USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 THR OG1 : rot -61:sc= 0.0378 USER MOD Set 1.2: A 96 GLN : amide:sc= -0.231 X(o=-0.19,f=0.2) USER MOD Single : A 9 MET CE :methyl 146:sc= -0.107 (180deg=-1.4) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0631 USER MOD Single : A 14 THR OG1 : rot 79:sc= 0.495 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0023 X(o=-0.0023,f=-0.11) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.77! C(o=-4.8!,f=-7.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 177:sc= -0.725 USER MOD Single : A 33 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 36 CYS SG : rot -110:sc= -1.95 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0175 X(o=-0.018,f=-0.12) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.58) USER MOD Single : A 49 GLN : amide:sc= -0.0483 X(o=-0.048,f=-0.069) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.576 (180deg=0.252) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0303 X(o=-0.03,f=-0.51) USER MOD Single : A 65 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.4!) USER MOD Single : A 67 LYS NZ :NH3+ 138:sc= 1.24 (180deg=0.961) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.252 X(o=0.25,f=0) USER MOD Single : A 83 THR OG1 : rot -67:sc= 0.0883 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.00038) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 78:sc= 1.44 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -18.321 -14.036 1.042 1.00 0.00 N ATOM 2 CA MET A 9 -17.914 -12.682 0.567 1.00 0.00 C ATOM 3 C MET A 9 -16.917 -12.766 -0.596 1.00 0.00 C ATOM 4 O MET A 9 -16.076 -11.883 -0.766 1.00 0.00 O ATOM 5 CB MET A 9 -17.290 -11.918 1.742 1.00 0.00 C ATOM 6 CG MET A 9 -17.140 -10.421 1.496 1.00 0.00 C ATOM 7 SD MET A 9 -15.429 -9.863 1.620 1.00 0.00 S ATOM 8 CE MET A 9 -15.388 -9.270 3.309 1.00 0.00 C ATOM 0 HA MET A 9 -18.797 -12.159 0.199 1.00 0.00 H new ATOM 0 HB2 MET A 9 -17.905 -12.071 2.629 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.309 -12.341 1.957 1.00 0.00 H new ATOM 0 HG2 MET A 9 -17.526 -10.179 0.506 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.749 -9.876 2.217 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.403 -9.458 3.737 1.00 0.00 H new ATOM 0 HE2 MET A 9 -15.592 -8.199 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 9 -16.144 -9.791 3.896 1.00 0.00 H new ATOM 18 N SER A 10 -17.022 -13.827 -1.401 1.00 0.00 N ATOM 19 CA SER A 10 -16.128 -14.011 -2.546 1.00 0.00 C ATOM 20 C SER A 10 -16.253 -12.853 -3.537 1.00 0.00 C ATOM 21 O SER A 10 -15.300 -12.537 -4.250 1.00 0.00 O ATOM 22 CB SER A 10 -16.421 -15.332 -3.259 1.00 0.00 C ATOM 23 OG SER A 10 -17.795 -15.673 -3.165 1.00 0.00 O ATOM 0 H SER A 10 -17.713 -14.567 -1.282 1.00 0.00 H new ATOM 0 HA SER A 10 -15.108 -14.033 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 10 -16.134 -15.253 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.816 -16.126 -2.822 1.00 0.00 H new ATOM 0 HG SER A 10 -17.954 -16.520 -3.631 1.00 0.00 H new ATOM 29 N ALA A 11 -17.430 -12.224 -3.572 1.00 0.00 N ATOM 30 CA ALA A 11 -17.680 -11.101 -4.472 1.00 0.00 C ATOM 31 C ALA A 11 -16.611 -10.018 -4.328 1.00 0.00 C ATOM 32 O ALA A 11 -16.273 -9.341 -5.298 1.00 0.00 O ATOM 33 CB ALA A 11 -19.064 -10.515 -4.220 1.00 0.00 C ATOM 0 H ALA A 11 -18.225 -12.476 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.636 -11.479 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -19.234 -9.679 -4.899 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -19.820 -11.281 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -19.129 -10.165 -3.190 1.00 0.00 H new ATOM 39 N PHE A 12 -16.081 -9.863 -3.116 1.00 0.00 N ATOM 40 CA PHE A 12 -15.047 -8.869 -2.850 1.00 0.00 C ATOM 41 C PHE A 12 -13.650 -9.494 -2.909 1.00 0.00 C ATOM 42 O PHE A 12 -12.698 -8.850 -3.352 1.00 0.00 O ATOM 43 CB PHE A 12 -15.273 -8.216 -1.483 1.00 0.00 C ATOM 44 CG PHE A 12 -16.073 -6.944 -1.548 1.00 0.00 C ATOM 45 CD1 PHE A 12 -15.466 -5.747 -1.896 1.00 0.00 C ATOM 46 CD2 PHE A 12 -17.430 -6.945 -1.259 1.00 0.00 C ATOM 47 CE1 PHE A 12 -16.196 -4.576 -1.955 1.00 0.00 C ATOM 48 CE2 PHE A 12 -18.163 -5.774 -1.316 1.00 0.00 C ATOM 49 CZ PHE A 12 -17.546 -4.588 -1.664 1.00 0.00 C ATOM 0 H PHE A 12 -16.352 -10.415 -2.302 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.111 -8.104 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.785 -8.924 -0.832 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -14.306 -8.004 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.410 -5.730 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.918 -7.869 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.711 -3.651 -2.229 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.219 -5.787 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.118 -3.673 -1.708 1.00 0.00 H new ATOM 59 N VAL A 13 -13.532 -10.747 -2.461 1.00 0.00 N ATOM 60 CA VAL A 13 -12.244 -11.446 -2.466 1.00 0.00 C ATOM 61 C VAL A 13 -11.659 -11.513 -3.877 1.00 0.00 C ATOM 62 O VAL A 13 -10.506 -11.137 -4.095 1.00 0.00 O ATOM 63 CB VAL A 13 -12.364 -12.879 -1.899 1.00 0.00 C ATOM 64 CG1 VAL A 13 -10.990 -13.525 -1.777 1.00 0.00 C ATOM 65 CG2 VAL A 13 -13.077 -12.873 -0.553 1.00 0.00 C ATOM 0 H VAL A 13 -14.308 -11.296 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.577 -10.872 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.960 -13.470 -2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.096 -14.533 -1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.522 -13.573 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.367 -12.932 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.149 -13.893 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.515 -12.263 0.154 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.078 -12.459 -0.673 1.00 0.00 H new ATOM 75 N THR A 14 -12.461 -11.988 -4.832 1.00 0.00 N ATOM 76 CA THR A 14 -12.020 -12.097 -6.222 1.00 0.00 C ATOM 77 C THR A 14 -11.635 -10.728 -6.786 1.00 0.00 C ATOM 78 O THR A 14 -10.686 -10.614 -7.558 1.00 0.00 O ATOM 79 CB THR A 14 -13.114 -12.724 -7.092 1.00 0.00 C ATOM 80 OG1 THR A 14 -13.772 -13.771 -6.402 1.00 0.00 O ATOM 81 CG2 THR A 14 -12.588 -13.291 -8.394 1.00 0.00 C ATOM 0 H THR A 14 -13.417 -12.303 -4.668 1.00 0.00 H new ATOM 0 HA THR A 14 -11.141 -12.741 -6.238 1.00 0.00 H new ATOM 0 HB THR A 14 -13.803 -11.910 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.419 -13.391 -5.772 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.412 -13.720 -8.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.121 -12.496 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.851 -14.066 -8.182 1.00 0.00 H new ATOM 89 N LYS A 15 -12.375 -9.692 -6.387 1.00 0.00 N ATOM 90 CA LYS A 15 -12.103 -8.334 -6.851 1.00 0.00 C ATOM 91 C LYS A 15 -10.748 -7.841 -6.342 1.00 0.00 C ATOM 92 O LYS A 15 -10.057 -7.090 -7.030 1.00 0.00 O ATOM 93 CB LYS A 15 -13.213 -7.377 -6.401 1.00 0.00 C ATOM 94 CG LYS A 15 -14.548 -7.622 -7.086 1.00 0.00 C ATOM 95 CD LYS A 15 -14.434 -7.510 -8.597 1.00 0.00 C ATOM 96 CE LYS A 15 -15.805 -7.408 -9.248 1.00 0.00 C ATOM 97 NZ LYS A 15 -15.764 -7.735 -10.700 1.00 0.00 N ATOM 0 H LYS A 15 -13.164 -9.769 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.075 -8.353 -7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.346 -7.470 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.898 -6.352 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.916 -8.613 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.281 -6.902 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.840 -6.633 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.906 -8.379 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.496 -8.084 -8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.194 -6.398 -9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.720 -7.652 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.126 -7.074 -11.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.418 -8.707 -10.827 1.00 0.00 H new ATOM 111 N ALA A 16 -10.370 -8.276 -5.138 1.00 0.00 N ATOM 112 CA ALA A 16 -9.094 -7.883 -4.544 1.00 0.00 C ATOM 113 C ALA A 16 -7.927 -8.442 -5.352 1.00 0.00 C ATOM 114 O ALA A 16 -7.021 -7.702 -5.739 1.00 0.00 O ATOM 115 CB ALA A 16 -9.004 -8.355 -3.099 1.00 0.00 C ATOM 0 H ALA A 16 -10.930 -8.900 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.037 -6.795 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.046 -8.052 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.813 -7.910 -2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.088 -9.441 -3.065 1.00 0.00 H new ATOM 121 N GLU A 17 -7.962 -9.749 -5.608 1.00 0.00 N ATOM 122 CA GLU A 17 -6.909 -10.410 -6.379 1.00 0.00 C ATOM 123 C GLU A 17 -6.854 -9.868 -7.806 1.00 0.00 C ATOM 124 O GLU A 17 -5.779 -9.764 -8.396 1.00 0.00 O ATOM 125 CB GLU A 17 -7.122 -11.927 -6.400 1.00 0.00 C ATOM 126 CG GLU A 17 -8.488 -12.356 -6.918 1.00 0.00 C ATOM 127 CD GLU A 17 -8.601 -13.857 -7.100 1.00 0.00 C ATOM 128 OE1 GLU A 17 -8.624 -14.579 -6.082 1.00 0.00 O ATOM 129 OE2 GLU A 17 -8.664 -14.311 -8.263 1.00 0.00 O ATOM 0 H GLU A 17 -8.707 -10.371 -5.293 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.957 -10.198 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.350 -12.383 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.990 -12.316 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.257 -12.020 -6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.682 -11.863 -7.871 1.00 0.00 H new ATOM 136 N GLU A 18 -8.018 -9.511 -8.354 1.00 0.00 N ATOM 137 CA GLU A 18 -8.090 -8.968 -9.705 1.00 0.00 C ATOM 138 C GLU A 18 -7.482 -7.566 -9.757 1.00 0.00 C ATOM 139 O GLU A 18 -6.884 -7.179 -10.762 1.00 0.00 O ATOM 140 CB GLU A 18 -9.540 -8.933 -10.196 1.00 0.00 C ATOM 141 CG GLU A 18 -10.057 -10.286 -10.664 1.00 0.00 C ATOM 142 CD GLU A 18 -11.103 -10.169 -11.757 1.00 0.00 C ATOM 143 OE1 GLU A 18 -10.793 -9.582 -12.815 1.00 0.00 O ATOM 144 OE2 GLU A 18 -12.229 -10.671 -11.558 1.00 0.00 O ATOM 0 H GLU A 18 -8.919 -9.589 -7.882 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.515 -9.620 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.179 -8.568 -9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.620 -8.219 -11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.221 -10.883 -11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.483 -10.821 -9.815 1.00 0.00 H new ATOM 151 N MET A 19 -7.631 -6.811 -8.665 1.00 0.00 N ATOM 152 CA MET A 19 -7.089 -5.454 -8.589 1.00 0.00 C ATOM 153 C MET A 19 -5.562 -5.469 -8.574 1.00 0.00 C ATOM 154 O MET A 19 -4.923 -4.709 -9.300 1.00 0.00 O ATOM 155 CB MET A 19 -7.607 -4.733 -7.342 1.00 0.00 C ATOM 156 CG MET A 19 -9.052 -4.275 -7.457 1.00 0.00 C ATOM 157 SD MET A 19 -9.237 -2.490 -7.284 1.00 0.00 S ATOM 158 CE MET A 19 -8.465 -1.916 -8.793 1.00 0.00 C ATOM 0 H MET A 19 -8.121 -7.116 -7.824 1.00 0.00 H new ATOM 0 HA MET A 19 -7.424 -4.918 -9.477 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.513 -5.398 -6.483 1.00 0.00 H new ATOM 0 HB3 MET A 19 -6.975 -3.867 -7.145 1.00 0.00 H new ATOM 0 HG2 MET A 19 -9.450 -4.585 -8.423 1.00 0.00 H new ATOM 0 HG3 MET A 19 -9.648 -4.773 -6.692 1.00 0.00 H new ATOM 0 HE1 MET A 19 -8.502 -0.827 -8.829 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.426 -2.244 -8.818 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.996 -2.326 -9.652 1.00 0.00 H new ATOM 168 N ILE A 20 -4.984 -6.341 -7.746 1.00 0.00 N ATOM 169 CA ILE A 20 -3.535 -6.455 -7.642 1.00 0.00 C ATOM 170 C ILE A 20 -2.933 -7.115 -8.884 1.00 0.00 C ATOM 171 O ILE A 20 -1.721 -7.048 -9.100 1.00 0.00 O ATOM 172 CB ILE A 20 -3.119 -7.259 -6.392 1.00 0.00 C ATOM 173 CG1 ILE A 20 -3.868 -8.595 -6.322 1.00 0.00 C ATOM 174 CG2 ILE A 20 -3.357 -6.442 -5.130 1.00 0.00 C ATOM 175 CD1 ILE A 20 -3.192 -9.621 -5.439 1.00 0.00 C ATOM 0 H ILE A 20 -5.501 -6.977 -7.139 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.150 -5.439 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.054 -7.476 -6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.878 -8.417 -5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.965 -9.001 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.058 -7.024 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.769 -5.526 -5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.415 -6.191 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.777 -10.541 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.192 -9.828 -5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.119 -9.235 -4.422 1.00 0.00 H new ATOM 187 N LYS A 21 -3.781 -7.752 -9.694 1.00 0.00 N ATOM 188 CA LYS A 21 -3.327 -8.423 -10.907 1.00 0.00 C ATOM 189 C LYS A 21 -2.697 -7.428 -11.881 1.00 0.00 C ATOM 190 O LYS A 21 -1.500 -7.496 -12.162 1.00 0.00 O ATOM 191 CB LYS A 21 -4.496 -9.148 -11.578 1.00 0.00 C ATOM 192 CG LYS A 21 -4.162 -10.560 -12.037 1.00 0.00 C ATOM 193 CD LYS A 21 -3.934 -11.493 -10.856 1.00 0.00 C ATOM 194 CE LYS A 21 -5.178 -12.312 -10.534 1.00 0.00 C ATOM 195 NZ LYS A 21 -5.336 -13.477 -11.453 1.00 0.00 N ATOM 0 H LYS A 21 -4.786 -7.816 -9.529 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.568 -9.153 -10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.333 -9.191 -10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.827 -8.565 -12.438 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.974 -10.945 -12.654 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.269 -10.539 -12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.104 -12.164 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.647 -10.909 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.121 -12.667 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.059 -11.674 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.194 -14.006 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.416 -13.138 -12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.508 -14.100 -11.369 1.00 0.00 H new ATOM 209 N SER A 22 -3.511 -6.498 -12.388 1.00 0.00 N ATOM 210 CA SER A 22 -3.031 -5.485 -13.329 1.00 0.00 C ATOM 211 C SER A 22 -2.448 -4.282 -12.589 1.00 0.00 C ATOM 212 O SER A 22 -1.616 -3.555 -13.133 1.00 0.00 O ATOM 213 CB SER A 22 -4.164 -5.030 -14.256 1.00 0.00 C ATOM 214 OG SER A 22 -3.704 -4.882 -15.587 1.00 0.00 O ATOM 0 H SER A 22 -4.503 -6.426 -12.163 1.00 0.00 H new ATOM 0 HA SER A 22 -2.242 -5.936 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.976 -5.757 -14.227 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.571 -4.083 -13.901 1.00 0.00 H new ATOM 0 HG SER A 22 -4.445 -4.593 -16.159 1.00 0.00 H new ATOM 220 N HIS A 23 -2.885 -4.078 -11.343 1.00 0.00 N ATOM 221 CA HIS A 23 -2.395 -2.967 -10.537 1.00 0.00 C ATOM 222 C HIS A 23 -1.718 -3.475 -9.264 1.00 0.00 C ATOM 223 O HIS A 23 -2.224 -3.277 -8.158 1.00 0.00 O ATOM 224 CB HIS A 23 -3.541 -2.014 -10.185 1.00 0.00 C ATOM 225 CG HIS A 23 -4.148 -1.328 -11.370 1.00 0.00 C ATOM 226 ND1 HIS A 23 -3.413 -0.909 -12.458 1.00 0.00 N ATOM 227 CD2 HIS A 23 -5.432 -0.986 -11.632 1.00 0.00 C ATOM 228 CE1 HIS A 23 -4.217 -0.338 -13.338 1.00 0.00 C ATOM 229 NE2 HIS A 23 -5.447 -0.372 -12.860 1.00 0.00 N ATOM 0 H HIS A 23 -3.574 -4.667 -10.876 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.655 -2.423 -11.124 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -4.318 -2.573 -9.664 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.172 -1.259 -9.491 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.285 -1.163 -10.994 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.919 0.084 -14.286 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.275 -0.002 -13.327 1.00 0.00 H new ATOM 238 N PRO A 24 -0.552 -4.139 -9.406 1.00 0.00 N ATOM 239 CA PRO A 24 0.200 -4.676 -8.264 1.00 0.00 C ATOM 240 C PRO A 24 0.850 -3.584 -7.411 1.00 0.00 C ATOM 241 O PRO A 24 1.198 -3.820 -6.254 1.00 0.00 O ATOM 242 CB PRO A 24 1.267 -5.550 -8.925 1.00 0.00 C ATOM 243 CG PRO A 24 1.466 -4.949 -10.273 1.00 0.00 C ATOM 244 CD PRO A 24 0.124 -4.414 -10.690 1.00 0.00 C ATOM 0 HA PRO A 24 -0.448 -5.214 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.193 -5.548 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.940 -6.587 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.210 -4.153 -10.239 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.827 -5.693 -10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.222 -3.512 -11.293 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.429 -5.139 -11.288 1.00 0.00 H new ATOM 252 N TYR A 25 1.012 -2.389 -7.988 1.00 0.00 N ATOM 253 CA TYR A 25 1.615 -1.268 -7.282 1.00 0.00 C ATOM 254 C TYR A 25 0.534 -0.415 -6.616 1.00 0.00 C ATOM 255 O TYR A 25 0.259 0.707 -7.047 1.00 0.00 O ATOM 256 CB TYR A 25 2.436 -0.420 -8.254 1.00 0.00 C ATOM 257 CG TYR A 25 3.799 -0.997 -8.574 1.00 0.00 C ATOM 258 CD1 TYR A 25 4.789 -1.074 -7.600 1.00 0.00 C ATOM 259 CD2 TYR A 25 4.097 -1.456 -9.851 1.00 0.00 C ATOM 260 CE1 TYR A 25 6.036 -1.596 -7.892 1.00 0.00 C ATOM 261 CE2 TYR A 25 5.343 -1.977 -10.149 1.00 0.00 C ATOM 262 CZ TYR A 25 6.308 -2.043 -9.166 1.00 0.00 C ATOM 263 OH TYR A 25 7.549 -2.561 -9.460 1.00 0.00 O ATOM 0 H TYR A 25 0.731 -2.179 -8.946 1.00 0.00 H new ATOM 0 HA TYR A 25 2.276 -1.655 -6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.875 -0.303 -9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.565 0.577 -7.832 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.581 -0.721 -6.601 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.344 -1.405 -10.623 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.793 -1.653 -7.124 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.559 -2.330 -11.146 1.00 0.00 H new ATOM 0 HH TYR A 25 7.576 -2.831 -10.402 1.00 0.00 H new ATOM 273 N PHE A 26 -0.084 -0.962 -5.570 1.00 0.00 N ATOM 274 CA PHE A 26 -1.144 -0.261 -4.853 1.00 0.00 C ATOM 275 C PHE A 26 -0.706 0.107 -3.436 1.00 0.00 C ATOM 276 O PHE A 26 -0.114 -0.709 -2.727 1.00 0.00 O ATOM 277 CB PHE A 26 -2.407 -1.127 -4.805 1.00 0.00 C ATOM 278 CG PHE A 26 -3.545 -0.591 -5.634 1.00 0.00 C ATOM 279 CD1 PHE A 26 -3.387 -0.364 -6.993 1.00 0.00 C ATOM 280 CD2 PHE A 26 -4.772 -0.316 -5.052 1.00 0.00 C ATOM 281 CE1 PHE A 26 -4.434 0.125 -7.754 1.00 0.00 C ATOM 282 CE2 PHE A 26 -5.821 0.174 -5.807 1.00 0.00 C ATOM 283 CZ PHE A 26 -5.650 0.396 -7.159 1.00 0.00 C ATOM 0 H PHE A 26 0.132 -1.888 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.361 0.663 -5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.161 -2.131 -5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.735 -1.217 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.437 -0.571 -7.462 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.911 -0.487 -3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.300 0.294 -8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.772 0.383 -5.340 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.467 0.781 -7.751 1.00 0.00 H new ATOM 293 N GLN A 27 -1.008 1.340 -3.029 1.00 0.00 N ATOM 294 CA GLN A 27 -0.658 1.822 -1.694 1.00 0.00 C ATOM 295 C GLN A 27 -1.885 2.405 -0.998 1.00 0.00 C ATOM 296 O GLN A 27 -2.359 3.487 -1.356 1.00 0.00 O ATOM 297 CB GLN A 27 0.451 2.875 -1.777 1.00 0.00 C ATOM 298 CG GLN A 27 1.852 2.292 -1.658 1.00 0.00 C ATOM 299 CD GLN A 27 2.208 1.388 -2.823 1.00 0.00 C ATOM 300 OE1 GLN A 27 2.567 0.227 -2.636 1.00 0.00 O ATOM 301 NE2 GLN A 27 2.102 1.915 -4.037 1.00 0.00 N ATOM 0 H GLN A 27 -1.496 2.024 -3.607 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.293 0.977 -1.110 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.366 3.406 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.303 3.610 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.576 3.105 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.929 1.728 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.800 2.883 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.322 1.352 -4.858 1.00 0.00 H new ATOM 310 N LEU A 28 -2.397 1.681 -0.005 1.00 0.00 N ATOM 311 CA LEU A 28 -3.573 2.118 0.745 1.00 0.00 C ATOM 312 C LEU A 28 -3.189 3.133 1.821 1.00 0.00 C ATOM 313 O LEU A 28 -2.337 2.856 2.670 1.00 0.00 O ATOM 314 CB LEU A 28 -4.272 0.911 1.385 1.00 0.00 C ATOM 315 CG LEU A 28 -5.433 0.318 0.578 1.00 0.00 C ATOM 316 CD1 LEU A 28 -6.537 1.348 0.390 1.00 0.00 C ATOM 317 CD2 LEU A 28 -4.945 -0.197 -0.770 1.00 0.00 C ATOM 0 H LEU A 28 -2.014 0.786 0.300 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.260 2.600 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.531 0.129 1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.647 1.207 2.365 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.841 -0.524 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.351 0.908 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.910 1.664 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.141 2.212 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.785 -0.613 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.507 0.625 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.194 -0.971 -0.613 1.00 0.00 H new ATOM 329 N SER A 29 -3.820 4.308 1.779 1.00 0.00 N ATOM 330 CA SER A 29 -3.540 5.366 2.751 1.00 0.00 C ATOM 331 C SER A 29 -4.829 5.906 3.377 1.00 0.00 C ATOM 332 O SER A 29 -5.933 5.562 2.951 1.00 0.00 O ATOM 333 CB SER A 29 -2.767 6.506 2.081 1.00 0.00 C ATOM 334 OG SER A 29 -1.368 6.293 2.162 1.00 0.00 O ATOM 0 H SER A 29 -4.526 4.550 1.084 1.00 0.00 H new ATOM 0 HA SER A 29 -2.933 4.936 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.065 6.586 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.022 7.452 2.559 1.00 0.00 H new ATOM 0 HG SER A 29 -0.898 7.034 1.725 1.00 0.00 H new ATOM 340 N ALA A 30 -4.673 6.763 4.392 1.00 0.00 N ATOM 341 CA ALA A 30 -5.811 7.364 5.089 1.00 0.00 C ATOM 342 C ALA A 30 -6.025 8.815 4.654 1.00 0.00 C ATOM 343 O ALA A 30 -5.344 9.311 3.755 1.00 0.00 O ATOM 344 CB ALA A 30 -5.603 7.288 6.597 1.00 0.00 C ATOM 0 H ALA A 30 -3.764 7.056 4.749 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.706 6.800 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.456 7.738 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.510 6.245 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.694 7.827 6.867 1.00 0.00 H new ATOM 350 N SER A 31 -6.979 9.492 5.299 1.00 0.00 N ATOM 351 CA SER A 31 -7.286 10.883 4.977 1.00 0.00 C ATOM 352 C SER A 31 -6.479 11.849 5.846 1.00 0.00 C ATOM 353 O SER A 31 -6.852 12.131 6.987 1.00 0.00 O ATOM 354 CB SER A 31 -8.786 11.149 5.150 1.00 0.00 C ATOM 355 OG SER A 31 -9.418 11.341 3.897 1.00 0.00 O ATOM 0 H SER A 31 -7.550 9.097 6.046 1.00 0.00 H new ATOM 0 HA SER A 31 -7.008 11.053 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.250 10.311 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.932 12.031 5.774 1.00 0.00 H new ATOM 0 HG SER A 31 -10.381 11.459 4.031 1.00 0.00 H new ATOM 361 N TRP A 32 -5.377 12.358 5.290 1.00 0.00 N ATOM 362 CA TRP A 32 -4.511 13.305 5.996 1.00 0.00 C ATOM 363 C TRP A 32 -4.031 12.740 7.341 1.00 0.00 C ATOM 364 O TRP A 32 -4.039 13.438 8.357 1.00 0.00 O ATOM 365 CB TRP A 32 -5.250 14.635 6.207 1.00 0.00 C ATOM 366 CG TRP A 32 -4.498 15.831 5.702 1.00 0.00 C ATOM 367 CD1 TRP A 32 -3.241 16.223 6.065 1.00 0.00 C ATOM 368 CD2 TRP A 32 -4.958 16.794 4.745 1.00 0.00 C ATOM 369 NE1 TRP A 32 -2.891 17.369 5.393 1.00 0.00 N ATOM 370 CE2 TRP A 32 -3.928 17.741 4.577 1.00 0.00 C ATOM 371 CE3 TRP A 32 -6.140 16.951 4.014 1.00 0.00 C ATOM 372 CZ2 TRP A 32 -4.045 18.823 3.709 1.00 0.00 C ATOM 373 CZ3 TRP A 32 -6.252 18.027 3.152 1.00 0.00 C ATOM 374 CH2 TRP A 32 -5.211 18.951 3.007 1.00 0.00 C ATOM 0 H TRP A 32 -5.062 12.128 4.347 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.629 13.478 5.379 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.217 14.587 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.449 14.765 7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.614 15.707 6.777 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.003 17.863 5.486 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -6.950 16.245 4.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.242 19.537 3.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.159 18.156 2.581 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.331 19.782 2.327 1.00 0.00 H new ATOM 385 N CYS A 33 -3.606 11.475 7.339 1.00 0.00 N ATOM 386 CA CYS A 33 -3.119 10.825 8.558 1.00 0.00 C ATOM 387 C CYS A 33 -1.681 11.250 8.870 1.00 0.00 C ATOM 388 O CYS A 33 -0.961 11.714 7.987 1.00 0.00 O ATOM 389 CB CYS A 33 -3.195 9.302 8.418 1.00 0.00 C ATOM 390 SG CYS A 33 -4.437 8.524 9.479 1.00 0.00 S ATOM 0 H CYS A 33 -3.589 10.881 6.510 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.758 11.139 9.384 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.413 9.054 7.379 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.218 8.877 8.649 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.427 7.238 9.288 1.00 0.00 H new ATOM 396 N PRO A 34 -1.246 11.094 10.139 1.00 0.00 N ATOM 397 CA PRO A 34 0.113 11.464 10.563 1.00 0.00 C ATOM 398 C PRO A 34 1.186 10.553 9.960 1.00 0.00 C ATOM 399 O PRO A 34 2.279 11.011 9.626 1.00 0.00 O ATOM 400 CB PRO A 34 0.070 11.305 12.085 1.00 0.00 C ATOM 401 CG PRO A 34 -1.024 10.327 12.340 1.00 0.00 C ATOM 402 CD PRO A 34 -2.042 10.547 11.253 1.00 0.00 C ATOM 0 HA PRO A 34 0.379 12.468 10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.022 10.941 12.471 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.130 12.258 12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.646 9.305 12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.465 10.483 13.324 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.537 9.617 10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.821 11.241 11.568 1.00 0.00 H new ATOM 410 N ASP A 35 0.866 9.265 9.823 1.00 0.00 N ATOM 411 CA ASP A 35 1.805 8.298 9.259 1.00 0.00 C ATOM 412 C ASP A 35 1.611 8.156 7.751 1.00 0.00 C ATOM 413 O ASP A 35 2.577 7.988 7.005 1.00 0.00 O ATOM 414 CB ASP A 35 1.641 6.936 9.934 1.00 0.00 C ATOM 415 CG ASP A 35 2.521 6.787 11.159 1.00 0.00 C ATOM 416 OD1 ASP A 35 3.740 6.566 10.991 1.00 0.00 O ATOM 417 OD2 ASP A 35 1.992 6.897 12.285 1.00 0.00 O ATOM 0 H ASP A 35 -0.034 8.870 10.095 1.00 0.00 H new ATOM 0 HA ASP A 35 2.814 8.668 9.443 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.598 6.799 10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.881 6.149 9.220 1.00 0.00 H new ATOM 422 N CYS A 36 0.356 8.227 7.309 1.00 0.00 N ATOM 423 CA CYS A 36 0.030 8.106 5.890 1.00 0.00 C ATOM 424 C CYS A 36 0.565 9.299 5.098 1.00 0.00 C ATOM 425 O CYS A 36 0.974 9.150 3.946 1.00 0.00 O ATOM 426 CB CYS A 36 -1.484 7.987 5.703 1.00 0.00 C ATOM 427 SG CYS A 36 -2.236 6.641 6.650 1.00 0.00 S ATOM 0 H CYS A 36 -0.452 8.368 7.915 1.00 0.00 H new ATOM 0 HA CYS A 36 0.508 7.203 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.951 8.928 5.994 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.699 7.838 4.645 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.629 5.706 5.837 1.00 0.00 H new ATOM 433 N VAL A 37 0.569 10.479 5.721 1.00 0.00 N ATOM 434 CA VAL A 37 1.067 11.688 5.068 1.00 0.00 C ATOM 435 C VAL A 37 2.534 11.531 4.654 1.00 0.00 C ATOM 436 O VAL A 37 2.957 12.070 3.633 1.00 0.00 O ATOM 437 CB VAL A 37 0.915 12.931 5.974 1.00 0.00 C ATOM 438 CG1 VAL A 37 1.740 12.789 7.245 1.00 0.00 C ATOM 439 CG2 VAL A 37 1.297 14.195 5.215 1.00 0.00 C ATOM 0 H VAL A 37 0.234 10.622 6.674 1.00 0.00 H new ATOM 0 HA VAL A 37 0.460 11.835 4.175 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.132 13.010 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.613 13.678 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.406 11.912 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.792 12.675 6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.184 15.060 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.333 14.122 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.647 14.309 4.347 1.00 0.00 H new ATOM 449 N TYR A 38 3.303 10.780 5.451 1.00 0.00 N ATOM 450 CA TYR A 38 4.717 10.545 5.164 1.00 0.00 C ATOM 451 C TYR A 38 4.890 9.783 3.850 1.00 0.00 C ATOM 452 O TYR A 38 5.687 10.176 2.999 1.00 0.00 O ATOM 453 CB TYR A 38 5.369 9.761 6.306 1.00 0.00 C ATOM 454 CG TYR A 38 6.867 9.594 6.157 1.00 0.00 C ATOM 455 CD1 TYR A 38 7.741 10.610 6.527 1.00 0.00 C ATOM 456 CD2 TYR A 38 7.407 8.418 5.646 1.00 0.00 C ATOM 457 CE1 TYR A 38 9.107 10.460 6.392 1.00 0.00 C ATOM 458 CE2 TYR A 38 8.774 8.261 5.511 1.00 0.00 C ATOM 459 CZ TYR A 38 9.619 9.283 5.885 1.00 0.00 C ATOM 460 OH TYR A 38 10.981 9.129 5.754 1.00 0.00 O ATOM 0 H TYR A 38 2.966 10.326 6.300 1.00 0.00 H new ATOM 0 HA TYR A 38 5.206 11.515 5.070 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.162 10.269 7.248 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.907 8.775 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.345 11.532 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.748 7.615 5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.772 11.260 6.682 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.178 7.341 5.114 1.00 0.00 H new ATOM 0 HH TYR A 38 11.176 8.243 5.383 1.00 0.00 H new ATOM 470 N ALA A 39 4.138 8.691 3.693 1.00 0.00 N ATOM 471 CA ALA A 39 4.210 7.874 2.481 1.00 0.00 C ATOM 472 C ALA A 39 3.843 8.692 1.242 1.00 0.00 C ATOM 473 O ALA A 39 4.425 8.506 0.173 1.00 0.00 O ATOM 474 CB ALA A 39 3.303 6.657 2.598 1.00 0.00 C ATOM 0 H ALA A 39 3.474 8.353 4.389 1.00 0.00 H new ATOM 0 HA ALA A 39 5.239 7.532 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.371 6.063 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.614 6.052 3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.273 6.983 2.742 1.00 0.00 H new ATOM 480 N ASN A 40 2.881 9.605 1.397 1.00 0.00 N ATOM 481 CA ASN A 40 2.446 10.455 0.294 1.00 0.00 C ATOM 482 C ASN A 40 3.473 11.550 0.018 1.00 0.00 C ATOM 483 O ASN A 40 3.635 11.985 -1.122 1.00 0.00 O ATOM 484 CB ASN A 40 1.083 11.082 0.600 1.00 0.00 C ATOM 485 CG ASN A 40 -0.071 10.214 0.132 1.00 0.00 C ATOM 486 OD1 ASN A 40 0.049 9.473 -0.844 1.00 0.00 O ATOM 487 ND2 ASN A 40 -1.201 10.304 0.825 1.00 0.00 N ATOM 0 H ASN A 40 2.391 9.772 2.276 1.00 0.00 H new ATOM 0 HA ASN A 40 2.353 9.831 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.996 11.250 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.019 12.058 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.011 9.746 0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.258 10.931 1.628 1.00 0.00 H new ATOM 494 N SER A 41 4.163 11.990 1.071 1.00 0.00 N ATOM 495 CA SER A 41 5.175 13.032 0.945 1.00 0.00 C ATOM 496 C SER A 41 6.305 12.584 0.020 1.00 0.00 C ATOM 497 O SER A 41 6.692 13.310 -0.897 1.00 0.00 O ATOM 498 CB SER A 41 5.740 13.396 2.321 1.00 0.00 C ATOM 499 OG SER A 41 5.045 14.495 2.884 1.00 0.00 O ATOM 0 H SER A 41 4.037 11.639 2.020 1.00 0.00 H new ATOM 