USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 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 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 70:sc= 0.685 USER MOD Set 1.2: A 201 HEM CMB :methyl -30:sc= -1.38 (180deg=-2.18) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.703 K(o=-0.18,f=-9.5) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.461 K(o=-0.18,f=-9.5!) USER MOD Set 2.3: A 61 HIS : no HE2:sc= -0.316 K(o=-0.18,f=-6.3!) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -1.02 (180deg=-0.692) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -2.6 K(o=-2.3,f=-19!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ -172:sc= 0.326 (180deg=0.105) USER MOD Set 4.1: A 16 ASN : amide:sc= 0.417 K(o=2.2,f=-9.3!) USER MOD Set 4.2: A 17 ASN : amide:sc= 1.74 K(o=2.2,f=-6.5!) USER MOD Set 5.1: A 5 LYS NZ :NH3+ 140:sc= 2.58 (180deg=1.01) USER MOD Set 5.2: A 7 TYR OH : rot 30:sc= 0.959 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0566 USER MOD Single : A 13 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 1.14 (180deg=0.64) USER MOD Single : A 18 SER OG : rot 103:sc= 0.112 USER MOD Single : A 20 SER OG : rot 74:sc= 0.95 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.365 X(o=-0.37,f=-0.18) USER MOD Single : A 27 TYR OH : rot -171:sc= 1.33 USER MOD Single : A 28 LYS NZ :NH3+ 176:sc= 0.795 (180deg=0.754) USER MOD Single : A 30 TYR OH : rot 26:sc= 1.11 USER MOD Single : A 33 THR OG1 : rot -92:sc= 1.39 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc=-0.00721 (180deg=-0.159) USER MOD Single : A 55 THR OG1 : rot 15:sc= 1.07 USER MOD Single : A 64 SER OG : rot -140:sc= 2.12 USER MOD Single : A 65 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= 0.68 (180deg=-3.57!) USER MOD Single : A 73 THR OG1 : rot -32:sc= 0.142 USER MOD Single : A 80 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.179 (180deg=-0.688) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.518 (180deg=-1.47) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -4.628 20.335 1.354 1.00 10.00 N ATOM 2 CA ALA A 3 -5.388 19.627 2.399 1.00 10.00 C ATOM 3 C ALA A 3 -5.106 18.141 2.205 1.00 10.00 C ATOM 4 O ALA A 3 -4.122 17.838 1.532 1.00 10.00 O ATOM 5 CB ALA A 3 -6.881 19.972 2.318 1.00 10.00 C ATOM 0 HA ALA A 3 -5.082 19.930 3.400 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -7.421 19.437 3.099 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -7.014 21.045 2.454 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -7.270 19.679 1.343 1.00 10.00 H new ATOM 13 N VAL A 4 -5.950 17.248 2.727 1.00 10.00 N ATOM 14 CA VAL A 4 -5.976 15.865 2.263 1.00 10.00 C ATOM 15 C VAL A 4 -6.388 15.838 0.784 1.00 10.00 C ATOM 16 O VAL A 4 -6.764 16.872 0.226 1.00 10.00 O ATOM 17 CB VAL A 4 -6.912 15.016 3.142 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.418 14.978 4.592 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.372 15.474 3.087 1.00 10.00 C ATOM 0 H VAL A 4 -6.620 17.459 3.467 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.982 15.426 2.349 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.884 14.008 2.728 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -7.097 14.372 5.192 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.419 14.544 4.625 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.387 15.991 4.992 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.978 14.834 3.728 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.443 16.505 3.432 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.735 15.409 2.061 1.00 10.00 H new ATOM 29 N LYS A 5 -6.314 14.670 0.150 1.00 10.00 N ATOM 30 CA LYS A 5 -6.639 14.488 -1.255 1.00 10.00 C ATOM 31 C LYS A 5 -7.892 13.626 -1.375 1.00 10.00 C ATOM 32 O LYS A 5 -8.740 13.882 -2.222 1.00 10.00 O ATOM 33 CB LYS A 5 -5.440 13.869 -1.970 1.00 10.00 C ATOM 34 CG LYS A 5 -5.582 14.082 -3.483 1.00 10.00 C ATOM 35 CD LYS A 5 -4.581 13.210 -4.230 1.00 10.00 C ATOM 36 CE LYS A 5 -3.131 13.713 -4.166 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.175 12.658 -4.563 1.00 10.00 N ATOM 0 H LYS A 5 -6.020 13.809 0.611 1.00 10.00 H new ATOM 0 HA LYS A 5 -6.851 15.446 -1.731 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -4.516 14.323 -1.613 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -5.379 12.804 -1.746 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -6.596 13.838 -3.799 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -5.416 15.131 -3.728 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.621 12.200 -3.821 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.884 13.143 -5.275 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.015 14.576 -4.821 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.905 14.048 -3.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -1.419 13.075 -5.143 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.761 12.227 -3.712 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.672 11.929 -5.114 1.00 10.00 H new ATOM 51 N TYR A 6 -7.969 12.594 -0.535 1.00 10.00 N ATOM 52 CA TYR A 6 -8.950 11.534 -0.582 1.00 10.00 C ATOM 53 C TYR A 6 -9.351 11.101 -1.990 1.00 10.00 C ATOM 54 O TYR A 6 -10.459 11.316 -2.480 1.00 10.00 O ATOM 55 CB TYR A 6 -10.154 11.786 0.306 1.00 10.00 C ATOM 56 CG TYR A 6 -10.033 11.544 1.788 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.948 10.212 2.197 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.206 12.549 2.750 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.771 9.886 3.539 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.106 12.222 4.117 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.847 10.893 4.512 1.00 10.00 C ATOM 62 OH TYR A 6 -9.645 10.589 5.824 1.00 10.00 O ATOM 0 H TYR A 6 -7.309 12.478 0.234 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.425 10.677 -0.159 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.454 12.824 0.166 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.970 11.165 -0.063 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.021 9.424 1.462 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.414 13.564 2.446 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.576 8.864 3.829 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.228 12.992 4.865 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.732 11.401 6.365 1.00 10.00 H new ATOM 72 N TYR A 7 -8.422 10.355 -2.558 1.00 10.00 N ATOM 73 CA TYR A 7 -8.645 9.323 -3.528 1.00 10.00 C ATOM 74 C TYR A 7 -9.862 8.457 -3.236 1.00 10.00 C ATOM 75 O TYR A 7 -10.096 8.028 -2.111 1.00 10.00 O ATOM 76 CB TYR A 7 -7.406 8.438 -3.451 1.00 10.00 C ATOM 77 CG TYR A 7 -6.308 8.824 -4.419 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.611 9.270 -5.723 1.00 10.00 C ATOM 79 CD2 TYR A 7 -5.051 9.113 -3.872 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.705 10.096 -6.416 1.00 10.00 C ATOM 81 CE2 TYR A 7 -4.151 9.928 -4.566 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.449 10.381 -5.857 1.00 10.00 C ATOM 83 OH TYR A 7 -3.586 11.249 -6.465 1.00 10.00 O ATOM 0 H TYR A 7 -7.433 10.468 -2.334 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.824 9.778 -4.502 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.010 8.474 -2.436 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.698 7.405 -3.643 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.540 8.977 -6.191 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.776 8.705 -2.911 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.976 10.510 -7.376 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -3.218 10.211 -4.102 1.00 10.00 H new ATOM 0 HH TYR A 7 -4.096 11.923 -6.961 1.00 10.00 H new ATOM 93 N THR A 8 -10.600 8.136 -4.287 1.00 10.00 N ATOM 94 CA THR A 8 -11.772 7.301 -4.210 1.00 10.00 C ATOM 95 C THR A 8 -11.368 5.840 -4.382 1.00 10.00 C ATOM 96 O THR A 8 -10.367 5.539 -5.033 1.00 10.00 O ATOM 97 CB THR A 8 -12.714 7.762 -5.321 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.987 7.841 -6.534 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.220 9.160 -4.968 1.00 10.00 C ATOM 0 H THR A 8 -10.391 8.458 -5.232 1.00 10.00 H new ATOM 0 HA THR A 8 -12.271 7.384 -3.244 1.00 10.00 H new ATOM 0 HB THR A 8 -13.546 7.065 -5.427 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.583 8.135 -7.254 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.895 9.510 -5.748 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.751 9.125 -4.017 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.375 9.843 -4.886 1.00 10.00 H new ATOM 107 N LEU A 9 -12.172 4.924 -3.837 1.00 10.00 N ATOM 108 CA LEU A 9 -12.028 3.492 -4.072 1.00 10.00 C ATOM 109 C LEU A 9 -11.910 3.189 -5.563 1.00 10.00 C ATOM 110 O LEU A 9 -11.069 2.385 -5.957 1.00 10.00 O ATOM 111 CB LEU A 9 -13.154 2.753 -3.343 1.00 10.00 C ATOM 112 CG LEU A 9 -13.522 1.344 -3.843 1.00 10.00 C ATOM 113 CD1 LEU A 9 -14.095 0.531 -2.674 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.572 1.370 -4.963 1.00 10.00 C ATOM 0 H LEU A 9 -12.946 5.161 -3.216 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.093 3.120 -3.652 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.879 2.675 -2.291 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.050 3.372 -3.393 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.611 0.896 -4.240 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.358 -0.468 -3.020 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.349 0.456 -1.883 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.985 1.027 -2.288 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.794 0.350 -5.277 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.483 1.843 -4.597 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.185 1.935 -5.811 1.00 10.00 H new ATOM 126 N GLU A 10 -12.693 3.901 -6.385 1.00 10.00 N ATOM 127 CA GLU A 10 -12.582 3.890 -7.836 1.00 10.00 C ATOM 128 C GLU A 10 -11.112 3.921 -8.251 1.00 10.00 C ATOM 129 O GLU A 10 -10.633 2.997 -8.902 1.00 10.00 O ATOM 130 CB GLU A 10 -13.341 5.098 -8.407 1.00 10.00 C ATOM 131 CG GLU A 10 -13.430 5.104 -9.940 1.00 10.00 C ATOM 132 CD GLU A 10 -14.236 3.934 -10.485 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.454 3.909 -10.218 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.618 3.081 -11.160 1.00 10.00 O ATOM 0 H GLU A 10 -13.435 4.512 -6.044 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.022 2.976 -8.234 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.349 5.111 -7.994 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.850 6.013 -8.077 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.884 6.038 -10.270 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.424 5.073 -10.359 1.00 10.00 H new ATOM 141 N GLU A 11 -10.390 4.968 -7.840 1.00 10.00 N ATOM 142 CA GLU A 11 -8.973 5.096 -8.148 1.00 10.00 C ATOM 143 C GLU A 11 -8.183 3.990 -7.460 1.00 10.00 C ATOM 144 O GLU A 11 -7.338 3.338 -8.072 1.00 10.00 O ATOM 145 CB GLU A 11 -8.425 6.477 -7.729 1.00 10.00 C ATOM 146 CG GLU A 11 -8.431 7.529 -8.850 1.00 10.00 C ATOM 147 CD GLU A 11 -7.447 7.212 -9.982 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.667 6.236 -10.734 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.414 