 59 69.446 10.145 3.962 1.00 0.00 C ATOM 876 O MET A 59 70.245 10.307 3.060 1.00 0.00 O ATOM 877 CB MET A 59 67.489 8.956 2.952 1.00 0.00 C ATOM 878 CG MET A 59 68.014 7.717 3.683 1.00 0.00 C ATOM 879 SD MET A 59 67.867 6.269 2.606 1.00 0.00 S ATOM 880 CE MET A 59 69.524 5.603 2.895 1.00 0.00 C ATOM 0 H MET A 59 67.443 11.216 1.864 1.00 0.00 H new ATOM 0 HA MET A 59 67.396 10.304 4.626 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.401 8.924 2.899 1.00 0.00 H new ATOM 0 HB3 MET A 59 67.858 8.968 1.926 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.055 7.865 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.450 7.558 4.602 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.727 4.808 2.177 1.00 0.00 H new ATOM 0 HE2 MET A 59 70.261 6.397 2.775 1.00 0.00 H new ATOM 0 HE3 MET A 59 69.584 5.202 3.907 1.00 0.00 H new ATOM 890 N PRO A 60 69.791 9.901 5.201 1.00 0.00 N ATOM 891 CA PRO A 60 71.196 9.800 5.626 1.00 0.00 C ATOM 892 C PRO A 60 71.766 8.423 5.269 1.00 0.00 C ATOM 893 O PRO A 60 71.032 7.461 5.150 1.00 0.00 O ATOM 894 CB PRO A 60 71.124 9.982 7.144 1.00 0.00 C ATOM 895 CG PRO A 60 69.681 9.607 7.561 1.00 0.00 C ATOM 896 CD PRO A 60 68.815 9.708 6.292 1.00 0.00 C ATOM 0 HA PRO A 60 71.844 10.531 5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.852 9.345 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.354 11.010 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.647 8.599 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.314 10.281 8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.223 8.805 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.116 10.542 6.353 1.00 0.00 H new ATOM 904 N PRO A 61 73.064 8.371 5.113 1.00 0.00 N ATOM 905 CA PRO A 61 73.776 7.126 4.775 1.00 0.00 C ATOM 906 C PRO A 61 73.927 6.252 6.023 1.00 0.00 C ATOM 907 O PRO A 61 74.249 6.731 7.092 1.00 0.00 O ATOM 908 CB PRO A 61 75.139 7.616 4.279 1.00 0.00 C ATOM 909 CG PRO A 61 75.342 9.026 4.883 1.00 0.00 C ATOM 910 CD PRO A 61 73.944 9.550 5.260 1.00 0.00 C ATOM 0 HA PRO A 61 73.257 6.516 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.933 6.940 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.166 7.652 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.989 8.982 5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.823 9.689 4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.925 9.937 6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.633 10.363 4.604 1.00 0.00 H new ATOM 918 N GLN A 62 73.693 4.975 5.898 1.00 0.00 N ATOM 919 CA GLN A 62 73.818 4.077 7.080 1.00 0.00 C ATOM 920 C GLN A 62 75.159 3.343 7.028 1.00 0.00 C ATOM 921 O GLN A 62 76.065 3.732 6.319 1.00 0.00 O ATOM 922 CB GLN A 62 72.679 3.056 7.060 1.00 0.00 C ATOM 923 CG GLN A 62 71.420 3.704 6.480 1.00 0.00 C ATOM 924 CD GLN A 62 70.936 4.812 7.416 1.00 0.00 C ATOM 925 OE1 GLN A 62 71.366 4.899 8.550 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.052 5.671 6.986 1.00 0.00 N ATOM 0 H GLN A 62 73.421 4.515 5.029 1.00 0.00 H new ATOM 0 HA GLN A 62 73.766 4.669 7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.963 2.190 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.483 2.695 8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.632 4.115 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.639 2.955 6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.691 5.598 6.035 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.722 6.415 7.601 1.00 0.00 H new ATOM 935 N ASN A 63 75.291 2.282 7.776 1.00 0.00 N ATOM 936 CA ASN A 63 76.570 1.518 7.770 1.00 0.00 C ATOM 937 C ASN A 63 76.308 0.100 7.259 1.00 0.00 C ATOM 938 O ASN A 63 76.442 -0.867 7.981 1.00 0.00 O ATOM 939 CB ASN A 63 77.135 1.450 