0 HA SER A 41 4.701 13.913 0.511 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.667 12.536 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.799 13.639 2.230 1.00 0.00 H new ATOM 0 HG SER A 41 5.424 14.706 3.763 1.00 0.00 H new ATOM 505 N ILE A 42 6.824 11.382 0.264 1.00 0.00 N ATOM 506 CA ILE A 42 7.905 10.835 -0.550 1.00 0.00 C ATOM 507 C ILE A 42 7.416 10.500 -1.958 1.00 0.00 C ATOM 508 O ILE A 42 8.139 10.692 -2.935 1.00 0.00 O ATOM 509 CB ILE A 42 8.517 9.568 0.085 1.00 0.00 C ATOM 510 CG1 ILE A 42 8.862 9.818 1.558 1.00 0.00 C ATOM 511 CG2 ILE A 42 9.756 9.130 -0.689 1.00 0.00 C ATOM 512 CD1 ILE A 42 9.899 10.903 1.768 1.00 0.00 C ATOM 0 H ILE A 42 6.513 10.770 1.018 1.00 0.00 H new ATOM 0 HA ILE A 42 8.674 11.605 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 42 7.780 8.767 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.952 10.089 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.226 8.890 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.175 8.236 -0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.482 8.912 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.497 9.929 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.090 11.022 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.824 10.625 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.530 11.843 1.359 1.00 0.00 H new ATOM 524 N TRP A 43 6.183 10.002 -2.055 1.00 0.00 N ATOM 525 CA TRP A 43 5.597 9.645 -3.347 1.00 0.00 C ATOM 526 C TRP A 43 5.483 10.870 -4.257 1.00 0.00 C ATOM 527 O TRP A 43 5.634 10.761 -5.476 1.00 0.00 O ATOM 528 CB TRP A 43 4.218 9.011 -3.150 1.00 0.00 C ATOM 529 CG TRP A 43 4.241 7.508 -3.104 1.00 0.00 C ATOM 530 CD1 TRP A 43 3.197 6.669 -3.379 1.00 0.00 C ATOM 531 CD2 TRP A 43 5.351 6.663 -2.760 1.00 0.00 C ATOM 532 NE1 TRP A 43 3.587 5.363 -3.228 1.00 0.00 N ATOM 533 CE2 TRP A 43 4.902 5.331 -2.851 1.00 0.00 C ATOM 534 CE3 TRP A 43 6.680 6.900 -2.387 1.00 0.00 C ATOM 535 CZ2 TRP A 43 5.732 4.245 -2.580 1.00 0.00 C ATOM 536 CZ3 TRP A 43 7.500 5.821 -2.119 1.00 0.00 C ATOM 537 CH2 TRP A 43 7.023 4.508 -2.218 1.00 0.00 C ATOM 0 H TRP A 43 5.572 9.837 -1.255 1.00 0.00 H new ATOM 0 HA TRP A 43 6.257 8.922 -3.826 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.785 9.387 -2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.563 9.330 -3.960 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.208 6.989 -3.673 1.00 0.00 H new ATOM 0 HE1 TRP A 43 2.993 4.547 -3.373 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.057 7.909 -2.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.368 3.231 -2.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 8.526 5.993 -1.828 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.690 3.686 -2.004 1.00 0.00 H new ATOM 548 N ASN A 44 5.224 12.034 -3.660 1.00 0.00 N ATOM 549 CA ASN A 44 5.095 13.279 -4.418 1.00 0.00 C ATOM 550 C ASN A 44 6.465 13.814 -4.845 1.00 0.00 C ATOM 551 O ASN A 44 6.585 14.466 -5.884 1.00 0.00 O ATOM 552 CB ASN A 44 4.360 14.337 -3.590 1.00 0.00 C ATOM 553 CG ASN A 44 3.151 14.900 -4.313 1.00 0.00 C ATOM 554 OD1 ASN A 44 2.336 14.153 -4.857 1.00 0.00 O ATOM 555 ND2 ASN A 44 3.025 16.224 -4.326 1.00 0.00 N ATOM 0 H ASN A 44 5.099 12.141 -2.653 1.00 0.00 H new ATOM 0 HA ASN A 44 4.516 13.061 -5.316 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.042 13.898 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.047 15.149 -3.350 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.231 16.656 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.722 16.807 -3.863 1.00 0.00 H new ATOM 562 N LYS A 45 7.492 13.533 -4.042 1.00 0.00 N ATOM 563 CA LYS A 45 8.849 13.982 -4.338 1.00 0.00 C ATOM 564 C LYS A 45 9.526 13.051 -5.344 1.00 0.00 C ATOM 565 O LYS A 45 10.334 13.493 -6.159 1.00 0.00 O ATOM 566 CB LYS A 45 9.676 14.045 -3.050 1.00 0.00 C ATOM 567 CG LYS A 45 11.009 14.766 -3.208 1.00 0.00 C ATOM 568 CD LYS A 45 12.107 14.110 -2.383 1.00 0.00 C ATOM 569 CE LYS A 45 11.875 14.288 -0.888 1.00 0.00 C ATOM 570 NZ LYS A 45 13.116 14.699 -0.172 1.00 0.00 N ATOM 0 H LYS A 45 7.407 12.995 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 45 8.789 14.978 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.092 14.547 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.862 13.030 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.298 14.771 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.898 15.807 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.153 13.047 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.071 14.539 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.100 15.038 -0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.506 13.354 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.912 14.808 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.848 13.972 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.455 15.604 -0.556 1.00 0.00 H new ATOM 584 N LEU A 46 9.195 11.761 -5.276 1.00 0.00 N ATOM 585 CA LEU A 46 9.777 10.771 -6.175 1.00 0.00 C ATOM 586 C LEU A 46 9.090 10.764 -7.545 1.00 0.00 C ATOM 587 O LEU A 46 9.556 10.090 -8.468 1.00 0.00 O ATOM 588 CB LEU A 46 9.691 9.374 -5.553 1.00 0.00 C ATOM 589 CG LEU A 46 10.804 9.029 -4.562 1.00 0.00 C ATOM 590 CD1 LEU A 46 10.552 7.666 -3.934 1.00 0.00 C ATOM 591 CD2 LEU A 46 12.164 9.059 -5.249 1.00 0.00 C ATOM 0 H LEU A 46 8.526 11.380 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 46 10.821 11.046 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.732 9.280 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.700 8.636 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 46 10.805 9.779 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.353 7.435 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.599 7.679 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.524 6.905 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.942 8.811 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.178 8.332 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.347 10.056 -5.651 1.00 0.00 H new ATOM 603 N ASN A 47 7.989 11.515 -7.680 1.00 0.00 N ATOM 604 CA ASN A 47 7.252 11.586 -8.940 1.00 0.00 C ATOM 605 C ASN A 47 6.945 10.183 -9.477 1.00 0.00 C ATOM 606 O ASN A 47 7.205 9.878 -10.644 1.00 0.00 O ATOM 607 CB ASN A 47 8.058 12.389 -9.967 1.00 0.00 C ATOM 608 CG ASN A 47 7.282 12.648 -11.246 1.00 0.00 C ATOM 609 OD1 ASN A 47 7.564 12.052 -12.285 1.00 0.00 O ATOM 610 ND2 ASN A 47 6.299 13.541 -11.176 1.00 0.00 N ATOM 0 H ASN A 47 7.592 12.081 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 47 6.302 12.089 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.354 13.341 -9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.975 11.850 -10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.744 13.755 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.100 14.012 -10.293 1.00 0.00 H new ATOM 617 N VAL A 48 6.391 9.330 -8.618 1.00 0.00 N ATOM 618 CA VAL A 48 6.049 7.961 -9.008 1.00 0.00 C ATOM 619 C VAL A 48 4.532 7.746 -9.025 1.00 0.00 C ATOM 620 O VAL A 48 4.047 6.654 -8.732 1.00 0.00 O ATOM 621 CB VAL A 48 6.705 6.925 -8.066 1.00 0.00 C ATOM 622 CG1 VAL A 48 8.220 6.944 -8.209 1.00 0.00 C ATOM 623 CG2 VAL A 48 6.293 7.171 -6.618 1.00 0.00 C ATOM 0 H VAL A 48 6.169 9.560 -7.649 1.00 0.00 H new ATOM 0 HA VAL A 48 6.436 7.815 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 48 6.352 5.935 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.658 6.207 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.491 6.704 -9.237 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.597 7.935 -7.956 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.767 6.430 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.608 8.170 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.210 7.089 -6.529 1.00 0.00 H new ATOM 633 N GLN A 49 3.788 8.796 -9.377 1.00 0.00 N ATOM 634 CA GLN A 49 2.328 8.726 -9.436 1.00 0.00 C ATOM 635 C GLN A 49 1.851 8.044 -10.721 1.00 0.00 C ATOM 636 O GLN A 49 0.759 7.480 -10.762 1.00 0.00 O ATOM 637 CB GLN A 49 1.727 10.132 -9.328 1.00 0.00 C ATOM 638 CG GLN A 49 0.248 10.142 -8.969 1.00 0.00 C ATOM 639 CD GLN A 49 0.004 9.999 -7.477 1.00 0.00 C ATOM 640 OE1 GLN A 49 -0.583 9.014 -7.027 1.00 0.00 O ATOM 641 NE2 GLN A 49 0.451 10.980 -6.697 1.00 0.00 N ATOM 0 H GLN A 49 4.174 9.707 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 49 1.987 8.125 -8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.278 10.696 -8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.864 10.650 -10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.200 11.072 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.254 9.330 -9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.933 11.779 -7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.312 10.933 -5.688 1.00 0.00 H new ATOM 650 N ASP A 50 2.677 8.095 -11.770 1.00 0.00 N ATOM 651 CA ASP A 50 2.335 7.472 -13.050 1.00 0.00 C ATOM 652 C ASP A 50 2.704 5.989 -13.053 1.00 0.00 C ATOM 653 O ASP A 50 1.985 5.165 -13.619 1.00 0.00 O ATOM 654 CB ASP A 50 3.048 8.189 -14.199 1.00 0.00 C ATOM 655 CG ASP A 50 2.212 8.226 -15.463 1.00 0.00 C ATOM 656 OD1 ASP A 50 1.278 9.054 -15.533 1.00 0.00 O ATOM 657 OD2 ASP A 50 2.488 7.426 -16.381 1.00 0.00 O ATOM 0 H ASP A 50 3.585 8.560 -11.757 1.00 0.00 H new ATOM 0 HA ASP A 50 1.257 7.560 -13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.288 9.208 -13.895 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.993 7.687 -14.406 1.00 0.00 H new ATOM 662 N LYS A 51 3.828 5.658 -12.416 1.00 0.00 N ATOM 663 CA LYS A 51 4.294 4.273 -12.342 1.00 0.00 C ATOM 664 C LYS A 51 3.633 3.518 -11.178 1.00 0.00 C ATOM 665 O LYS A 51 3.692 2.287 -11.123 1.00 0.00 O ATOM 666 CB LYS A 51 5.817 4.238 -12.183 1.00 0.00 C ATOM 667 CG LYS A 51 6.579 4.534 -13.468 1.00 0.00 C ATOM 668 CD LYS A 51 8.075 4.304 -13.299 1.00 0.00 C ATOM 669 CE LYS A 51 8.850 5.613 -13.297 1.00 0.00 C ATOM 670 NZ LYS A 51 10.250 5.432 -13.777 1.00 0.00 N ATOM 0 H LYS A 51 4.433 6.330 -11.944 1.00 0.00 H new ATOM 0 HA LYS A 51 4.012 3.777 -13.271 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.110 4.963 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.112 3.255 -11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.201 3.900 -14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.401 5.567 -13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.258 3.772 -12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.439 3.667 -14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.340 6.338 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.863 6.026 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.599 6.327 -14.