7.905 -10.108 1.00 10.00 O ATOM 0 H GLU A 11 -10.771 5.739 -7.291 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.858 5.003 -9.228 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -9.017 6.851 -6.893 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.404 6.355 -7.367 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.437 7.605 -9.263 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.186 8.503 -8.427 1.00 10.00 H new ATOM 156 N ILE A 12 -8.415 3.807 -6.162 1.00 10.00 N ATOM 157 CA ILE A 12 -7.553 2.959 -5.362 1.00 10.00 C ATOM 158 C ILE A 12 -7.497 1.545 -5.931 1.00 10.00 C ATOM 159 O ILE A 12 -6.407 0.998 -6.073 1.00 10.00 O ATOM 160 CB ILE A 12 -7.936 3.014 -3.873 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.711 4.439 -3.334 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.107 2.023 -3.052 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.532 4.732 -2.081 1.00 10.00 C ATOM 0 H ILE A 12 -9.188 4.233 -5.651 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.535 3.346 -5.416 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.988 2.742 -3.781 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.653 4.575 -3.110 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.968 5.161 -4.109 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.400 2.084 -2.004 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.281 1.011 -3.419 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.049 2.267 -3.148 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.333 5.750 -1.746 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.593 4.625 -2.308 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.257 4.030 -1.293 1.00 10.00 H new ATOM 175 N GLN A 13 -8.640 0.977 -6.311 1.00 10.00 N ATOM 176 CA GLN A 13 -8.679 -0.371 -6.865 1.00 10.00 C ATOM 177 C GLN A 13 -7.848 -0.408 -8.140 1.00 10.00 C ATOM 178 O GLN A 13 -7.026 -1.295 -8.364 1.00 10.00 O ATOM 179 CB GLN A 13 -10.115 -0.749 -7.239 1.00 10.00 C ATOM 180 CG GLN A 13 -10.986 -1.090 -6.029 1.00 10.00 C ATOM 181 CD GLN A 13 -12.413 -1.438 -6.445 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.691 -1.374 -7.665 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.201 -1.774 -5.536 1.00 10.00 N ATOM 0 H GLN A 13 -9.551 1.431 -6.245 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.291 -1.065 -6.120 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.571 0.078 -7.784 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.094 -1.604 -7.915 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.548 -1.930 -5.490 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.003 -0.244 -5.342 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.882 -1.796 -4.567 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.163 -2.026 -5.762 1.00 10.00 H new ATOM 190 N LYS A 14 -8.113 0.588 -8.983 1.00 10.00 N ATOM 191 CA LYS A 14 -7.446 0.808 -10.246 1.00 10.00 C ATOM 192 C LYS A 14 -5.928 0.775 -10.053 1.00 10.00 C ATOM 193 O LYS A 14 -5.193 0.228 -10.876 1.00 10.00 O ATOM 194 CB LYS A 14 -7.900 2.175 -10.775 1.00 10.00 C ATOM 195 CG LYS A 14 -8.256 2.195 -12.267 1.00 10.00 C ATOM 196 CD LYS A 14 -9.539 1.402 -12.601 1.00 10.00 C ATOM 197 CE LYS A 14 -10.697 1.772 -11.656 1.00 10.00 C ATOM 198 NZ LYS A 14 -12.022 1.315 -12.112 1.00 10.00 N ATOM 0 H LYS A 14 -8.829 1.288 -8.788 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.702 0.026 -10.961 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.769 2.501 -10.203 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.108 2.902 -10.594 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.382 3.229 -12.589 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.424 1.783 -12.837 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.832 1.601 -13.632 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.336 0.334 -12.528 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.498 1.347 -10.672 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.721 2.855 -11.536 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.763 1.796 -11.563 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -12.138 1.539 -13.121 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.101 0.287 -11.975 1.00 10.00 H new ATOM 212 N HIS A 15 -5.453 1.378 -8.964 1.00 10.00 N ATOM 213 CA HIS A 15 -4.057 1.359 -8.572 1.00 10.00 C ATOM 214 C HIS A 15 -3.632 0.013 -7.972 1.00 10.00 C ATOM 215 O HIS A 15 -3.333 -0.109 -6.784 1.00 10.00 O ATOM 216 CB HIS A 15 -3.793 2.524 -7.629 1.00 10.00 C ATOM 217 CG HIS A 15 -3.486 3.807 -8.344 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.229 4.205 -8.720 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.363 4.785 -8.716 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.335 5.408 -9.303 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.625 5.781 -9.369 1.00 10.00 N ATOM 0 H HIS A 15 -6.046 1.903 -8.321 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.441 1.478 -9.463 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.664 2.671 -6.991 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.958 2.272 -6.975 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.366 3.679 -8.581 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.428 4.790 -8.540 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.504 5.993 -9.667 1.00 10.00 H new ATOM 229 N ASN A 16 -3.509 -0.994 -8.834 1.00 10.00 N ATOM 230 CA ASN A 16 -2.936 -2.299 -8.484 1.00 10.00 C ATOM 231 C ASN A 16 -2.049 -2.857 -9.606 1.00 10.00 C ATOM 232 O ASN A 16 -1.792 -4.065 -9.682 1.00 10.00 O ATOM 233 CB ASN A 16 -4.050 -3.268 -8.057 1.00 10.00 C ATOM 234 CG ASN A 16 -4.953 -3.728 -9.199 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.725 -3.424 -10.369 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.989 -4.492 -8.867 1.00 10.00 N ATOM 0 H ASN A 16 -3.807 -0.930 -9.807 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.272 -2.170 -7.629 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.596 -4.144 -7.593 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.663 -2.786 -7.296 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.618 -4.841 -9.590 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.155 -4.729 -7.889 1.00 10.00 H new ATOM 243 N ASN A 17 -1.576 -1.979 -10.495 1.00 10.00 N ATOM 244 CA ASN A 17 -0.871 -2.342 -11.715 1.00 10.00 C ATOM 245 C ASN A 17 -0.023 -1.142 -12.137 1.00 10.00 C ATOM 246 O ASN A 17 0.277 -0.292 -11.304 1.00 10.00 O ATOM 247 CB ASN A 17 -1.904 -2.747 -12.783 1.00 10.00 C ATOM 248 CG ASN A 17 -2.867 -1.591 -13.043 1.00 10.00 C ATOM 249 OD1 ASN A 17 -2.531 -0.642 -13.746 1.00 10.00 O ATOM 250 ND2 ASN A 17 -4.029 -1.631 -12.406 1.00 10.00 N ATOM 0 H ASN A 17 -1.679 -0.971 -10.378 1.00 10.00 H new ATOM 0 HA ASN A 17 -0.207 -3.194 -11.570 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -1.395 -3.022 -13.707 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.458 -3.625 -12.451 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -4.684 -0.853 -12.490 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.268 -2.439 -11.832 1.00 10.00 H new ATOM 257 N SER A 18 0.330 -1.063 -13.421 1.00 10.00 N ATOM 258 CA SER A 18 1.097 -0.007 -14.065 1.00 10.00 C ATOM 259 C SER A 18 0.609 1.406 -13.726 1.00 10.00 C ATOM 260 O SER A 18 1.415 2.330 -13.674 1.00 10.00 O ATOM 261 CB SER A 18 1.025 -0.255 -15.573 1.00 10.00 C ATOM 262 OG SER A 18 1.162 -1.645 -15.815 1.00 10.00 O ATOM 0 H SER A 18 0.065 -1.792 -14.083 1.00 10.00 H new ATOM 0 HA SER A 18 2.122 -0.046 -13.695 1.00 10.00 H new ATOM 0 HB2 SER A 18 0.076 0.105 -15.970 1.00 10.00 H new ATOM 0 HB3 SER A 18 1.814 0.297 -16.084 1.00 10.00 H new ATOM 0 HG SER A 18 0.283 -2.030 -16.015 1.00 10.00 H new ATOM 268 N LYS A 19 -0.698 1.568 -13.489 1.00 10.00 N ATOM 269 CA LYS A 19 -1.291 2.773 -12.911 1.00 10.00 C ATOM 270 C LYS A 19 -0.427 3.307 -11.758 1.00 10.00 C ATOM 271 O LYS A 19 -0.188 4.508 -11.650 1.00 10.00 O ATOM 272 CB LYS A 19 -2.682 2.390 -12.387 1.00 10.00 C ATOM 273 CG LYS A 19 -3.524 3.588 -11.931 1.00 10.00 C ATOM 274 CD LYS A 19 -4.370 4.234 -13.044 1.00 10.00 C ATOM 275 CE LYS A 19 -4.635 5.741 -12.830 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.254 6.062 -11.526 1.00 10.00 N ATOM 0 H LYS A 19 -1.387 0.846 -13.700 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.358 3.558 -13.664 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -3.221 1.857 -13.170 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.568 1.699 -11.552 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -4.187 3.265 -11.129 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -2.860 4.344 -11.511 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.864 4.096 -13.999 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -5.325 3.713 -13.111 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.692 6.281 -12.916 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -5.284 6.103 -13.628 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -5.525 7.066 -11.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -6.100 5.472 -11.389 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -4.573 5.874 -10.763 1.00 10.00 H new ATOM 290 N SER A 20 -0.005 2.368 -10.911 1.00 10.00 N ATOM 291 CA SER A 20 0.934 2.395 -9.788 1.00 10.00 C ATOM 292 C SER A 20 0.278 1.636 -8.633 1.00 10.00 C ATOM 293 O SER A 20 -0.896 1.857 -8.361 1.00 10.00 O ATOM 294 CB SER A 20 1.411 3.797 -9.378 1.00 10.00 C ATOM 295 OG SER A 20 2.174 4.376 -10.418 1.00 10.00 O ATOM 0 H SER A 20 -0.374 1.423 -11.016 1.00 10.00 H new ATOM 0 HA SER A 20 1.860 1.910 -10.098 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.553 4.429 -9.151 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.010 3.734 -8.469 1.00 10.00 H new ATOM 0 HG SER A 20 1.578 4.658 -11.143 1.00 10.00 H new ATOM 301 N THR A 21 0.980 0.696 -7.999 1.00 10.00 N ATOM 302 CA THR A 21 0.393 -0.201 -7.009 1.00 10.00 C ATOM 303 C THR A 21 0.181 0.507 -5.667 1.00 10.00 C ATOM 304 O THR A 21 1.158 0.892 -5.025 1.00 10.00 O ATOM 305 CB THR A 21 1.311 -1.418 -6.870 1.00 10.00 C ATOM 306 OG1 THR A 21 1.342 -2.094 -8.114 1.00 10.00 O ATOM 307 CG2 THR A 21 0.828 -2.401 -5.806 1.00 10.00 C ATOM 0 H THR A 21 1.975 0.537 -8.160 1.00 10.00 H new ATOM 0 HA THR A 21 -0.595 -0.523 -7.339 1.00 10.00 H new ATOM 0 HB THR A 21 2.295 -1.059 -6.570 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.646 -3.016 -7.978 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.516 -3.244 -5.750 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.789 -1.900 -4.839 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.167 -2.761 -6.068 1.00 10.00 H new ATOM 315 N TRP A 22 -1.081 0.645 -5.247 1.00 10.00 N ATOM 316 CA TRP A 22 -1.514 1.270 -4.001 1.00 10.00 C ATOM 317 C TRP A 22 -1.991 0.229 -3.001 1.00 10.00 C ATOM 318 O TRP A 22 -2.427 -0.846 -3.394 1.00 10.00 O ATOM 319 CB TRP A 22 -2.650 2.241 -4.306 1.00 10.00 C ATOM 320 CG TRP A 22 -2.211 3.545 -4.907 1.00 10.00 C ATOM 321 CD1 TRP A 22 -0.981 3.840 -5.379 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.030 4.692 -5.243 1.00 10.00 C ATOM 323 NE1 TRP A 22 -0.973 5.089 -5.949 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.239 