9.191 1.00 0.00 C ATOM 940 CG ASN A 63 78.591 0.985 9.137 1.00 0.00 C ATOM 941 OD1 ASN A 63 78.958 0.021 9.779 1.00 0.00 O ATOM 942 ND2 ASN A 63 79.443 1.635 8.392 1.00 0.00 N ATOM 0 H ASN A 63 74.567 1.911 8.392 1.00 0.00 H new ATOM 0 HA ASN A 63 77.288 2.017 7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 63 77.072 2.429 9.667 1.00 0.00 H new ATOM 0 HB3 ASN A 63 76.544 0.763 9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 63 80.417 1.334 8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 63 79.135 2.444 7.853 1.00 0.00 H new ATOM 949 N VAL A 64 75.933 -0.030 6.015 1.00 0.00 N ATOM 950 CA VAL A 64 75.660 -1.383 5.455 1.00 0.00 C ATOM 951 C VAL A 64 76.732 -1.729 4.420 1.00 0.00 C ATOM 952 O VAL A 64 77.301 -0.861 3.788 1.00 0.00 O ATOM 953 CB VAL A 64 74.286 -1.389 4.784 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.194 -1.315 5.853 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.169 -0.179 3.855 1.00 0.00 C ATOM 0 H VAL A 64 75.804 0.743 5.363 1.00 0.00 H new ATOM 0 HA VAL A 64 75.676 -2.120 6.258 1.00 0.00 H new ATOM 0 HB VAL A 64 74.168 -2.306 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.215 -1.319 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.277 -2.175 6.518 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.311 -0.398 6.430 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.190 -0.182 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.287 0.737 4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.946 -0.229 3.093 1.00 0.00 H new ATOM 965 N THR A 65 77.011 -2.990 4.240 1.00 0.00 N ATOM 966 CA THR A 65 78.045 -3.386 3.243 1.00 0.00 C ATOM 967 C THR A 65 77.360 -3.758 1.928 1.00 0.00 C ATOM 968 O THR A 65 76.161 -3.628 1.784 1.00 0.00 O ATOM 969 CB THR A 65 78.828 -4.589 3.770 1.00 0.00 C ATOM 970 OG1 THR A 65 78.073 -5.239 4.783 1.00 0.00 O ATOM 971 CG2 THR A 65 80.163 -4.117 4.349 1.00 0.00 C ATOM 0 H THR A 65 76.569 -3.762 4.739 1.00 0.00 H new ATOM 0 HA THR A 65 78.730 -2.555 3.076 1.00 0.00 H new ATOM 0 HB THR A 65 79.015 -5.286 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.574 -6.011 5.120 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.720 -4.975 4.724 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.742 -3.621 3.570 1.00 0.00 H new ATOM 0 HG23 THR A 65 79.979 -3.419 5.165 1.00 0.00 H new ATOM 979 N ASP A 66 78.107 -4.220 0.965 1.00 0.00 N ATOM 980 CA ASP A 66 77.493 -4.598 -0.334 1.00 0.00 C ATOM 981 C ASP A 66 76.604 -5.827 -0.140 1.00 0.00 C ATOM 982 O ASP A 66 75.525 -5.919 -0.689 1.00 0.00 O ATOM 983 CB ASP A 66 78.597 -4.916 -1.346 1.00 0.00 C ATOM 984 CG ASP A 66 77.980 -5.545 -2.596 1.00 0.00 C ATOM 985 OD1 ASP A 66 77.627 -6.712 -2.536 1.00 0.00 O ATOM 986 OD2 ASP A 66 77.871 -4.850 -3.593 1.00 0.00 O ATOM 0 H ASP A 66 79.117 -4.352 1.023 1.00 0.00 H new ATOM 0 HA ASP A 66 76.889 -3.771 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.134 -4.006 -1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 66 79.324 -5.598 -0.904 1.00 0.00 H new ATOM 991 N ALA A 67 77.051 -6.775 0.638 1.00 0.00 N ATOM 992 CA ALA A 67 76.234 -7.999 0.868 1.00 0.00 C ATOM 993 C ALA A 67 74.928 -7.621 1.572 1.00 0.00 C ATOM 994 O ALA A 67 73.873 -8.136 1.260 1.00 0.00 O ATOM 995 CB ALA A 67 77.018 -8.975 1.747 1.00 0.00 C ATOM 0 H ALA A 67 77.947 -6.754 1.124 1.00 0.00 H new ATOM 0 HA ALA A 67 76.008 -8.468 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.422 -9.872 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.948 -9.247 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 67 77.243 -8.503 2.703 1.00 0.00 H new ATOM 1001 N GLU A 68 74.991 -6.733 2.526 1.00 0.00 N ATOM 1002 CA GLU A 68 73.757 -6.333 3.253 1.00 0.00 