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.856 5.149 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.273 4.694 -14.509 1.00 0.00 H new ATOM 684 N VAL A 52 3.012 4.255 -10.250 1.00 0.00 N ATOM 685 CA VAL A 52 2.355 3.649 -9.094 1.00 0.00 C ATOM 686 C VAL A 52 0.899 4.110 -8.988 1.00 0.00 C ATOM 687 O VAL A 52 0.532 5.149 -9.536 1.00 0.00 O ATOM 688 CB VAL A 52 3.099 4.005 -7.788 1.00 0.00 C ATOM 689 CG1 VAL A 52 2.530 3.237 -6.608 1.00 0.00 C ATOM 690 CG2 VAL A 52 4.592 3.738 -7.928 1.00 0.00 C ATOM 0 H VAL A 52 2.953 5.273 -10.280 1.00 0.00 H new ATOM 0 HA VAL A 52 2.378 2.568 -9.235 1.00 0.00 H new ATOM 0 HB VAL A 52 2.954 5.069 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.073 3.507 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.476 3.485 -6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.633 2.167 -6.787 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.097 3.996 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.754 2.683 -8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.996 4.344 -8.739 1.00 0.00 H new ATOM 700 N PHE A 53 0.076 3.342 -8.269 1.00 0.00 N ATOM 701 CA PHE A 53 -1.325 3.689 -8.088 1.00 0.00 C ATOM 702 C PHE A 53 -1.652 3.831 -6.606 1.00 0.00 C ATOM 703 O PHE A 53 -1.649 2.855 -5.853 1.00 0.00 O ATOM 704 CB PHE A 53 -2.231 2.626 -8.722 1.00 0.00 C ATOM 705 CG PHE A 53 -3.327 3.202 -9.579 1.00 0.00 C ATOM 706 CD1 PHE A 53 -4.292 4.034 -9.030 1.00 0.00 C ATOM 707 CD2 PHE A 53 -3.393 2.906 -10.930 1.00 0.00 C ATOM 708 CE1 PHE A 53 -5.301 4.560 -9.815 1.00 0.00 C ATOM 709 CE2 PHE A 53 -4.400 3.429 -11.720 1.00 0.00 C ATOM 710 CZ PHE A 53 -5.354 4.257 -11.162 1.00 0.00 C ATOM 0 H PHE A 53 0.360 2.479 -7.806 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.505 4.644 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.622 1.956 -9.328 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.678 2.023 -7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.254 4.273 -7.978 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.649 2.259 -11.372 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.046 5.207 -9.376 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.440 3.190 -12.772 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.141 4.667 -11.778 1.00 0.00 H new ATOM 720 N VAL A 54 -1.932 5.063 -6.206 1.00 0.00 N ATOM 721 CA VAL A 54 -2.269 5.373 -4.817 1.00 0.00 C ATOM 722 C VAL A 54 -3.782 5.478 -4.628 1.00 0.00 C ATOM 723 O VAL A 54 -4.471 6.123 -5.420 1.00 0.00 O ATOM 724 CB VAL A 54 -1.614 6.695 -4.358 1.00 0.00 C ATOM 725 CG1 VAL A 54 -1.784 6.890 -2.858 1.00 0.00 C ATOM 726 CG2 VAL A 54 -0.141 6.733 -4.741 1.00 0.00 C ATOM 0 H VAL A 54 -1.933 5.873 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.883 4.555 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.118 7.516 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.315 7.827 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.846 6.921 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.313 6.062 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.298 7.673 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.380 5.901 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.044 6.652 -5.824 1.00 0.00 H new ATOM 736 N PHE A 55 -4.291 4.840 -3.573 1.00 0.00 N ATOM 737 CA PHE A 55 -5.721 4.866 -3.276 1.00 0.00 C ATOM 738 C PHE A 55 -5.975 5.383 -1.859 1.00 0.00 C ATOM 739 O PHE A 55 -5.398 4.881 -0.892 1.00 0.00 O ATOM 740 CB PHE A 55 -6.326 3.468 -3.443 1.00 0.00 C ATOM 741 CG PHE A 55 -7.788 3.480 -3.805 1.00 0.00 C ATOM 742 CD1 PHE A 55 -8.727 4.024 -2.941 1.00 0.00 C ATOM 743 CD2 PHE A 55 -8.223 2.946 -5.008 1.00 0.00 C ATOM 744 CE1 PHE A 55 -10.068 4.035 -3.269 1.00 0.00 C ATOM 745 CE2 PHE A 55 -9.565 2.955 -5.342 1.00 0.00 C ATOM 746 CZ PHE A 55 -10.488 3.499 -4.472 1.00 0.00 C ATOM 0 H PHE A 55 -3.733 4.300 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.201 5.545 -3.981 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.774 2.933 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.195 2.912 -2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.405 4.444 -2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.506 2.518 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.788 4.462 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.890 2.537 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 55 -11.537 3.506 -4.731 1.00 0.00 H new ATOM 756 N ASP A 56 -6.843 6.389 -1.749 1.00 0.00 N ATOM 757 CA ASP A 56 -7.181 6.978 -0.455 1.00 0.00 C ATOM 758 C ASP A 56 -8.483 6.397 0.086 1.00 0.00 C ATOM 759 O ASP A 56 -9.422 6.146 -0.672 1.00 0.00 O ATOM 760 CB ASP A 56 -7.303 8.499 -0.576 1.00 0.00 C ATOM 761 CG ASP A 56 -6.775 9.219 0.650 1.00 0.00 C ATOM 762 OD1 ASP A 56 -5.548 9.439 0.725 1.00 0.00 O ATOM 763 OD2 ASP A 56 -7.590 9.562 1.533 1.00 0.00 O ATOM 0 H ASP A 56 -7.325 6.813 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.378 6.738 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.756 8.836 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.349 8.766 -0.729 1.00 0.00 H new ATOM 768 N ILE A 57 -8.537 6.188 1.401 1.00 0.00 N ATOM 769 CA ILE A 57 -9.729 5.637 2.042 1.00 0.00 C ATOM 770 C ILE A 57 -10.063 6.386 3.331 1.00 0.00 C ATOM 771 O ILE A 57 -9.881 5.865 4.435 1.00 0.00 O ATOM 772 CB ILE A 57 -9.571 4.129 2.343 1.00 0.00 C ATOM 773 CG1 ILE A 57 -8.247 3.853 3.062 1.00 0.00 C ATOM 774 CG2 ILE A 57 -9.659 3.323 1.056 1.00 0.00 C ATOM 775 CD1 ILE A 57 -8.290 2.641 3.963 1.00 0.00 C ATOM 0 H ILE A 57 -7.770 6.392 2.042 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.551 5.764 1.337 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.383 3.823 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.461 3.715 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.976 4.727 3.655 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.546 2.263 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.628 3.493 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.866 3.635 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.319 2.507 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.053 2.784 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.530 1.757 3.372 1.00 0.00 H new ATOM 787 N GLY A 58 -10.556 7.616 3.182 1.00 0.00 N ATOM 788 CA GLY A 58 -10.912 8.424 4.338 1.00 0.00 C ATOM 789 C GLY A 58 -12.389 8.779 4.387 1.00 0.00 C ATOM 790 O GLY A 58 -12.762 9.812 4.947 1.00 0.00 O ATOM 0 H GLY A 58 -10.715 8.067 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.644 7.885 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.324 9.342 4.327 1.00 0.00 H new ATOM 794 N SER A 59 -13.234 7.923 3.805 1.00 0.00 N ATOM 795 CA SER A 59 -14.679 8.156 3.790 1.00 0.00 C ATOM 796 C SER A 59 -15.448 6.849 3.993 1.00 0.00 C ATOM 797 O SER A 59 -16.448 6.593 3.318 1.00 0.00 O ATOM 798 CB SER A 59 -15.102 8.819 2.472 1.00 0.00 C ATOM 799 OG SER A 59 -14.138 9.766 2.037 1.00 0.00 O ATOM 0 H SER A 59 -12.942 7.064 3.339 1.00 0.00 H new ATOM 0 HA SER A 59 -14.920 8.826 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.236 8.056 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.065 9.312 2.603 1.00 0.00 H new ATOM 0 HG SER A 59 -14.434 10.171 1.195 1.00 0.00 H new ATOM 805 N LEU A 60 -14.972 6.022 4.927 1.00 0.00 N ATOM 806 CA LEU A 60 -15.610 4.739 5.220 1.00 0.00 C ATOM 807 C LEU A 60 -15.714 4.511 6.728 1.00 0.00 C ATOM 808 O LEU A 60 -14.698 4.451 7.422 1.00 0.00 O ATOM 809 CB LEU A 60 -14.828 3.584 4.583 1.00 0.00 C ATOM 810 CG LEU A 60 -14.111 3.912 3.270 1.00 0.00 C ATOM 811 CD1 LEU A 60 -12.703 4.421 3.540 1.00 0.00 C ATOM 812 CD2 LEU A 60 -14.071 2.687 2.368 1.00 0.00 C ATOM 0 H LEU A 60 -14.147 6.219 5.493 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.614 4.768 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.088 3.231 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.517 2.759 4.403 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.667 4.699 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.211 4.648 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.753 5.323 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.135 3.656 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.558 2.936 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.537 1.881 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.088 2.365 2.146 1.00 0.00 H new ATOM 824 N PRO A 61 -16.948 4.377 7.253 1.00 0.00 N ATOM 825 CA PRO A 61 -17.180 4.147 8.686 1.00 0.00 C ATOM 826 C PRO A 61 -16.767 2.742 9.126 1.00 0.00 C ATOM 827 O PRO A 61 -16.248 1.960 8.326 1.00 0.00 O ATOM 828 CB PRO A 61 -18.694 4.329 8.829 1.00 0.00 C ATOM 829 CG PRO A 61 -19.241 3.977 7.489 1.00 0.00 C ATOM 830 CD PRO A 61 -18.213 4.432 6.492 1.00 0.00 C ATOM 0 HA PRO A 61 -16.592 4.822 9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -19.100 3.681 9.606 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -18.946 5.353 9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.416 2.904 7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.198 4.470 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.185 3.781 5.619 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.421 5.439 6.132 1.00 0.00 H new ATOM 838 N ARG A 62 -17.002 2.426 10.402 1.00 0.00 N ATOM 839 CA ARG A 62 -16.655 1.113 10.946 1.00 0.00 C ATOM 840 C ARG A 62 -17.376 -0.008 10.194 1.00 0.00 C ATOM 841 O ARG A 62 -16.826 -1.093 10.019 1.00 0.00 O ATOM 842 CB ARG A 62 -16.987 1.042 12.441 1.00 0.00 C ATOM 843 CG ARG A 62 -15.960 1.734 13.327 1.00 0.00 C ATOM 844 CD ARG A 62 -15.588 0.880 14.532 1.00 0.00 C ATOM 845 NE ARG A 62 -14.221 1.141 14.992 1.00 0.00 N ATOM 846 CZ ARG A 62 -13.663 0.550 16.052 1.00 0.00 C ATOM 847 NH1 ARG A 62 -14.346 -0.338 16.770 1.00 0.00 N ATOM 848 NH2 ARG A 62 -12.414 0.845 16.396 1.00 0.00 N ATOM 0 H ARG A 62 -17.430 3.061 11.076 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.582 0.975 10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.964 1.495 12.610 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.065 -0.004 12.738 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.065 1.951 12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.358 2.690 13.668 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.287 1.077 15.345 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.688 -0.174 14.273 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.661 1.816 14.470 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.305 -0.573 16.513 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.911 -0.784 17.578 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.881 1.523 15.