5.647 -5.947 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.386 4.989 -5.052 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.799 6.817 -6.484 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -4.974 6.116 -5.641 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.194 6.994 -6.409 1.00 10.00 C ATOM 0 H TRP A 22 -1.867 0.304 -5.800 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.668 1.799 -3.562 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.350 1.759 -4.988 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.194 2.445 -3.384 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.124 3.186 -5.317 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.142 5.546 -6.325 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -4.990 4.336 -4.439 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.173 7.566 -6.945 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.028 6.309 -5.504 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.664 7.806 -6.943 1.00 10.00 H new ATOM 339 N LEU A 23 -1.975 0.560 -1.710 1.00 10.00 N ATOM 340 CA LEU A 23 -2.736 -0.171 -0.704 1.00 10.00 C ATOM 341 C LEU A 23 -3.188 0.789 0.382 1.00 10.00 C ATOM 342 O LEU A 23 -2.721 1.927 0.415 1.00 10.00 O ATOM 343 CB LEU A 23 -1.988 -1.391 -0.131 1.00 10.00 C ATOM 344 CG LEU A 23 -0.495 -1.544 -0.425 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.290 -0.735 0.599 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.114 -3.029 -0.342 1.00 10.00 C ATOM 0 H LEU A 23 -1.435 1.340 -1.336 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.613 -0.594 -1.195 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.111 -1.375 0.952 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.490 -2.287 -0.496 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.263 -1.178 -1.425 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.357 -0.835 0.401 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.005 0.315 0.529 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.070 -1.105 1.601 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.950 -3.144 -0.551 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.330 -3.405 0.658 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.691 -3.594 -1.074 1.00 10.00 H new ATOM 358 N ILE A 24 -4.106 0.335 1.241 1.00 10.00 N ATOM 359 CA ILE A 24 -4.647 1.135 2.334 1.00 10.00 C ATOM 360 C ILE A 24 -4.201 0.548 3.672 1.00 10.00 C ATOM 361 O ILE A 24 -4.508 -0.604 3.995 1.00 10.00 O ATOM 362 CB ILE A 24 -6.184 1.265 2.261 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.774 1.326 0.838 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.636 2.487 3.065 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.243 0.895 0.831 1.00 10.00 C ATOM 0 H ILE A 24 -4.495 -0.607 1.193 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.251 2.146 2.240 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.573 0.342 2.691 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.688 2.340 0.448 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.199 0.680 0.175 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.721 2.576 3.012 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.332 2.371 4.105 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.177 3.385 2.651 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.633 0.948 -0.186 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.324 -0.128 1.198 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.820 1.558 1.476 1.00 10.00 H new ATOM 377 N LEU A 25 -3.466 1.353 4.442 1.00 10.00 N ATOM 378 CA LEU A 25 -2.908 0.993 5.740 1.00 10.00 C ATOM 379 C LEU A 25 -3.379 2.063 6.725 1.00 10.00 C ATOM 380 O LEU A 25 -2.743 3.105 6.873 1.00 10.00 O ATOM 381 CB LEU A 25 -1.376 0.893 5.675 1.00 10.00 C ATOM 382 CG LEU A 25 -0.801 -0.484 5.298 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.279 -1.000 3.939 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.729 -0.393 5.264 1.00 10.00 C ATOM 0 H LEU A 25 -3.237 2.308 4.165 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.250 0.009 6.062 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.015 1.625 4.952 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.972 1.179 6.646 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.155 -1.185 6.054 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.832 -1.975 3.742 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.365 -1.094 3.947 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.981 -0.300 3.159 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.145 -1.364 4.998 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.033 0.347 4.524 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.098 -0.097 6.246 1.00 10.00 H new ATOM 396 N HIS A 26 -4.515 1.816 7.379 1.00 10.00 N ATOM 397 CA HIS A 26 -5.140 2.745 8.316 1.00 10.00 C ATOM 398 C HIS A 26 -5.742 3.940 7.564 1.00 10.00 C ATOM 399 O HIS A 26 -5.486 5.093 7.906 1.00 10.00 O ATOM 400 CB HIS A 26 -4.174 3.168 9.445 1.00 10.00 C ATOM 401 CG HIS A 26 -3.323 2.056 10.021 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.679 1.194 11.035 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.033 1.757 9.663 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.626 0.388 11.270 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.603 0.692 10.456 1.00 10.00 N ATOM 0 H HIS A 26 -5.036 0.946 7.268 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.961 2.229 8.814 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.514 3.947 9.063 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.757 3.612 10.252 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.453 2.257 8.902 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.607 -0.396 12.012 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.692 0.235 10.423 1.00 10.00 H new ATOM 413 N TYR A 27 -6.535 3.656 6.523 1.00 10.00 N ATOM 414 CA TYR A 27 -7.324 4.603 5.721 1.00 10.00 C ATOM 415 C TYR A 27 -6.478 5.561 4.866 1.00 10.00 C ATOM 416 O TYR A 27 -6.918 5.977 3.795 1.00 10.00 O ATOM 417 CB TYR A 27 -8.391 5.340 6.550 1.00 10.00 C ATOM 418 CG TYR A 27 -9.645 4.553 6.922 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.627 3.155 7.121 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.853 5.248 7.128 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.786 2.480 7.542 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.948 4.599 7.705 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.950 3.206 7.838 1.00 10.00 C ATOM 424 OH TYR A 27 -13.089 2.549 8.191 1.00 10.00 O ATOM 0 H TYR A 27 -6.651 2.697 6.196 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.859 3.981 5.003 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.924 5.688 7.471 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.699 6.226 5.995 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.716 2.601 6.949 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.933 6.286 6.839 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -10.781 1.404 7.638 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.795 5.174 8.049 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.836 3.183 8.222 1.00 10.00 H new ATOM 434 N LYS A 28 -5.257 5.897 5.283 1.00 10.00 N ATOM 435 CA LYS A 28 -4.283 6.481 4.373 1.00 10.00 C ATOM 436 C LYS A 28 -4.003 5.503 3.219 1.00 10.00 C ATOM 437 O LYS A 28 -4.175 4.290 3.378 1.00 10.00 O ATOM 438 CB LYS A 28 -2.997 6.824 5.139 1.00 10.00 C ATOM 439 CG LYS A 28 -3.054 8.112 5.972 1.00 10.00 C ATOM 440 CD LYS A 28 -3.373 9.327 5.093 1.00 10.00 C ATOM 441 CE LYS A 28 -2.878 10.664 5.664 1.00 10.00 C ATOM 442 NZ LYS A 28 -2.861 11.735 4.640 1.00 10.00 N ATOM 0 H LYS A 28 -4.924 5.774 6.239 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.680 7.403 3.949 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.755 5.993 5.801 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.179 6.909 4.423 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.812 8.013 6.749 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.100 8.265 6.476 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.927 9.177 4.110 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.452 9.384 4.948 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.521 10.964 6.492 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -1.875 10.535 6.070 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -2.586 12.635 5.083 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.177 11.492 3.895 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.808 11.831 4.222 1.00 10.00 H new ATOM 456 N VAL A 29 -3.562 6.037 2.073 1.00 10.00 N ATOM 457 CA VAL A 29 -3.256 5.284 0.860 1.00 10.00 C ATOM 458 C VAL A 29 -1.770 5.409 0.534 1.00 10.00 C ATOM 459 O VAL A 29 -1.195 6.494 0.640 1.00 10.00 O ATOM 460 CB VAL A 29 -4.103 5.783 -0.314 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.745 5.093 -1.625 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.572 5.458 -0.090 1.00 10.00 C ATOM 0 H VAL A 29 -3.405 7.039 1.966 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.496 4.234 1.030 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.911 6.854 -0.372 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.374 5.483 -2.425 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.698 5.282 -1.862 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.906 4.019 -1.527 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.158 5.820 -0.935 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.696 4.379 0.001 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.916 5.941 0.824 1.00 10.00 H new ATOM 472 N TYR A 30 -1.179 4.279 0.140 1.00 10.00 N ATOM 473 CA TYR A 30 0.244 3.991 0.161 1.00 10.00 C ATOM 474 C TYR A 30 0.675 3.474 -1.207 1.00 10.00 C ATOM 475 O TYR A 30 0.296 2.355 -1.545 1.00 10.00 O ATOM 476 CB TYR A 30 0.429 2.888 1.208 1.00 10.00 C ATOM 477 CG TYR A 30 0.218 3.383 2.624 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.092 3.482 3.113 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.279 3.899 3.389 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.331 4.035 4.376 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.030 4.418 4.677 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.268 4.418 5.196 1.00 10.00 C ATOM 483 OH TYR A 30 -0.494 4.685 6.512 1.00 10.00 O ATOM 0 H TYR A 30 -1.722 3.496 -0.224 1.00 10.00 H new ATOM 0 HA TYR A 30 0.836 4.875 0.396 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.270 2.078 1.003 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.433 2.473 1.119 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.919 3.131 2.514 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.283 3.898 2.991 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.346 4.167 4.719 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.845 4.816 5.264 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.285 4.192 6.815 1.00 10.00 H new ATOM 493 N ASP A 31 1.458 4.248 -1.969 1.00 10.00 N ATOM 494 CA ASP A 31 2.014 3.789 -3.245 1.00 10.00 C ATOM 495 C ASP A 31 3.319 3.074 -2.978 1.00 10.00 C ATOM 496 O ASP A 31 4.162 3.618 -2.267 1.00 10.00 O ATOM 497 CB ASP