C ATOM 1003 C GLU A 68 72.810 -5.596 2.307 1.00 0.00 C ATOM 1004 O GLU A 68 71.623 -5.848 2.282 1.00 0.00 O ATOM 1005 CB GLU A 68 74.128 -5.418 4.422 1.00 0.00 C ATOM 1006 CG GLU A 68 74.455 -6.266 5.652 1.00 0.00 C ATOM 1007 CD GLU A 68 74.850 -5.352 6.814 1.00 0.00 C ATOM 1008 OE1 GLU A 68 75.071 -4.177 6.567 1.00 0.00 O ATOM 1009 OE2 GLU A 68 74.923 -5.841 7.928 1.00 0.00 O ATOM 0 H GLU A 68 75.845 -6.268 2.832 1.00 0.00 H new ATOM 0 HA GLU A 68 73.259 -7.226 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.985 -4.800 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.303 -4.741 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.592 -6.871 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.268 -6.955 5.425 1.00 0.00 H new ATOM 1016 N ALA A 69 73.324 -4.688 1.527 1.00 0.00 N ATOM 1017 CA ALA A 69 72.446 -3.941 0.585 1.00 0.00 C ATOM 1018 C ALA A 69 71.868 -4.915 -0.442 1.00 0.00 C ATOM 1019 O ALA A 69 70.805 -4.700 -0.988 1.00 0.00 O ATOM 1020 CB ALA A 69 73.263 -2.864 -0.131 1.00 0.00 C ATOM 0 H ALA A 69 74.311 -4.431 1.501 1.00 0.00 H new ATOM 0 HA ALA A 69 71.634 -3.468 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.620 -2.318 -0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.677 -2.173 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.075 -3.333 -0.687 1.00 0.00 H new ATOM 1026 N LYS A 70 72.561 -5.989 -0.707 1.00 0.00 N ATOM 1027 CA LYS A 70 72.057 -6.979 -1.695 1.00 0.00 C ATOM 1028 C LYS A 70 70.800 -7.659 -1.148 1.00 0.00 C ATOM 1029 O LYS A 70 69.790 -7.738 -1.814 1.00 0.00 O ATOM 1030 CB LYS A 70 73.132 -8.036 -1.956 1.00 0.00 C ATOM 1031 CG LYS A 70 73.988 -7.610 -3.150 1.00 0.00 C ATOM 1032 CD LYS A 70 73.869 -8.656 -4.261 1.00 0.00 C ATOM 1033 CE LYS A 70 74.466 -8.098 -5.555 1.00 0.00 C ATOM 1034 NZ LYS A 70 74.430 -9.148 -6.613 1.00 0.00 N ATOM 0 H LYS A 70 73.457 -6.222 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 70 71.816 -6.466 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.758 -8.159 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.667 -9.002 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 70 73.662 -6.636 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 70 75.029 -7.504 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.389 -9.569 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 70 72.823 -8.920 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 70 73.905 -7.221 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 70 75.493 -7.774 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 74.836 -8.769 -7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 74.984 -9.972 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 73.445 -9.437 -6.782 1.00 0.00 H new ATOM 1048 N GLN A 71 70.855 -8.153 0.058 1.00 0.00 N ATOM 1049 CA GLN A 71 69.665 -8.830 0.642 1.00 0.00 C ATOM 1050 C GLN A 71 68.584 -7.789 0.941 1.00 0.00 C ATOM 1051 O GLN A 71 67.422 -8.113 1.085 1.00 0.00 O ATOM 1052 CB GLN A 71 70.086 -9.559 1.929 1.00 0.00 C ATOM 1053 CG GLN A 71 68.893 -9.706 2.881 1.00 0.00 C ATOM 1054 CD GLN A 71 68.875 -8.525 3.853 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.841 -8.281 4.549 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.811 -7.774 3.930 1.00 0.00 N ATOM 0 H GLN A 71 71.674 -8.117 0.665 1.00 0.00 H new ATOM 0 HA GLN A 71 69.261 -9.558 -0.062 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.485 -10.543 1.682 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.885 -9.006 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.963 -9.740 2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.965 -10.644 3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.000 -7.978 