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.988 0.394 17.205 1.00 0.00 H new ATOM 862 N ASN A 63 -18.607 0.262 9.749 1.00 0.00 N ATOM 863 CA ASN A 63 -19.395 -0.728 9.014 1.00 0.00 C ATOM 864 C ASN A 63 -18.671 -1.169 7.744 1.00 0.00 C ATOM 865 O ASN A 63 -18.494 -2.364 7.505 1.00 0.00 O ATOM 866 CB ASN A 63 -20.777 -0.164 8.659 1.00 0.00 C ATOM 867 CG ASN A 63 -21.840 -0.546 9.675 1.00 0.00 C ATOM 868 OD1 ASN A 63 -21.537 -0.809 10.837 1.00 0.00 O ATOM 869 ND2 ASN A 63 -23.095 -0.580 9.240 1.00 0.00 N ATOM 0 H ASN A 63 -19.077 1.157 9.885 1.00 0.00 H new ATOM 0 HA ASN A 63 -19.524 -1.597 9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -20.716 0.922 8.592 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -21.072 -0.528 7.675 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -23.850 -0.831 9.879 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -23.304 -0.355 8.267 1.00 0.00 H new ATOM 876 N GLU A 64 -18.251 -0.197 6.935 1.00 0.00 N ATOM 877 CA GLU A 64 -17.542 -0.487 5.690 1.00 0.00 C ATOM 878 C GLU A 64 -16.131 -1.001 5.975 1.00 0.00 C ATOM 879 O GLU A 64 -15.681 -1.970 5.364 1.00 0.00 O ATOM 880 CB GLU A 64 -17.476 0.764 4.810 1.00 0.00 C ATOM 881 CG GLU A 64 -17.203 0.461 3.345 1.00 0.00 C ATOM 882 CD GLU A 64 -18.474 0.325 2.527 1.00 0.00 C ATOM 883 OE1 GLU A 64 -19.287 1.274 2.527 1.00 0.00 O ATOM 884 OE2 GLU A 64 -18.657 -0.731 1.887 1.00 0.00 O ATOM 0 H GLU A 64 -18.389 0.797 7.119 1.00 0.00 H new ATOM 0 HA GLU A 64 -18.093 -1.264 5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.418 1.306 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.695 1.424 5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.588 1.255 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.628 -0.462 3.270 1.00 0.00 H new ATOM 891 N GLN A 65 -15.440 -0.343 6.908 1.00 0.00 N ATOM 892 CA GLN A 65 -14.082 -0.727 7.280 1.00 0.00 C ATOM 893 C GLN A 65 -14.027 -2.173 7.772 1.00 0.00 C ATOM 894 O GLN A 65 -13.043 -2.875 7.537 1.00 0.00 O ATOM 895 CB GLN A 65 -13.545 0.215 8.362 1.00 0.00 C ATOM 896 CG GLN A 65 -12.956 1.506 7.813 1.00 0.00 C ATOM 897 CD GLN A 65 -11.444 1.569 7.948 1.00 0.00 C ATOM 898 OE1 GLN A 65 -10.777 0.544 8.101 1.00 0.00 O ATOM 899 NE2 GLN A 65 -10.894 2.776 7.892 1.00 0.00 N ATOM 0 H GLN A 65 -15.803 0.461 7.420 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.457 -0.649 6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.353 0.459 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.781 -0.306 8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.227 1.605 6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.398 2.353 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.483 3.599 7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.883 2.880 7.977 1.00 0.00 H new ATOM 908 N GLU A 66 -15.084 -2.615 8.457 1.00 0.00 N ATOM 909 CA GLU A 66 -15.151 -3.979 8.979 1.00 0.00 C ATOM 910 C GLU A 66 -15.001 -5.006 7.856 1.00 0.00 C ATOM 911 O GLU A 66 -14.199 -5.936 7.959 1.00 0.00 O ATOM 912 CB GLU A 66 -16.471 -4.206 9.721 1.00 0.00 C ATOM 913 CG GLU A 66 -16.468 -5.440 10.609 1.00 0.00 C ATOM 914 CD GLU A 66 -16.829 -5.127 12.048 1.00 0.00 C ATOM 915 OE1 GLU A 66 -15.931 -4.707 12.808 1.00 0.00 O ATOM 916 OE2 GLU A 66 -18.010 -5.300 12.414 1.00 0.00 O ATOM 0 H GLU A 66 -15.905 -2.046 8.663 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.324 -4.109 9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.690 -3.330 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.277 -4.295 8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.174 -6.170 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.481 -5.902 10.579 1.00 0.00 H new ATOM 923 N LYS A 67 -15.775 -4.830 6.784 1.00 0.00 N ATOM 924 CA LYS A 67 -15.724 -5.742 5.643 1.00 0.00 C ATOM 925 C LYS A 67 -14.327 -5.770 5.026 1.00 0.00 C ATOM 926 O LYS A 67 -13.815 -6.834 4.676 1.00 0.00 O ATOM 927 CB LYS A 67 -16.754 -5.332 4.586 1.00 0.00 C ATOM 928 CG LYS A 67 -18.024 -6.168 4.610 1.00 0.00 C ATOM 929 CD LYS A 67 -19.270 -5.297 4.585 1.00 0.00 C ATOM 930 CE LYS A 67 -19.941 -5.245 5.950 1.00 0.00 C ATOM 931 NZ LYS A 67 -20.413 -3.874 6.288 1.00 0.00 N ATOM 0 H LYS A 67 -16.443 -4.066 6.683 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.962 -6.743 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -17.017 -4.285 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.298 -5.409 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -18.033 -6.841 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -18.033 -6.791 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.004 -4.288 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -19.972 -5.686 3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.786 -5.933 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.240 -5.585 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.355 -3.929 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.748 -3.432 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -20.467 -3.302 5.421 1.00 0.00 H new ATOM 945 N TRP A 68 -13.713 -4.594 4.902 1.00 0.00 N ATOM 946 CA TRP A 68 -12.372 -4.484 4.332 1.00 0.00 C ATOM 947 C TRP A 68 -11.328 -5.104 5.260 1.00 0.00 C ATOM 948 O TRP A 68 -10.321 -5.642 4.799 1.00 0.00 O ATOM 949 CB TRP A 68 -12.031 -3.016 4.055 1.00 0.00 C ATOM 950 CG TRP A 68 -12.398 -2.567 2.671 1.00 0.00 C ATOM 951 CD1 TRP A 68 -11.548 -2.102 1.711 1.00 0.00 C ATOM 952 CD2 TRP A 68 -13.711 -2.536 2.095 1.00 0.00 C ATOM 953 NE1 TRP A 68 -12.249 -1.784 0.573 1.00 0.00 N ATOM 954 CE2 TRP A 68 -13.578 -2.040 0.784 1.00 0.00 C ATOM 955 CE3 TRP A 68 -14.985 -2.877 2.557 1.00 0.00 C ATOM 956 CZ2 TRP A 68 -14.668 -1.880 -0.067 1.00 0.00 C ATOM 957 CZ3 TRP A 68 -16.066 -2.717 1.712 1.00 0.00 C ATOM 958 CH2 TRP A 68 -15.902 -2.223 0.412 1.00 0.00 C ATOM 0 H TRP A 68 -14.123 -3.705 5.189 1.00 0.00 H new ATOM 0 HA TRP A 68 -12.358 -5.034 3.391 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -12.547 -2.388 4.781 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -10.962 -2.865 4.206 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -10.479 -1.999 1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -11.845 -1.417 -0.289 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -15.122 -3.259 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -14.543 -1.499 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -17.055 -2.977 2.060 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -16.767 -2.111 -0.225 1.00 0.00 H new ATOM 969 N ARG A 69 -11.574 -5.027 6.572 1.00 0.00 N ATOM 970 CA ARG A 69 -10.659 -5.585 7.567 1.00 0.00 C ATOM 971 C ARG A 69 -10.427 -7.075 7.321 1.00 0.00 C ATOM 972 O ARG A 69 -9.288 -7.543 7.328 1.00 0.00 O ATOM 973 CB ARG A 69 -11.207 -5.372 8.984 1.00 0.00 C ATOM 974 CG ARG A 69 -10.358 -4.441 9.836 1.00 0.00 C ATOM 975 CD ARG A 69 -10.337 -4.880 11.294 1.00 0.00 C ATOM 976 NE ARG A 69 -9.113 -4.458 11.977 1.00 0.00 N ATOM 977 CZ ARG A 69 -8.894 -3.219 12.428 1.00 0.00 C ATOM 978 NH1 ARG A 69 -9.816 -2.271 12.275 1.00 0.00 N ATOM 979 NH2 ARG A 69 -7.749 -2.927 13.036 1.00 0.00 N ATOM 0 H ARG A 69 -12.402 -4.582 6.968 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.706 -5.064 7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.217 -4.968 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -11.283 -6.338 9.483 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.340 -4.418 9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.748 -3.426 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.202 -4.464 11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.426 -5.965 11.347 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.381 -5.154 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.698 -2.488 11.811 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.641 -1.328 12.622 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.038 -3.648 13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.581 -1.982 13.380 1.00 0.00 H new ATOM 993 N ILE A 70 -11.515 -7.815 7.104 1.00 0.00 N ATOM 994 CA ILE A 70 -11.432 -9.253 6.859 1.00 0.00 C ATOM 995 C ILE A 70 -10.968 -9.544 5.431 1.00 0.00 C ATOM 996 O ILE A 70 -10.115 -10.406 5.214 1.00 0.00 O ATOM 997 CB ILE A 70 -12.789 -9.953 7.102 1.00 0.00 C ATOM 998 CG1 ILE A 70 -13.363 -9.554 8.467 1.00 0.00 C ATOM 999 CG2 ILE A 70 -12.630 -11.466 7.009 1.00 0.00 C ATOM 1000 CD1 ILE A 70 -14.845 -9.246 8.436 1.00 0.00 C ATOM 0 H ILE A 70 -12.464 -7.441 7.093 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.701 -9.648 7.564 1.00 0.00 H new ATOM 0 HB ILE A 70 -13.488 -9.631 6.330 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.183 -10.361 9.177 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.827 -8.680 8.836 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.594 -11.944 7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.265 -11.733 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -11.917 -11.804 7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -15.181 -8.972 9.436 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -15.030 -8.418 7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.392 -10.126 8.098 1.00 0.00 H new ATOM 1012 N ALA A 71 -11.541 -8.826 4.463 1.00 0.00 N ATOM 1013 CA ALA A 71 -11.194 -9.009 3.052 1.00 0.00 C ATOM 1014 C ALA A 71 -9.691 -8.855 2.817 1.00 0.00 C ATOM 1015 O ALA A 71 -9.060 -9.725 2.215 1.00 0.00 O ATOM 1016 CB ALA A 71 -11.970 -8.028 2.184 1.00 0.00 C ATOM 0 H ALA A 71 -12.249 -8.111 4.631 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.470 -10.026 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.701 -8.176 