A 31 2.340 4.943 -4.192 1.00 10.00 C ATOM 498 CG ASP A 31 2.510 4.489 -5.639 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.481 3.747 -5.920 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.646 4.900 -6.450 1.00 10.00 O ATOM 0 H ASP A 31 1.721 5.201 -1.720 1.00 10.00 H new ATOM 0 HA ASP A 31 1.263 3.147 -3.706 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.544 5.686 -4.140 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.255 5.433 -3.859 1.00 10.00 H new ATOM 505 N LEU A 32 3.492 1.884 -3.545 1.00 10.00 N ATOM 506 CA LEU A 32 4.709 1.124 -3.351 1.00 10.00 C ATOM 507 C LEU A 32 5.570 1.156 -4.606 1.00 10.00 C ATOM 508 O LEU A 32 6.706 1.615 -4.537 1.00 10.00 O ATOM 509 CB LEU A 32 4.372 -0.301 -2.887 1.00 10.00 C ATOM 510 CG LEU A 32 3.517 -0.310 -1.614 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.390 -1.724 -1.052 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.020 0.562 -0.467 1.00 10.00 C ATOM 0 H LEU A 32 2.801 1.430 -4.142 1.00 10.00 H new ATOM 0 HA LEU A 32 5.304 1.583 -2.561 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.841 -0.824 -3.683 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.296 -0.850 -2.706 1.00 10.00 H new ATOM 0 HG LEU A 32 2.568 0.102 -1.956 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.779 -1.703 -0.150 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.920 -2.369 -1.794 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.380 -2.110 -0.811 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.339 0.478 0.380 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.014 0.231 -0.167 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.067 1.601 -0.793 1.00 10.00 H new ATOM 524 N THR A 33 5.047 0.640 -5.724 1.00 10.00 N ATOM 525 CA THR A 33 5.721 0.486 -7.016 1.00 10.00 C ATOM 526 C THR A 33 7.216 0.158 -6.915 1.00 10.00 C ATOM 527 O THR A 33 7.605 -1.001 -6.936 1.00 10.00 O ATOM 528 CB THR A 33 5.501 1.736 -7.887 1.00 10.00 C ATOM 529 OG1 THR A 33 5.745 2.933 -7.162 1.00 10.00 O ATOM 530 CG2 THR A 33 4.087 1.774 -8.449 1.00 10.00 C ATOM 0 H THR A 33 4.086 0.299 -5.752 1.00 10.00 H new ATOM 0 HA THR A 33 5.262 -0.383 -7.488 1.00 10.00 H new ATOM 0 HB THR A 33 6.215 1.671 -8.708 1.00 10.00 H new ATOM 0 HG1 THR A 33 4.906 3.255 -6.770 1.00 10.00 H new ATOM 0 HG21 THR A 33 3.962 2.668 -9.060 1.00 10.00 H new ATOM 0 HG22 THR A 33 3.915 0.889 -9.062 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.370 1.792 -7.628 1.00 10.00 H new ATOM 538 N LYS A 34 8.066 1.174 -6.801 1.00 10.00 N ATOM 539 CA LYS A 34 9.510 1.009 -6.659 1.00 10.00 C ATOM 540 C LYS A 34 9.850 0.036 -5.520 1.00 10.00 C ATOM 541 O LYS A 34 10.811 -0.724 -5.599 1.00 10.00 O ATOM 542 CB LYS A 34 10.149 2.382 -6.414 1.00 10.00 C ATOM 543 CG LYS A 34 9.809 3.369 -7.542 1.00 10.00 C ATOM 544 CD LYS A 34 10.395 4.753 -7.234 1.00 10.00 C ATOM 545 CE LYS A 34 9.902 5.814 -8.229 1.00 10.00 C ATOM 546 NZ LYS A 34 8.446 6.066 -8.116 1.00 10.00 N ATOM 0 H LYS A 34 7.767 2.149 -6.805 1.00 10.00 H new ATOM 0 HA LYS A 34 9.911 0.581 -7.578 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.801 2.782 -5.462 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.231 2.273 -6.338 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.206 3.001 -8.488 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.728 3.442 -7.657 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.119 5.048 -6.222 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.483 4.702 -7.266 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.443 6.745 -8.060 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.134 5.491 -9.244 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 8.201 6.930 -8.641 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 7.922 5.260 -8.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 8.191 6.185 -7.115 1.00 10.00 H new ATOM 560 N PHE A 35 9.033 0.049 -4.466 1.00 10.00 N ATOM 561 CA PHE A 35 9.243 -0.732 -3.264 1.00 10.00 C ATOM 562 C PHE A 35 8.926 -2.198 -3.513 1.00 10.00 C ATOM 563 O PHE A 35 9.437 -3.067 -2.822 1.00 10.00 O ATOM 564 CB PHE A 35 8.332 -0.218 -2.147 1.00 10.00 C ATOM 565 CG PHE A 35 8.697 -0.772 -0.790 1.00 10.00 C ATOM 566 CD1 PHE A 35 9.998 -0.587 -0.282 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.793 -1.606 -0.112 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.413 -1.294 0.857 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.214 -2.314 1.020 1.00 10.00 C ATOM 570 CZ PHE A 35 9.542 -2.204 1.471 1.00 10.00 C ATOM 0 H PHE A 35 8.188 0.620 -4.432 1.00 10.00 H new ATOM 0 HA PHE A 35 10.289 -0.634 -2.973 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.383 0.870 -2.115 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.300 -0.482 -2.376 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.676 0.099 -0.769 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.776 -1.701 -0.463 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.403 -1.137 1.260 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.517 -2.947 1.549 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.889 -2.819 2.288 1.00 10.00 H new ATOM 580 N LEU A 36 8.054 -2.474 -4.482 1.00 10.00 N ATOM 581 CA LEU A 36 7.642 -3.821 -4.837 1.00 10.00 C ATOM 582 C LEU A 36 8.853 -4.739 -5.037 1.00 10.00 C ATOM 583 O LEU A 36 8.831 -5.897 -4.629 1.00 10.00 O ATOM 584 CB LEU A 36 6.803 -3.741 -6.115 1.00 10.00 C ATOM 585 CG LEU A 36 5.460 -3.010 -5.999 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.745 -3.184 -7.341 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.583 -3.561 -4.873 1.00 10.00 C ATOM 0 H LEU A 36 7.610 -1.752 -5.049 1.00 10.00 H new ATOM 0 HA LEU A 36 7.051 -4.249 -4.027 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.397 -3.247 -6.884 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.612 -4.756 -6.463 1.00 10.00 H new ATOM 0 HG LEU A 36 5.641 -1.962 -5.760 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.780 -2.679 -7.307 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.353 -2.752 -8.136 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.592 -4.245 -7.537 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.645 -3.006 -4.837 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.374 -4.615 -5.057 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.104 -3.455 -3.921 1.00 10.00 H new ATOM 599 N GLU A 37 9.904 -4.192 -5.654 1.00 10.00 N ATOM 600 CA GLU A 37 11.175 -4.865 -5.876 1.00 10.00 C ATOM 601 C GLU A 37 11.914 -5.050 -4.539 1.00 10.00 C ATOM 602 O GLU A 37 12.252 -6.169 -4.159 1.00 10.00 O ATOM 603 CB GLU A 37 11.959 -4.037 -6.910 1.00 10.00 C ATOM 604 CG GLU A 37 13.042 -4.832 -7.651 1.00 10.00 C ATOM 605 CD GLU A 37 14.291 -5.106 -6.820 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.591 -4.262 -5.949 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.938 -6.136 -7.102 1.00 10.00 O ATOM 0 H GLU A 37 9.888 -3.241 -6.021 1.00 10.00 H new ATOM 0 HA GLU A 37 11.042 -5.870 -6.275 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.260 -3.628 -7.639 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.425 -3.191 -6.405 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.620 -5.782 -7.978 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.329 -4.285 -8.549 1.00 10.00 H new ATOM 614 N GLU A 38 12.120 -3.946 -3.812 1.00 10.00 N ATOM 615 CA GLU A 38 12.846 -3.896 -2.543 1.00 10.00 C ATOM 616 C GLU A 38 12.274 -4.880 -1.514 1.00 10.00 C ATOM 617 O GLU A 38 13.001 -5.532 -0.766 1.00 10.00 O ATOM 618 CB GLU A 38 12.753 -2.461 -1.997 1.00 10.00 C ATOM 619 CG GLU A 38 13.798 -2.150 -0.917 1.00 10.00 C ATOM 620 CD GLU A 38 13.629 -0.741 -0.355 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.238 0.150 -1.139 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.863 -0.588 0.863 1.00 10.00 O ATOM 0 H GLU A 38 11.773 -3.032 -4.103 1.00 10.00 H new ATOM 0 HA GLU A 38 13.883 -4.183 -2.719 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.873 -1.758 -2.821 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.757 -2.301 -1.585 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.713 -2.876 -0.109 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.798 -2.256 -1.337 1.00 10.00 H new ATOM 629 N HIS A 39 10.944 -4.906 -1.430 1.00 10.00 N ATOM 630 CA HIS A 39 10.175 -5.509 -0.362 1.00 10.00 C ATOM 631 C HIS A 39 10.554 -6.982 -0.137 1.00 10.00 C ATOM 632 O HIS A 39 10.355 -7.790 -1.041 1.00 10.00 O ATOM 633 CB HIS A 39 8.687 -5.383 -0.715 1.00 10.00 C ATOM 634 CG HIS A 39 7.815 -5.990 0.349 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.897 -6.996 0.173 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.824 -5.658 1.675 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.347 -7.236 1.377 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.854 -6.422 2.320 1.00 10.00 N ATOM 0 H HIS A 39 10.352 -4.484 -2.145 1.00 10.00 H new ATOM 0 HA HIS A 39 10.393 -4.988 0.570 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.430 -4.331 -0.842 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.495 -5.875 -1.669 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.675 -7.470 -0.702 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.471 -4.930 2.142 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.594 -7.987 1.563 1.00 10.00 H new ATOM 646 N PRO A 40 11.013 -7.378 1.066 1.00 10.00 N ATOM 647 CA PRO A 40 11.306 -8.769 1.397 1.00 10.00 C ATOM 648 C PRO A 40 10.171 -9.746 1.065 1.00 10.00 C ATOM 649 O PRO A 40 10.426 -10.836 0.561 1.00 10.00 O ATOM 650 CB PRO A 40 11.654 -8.771 2.889 1.00 10.00 C ATOM 651 CG PRO A 40 12.271 -7.388 3.079 1.00 10.00 C ATOM 652 CD PRO A 40 11.408 -6.514 2.170 1.00 10.00 C ATOM 0 HA PRO A 40 12.130 -9.133 0.784 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.771 -8.912 3.513 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.354 -9.567 3.143 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.225 -7.062 4.118 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.320 -7.368 2.785 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.536 -6.133 2.703 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.966 -5.649 1.812 1.00 10.00 H new ATOM 660 N GLY A 41 8.915 -9.370 1.330 1.00 10.00 N ATOM 661 CA GLY A 41 7.763 -10.204 0.996 1.00 10.00 C ATOM 662 C GLY A 41 7.491 -10.289 -0.516 1.00 10.00 C ATOM 663 O GLY A 41 6.636 -11.065 -0.935 1.00 10.00 O ATOM 0 H GLY A 41 8.673 -8.486 1.778 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.925 -11.209 1.386 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.879 -9.807 1.495 1.00 10.00 H new ATOM 667 N GLY A 42 8.176 -9.483 -1.336 1.00 10.00 N ATOM 668 CA GLY A 42 7.984 -9.437 -2.779 1.00 10.00 C ATOM 669 C GLY A 42 6.733 -8.653 -3.168 1.00 10.00 C ATOM 670 O GLY A 42 6.007 -8.147 -2.309 1.00 10.00 O ATOM 0 H GLY A 42 8.890 -8.835 -1.003 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.857 -8.981 -3.246 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.910 -10.453 -3.167 1.00 10.00 H new ATOM 674 N GLU A 43 6.512 -8.550 -4.482 1.00 10.00 N ATOM 675 CA GLU A 43 5.401 -7.835 -5.089 1.00 10.00 C ATOM 676 C GLU A 43 4.107 -8.636 -4.962 1.00 10.00 C ATOM 677 O GLU