3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.791 -6.983 4.574 1.00 0.00 H new ATOM 1065 N LEU A 72 68.951 -6.543 1.035 1.00 0.00 N ATOM 1066 CA LEU A 72 67.934 -5.496 1.324 1.00 0.00 C ATOM 1067 C LEU A 72 67.217 -5.109 0.030 1.00 0.00 C ATOM 1068 O LEU A 72 66.054 -4.757 0.038 1.00 0.00 O ATOM 1069 CB LEU A 72 68.617 -4.266 1.923 1.00 0.00 C ATOM 1070 CG LEU A 72 68.898 -4.509 3.405 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.940 -3.502 3.900 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.604 -4.337 4.203 1.00 0.00 C ATOM 0 H LEU A 72 69.907 -6.205 0.925 1.00 0.00 H new ATOM 0 HA LEU A 72 67.207 -5.885 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.548 -4.061 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.981 -3.389 1.802 1.00 0.00 H new ATOM 0 HG LEU A 72 69.278 -5.521 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.140 -3.676 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.862 -3.623 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.561 -2.489 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.803 -4.510 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.224 -3.325 4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.862 -5.054 3.851 1.00 0.00 H new ATOM 1084 N ALA A 73 67.893 -5.178 -1.082 1.00 0.00 N ATOM 1085 CA ALA A 73 67.234 -4.821 -2.368 1.00 0.00 C ATOM 1086 C ALA A 73 66.433 -6.024 -2.863 1.00 0.00 C ATOM 1087 O ALA A 73 65.363 -5.885 -3.419 1.00 0.00 O ATOM 1088 CB ALA A 73 68.294 -4.446 -3.406 1.00 0.00 C ATOM 0 H ALA A 73 68.869 -5.465 -1.156 1.00 0.00 H new ATOM 0 HA ALA A 73 66.569 -3.970 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.807 -4.185 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.869 -3.593 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.962 -5.292 -3.566 1.00 0.00 H new ATOM 1094 N GLN A 74 66.937 -7.207 -2.653 1.00 0.00 N ATOM 1095 CA GLN A 74 66.198 -8.418 -3.099 1.00 0.00 C ATOM 1096 C GLN A 74 65.006 -8.635 -2.169 1.00 0.00 C ATOM 1097 O GLN A 74 63.937 -9.029 -2.592 1.00 0.00 O ATOM 1098 CB GLN A 74 67.123 -9.637 -3.043 1.00 0.00 C ATOM 1099 CG GLN A 74 67.845 -9.795 -4.383 1.00 0.00 C ATOM 1100 CD GLN A 74 66.820 -10.044 -5.491 1.00 0.00 C ATOM 1101 OE1 GLN A 74 66.674 -9.240 -6.390 1.00 0.00 O ATOM 1102 NE2 GLN A 74 66.099 -11.132 -5.464 1.00 0.00 N ATOM 0 H GLN A 74 67.829 -7.387 -2.192 1.00 0.00 H new ATOM 0 HA GLN A 74 65.851 -8.284 -4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.849 -9.519 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.546 -10.535 -2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 74 68.424 -8.898 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.550 -10.625 -4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.222 -11.807 -4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 74 65.413 -11.307 -6.198 1.00 0.00 H new ATOM 1111 N TRP A 75 65.181 -8.374 -0.902 1.00 0.00 N ATOM 1112 CA TRP A 75 64.056 -8.561 0.056 1.00 0.00 C ATOM 1113 C TRP A 75 63.020 -7.445 -0.142 1.00 0.00 C ATOM 1114 O TRP A 75 61.832 -7.689 -0.147 1.00 0.00 O ATOM 1115 CB TRP A 75 64.599 -8.525 1.493 1.00 0.00 C ATOM 1116 CG TRP A 75 63.508 -8.169 2.458 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.360 -8.866 2.630 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.441 -7.041 3.377 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.598 -8.241 3.601 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.222 -7.111 4.090 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.314 -5.975 3.657 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.880 -6.158 5.050 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.973 -5.012 4.622 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.759 -5.104 5.317 1.00 0.00 C ATOM 0 H TRP A 75 66.052 -8.040 -0.490 1.00 0.00 H new ATOM 0 HA TRP A 75 63.579 -9.524 -0.123 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.020 -9.496 1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.407 -7.797 1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.084 -9.763 2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.687 -8.574 3.917 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.252 -5.896 3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.944 -6.234 5.