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.039 -8.196 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -11.726 -7.008 2.480 1.00 0.00 H new ATOM 1022 N PHE A 72 -9.122 -7.744 3.290 1.00 0.00 N ATOM 1023 CA PHE A 72 -7.693 -7.479 3.124 1.00 0.00 C ATOM 1024 C PHE A 72 -6.849 -8.554 3.809 1.00 0.00 C ATOM 1025 O PHE A 72 -5.923 -9.099 3.208 1.00 0.00 O ATOM 1026 CB PHE A 72 -7.336 -6.097 3.680 1.00 0.00 C ATOM 1027 CG PHE A 72 -6.528 -5.247 2.732 1.00 0.00 C ATOM 1028 CD1 PHE A 72 -6.934 -5.066 1.419 1.00 0.00 C ATOM 1029 CD2 PHE A 72 -5.361 -4.632 3.158 1.00 0.00 C ATOM 1030 CE1 PHE A 72 -6.194 -4.288 0.550 1.00 0.00 C ATOM 1031 CE2 PHE A 72 -4.617 -3.850 2.293 1.00 0.00 C ATOM 1032 CZ PHE A 72 -5.034 -3.678 0.987 1.00 0.00 C ATOM 0 H PHE A 72 -9.629 -7.014 3.791 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.472 -7.500 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.256 -5.569 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.776 -6.223 4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.840 -5.539 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.029 -4.765 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.522 -4.157 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.711 -3.374 2.638 1.00 0.00 H new ATOM 0 HZ PHE A 72 -4.455 -3.068 0.310 1.00 0.00 H new ATOM 1042 N GLN A 73 -7.178 -8.863 5.066 1.00 0.00 N ATOM 1043 CA GLN A 73 -6.445 -9.880 5.825 1.00 0.00 C ATOM 1044 C GLN A 73 -6.532 -11.254 5.152 1.00 0.00 C ATOM 1045 O GLN A 73 -5.669 -12.108 5.356 1.00 0.00 O ATOM 1046 CB GLN A 73 -6.978 -9.971 7.256 1.00 0.00 C ATOM 1047 CG GLN A 73 -5.927 -9.672 8.314 1.00 0.00 C ATOM 1048 CD GLN A 73 -6.391 -10.023 9.716 1.00 0.00 C ATOM 1049 OE1 GLN A 73 -7.388 -9.488 10.204 1.00 0.00 O ATOM 1050 NE2 GLN A 73 -5.670 -10.924 10.371 1.00 0.00 N ATOM 0 H GLN A 73 -7.944 -8.426 5.578 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.398 -9.577 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -7.807 -9.273 7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.377 -10.971 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.019 -10.230 8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.669 -8.614 8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.852 -11.342 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.934 -11.199 11.317 1.00 0.00 H new ATOM 1059 N LYS A 74 -7.574 -11.462 4.347 1.00 0.00 N ATOM 1060 CA LYS A 74 -7.763 -12.726 3.648 1.00 0.00 C ATOM 1061 C LYS A 74 -6.883 -12.802 2.398 1.00 0.00 C ATOM 1062 O LYS A 74 -6.456 -13.885 1.998 1.00 0.00 O ATOM 1063 CB LYS A 74 -9.234 -12.888 3.258 1.00 0.00 C ATOM 1064 CG LYS A 74 -9.815 -14.251 3.605 1.00 0.00 C ATOM 1065 CD LYS A 74 -11.228 -14.132 4.161 1.00 0.00 C ATOM 1066 CE LYS A 74 -12.268 -14.127 3.053 1.00 0.00 C ATOM 1067 NZ LYS A 74 -13.657 -14.116 3.592 1.00 0.00 N ATOM 0 H LYS A 74 -8.299 -10.768 4.165 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.472 -13.534 4.319 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.820 -12.116 3.757 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.336 -12.722 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.825 -14.880 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.176 -14.744 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.423 -14.962 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.314 -13.216 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.118 -13.253 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.131 -15.006 2.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.335 -14.113 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.809 -14.963 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.797 -13.265 4.173 1.00 0.00 H new ATOM 1081 N VAL A 75 -6.621 -11.648 1.781 1.00 0.00 N ATOM 1082 CA VAL A 75 -5.802 -11.589 0.575 1.00 0.00 C ATOM 1083 C VAL A 75 -4.315 -11.480 0.913 1.00 0.00 C ATOM 1084 O VAL A 75 -3.494 -12.205 0.351 1.00 0.00 O ATOM 1085 CB VAL A 75 -6.204 -10.403 -0.331 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -5.455 -10.460 -1.657 1.00 0.00 C ATOM 1087 CG2 VAL A 75 -7.710 -10.385 -0.562 1.00 0.00 C ATOM 0 H VAL A 75 -6.966 -10.742 2.099 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.978 -12.520 0.037 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.928 -9.479 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.753 -9.616 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.382 -10.413 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.694 -11.392 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.970 -9.542 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.015 -11.314 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.224 -10.286 0.394 1.00 0.00 H new ATOM 1097 N VAL A 76 -3.971 -10.566 1.821 1.00 0.00 N ATOM 1098 CA VAL A 76 -2.576 -10.370 2.208 1.00 0.00 C ATOM 1099 C VAL A 76 -2.316 -10.748 3.669 1.00 0.00 C ATOM 1100 O VAL A 76 -1.260 -11.294 3.993 1.00 0.00 O ATOM 1101 CB VAL A 76 -2.108 -8.915 1.971 1.00 0.00 C ATOM 1102 CG1 VAL A 76 -2.208 -8.556 0.495 1.00 0.00 C ATOM 1103 CG2 VAL A 76 -2.904 -7.934 2.823 1.00 0.00 C ATOM 0 H VAL A 76 -4.634 -9.955 2.298 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.000 -11.038 1.568 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.063 -8.843 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.875 -7.529 0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.578 -9.229 -0.087 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.243 -8.653 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.552 -6.920 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.961 -8.005 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.769 -8.175 3.877 1.00 0.00 H new ATOM 1113 N GLY A 77 -3.273 -10.449 4.547 1.00 0.00 N ATOM 1114 CA GLY A 77 -3.111 -10.760 5.960 1.00 0.00 C ATOM 1115 C GLY A 77 -2.470 -9.621 6.734 1.00 0.00 C ATOM 1116 O GLY A 77 -1.722 -9.855 7.685 1.00 0.00 O ATOM 0 H GLY A 77 -4.156 -9.998 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.085 -10.987 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.499 -11.656 6.064 1.00 0.00 H new ATOM 1120 N SER A 78 -2.762 -8.382 6.327 1.00 0.00 N ATOM 1121 CA SER A 78 -2.214 -7.202 6.985 1.00 0.00 C ATOM 1122 C SER A 78 -3.004 -5.953 6.601 1.00 0.00 C ATOM 1123 O SER A 78 -2.723 -5.311 5.586 1.00 0.00 O ATOM 1124 CB SER A 78 -0.735 -7.029 6.622 1.00 0.00 C ATOM 1125 OG SER A 78 0.079 -7.057 7.781 1.00 0.00 O ATOM 0 H SER A 78 -3.378 -8.174 5.541 1.00 0.00 H new ATOM 0 HA SER A 78 -2.296 -7.341 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.429 -7.822 5.939 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.594 -6.084 6.097 1.00 0.00 H new ATOM 0 HG SER A 78 1.018 -6.946 7.524 1.00 0.00 H new ATOM 1131 N ARG A 79 -3.996 -5.610 7.425 1.00 0.00 N ATOM 1132 CA ARG A 79 -4.833 -4.438 7.183 1.00 0.00 C ATOM 1133 C ARG A 79 -4.344 -3.238 8.002 1.00 0.00 C ATOM 1134 O ARG A 79 -5.141 -2.412 8.452 1.00 0.00 O ATOM 1135 CB ARG A 79 -6.291 -4.753 7.528 1.00 0.00 C ATOM 1136 CG ARG A 79 -7.293 -4.069 6.614 1.00 0.00 C ATOM 1137 CD ARG A 79 -8.145 -3.061 7.372 1.00 0.00 C ATOM 1138 NE ARG A 79 -7.630 -1.701 7.237 1.00 0.00 N ATOM 1139 CZ ARG A 79 -7.658 -1.002 6.100 1.00 0.00 C ATOM 1140 NH1 ARG A 79 -8.192 -1.524 5.000 1.00 0.00 N ATOM 1141 NH2 ARG A 79 -7.151 0.225 6.064 1.00 0.00 N ATOM 0 H ARG A 79 -4.238 -6.131 8.268 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.764 -4.180 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.443 -5.831 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.486 -4.451 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.764 -3.564 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.937 -4.818 6.154 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.169 -3.100 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.178 -3.334 8.427 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.224 -1.258 8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.584 -2.465 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.209 -0.983 4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.741 0.632 6.904 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.172 0.760 5.196 1.00 0.00 H new ATOM 1155 N ASN A 80 -3.026 -3.150 8.189 1.00 0.00 N ATOM 1156 CA ASN A 80 -2.427 -2.057 8.950 1.00 0.00 C ATOM 1157 C ASN A 80 -1.978 -0.933 8.021 1.00 0.00 C ATOM 1158 O ASN A 80 -1.041 -1.101 7.240 1.00 0.00 O ATOM 1159 CB ASN A 80 -1.236 -2.569 9.767 1.00 0.00 C ATOM 1160 CG ASN A 80 -0.632 -1.495 10.654 1.00 0.00 C ATOM 1161 OD1 ASN A 80 -0.997 -1.364 11.822 1.00 0.00 O ATOM 1162 ND2 ASN A 80 0.296 -0.720 10.103 1.00 0.00 N ATOM 0 H ASN A 80 -2.354 -3.824 7.823 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.181 -1.662 9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.558 -3.407 10.385 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.471 -2.948 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.736 0.018 10.652 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.569 -0.864 9.131 1.00 0.00 H new ATOM 1169 N LEU A 81 -2.646 0.217 8.120 1.00 0.00 N ATOM 1170 CA LEU A 81 -2.305 1.373 7.289 1.00 0.00 C ATOM 1171 C LEU A 81 -1.280 2.267 7.989 1.00 0.00 C ATOM 1172 O LEU A 81 -1.278 2.375 9.217 1.00 0.00 O ATOM 1173 CB LEU A 81 -3.554 2.197 6.932 1.00 0.00 C ATOM 1174 CG LEU A 81 -4.647 2.273 8.005 1.00 0.00 C ATOM 1175 CD1 LEU A 81 -4.095 2.841 9.307 1.00 0.00 C ATOM 1176 CD2 LEU A 81 -5.815 3.114 7.513 1.00 0.00 C ATOM 0 H LEU A 81 -3.422 0.373 8.763 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.869 0.989 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.237 3.212 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.992 1.779 6.026 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.002 1.261 8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.890 2.884 10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.291 2.201 9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.708 3.845 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.582 3.158 8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.468 4.122 7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.233 2.665 6.612 1.00 0.00 H new ATOM 1188 N PRO A 82 -0.389 2.923 7.217 1.00 0.00 N ATOM 1189 CA PRO A 82 -0.355 2.821 5.750 1.00 