A 43 3.084 -8.093 -4.550 1.00 10.00 O ATOM 678 CB GLU A 43 5.750 -7.527 -6.558 1.00 10.00 C ATOM 679 CG GLU A 43 4.544 -7.032 -7.370 1.00 10.00 C ATOM 680 CD GLU A 43 4.905 -6.564 -8.781 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.041 -6.082 -8.954 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.010 -6.658 -9.654 1.00 10.00 O ATOM 0 H GLU A 43 7.128 -8.980 -5.172 1.00 10.00 H new ATOM 0 HA GLU A 43 5.236 -6.893 -4.567 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.536 -6.772 -6.588 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.152 -8.425 -7.026 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.810 -7.834 -7.439 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.069 -6.210 -6.834 1.00 10.00 H new ATOM 689 N GLU A 44 4.133 -9.914 -5.345 1.00 10.00 N ATOM 690 CA GLU A 44 2.937 -10.735 -5.486 1.00 10.00 C ATOM 691 C GLU A 44 2.018 -10.608 -4.266 1.00 10.00 C ATOM 692 O GLU A 44 0.853 -10.237 -4.397 1.00 10.00 O ATOM 693 CB GLU A 44 3.336 -12.191 -5.751 1.00 10.00 C ATOM 694 CG GLU A 44 4.173 -12.330 -7.032 1.00 10.00 C ATOM 695 CD GLU A 44 4.431 -13.795 -7.356 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.991 -14.473 -6.470 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.058 -14.207 -8.475 1.00 10.00 O ATOM 0 H GLU A 44 4.996 -10.410 -5.568 1.00 10.00 H new ATOM 0 HA GLU A 44 2.365 -10.374 -6.341 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.904 -12.572 -4.903 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.439 -12.804 -5.835 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.653 -11.855 -7.864 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.122 -11.808 -6.910 1.00 10.00 H new ATOM 704 N VAL A 45 2.562 -10.866 -3.074 1.00 10.00 N ATOM 705 CA VAL A 45 1.799 -10.825 -1.831 1.00 10.00 C ATOM 706 C VAL A 45 1.227 -9.424 -1.558 1.00 10.00 C ATOM 707 O VAL A 45 0.163 -9.297 -0.957 1.00 10.00 O ATOM 708 CB VAL A 45 2.655 -11.381 -0.677 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.674 -10.364 -0.149 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.780 -11.876 0.479 1.00 10.00 C ATOM 0 H VAL A 45 3.544 -11.109 -2.947 1.00 10.00 H new ATOM 0 HA VAL A 45 0.926 -11.470 -1.923 1.00 10.00 H new ATOM 0 HB VAL A 45 3.209 -12.221 -1.096 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.248 -10.812 0.662 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.349 -10.074 -0.954 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.150 -9.482 0.220 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.415 -12.262 1.277 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.180 -11.050 0.861 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.122 -12.669 0.124 1.00 10.00 H new ATOM 720 N LEU A 46 1.905 -8.364 -2.009 1.00 10.00 N ATOM 721 CA LEU A 46 1.376 -7.009 -1.929 1.00 10.00 C ATOM 722 C LEU A 46 0.228 -6.864 -2.916 1.00 10.00 C ATOM 723 O LEU A 46 -0.838 -6.382 -2.553 1.00 10.00 O ATOM 724 CB LEU A 46 2.481 -5.972 -2.198 1.00 10.00 C ATOM 725 CG LEU A 46 3.251 -5.562 -0.937 1.00 10.00 C ATOM 726 CD1 LEU A 46 3.542 -6.728 -0.001 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.589 -4.920 -1.315 1.00 10.00 C ATOM 0 H LEU A 46 2.829 -8.425 -2.436 1.00 10.00 H new ATOM 0 HA LEU A 46 1.002 -6.824 -0.922 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.182 -6.380 -2.926 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.035 -5.085 -2.647 1.00 10.00 H new ATOM 0 HG LEU A 46 2.605 -4.857 -0.414 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.089 -6.367 0.870 1.00 10.00 H new ATOM 0 HD12 LEU A 46 2.603 -7.179 0.321 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.142 -7.473 -0.523 1.00 10.00 H new ATOM 0 HD21 LEU A 46 5.124 -4.634 -0.409 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.188 -5.634 -1.881 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.408 -4.035 -1.924 1.00 10.00 H new ATOM 739 N ARG A 47 0.426 -7.268 -4.167 1.00 10.00 N ATOM 740 CA ARG A 47 -0.536 -7.001 -5.224 1.00 10.00 C ATOM 741 C ARG A 47 -1.828 -7.795 -5.061 1.00 10.00 C ATOM 742 O ARG A 47 -2.907 -7.286 -5.352 1.00 10.00 O ATOM 743 CB ARG A 47 0.121 -7.159 -6.589 1.00 10.00 C ATOM 744 CG ARG A 47 0.948 -5.893 -6.843 1.00 10.00 C ATOM 745 CD ARG A 47 1.535 -5.893 -8.246 1.00 10.00 C ATOM 746 NE ARG A 47 0.515 -5.599 -9.258 1.00 10.00 N ATOM 747 CZ ARG A 47 0.600 -5.975 -10.538 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.718 -6.530 -11.018 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.467 -5.773 -11.317 1.00 10.00 N ATOM 0 H ARG A 47 1.251 -7.785 -4.472 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.853 -5.961 -5.144 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.756 -8.044 -6.610 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.632 -7.289 -7.366 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.320 -5.012 -6.708 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.752 -5.827 -6.110 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.333 -5.153 -8.307 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.984 -6.864 -8.453 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.310 -5.075 -8.967 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.521 -6.672 -10.405 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.768 -6.812 -11.997 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.308 -5.345 -10.929 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.440 -6.047 -12.299 1.00 10.00 H new ATOM 763 N GLU A 48 -1.708 -8.999 -4.513 1.00 10.00 N ATOM 764 CA GLU A 48 -2.790 -9.783 -3.926 1.00 10.00 C ATOM 765 C GLU A 48 -3.721 -8.937 -3.032 1.00 10.00 C ATOM 766 O GLU A 48 -4.891 -9.268 -2.851 1.00 10.00 O ATOM 767 CB GLU A 48 -2.112 -10.895 -3.118 1.00 10.00 C ATOM 768 CG GLU A 48 -3.057 -11.905 -2.444 1.00 10.00 C ATOM 769 CD GLU A 48 -3.871 -12.734 -3.433 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.430 -12.843 -4.598 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.911 -13.269 -2.994 1.00 10.00 O ATOM 0 H GLU A 48 -0.809 -9.479 -4.463 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.435 -10.183 -4.708 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.440 -11.441 -3.780 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.495 -10.433 -2.347 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.470 -12.576 -1.817 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.739 -11.368 -1.785 1.00 10.00 H new ATOM 778 N GLN A 49 -3.203 -7.878 -2.402 1.00 10.00 N ATOM 779 CA GLN A 49 -3.954 -6.984 -1.523 1.00 10.00 C ATOM 780 C GLN A 49 -4.152 -5.594 -2.133 1.00 10.00 C ATOM 781 O GLN A 49 -5.081 -4.878 -1.764 1.00 10.00 O ATOM 782 CB GLN A 49 -3.192 -6.866 -0.202 1.00 10.00 C ATOM 783 CG GLN A 49 -2.938 -8.219 0.483 1.00 10.00 C ATOM 784 CD GLN A 49 -4.204 -8.914 0.978 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.435 -8.968 2.183 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.015 -9.482 0.088 1.00 10.00 N ATOM 0 H GLN A 49 -2.222 -7.614 -2.494 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.948 -7.404 -1.370 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.236 -6.376 -0.386 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.754 -6.224 0.476 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.425 -8.878 -0.217 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.266 -8.066 1.328 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.801 -9.423 -0.908 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.850 -9.976 0.402 1.00 10.00 H new ATOM 795 N ALA A 50 -3.237 -5.191 -3.012 1.00 10.00 N ATOM 796 CA ALA A 50 -3.181 -3.852 -3.574 1.00 10.00 C ATOM 797 C ALA A 50 -4.480 -3.440 -4.254 1.00 10.00 C ATOM 798 O ALA A 50 -5.233 -4.266 -4.766 1.00 10.00 O ATOM 799 CB ALA A 50 -2.039 -3.726 -4.573 1.00 10.00 C ATOM 0 H ALA A 50 -2.499 -5.804 -3.358 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.014 -3.182 -2.730 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.020 -2.714 -4.978 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.093 -3.934 -4.073 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.185 -4.439 -5.384 1.00 10.00 H new ATOM 805 N GLY A 51 -4.723 -2.130 -4.265 1.00 10.00 N ATOM 806 CA GLY A 51 -6.020 -1.577 -4.579 1.00 10.00 C ATOM 807 C GLY A 51 -7.065 -2.210 -3.685 1.00 10.00 C ATOM 808 O GLY A 51 -8.133 -2.638 -4.114 1.00 10.00 O ATOM 0 H GLY A 51 -4.015 -1.427 -4.054 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.011 -0.496 -4.438 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.262 -1.760 -5.626 1.00 10.00 H new ATOM 812 N GLY A 52 -6.728 -2.193 -2.400 1.00 10.00 N ATOM 813 CA GLY A 52 -7.578 -2.551 -1.313 1.00 10.00 C ATOM 814 C GLY A 52 -6.738 -2.317 -0.069 1.00 10.00 C ATOM 815 O GLY A 52 -5.564 -1.928 -0.132 1.00 10.00 O ATOM 0 H GLY A 52 -5.798 -1.910 -2.091 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.482 -1.942 -1.300 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.896 -3.591 -1.386 1.00 10.00 H new ATOM 819 N ASP A 53 -7.377 -2.501 1.068 1.00 10.00 N ATOM 820 CA ASP A 53 -6.760 -2.348 2.366 1.00 10.00 C ATOM 821 C ASP A 53 -5.963 -3.589 2.728 1.00 10.00 C ATOM 822 O ASP A 53 -6.444 -4.713 2.613 1.00 10.00 O ATOM 823 CB ASP A 53 -7.779 -1.966 3.448 1.00 10.00 C ATOM 824 CG ASP A 53 -8.935 -2.934 3.566 1.00 10.00 C ATOM 825 OD1 ASP A 53 -9.677 -3.058 2.567 1.00 10.00 O ATOM 826 OD2 ASP A 53 -9.205 -3.379 4.701 1.00 10.00 O ATOM 0 H ASP A 53 -8.361 -2.767 1.115 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.060 -1.514 2.310 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -7.269 -1.905 4.409 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.170 -0.972 3.231 1.00 10.00 H new ATOM 831 N ALA A 54 -4.728 -3.357 3.175 1.00 10.00 N ATOM 832 CA ALA A 54 -3.853 -4.386 3.709 1.00 10.00 C ATOM 833 C ALA A 54 -3.466 -4.014 5.141 1.00 10.00 C ATOM 834 O ALA A 54 -2.383 -4.361 5.607 1.00 10.00 O ATOM 835 CB ALA A 54 -2.628 -4.515 2.801 1.00 10.00 C ATOM 0 H ALA A 54 -4.306 -2.429 3.173 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.356 -5.353 3.736 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.964 -5.285 3.193 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.948 -4.789 1.796 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.099 -3.563 2.767 1.00 10.00 H new ATOM 841 N THR A 55 -4.341 -3.276 5.831 1.00 10.00 N ATOM 842 CA THR A 55 -4.041 -2.726 7.141 1.00 10.00 C ATOM 843 C THR A 55 -3.806 -3.862 8.140 1.00 10.00 C ATOM 844 O THR A 55 -2.736 -3.953 8.741 1.00 10.00 O ATOM 845 CB THR A 55 -5.169 -1.777 7.585 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.435 -0.776 6.615 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.767 -1.061 8.876 1.00 10.00 C ATOM 0 H THR A 55 -5.275 -3.048 5.490 1.00 10.00 H new ATOM 0 HA THR A 55 -3.124 -2.138 7.096 1.00 10.00 H new ATOM 0 HB THR A 55 -6.059 -2.390 7.726 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.015 -1.024 5.765 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.569 -0.391 9.185 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.587 -1.797 9.659 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.858 -0.484 8.704 1.00 10.00 H new ATOM 855 N