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.650 -4.196 4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.503 -4.361 6.058 1.00 0.00 H new ATOM 1135 N ILE A 76 63.459 -6.225 -0.296 1.00 0.00 N ATOM 1136 CA ILE A 76 62.489 -5.106 -0.479 1.00 0.00 C ATOM 1137 C ILE A 76 61.775 -5.245 -1.824 1.00 0.00 C ATOM 1138 O ILE A 76 60.635 -4.851 -1.973 1.00 0.00 O ATOM 1139 CB ILE A 76 63.232 -3.771 -0.431 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.695 -3.500 1.004 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.296 -2.649 -0.883 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.800 -2.441 0.994 1.00 0.00 C ATOM 0 H ILE A 76 64.443 -5.955 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 76 61.750 -5.142 0.322 1.00 0.00 H new ATOM 0 HB ILE A 76 64.097 -3.811 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.855 -3.159 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.063 -4.420 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.826 -1.697 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.962 -2.842 -1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.432 -2.607 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 76 65.129 -2.249 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.643 -2.800 0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 76 64.417 -1.519 0.557 1.00 0.00 H new ATOM 1154 N LEU A 77 62.429 -5.798 -2.807 1.00 0.00 N ATOM 1155 CA LEU A 77 61.774 -5.950 -4.137 1.00 0.00 C ATOM 1156 C LEU A 77 60.778 -7.112 -4.088 1.00 0.00 C ATOM 1157 O LEU A 77 59.788 -7.121 -4.791 1.00 0.00 O ATOM 1158 CB LEU A 77 62.837 -6.226 -5.203 1.00 0.00 C ATOM 1159 CG LEU A 77 63.748 -5.006 -5.340 1.00 0.00 C ATOM 1160 CD1 LEU A 77 65.036 -5.408 -6.060 1.00 0.00 C ATOM 1161 CD2 LEU A 77 63.033 -3.921 -6.149 1.00 0.00 C ATOM 0 H LEU A 77 63.385 -6.150 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 77 61.243 -5.031 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.424 -7.103 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.361 -6.447 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 77 63.989 -4.622 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.685 -4.538 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.548 -6.180 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.794 -5.793 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.683 -3.052 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.791 -4.306 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 77 62.115 -3.632 -5.638 1.00 0.00 H new ATOM 1173 N SER A 78 61.029 -8.092 -3.261 1.00 0.00 N ATOM 1174 CA SER A 78 60.089 -9.247 -3.172 1.00 0.00 C ATOM 1175 C SER A 78 58.935 -8.896 -2.229 1.00 0.00 C ATOM 1176 O SER A 78 57.847 -9.427 -2.338 1.00 0.00 O ATOM 1177 CB SER A 78 60.830 -10.472 -2.636 1.00 0.00 C ATOM 1178 OG SER A 78 61.651 -11.012 -3.663 1.00 0.00 O ATOM 0 H SER A 78 61.841 -8.143 -2.646 1.00 0.00 H new ATOM 0 HA SER A 78 59.694 -9.468 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.439 -10.195 -1.776 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.117 -11.221 -2.293 1.00 0.00 H new ATOM 0 HG SER A 78 62.538 -10.597 -3.625 1.00 0.00 H