GLU A 56 -4.800 -4.742 8.296 1.00 10.00 N ATOM 856 CA GLU A 56 -4.745 -5.873 9.191 1.00 10.00 C ATOM 857 C GLU A 56 -3.530 -6.700 8.835 1.00 10.00 C ATOM 858 O GLU A 56 -2.694 -6.942 9.681 1.00 10.00 O ATOM 859 CB GLU A 56 -6.057 -6.660 9.085 1.00 10.00 C ATOM 860 CG GLU A 56 -6.452 -7.187 7.694 1.00 10.00 C ATOM 861 CD GLU A 56 -7.898 -7.671 7.697 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.765 -6.849 8.061 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.105 -8.851 7.345 1.00 10.00 O ATOM 0 H GLU A 56 -5.681 -4.675 7.786 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.644 -5.562 10.231 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.996 -7.511 9.764 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.864 -6.022 9.446 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -6.328 -6.399 6.951 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.790 -8.003 7.406 1.00 10.00 H new ATOM 870 N ASN A 57 -3.424 -7.054 7.560 1.00 10.00 N ATOM 871 CA ASN A 57 -2.345 -7.860 6.999 1.00 10.00 C ATOM 872 C ASN A 57 -0.954 -7.316 7.379 1.00 10.00 C ATOM 873 O ASN A 57 -0.075 -8.054 7.834 1.00 10.00 O ATOM 874 CB ASN A 57 -2.542 -7.936 5.478 1.00 10.00 C ATOM 875 CG ASN A 57 -1.740 -9.071 4.858 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.663 -9.406 5.331 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.257 -9.690 3.802 1.00 10.00 N ATOM 0 H ASN A 57 -4.113 -6.777 6.861 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.386 -8.864 7.421 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.600 -8.075 5.255 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.243 -6.991 5.025 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.754 -10.463 3.367 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.157 -9.392 3.426 1.00 10.00 H new ATOM 884 N PHE A 58 -0.748 -6.008 7.204 1.00 10.00 N ATOM 885 CA PHE A 58 0.491 -5.331 7.570 1.00 10.00 C ATOM 886 C PHE A 58 0.805 -5.535 9.058 1.00 10.00 C ATOM 887 O PHE A 58 1.917 -5.935 9.414 1.00 10.00 O ATOM 888 CB PHE A 58 0.367 -3.845 7.215 1.00 10.00 C ATOM 889 CG PHE A 58 1.592 -3.004 7.512 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.691 -3.027 6.634 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.582 -2.102 8.592 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.734 -2.095 6.785 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.635 -1.185 8.757 1.00 10.00 C ATOM 894 CZ PHE A 58 3.701 -1.166 7.840 1.00 10.00 C ATOM 0 H PHE A 58 -1.447 -5.385 6.799 1.00 10.00 H new ATOM 0 HA PHE A 58 1.324 -5.758 7.011 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.137 -3.760 6.153 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.480 -3.428 7.759 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.734 -3.761 5.843 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.763 -2.114 9.296 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.561 -2.093 6.090 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.625 -0.495 9.588 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.493 -0.439 7.946 1.00 10.00 H new ATOM 904 N GLU A 59 -0.178 -5.276 9.921 1.00 10.00 N ATOM 905 CA GLU A 59 -0.033 -5.423 11.363 1.00 10.00 C ATOM 906 C GLU A 59 0.156 -6.882 11.780 1.00 10.00 C ATOM 907 O GLU A 59 0.906 -7.179 12.705 1.00 10.00 O ATOM 908 CB GLU A 59 -1.266 -4.827 12.045 1.00 10.00 C ATOM 909 CG GLU A 59 -1.403 -3.318 11.794 1.00 10.00 C ATOM 910 CD GLU A 59 -0.247 -2.532 12.386 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.848 -2.521 11.787 1.00 10.00 O ATOM 912 OE2 GLU A 59 -0.417 -1.925 13.463 1.00 10.00 O ATOM 0 H GLU A 59 -1.103 -4.956 9.633 1.00 10.00 H new ATOM 0 HA GLU A 59 0.865 -4.890 11.675 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.159 -5.335 11.682 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.208 -5.010 13.118 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.455 -3.133 10.721 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.340 -2.963 12.224 1.00 10.00 H new ATOM 919 N ASP A 60 -0.513 -7.786 11.077 1.00 10.00 N ATOM 920 CA ASP A 60 -0.500 -9.223 11.274 1.00 10.00 C ATOM 921 C ASP A 60 0.934 -9.724 11.100 1.00 10.00 C ATOM 922 O ASP A 60 1.462 -10.469 11.922 1.00 10.00 O ATOM 923 CB ASP A 60 -1.466 -9.854 10.259 1.00 10.00 C ATOM 924 CG ASP A 60 -1.642 -11.337 10.542 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.384 -11.649 11.497 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.027 -12.128 9.795 1.00 10.00 O ATOM 0 H ASP A 60 -1.119 -7.513 10.303 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.830 -9.501 12.275 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.432 -9.352 10.307 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.083 -9.714 9.248 1.00 10.00 H new ATOM 931 N HIS A 61 1.598 -9.210 10.060 1.00 10.00 N ATOM 932 CA HIS A 61 3.018 -9.427 9.806 1.00 10.00 C ATOM 933 C HIS A 61 3.939 -8.670 10.780 1.00 10.00 C ATOM 934 O HIS A 61 5.153 -8.850 10.723 1.00 10.00 O ATOM 935 CB HIS A 61 3.318 -9.036 8.357 1.00 10.00 C ATOM 936 CG HIS A 61 2.849 -10.054 7.353 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.566 -10.200 6.879 1.00 10.00 N ATOM 938 CD2 HIS A 61 3.624 -11.018 6.770 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.574 -11.243 6.030 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.807 -11.765 5.917 1.00 10.00 N ATOM 0 H HIS A 61 1.150 -8.620 9.359 1.00 10.00 H new ATOM 0 HA HIS A 61 3.229 -10.484 9.971 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.843 -8.079 8.141 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.392 -8.892 8.242 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.760 -9.625 7.125 1.00 10.00 H new ATOM 0 HD2 HIS A 61 4.679 -11.174 6.939 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.704 -11.612 5.508 1.00 10.00 H new ATOM 948 N GLY A 62 3.402 -7.824 11.666 1.00 10.00 N ATOM 949 CA GLY A 62 4.169 -7.127 12.691 1.00 10.00 C ATOM 950 C GLY A 62 5.238 -6.205 12.105 1.00 10.00 C ATOM 951 O GLY A 62 6.365 -6.173 12.593 1.00 10.00 O ATOM 0 H GLY A 62 2.406 -7.604 11.687 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.490 -6.541 13.311 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.645 -7.859 13.343 1.00 10.00 H new ATOM 955 N HIS A 63 4.882 -5.446 11.066 1.00 10.00 N ATOM 956 CA HIS A 63 5.843 -4.630 10.334 1.00 10.00 C ATOM 957 C HIS A 63 6.519 -3.560 11.198 1.00 10.00 C ATOM 958 O HIS A 63 5.845 -2.844 11.949 1.00 10.00 O ATOM 959 CB HIS A 63 5.160 -4.006 9.122 1.00 10.00 C ATOM 960 CG HIS A 63 5.112 -4.960 7.965 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.152 -5.909 7.731 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.994 -4.994 6.924 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.430 -6.478 6.544 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.541 -5.943 6.005 1.00 10.00 N ATOM 0 H HIS A 63 3.927 -5.382 10.714 1.00 10.00 H new ATOM 0 HA HIS A 63 6.646 -5.290 10.007 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.147 -3.705 9.389 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.694 -3.102 8.828 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.370 -6.141 8.344 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.886 -4.393 6.828 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.841 -7.259 6.086 1.00 10.00 H new ATOM 972 N SER A 64 7.848 -3.467 11.051 1.00 10.00 N ATOM 973 CA SER A 64 8.774 -2.703 11.879 1.00 10.00 C ATOM 974 C SER A 64 8.492 -1.201 11.913 1.00 10.00 C ATOM 975 O SER A 64 7.745 -0.670 11.097 1.00 10.00 O ATOM 976 CB SER A 64 10.187 -2.913 11.320 1.00 10.00 C ATOM 977 OG SER A 64 10.232 -2.423 9.992 1.00 10.00 O ATOM 0 H SER A 64 8.330 -3.959 10.299 1.00 10.00 H new ATOM 0 HA SER A 64 8.660 -3.064 12.901 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.918 -2.393 11.939 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.447 -3.971 11.340 1.00 10.00 H new ATOM 0 HG SER A 64 10.761 -3.032 9.436 1.00 10.00 H new ATOM 983 N THR A 65 9.184 -0.511 12.825 1.00 10.00 N ATOM 984 CA THR A 65 9.418 0.927 12.840 1.00 10.00 C ATOM 985 C THR A 65 9.851 1.440 11.469 1.00 10.00 C ATOM 986 O THR A 65 9.392 2.476 10.995 1.00 10.00 O ATOM 987 CB THR A 65 10.546 1.163 13.862 1.00 10.00 C ATOM 988 OG1 THR A 65 11.414 0.033 13.899 1.00 10.00 O ATOM 989 CG2 THR A 65 9.950 1.320 15.262 1.00 10.00 C ATOM 0 H THR A 65 9.621 -0.976 13.621 1.00 10.00 H new ATOM 0 HA THR A 65 8.503 1.459 13.102 1.00 10.00 H new ATOM 0 HB THR A 65 11.091 2.059 13.567 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.094 0.120 13.199 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.751 1.487 15.982 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.269 2.171 15.274 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.405 0.415 15.529 1.00 10.00 H new ATOM 997 N ASP A 66 10.764 0.714 10.848 1.00 10.00 N ATOM 998 CA ASP A 66 11.422 1.073 9.616 1.00 10.00 C ATOM 999 C ASP A 66 10.384 1.021 8.495 1.00 10.00 C ATOM 1000 O ASP A 66 10.209 1.980 7.745 1.00 10.00 O ATOM 1001 CB ASP A 66 12.599 0.101 9.419 1.00 10.00 C ATOM 1002 CG ASP A 66 13.479 -0.013 10.668 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.920 -0.392 11.730 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.681 0.302 10.550 1.00 10.00 O ATOM 0 H ASP A 66 11.078 -0.186 11.212 1.00 10.00 H new ATOM 0 HA ASP A 66 11.831 2.083 9.624 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.213 -0.885 9.159 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.207 0.437 8.579 1.00 10.00 H new ATOM 1009 N ALA A 67 9.634 -0.082 8.437 1.00 10.00 N ATOM 1010 CA ALA A 67 8.531 -0.289 7.522 1.00 10.00 C ATOM 1011 C ALA A 67 7.471 0.787 7.747 1.00 10.00 C ATOM 1012 O ALA A 67 6.965 1.365 6.793 1.00 10.00 O ATOM 1013 CB ALA A 67 7.951 -1.690 7.723 1.00 10.00 C ATOM 0 H ALA A 67 9.792 -0.880 9.053 1.00 10.00 H new ATOM 0 HA ALA A 67 8.883 -0.212 6.493 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.121 -1.843 7.033 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.724 -2.435 7.532 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.594 -1.793 8.748 1.00 10.00 H new ATOM 1019 N ARG A 68 7.149 1.067 9.009 1.00 10.00 N ATOM 1020 CA ARG A 68 6.325 2.192 9.438 1.00 10.00 C ATOM 1021 C ARG A 68 6.785 3.478 8.734 1.00 10.00 C ATOM 1022 O ARG A 68 6.027 4.083 7.976 1.00 10.00 O ATOM 1023 CB ARG A 68 6.431 2.332 10.971 1.00 10.00 C ATOM 1024 CG ARG A 68 5.152 2.031 11.754 1.00 10.00 C ATOM 1025 CD ARG A 68 5.026 0.538 12.080 1.00 10.00 C ATOM 1026 NE ARG A 68 3.897 0.326 12.993 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.026 -0.689 12.939 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.301 -1.798 12.249 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.863 -0.555 13.582 1.00 10.00 N ATOM 0 H ARG A 68 7.468 0.493 9.790 1.00 10.00 H new ATOM 0 HA ARG A 68 5.283 2.017 9.169 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.217 1.665 11.325 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.747 3.349 11.204 1.00 10.00 H new ATOM 0 HG2 ARG A 68 5.147 2.607 12.679 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.286 2.351 11.174 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.878 -0.033 11.164 