new ATOM 1184 N ILE A 79 59.161 -8.005 -1.303 1.00 0.00 N ATOM 1185 CA ILE A 79 58.077 -7.622 -0.356 1.00 0.00 C ATOM 1186 C ILE A 79 56.794 -7.337 -1.146 1.00 0.00 C ATOM 1187 O ILE A 79 56.625 -6.277 -1.714 1.00 0.00 O ATOM 1188 CB ILE A 79 58.508 -6.375 0.433 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.401 -6.803 1.599 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.278 -5.644 0.985 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.745 -5.584 2.458 1.00 0.00 C ATOM 0 H ILE A 79 60.050 -7.526 -1.162 1.00 0.00 H new ATOM 0 HA ILE A 79 57.889 -8.435 0.345 1.00 0.00 H new ATOM 0 HB ILE A 79 59.052 -5.704 -0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.892 -7.554 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 79 60.314 -7.263 1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.598 -4.763 1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.636 -5.338 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.725 -6.311 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.381 -5.892 3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.272 -4.848 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.828 -5.143 2.848 1.00 0.00 H new ATOM 1203 N LYS A 80 55.892 -8.280 -1.186 1.00 0.00 N ATOM 1204 CA LYS A 80 54.624 -8.067 -1.938 1.00 0.00 C ATOM 1205 C LYS A 80 53.476 -8.774 -1.213 1.00 0.00 C ATOM 1206 O LYS A 80 52.342 -8.371 -1.404 1.00 0.00 O ATOM 1207 CB LYS A 80 54.764 -8.642 -3.349 1.00 0.00 C ATOM 1208 CG LYS A 80 53.624 -8.125 -4.228 1.00 0.00 C ATOM 1209 CD LYS A 80 54.049 -6.815 -4.893 1.00 0.00 C ATOM 1210 CE LYS A 80 52.842 -6.176 -5.585 1.00 0.00 C ATOM 1211 NZ LYS A 80 52.590 -6.866 -6.882 1.00 0.00 N ATOM 1212 OXT LYS A 80 53.753 -9.708 -0.478 1.00 0.00 O ATOM 0 H LYS A 80 55.979 -9.188 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 80 54.414 -6.999 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 80 55.725 -8.355 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 80 54.744 -9.731 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 80 53.371 -8.865 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.729 -7.967 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 80 54.457 -6.133 -4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 80 54.840 -7.004 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 80 51.962 -6.248 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 80 53.026 -5.115 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 51.770 -6.432 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 53.427 -6.775 -7.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 52.396 -7.873 -6.708 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.407 4.917 3.239 1.00 0.00 FE HETATM 1228 CHA HEC A 81 64.831 5.896 0.061 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.492 1.918 2.133 1.00 0.00 C HETATM 1230 CHC HEC A 81 66.236 4.067 6.401 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.050 7.793 4.370 1.00 0.00 C HETATM 1232 NA HEC A 81 65.595 4.081 1.484 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.304 4.623 0.254 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.513 3.670 -0.808 1.00 0.00 C HETATM 1235 C3A HEC A 81 65.963 2.541 -0.224 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.023 2.807 1.195 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.317 1.238 -0.921 1.00 0.00 C HETATM 1238 CAA HEC A 81 65.225 3.895 -2.286 1.00 0.00 C HETATM 1239 CBA HEC A 81 66.522 4.026 -3.086 1.00 0.00 C HETATM 1240 CGA HEC A 81 66.306 4.988 -4.255 1.00 0.00 C HETATM 1241 O1A HEC A 81 66.276 6.185 -4.016 1.00 0.00 O HETATM 1242 O2A HEC A 81 66.173 4.514 -5.371 1.00 0.00 O HETATM 1243 NB HEC A 81 66.194 3.339 4.081 1.00 