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.948 0.176 12.535 1.00 10.00 H new ATOM 0 HE ARG A 68 3.764 1.013 13.735 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.187 -1.882 11.751 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.625 -2.561 12.219 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.660 0.303 14.095 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.178 -1.311 13.560 1.00 10.00 H new ATOM 1043 N GLU A 69 8.031 3.889 8.979 1.00 10.00 N ATOM 1044 CA GLU A 69 8.624 5.100 8.428 1.00 10.00 C ATOM 1045 C GLU A 69 8.470 5.105 6.904 1.00 10.00 C ATOM 1046 O GLU A 69 7.952 6.056 6.312 1.00 10.00 O ATOM 1047 CB GLU A 69 10.093 5.200 8.886 1.00 10.00 C ATOM 1048 CG GLU A 69 10.567 6.652 9.058 1.00 10.00 C ATOM 1049 CD GLU A 69 9.817 7.381 10.165 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.461 6.747 11.185 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.466 8.566 9.973 1.00 10.00 O ATOM 0 H GLU A 69 8.669 3.371 9.583 1.00 10.00 H new ATOM 0 HA GLU A 69 8.108 5.985 8.799 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.211 4.670 9.831 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.731 4.699 8.158 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.634 6.659 9.280 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.434 7.188 8.119 1.00 10.00 H new ATOM 1058 N LEU A 70 8.854 3.994 6.277 1.00 10.00 N ATOM 1059 CA LEU A 70 8.679 3.783 4.851 1.00 10.00 C ATOM 1060 C LEU A 70 7.240 4.064 4.414 1.00 10.00 C ATOM 1061 O LEU A 70 6.993 4.797 3.457 1.00 10.00 O ATOM 1062 CB LEU A 70 9.102 2.348 4.477 1.00 10.00 C ATOM 1063 CG LEU A 70 10.508 2.228 3.865 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.789 3.347 2.855 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.599 2.205 4.937 1.00 10.00 C ATOM 0 H LEU A 70 9.299 3.210 6.755 1.00 10.00 H new ATOM 0 HA LEU A 70 9.318 4.488 4.319 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.056 1.726 5.371 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.378 1.944 3.770 1.00 10.00 H new ATOM 0 HG LEU A 70 10.529 1.275 3.336 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.792 3.225 2.447 1.00 10.00 H new ATOM 0 HD12 LEU A 70 10.060 3.299 2.046 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.715 4.314 3.353 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.576 2.119 4.460 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.558 3.127 5.518 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.442 1.353 5.598 1.00 10.00 H new ATOM 1077 N SER A 71 6.273 3.524 5.148 1.00 10.00 N ATOM 1078 CA SER A 71 4.872 3.716 4.835 1.00 10.00 C ATOM 1079 C SER A 71 4.534 5.203 4.853 1.00 10.00 C ATOM 1080 O SER A 71 3.789 5.662 3.992 1.00 10.00 O ATOM 1081 CB SER A 71 3.998 2.884 5.785 1.00 10.00 C ATOM 1082 OG SER A 71 4.415 1.534 5.807 1.00 10.00 O ATOM 0 H SER A 71 6.442 2.945 5.971 1.00 10.00 H new ATOM 0 HA SER A 71 4.662 3.358 3.827 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.050 3.301 6.791 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.956 2.941 5.470 1.00 10.00 H new ATOM 0 HG SER A 71 5.281 1.467 6.261 1.00 10.00 H new ATOM 1088 N LYS A 72 5.117 5.977 5.775 1.00 10.00 N ATOM 1089 CA LYS A 72 4.862 7.414 5.798 1.00 10.00 C ATOM 1090 C LYS A 72 5.234 8.011 4.448 1.00 10.00 C ATOM 1091 O LYS A 72 4.416 8.649 3.792 1.00 10.00 O ATOM 1092 CB LYS A 72 5.643 8.139 6.899 1.00 10.00 C ATOM 1093 CG LYS A 72 5.472 7.485 8.268 1.00 10.00 C ATOM 1094 CD LYS A 72 6.211 8.334 9.309 1.00 10.00 C ATOM 1095 CE LYS A 72 6.327 7.624 10.666 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.397 8.220 11.492 1.00 10.00 N ATOM 0 H LYS A 72 5.753 5.640 6.497 1.00 10.00 H new ATOM 0 HA LYS A 72 3.801 7.550 6.008 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.701 8.156 6.638 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.311 9.176 6.952 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.415 7.410 8.522 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.870 6.470 8.255 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.209 8.571 8.939 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.687 9.281 9.441 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.377 7.689 11.196 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.533 6.565 10.509 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.998 7.465 11.880 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.975 8.855 10.906 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.973 8.760 12.273 1.00 10.00 H new ATOM 1110 N THR A 73 6.475 7.769 4.027 1.00 10.00 N ATOM 1111 CA THR A 73 6.960 8.342 2.775 1.00 10.00 C ATOM 1112 C THR A 73 6.228 7.774 1.554 1.00 10.00 C ATOM 1113 O THR A 73 6.268 8.393 0.492 1.00 10.00 O ATOM 1114 CB THR A 73 8.493 8.291 2.642 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.888 9.212 1.645 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.069 6.925 2.277 1.00 10.00 C ATOM 0 H THR A 73 7.151 7.190 4.525 1.00 10.00 H new ATOM 0 HA THR A 73 6.712 9.403 2.809 1.00 10.00 H new ATOM 0 HB THR A 73 8.884 8.533 3.630 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.190 9.271 0.960 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.155 6.995 2.208 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.800 6.200 3.045 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.664 6.604 1.317 1.00 10.00 H new ATOM 1124 N PHE A 74 5.577 6.613 1.687 1.00 10.00 N ATOM 1125 CA PHE A 74 4.751 6.031 0.636 1.00 10.00 C ATOM 1126 C PHE A 74 3.342 6.623 0.597 1.00 10.00 C ATOM 1127 O PHE A 74 2.615 6.349 -0.358 1.00 10.00 O ATOM 1128 CB PHE A 74 4.661 4.514 0.824 1.00 10.00 C ATOM 1129 CG PHE A 74 5.958 3.728 0.755 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.114 4.245 0.137 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.979 2.422 1.276 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.304 3.500 0.132 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.147 1.650 1.198 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.327 2.216 0.700 1.00 10.00 C ATOM 0 H PHE A 74 5.612 6.050 2.537 1.00 10.00 H new ATOM 0 HA PHE A 74 5.231 6.268 -0.313 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.200 4.320 1.793 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.986 4.119 0.065 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.085 5.217 -0.334 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.093 2.012 1.738 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.200 3.913 -0.308 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.136 0.620 1.522 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.254 1.665 0.753 1.00 10.00 H new ATOM 1144 N ILE A 75 2.919 7.387 1.612 1.00 10.00 N ATOM 1145 CA ILE A 75 1.596 8.021 1.554 1.00 10.00 C ATOM 1146 C ILE A 75 1.454 8.909 0.315 1.00 10.00 C ATOM 1147 O ILE A 75 2.310 9.752 0.055 1.00 10.00 O ATOM 1148 CB ILE A 75 1.244 8.785 2.847 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.863 7.738 3.894 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.061 9.754 2.666 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.879 8.272 5.329 1.00 10.00 C ATOM 0 H ILE A 75 3.454 7.578 2.459 1.00 10.00 H new ATOM 0 HA ILE A 75 0.868 7.214 1.468 1.00 10.00 H new ATOM 0 HB ILE A 75 2.104 9.385 3.142 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.133 7.356 3.668 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.551 6.896 3.821 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.140 10.263 3.609 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.308 10.491 1.902 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.823 9.195 2.359 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.599 7.475 6.017 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.880 8.627 5.574 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.170 9.095 5.419 1.00 10.00 H new ATOM 1163 N ILE A 76 0.343 8.750 -0.417 1.00 10.00 N ATOM 1164 CA ILE A 76 0.036 9.543 -1.609 1.00 10.00 C ATOM 1165 C ILE A 76 -1.315 10.266 -1.534 1.00 10.00 C ATOM 1166 O ILE A 76 -1.614 11.094 -2.404 1.00 10.00 O ATOM 1167 CB ILE A 76 0.154 8.673 -2.876 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.742 7.413 -2.870 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.617 8.284 -3.111 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -2.163 7.740 -3.304 1.00 10.00 C ATOM 0 H ILE A 76 -0.374 8.059 -0.194 1.00 10.00 H new ATOM 0 HA ILE A 76 0.780 10.338 -1.660 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.211 9.289 -3.698 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.320 6.662 -3.537 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -0.756 6.979 -1.870 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.690 7.669 -4.008 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.217 9.185 -3.238 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.986 7.720 -2.254 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -2.766 6.832 -3.289 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.593 8.473 -2.621 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -2.150 8.150 -4.314 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.149 9.954 -0.537 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.536 10.415 -0.483 1.00 10.00 C ATOM 1184 C GLY A 77 -4.309 9.475 0.432 1.00 10.00 C ATOM 1185 O GLY A 77 -3.657 8.784 1.220 1.00 10.00 O ATOM 0 H GLY A 77 -1.878 9.373 0.256 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.583 11.437 -0.107 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.975 10.422 -1.481 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.653 9.437 0.369 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.419 8.733 1.378 1.00 10.00 C ATOM 1191 C GLU A 78 -7.623 7.998 0.789 1.00 10.00 C ATOM 1192 O GLU A 78 -8.025 8.279 -0.331 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.895 9.784 2.382 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.774 10.631 2.999 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.367 11.893 2.256 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.927 12.191 1.179 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.456 12.546 2.809 1.00 10.00 O ATOM 0 H GLU A 78 -6.210 9.881 -0.361 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.793 7.973 1.845 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.603 10.448 1.885 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.437 9.282 3.184 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.081 10.916 4.005 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.891 10.000 3.101 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.205 7.086 1.568 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.389 6.294 1.244 1.00 10.00 C ATOM 1206 C LEU A 79 -10.665 7.105 1.413 1.00 10.00 C ATOM 1207 O LEU A 79 -11.082 7.352 2.541 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.458 5.105 2.208 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.672 4.223 1.890 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.387 3.349 0.673 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.055 3.390 3.105 1.00 10.00 C ATOM 0 H LEU A 79 -7.841 6.869 2.496 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.310 