0.00 N HETATM 1244 C1B HEC A 81 66.588 2.165 3.482 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.123 1.230 4.448 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.054 1.843 5.651 1.00 0.00 C HETATM 1247 C4B HEC A 81 66.481 3.145 5.413 1.00 0.00 C HETATM 1248 CMB HEC A 81 67.676 -0.156 4.152 1.00 0.00 C HETATM 1249 CAB HEC A 81 67.519 1.321 7.010 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.036 1.138 7.067 1.00 0.00 C HETATM 1251 NC HEC A 81 65.193 5.747 4.995 1.00 0.00 N HETATM 1252 C1C HEC A 81 65.630 5.283 6.213 1.00 0.00 C HETATM 1253 C2C HEC A 81 65.288 6.194 7.281 1.00 0.00 C HETATM 1254 C3C HEC A 81 64.593 7.199 6.709 1.00 0.00 C HETATM 1255 C4C HEC A 81 64.564 6.928 5.298 1.00 0.00 C HETATM 1256 CMC HEC A 81 65.677 6.071 8.745 1.00 0.00 C HETATM 1257 CAC HEC A 81 63.919 8.381 7.394 1.00 0.00 C HETATM 1258 CBC HEC A 81 64.910 9.269 8.147 1.00 0.00 C HETATM 1259 ND HEC A 81 64.634 6.505 2.401 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.099 7.611 3.014 1.00 0.00 C HETATM 1261 C2D HEC A 81 63.656 8.588 2.053 1.00 0.00 C HETATM 1262 C3D HEC A 81 63.934 8.084 0.835 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.516 6.781 1.059 1.00 0.00 C HETATM 1264 CMD HEC A 81 63.006 9.926 2.361 1.00 0.00 C HETATM 1265 CAD HEC A 81 63.727 8.782 -0.503 1.00 0.00 C HETATM 1266 CBD HEC A 81 64.924 9.671 -0.862 1.00 0.00 C HETATM 1267 CGD HEC A 81 65.698 9.047 -2.024 1.00 0.00 C HETATM 1268 O1D HEC A 81 65.066 8.444 -2.878 1.00 0.00 O HETATM 1269 O2D HEC A 81 66.911 9.181 -2.043 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.082 9.763 2.916 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 63.687 10.532 2.959 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 62.782 10.445 1.429 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 65.279 5.141 9.150 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 66.763 6.070 8.834 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 65.269 6.914 9.302 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 66.899 -0.768 3.694 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 68.521 -0.072 3.469 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 68.005 -0.622 5.081 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.439 0.853 -1.440 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 67.115 1.416 -1.642 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.651 0.509 -0.182 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 64.580 10.668 -1.135 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 65.577 9.785 0.003 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 65.415 8.682 8.914 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 65.648 9.664 7.449 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 64.375 10.095 8.616 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 69.345 0.423 6.305 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 69.525 2.095 6.886 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.321 0.766 8.051 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 67.323 4.392 -2.443 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 66.833 3.050 -3.458 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 63.578 8.037 -1.284 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 62.821 9.387 -0.463 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 64.636 3.065 -2.675 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 64.625 4.797 -2.410 1.00 0.00 H new HETATM 0 HHD HEC A 81 63.564 8.696 4.739 1.00 0.00 H new HETATM 0 HHC HEC A 81 66.548 3.812 7.414 1.00 0.00 H new HETATM 0 HHB HEC A 81 66.814 0.939 1.779 1.00 0.00 H new HETATM 0 HHA HEC A 81 64.695 6.230 -0.968 1.00 0.00 H new