5.971 0.206 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.544 4.516 2.134 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.522 5.465 3.235 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.522 4.861 1.647 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.257 2.728 0.459 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.173 3.982 -0.188 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.527 2.711 0.877 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.918 2.770 2.863 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.217 2.752 3.388 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.304 4.051 3.935 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.299 7.514 0.316 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.441 8.400 0.423 1.00 10.00 C ATOM 1225 C HIS A 80 -13.575 7.825 1.282 1.00 10.00 C ATOM 1226 O HIS A 80 -14.185 6.855 0.858 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.969 8.763 -0.961 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.962 9.881 -0.867 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.306 9.762 -0.595 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.591 11.161 -0.574 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.729 10.956 -0.142 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.718 11.840 -0.105 1.00 10.00 N ATOM 0 H HIS A 80 -11.044 7.249 -0.635 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.084 9.297 0.929 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.142 9.057 -1.607 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.436 7.891 -1.419 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.600 11.576 -0.685 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.745 11.175 0.152 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.764 12.811 0.203 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.939 8.431 2.424 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.805 7.824 3.428 1.00 10.00 C ATOM 1242 C PRO A 81 -16.196 7.379 3.042 1.00 10.00 C ATOM 1243 O PRO A 81 -16.869 6.716 3.828 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.047 8.936 4.434 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.748 9.729 4.428 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.371 9.662 2.954 1.00 10.00 C ATOM 0 HA PRO A 81 -14.286 6.914 3.728 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.895 9.557 4.146 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.266 8.537 5.424 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.889 10.754 4.771 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.988 9.280 5.068 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.759 10.528 2.417 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.288 9.670 2.832 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.650 7.777 1.863 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.840 7.178 1.291 1.00 10.00 C ATOM 1256 C ASP A 82 -17.694 5.648 1.317 1.00 10.00 C ATOM 1257 O ASP A 82 -18.659 4.915 1.517 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.035 7.718 -0.130 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.323 7.195 -0.749 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.392 7.654 -0.295 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.205 6.386 -1.693 1.00 10.00 O ATOM 0 H ASP A 82 -16.217 8.503 1.292 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.726 7.436 1.871 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.056 8.808 -0.107 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.187 7.429 -0.751 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.440 5.197 1.190 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.972 3.858 1.455 1.00 10.00 C ATOM 1268 C ASP A 83 -16.342 3.361 2.862 1.00 10.00 C ATOM 1269 O ASP A 83 -17.160 2.454 3.013 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.450 3.893 1.246 1.00 10.00 C ATOM 1271 CG ASP A 83 -13.934 2.501 0.902 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.415 1.523 1.510 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.071 2.428 0.008 1.00 10.00 O ATOM 0 H ASP A 83 -15.686 5.809 0.878 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.453 3.149 0.782 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.202 4.589 0.445 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.960 4.258 2.149 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.707 3.929 3.894 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.652 3.401 5.248 1.00 10.00 C ATOM 1280 C ARG A 84 -14.839 4.348 6.112 1.00 10.00 C ATOM 1281 O ARG A 84 -14.109 5.175 5.521 1.00 10.00 O ATOM 1282 CB ARG A 84 -15.056 1.981 5.284 1.00 10.00 C ATOM 1283 CG ARG A 84 -13.707 1.890 4.555 1.00 10.00 C ATOM 1284 CD ARG A 84 -13.397 0.494 4.004 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.788 -0.402 4.997 1.00 10.00 N ATOM 1286 CZ ARG A 84 -11.986 -1.429 4.660 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -11.853 -1.766 3.372 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -11.320 -2.094 5.607 1.00 10.00 N ATOM 1289 OXT ARG A 84 -14.940 4.195 7.351 1.00 10.00 O ATOM 0 H ARG A 84 -15.198 4.807 3.796 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.668 3.326 5.637 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.926 1.671 6.321 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.759 1.284 4.828 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.700 2.605 3.733 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -12.913 2.185 5.241 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.319 0.044 3.636 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.726 0.589 3.151 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.982 -0.238 5.985 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.357 -1.246 2.654 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.247 -2.543 3.108 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -11.419 -1.824 6.586 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.712 -2.872 5.352 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.274 -6.175 4.193 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.803 -8.202 5.449 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.321 -3.389 4.591 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.661 -4.153 3.220 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.297 -9.024 3.682 1.00 10.00 C HETATM 1309 NA HEM A 201 8.216 -5.856 4.864 1.00 10.00 N HETATM 1310 C1A HEM A 201 9.036 -6.827 5.361 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.215 -6.167 5.874 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.136 -4.840 5.516 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.826 -4.635 4.952 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.180 -3.773 5.750 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.178 -6.764 6.875 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.558 -6.802 8.281 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.273 -5.396 8.807 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.236 -4.600 8.835 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.112 -5.119 9.181 1.00 10.00 O HETATM 1320 NB HEM A 201 6.050 -4.162 3.912 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.026 -3.212 4.113 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.468 -1.928 3.767 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.179 -2.167 3.364 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.895 -3.570 3.498 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.144 -0.595 3.942 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.345 -1.253 2.498 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.743 -0.175 3.034 1.00 10.00 C HETATM 1328 NC HEM A 201 4.327 -6.520 3.594 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.429 -5.524 3.301 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.146 -6.144 3.085 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.362 -7.500 3.136 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.735 -7.755 3.488 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.829 -5.440 2.883 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.296 -8.564 3.004 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.434 -8.563 1.966 1.00 10.00 C HETATM 1336 ND HEM A 201 6.521 -8.253 4.478 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.598 -9.213 4.155 1.00 10.00 C HETATM 1338 C2D HEM A 201 6.214 -10.498 4.405 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.463 -10.258 4.927 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.649 -8.828 4.975 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.635 -11.870 4.143 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.479 -11.302 5.323 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.544 -11.523 6.835 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.761 -12.375 7.170 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.874 -11.816 7.079 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.556 -13.567 7.483 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.068 -2.985 5.006 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.174 -4.212 5.666 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.052 -3.351 6.747 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 7.822 -0.640 4.794 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.392 0.174 4.117 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.708 -0.352 3.042 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.838 -4.491 3.419 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.021 -6.064 3.264 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.675 -5.255 1.820 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.550 -11.831 4.238 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 6.037 -12.579 4.867 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.900 -12.190 3.135 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.142 0.482 2.406 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 3.857 0.041 4.096 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.327 -9.339 1.889 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.499 -7.786 1.204 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.234 -7.317 8.964 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.632 -7.377 8.256 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.097 -6.178 6.895 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.450 -7.773 6.566 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.635 -12.015 7.181 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.604 -10.565 7.351 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.462 -11.001 4.962 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 8.235 -12.244 4.833 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.561 -8.817 5.911 1.00 10.00 H new HETATM 0 HHB HEM A 201 8.961 -2.524 4.686 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.844 -3.510 2.927 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.698 -9.894 3.456 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.230 -1.467 1.435 1.00 10.00 H new HETATM 0 HAC HEM A 201 1.223 -9.345 3.760 1.00 10.00 H new