0.00 C ATOM 1190 C PRO A 82 0.155 1.462 5.275 1.00 0.00 C ATOM 1191 O PRO A 82 1.216 1.000 5.702 1.00 0.00 O ATOM 1192 CB PRO A 82 0.619 3.934 5.326 1.00 0.00 C ATOM 1193 CG PRO A 82 0.866 4.747 6.554 1.00 0.00 C ATOM 1194 CD PRO A 82 0.660 3.820 7.714 1.00 0.00 C ATOM 0 HA PRO A 82 -1.350 2.923 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.549 3.515 4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.192 4.546 4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.877 5.154 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.181 5.594 6.605 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.571 3.278 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.346 4.355 8.611 1.00 0.00 H new ATOM 1202 N THR A 83 -0.613 0.823 4.393 1.00 0.00 N ATOM 1203 CA THR A 83 -0.246 -0.489 3.862 1.00 0.00 C ATOM 1204 C THR A 83 0.334 -0.365 2.455 1.00 0.00 C ATOM 1205 O THR A 83 -0.248 0.296 1.591 1.00 0.00 O ATOM 1206 CB THR A 83 -1.460 -1.425 3.839 1.00 0.00 C ATOM 1207 OG1 THR A 83 -2.454 -1.001 4.757 1.00 0.00 O ATOM 1208 CG2 THR A 83 -1.113 -2.860 4.172 1.00 0.00 C ATOM 0 H THR A 83 -1.492 1.192 4.031 1.00 0.00 H new ATOM 0 HA THR A 83 0.514 -0.911 4.519 1.00 0.00 H new ATOM 0 HB THR A 83 -1.831 -1.380 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.118 -1.102 5.672 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.016 -3.470 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.393 -3.238 3.447 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.680 -2.907 5.171 1.00 0.00 H new ATOM 1216 N ILE A 84 1.479 -1.009 2.231 1.00 0.00 N ATOM 1217 CA ILE A 84 2.136 -0.978 0.929 1.00 0.00 C ATOM 1218 C ILE A 84 2.205 -2.379 0.322 1.00 0.00 C ATOM 1219 O ILE A 84 2.937 -3.242 0.812 1.00 0.00 O ATOM 1220 CB ILE A 84 3.567 -0.401 1.038 1.00 0.00 C ATOM 1221 CG1 ILE A 84 3.553 0.943 1.778 1.00 0.00 C ATOM 1222 CG2 ILE A 84 4.195 -0.248 -0.342 1.00 0.00 C ATOM 1223 CD1 ILE A 84 4.606 1.047 2.861 1.00 0.00 C ATOM 0 H ILE A 84 1.970 -1.559 2.936 1.00 0.00 H new ATOM 0 HA ILE A 84 1.542 -0.332 0.282 1.00 0.00 H new ATOM 0 HB ILE A 84 4.174 -1.102 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.703 1.747 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.569 1.094 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.201 0.159 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.245 -1.222 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.589 0.428 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.538 2.023 3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.444 0.265 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.595 0.928 2.419 1.00 0.00 H new ATOM 1235 N VAL A 85 1.445 -2.595 -0.754 1.00 0.00 N ATOM 1236 CA VAL A 85 1.427 -3.888 -1.435 1.00 0.00 C ATOM 1237 C VAL A 85 2.084 -3.788 -2.811 1.00 0.00 C ATOM 1238 O VAL A 85 1.662 -2.995 -3.655 1.00 0.00 O ATOM 1239 CB VAL A 85 -0.007 -4.448 -1.590 1.00 0.00 C ATOM 1240 CG1 VAL A 85 -0.521 -4.978 -0.259 1.00 0.00 C ATOM 1241 CG2 VAL A 85 -0.955 -3.397 -2.154 1.00 0.00 C ATOM 0 H VAL A 85 0.835 -1.891 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 85 1.994 -4.577 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 85 0.032 -5.274 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.531 -5.368 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.134 -5.776 0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.534 -4.171 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.954 -3.822 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.989 -2.540 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.601 -3.076 -3.134 1.00 0.00 H new ATOM 1251 N VAL A 86 3.124 -4.593 -3.022 1.00 0.00 N ATOM 1252 CA VAL A 86 3.852 -4.600 -4.287 1.00 0.00 C ATOM 1253 C VAL A 86 3.871 -6.000 -4.896 1.00 0.00 C ATOM 1254 O VAL A 86 4.245 -6.967 -4.230 1.00 0.00 O ATOM 1255 CB VAL A 86 5.305 -4.108 -4.103 1.00 0.00 C ATOM 1256 CG1 VAL A 86 5.998 -3.940 -5.448 1.00 0.00 C ATOM 1257 CG2 VAL A 86 5.334 -2.805 -3.314 1.00 0.00 C ATOM 0 H VAL A 86 3.482 -5.251 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 86 3.331 -3.919 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 86 5.849 -4.864 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.019 -3.593 -5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.016 -4.897 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.455 -3.210 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.366 -2.475 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.768 -2.043 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.888 -2.964 -2.332 1.00 0.00 H new ATOM 1267 N ASN A 87 3.463 -6.100 -6.162 1.00 0.00 N ATOM 1268 CA ASN A 87 3.427 -7.382 -6.867 1.00 0.00 C ATOM 1269 C ASN A 87 2.482 -8.367 -6.174 1.00 0.00 C ATOM 1270 O ASN A 87 2.772 -9.561 -6.082 1.00 0.00 O ATOM 1271 CB ASN A 87 4.837 -7.978 -6.966 1.00 0.00 C ATOM 1272 CG ASN A 87 5.549 -7.585 -8.247 1.00 0.00 C ATOM 1273 OD1 ASN A 87 5.502 -6.429 -8.667 1.00 0.00 O ATOM 1274 ND2 ASN A 87 6.217 -8.548 -8.875 1.00 0.00 N ATOM 0 H ASN A 87 3.152 -5.306 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 87 3.049 -7.202 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.427 -7.649 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.773 -9.065 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.717 -8.342 -9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.230 -9.493 -8.492 1.00 0.00 H new ATOM 1281 N GLY A 88 1.347 -7.857 -5.690 1.00 0.00 N ATOM 1282 CA GLY A 88 0.373 -8.698 -5.014 1.00 0.00 C ATOM 1283 C GLY A 88 0.931 -9.360 -3.769 1.00 0.00 C ATOM 1284 O GLY A 88 0.798 -10.573 -3.592 1.00 0.00 O ATOM 0 H GLY A 88 1.087 -6.873 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.494 -8.096 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 88 0.023 -9.467 -5.703 1.00 0.00 H new ATOM 1288 N LYS A 89 1.554 -8.562 -2.908 1.00 0.00 N ATOM 1289 CA LYS A 89 2.137 -9.063 -1.669 1.00 0.00 C ATOM 1290 C LYS A 89 2.624 -7.913 -0.794 1.00 0.00 C ATOM 1291 O LYS A 89 3.273 -6.981 -1.273 1.00 0.00 O ATOM 1292 CB LYS A 89 3.295 -10.023 -1.964 1.00 0.00 C ATOM 1293 CG LYS A 89 4.313 -9.471 -2.948 1.00 0.00 C ATOM 1294 CD LYS A 89 5.474 -10.428 -3.156 1.00 0.00 C ATOM 1295 CE LYS A 89 5.899 -10.473 -4.615 1.00 0.00 C ATOM 1296 NZ LYS A 89 6.516 -11.779 -4.981 1.00 0.00 N ATOM 0 H LYS A 89 1.668 -7.558 -3.048 1.00 0.00 H new ATOM 0 HA LYS A 89 1.360 -9.606 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.801 -10.265 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.891 -10.955 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.826 -9.277 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.690 -8.516 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.318 -10.119 -2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.188 -11.427 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.032 -10.292 -5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.610 -9.670 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.790 -11.764 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.359 -11.941 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.830 -12.544 -4.821 1.00 0.00 H new ATOM 1310 N PHE A 90 2.300 -7.991 0.492 1.00 0.00 N ATOM 1311 CA PHE A 90 2.697 -6.968 1.460 1.00 0.00 C ATOM 1312 C PHE A 90 4.210 -6.970 1.665 1.00 0.00 C ATOM 1313 O PHE A 90 4.761 -7.873 2.299 1.00 0.00 O ATOM 1314 CB PHE A 90 1.979 -7.194 2.796 1.00 0.00 C ATOM 1315 CG PHE A 90 2.324 -6.187 3.860 1.00 0.00 C ATOM 1316 CD1 PHE A 90 3.497 -6.303 4.590 1.00 0.00 C ATOM 1317 CD2 PHE A 90 1.472 -5.129 4.134 1.00 0.00 C ATOM 1318 CE1 PHE A 90 3.814 -5.384 5.568 1.00 0.00 C ATOM 1319 CE2 PHE A 90 1.784 -4.207 5.113 1.00 0.00 C ATOM 1320 CZ PHE A 90 2.955 -4.334 5.830 1.00 0.00 C ATOM 0 H PHE A 90 1.759 -8.757 0.893 1.00 0.00 H new ATOM 0 HA PHE A 90 2.408 -5.994 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.903 -7.171 2.626 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.223 -8.191 3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.171 -7.123 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.554 -5.025 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.732 -5.485 6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.112 -3.387 5.317 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.201 -3.613 6.596 1.00 0.00 H new ATOM 1330 N TRP A 91 4.874 -5.954 1.122 1.00 0.00 N ATOM 1331 CA TRP A 91 6.324 -5.828 1.241 1.00 0.00 C ATOM 1332 C TRP A 91 6.717 -4.555 2.003 1.00 0.00 C ATOM 1333 O TRP A 91 7.802 -4.491 2.583 1.00 0.00 O ATOM 1334 CB TRP A 91 6.974 -5.831 -0.148 1.00 0.00 C ATOM 1335 CG TRP A 91 8.431 -6.203 -0.136 1.00 0.00 C ATOM 1336 CD1 TRP A 91 9.164 -6.632 0.936 1.00 0.00 C ATOM 1337 CD2 TRP A 91 9.333 -6.180 -1.251 1.00 0.00 C ATOM 1338 NE1 TRP A 91 10.461 -6.874 0.555 1.00 0.00 N ATOM 1339 CE2 TRP A 91 10.591 -6.607 -0.782 1.00 0.00 C ATOM 1340 CE3 TRP A 91 9.197 -5.843 -2.602 1.00 0.00 C ATOM 1341 CZ2 TRP A 91 11.704 -6.699 -1.614 1.00 0.00 C ATOM 1342 CZ3 TRP A 91 10.303 -5.936 -3.425 1.00 0.00 C ATOM 1343 CH2 TRP A 91 11.540 -6.365 -2.930 1.00 0.00 C ATOM 0 H TRP A 91 4.430 -5.203 0.593 1.00 0.00 H new ATOM 0 HA TRP A 91 6.686 -6.685 1.809 1.00 0.00 H new ATOM 0 HB2 TRP A 91 6.436 -6.529 -0.789 1.00 0.00 H new ATOM 0 HB3 TRP A 91 6.865 -4.841 -0.592 1.00 0.00 H new ATOM 0 HD1 TRP A 91 8.779 -6.762 1.937 1.00 0.00 H new ATOM 0 HE1 TRP A 91 11.207 -7.200 1.169 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.245 -5.516 -2.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 12.662 -7.022 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.211 -5.673 -4.468 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.383 -6.434 -3.602 1.00 0.00 H new ATOM 1354 N GLY A 92 5.838 -3.546 2.001 1.00 0.00 N ATOM 1355 CA GLY A 92 6.138 -2.306 2.694 1.00 0.00 C ATOM 1356 C GLY A 92 5.242 -2.063 3.892 1.00 0.00 C ATOM 1357 O GLY A 92 4.038 -2.316 3.837 1.00 0.00 O ATOM 0 H GLY A 92 4.932 -3.570 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.177 -2.322 3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.037 -1.474 1.997 1.00 0.00 H new ATOM 1361 N THR A 93 5.838 -1.560 4.971 1.00 0.00 N ATOM 1362 CA THR A 93 5.101 -1.265 6.200 1.00 0.00 C ATOM 1363 C THR A 93 5.228 0.215 6.565 1.00 0.00 C ATOM 1364 O THR A 93 5.889 0.982 5.862 1.00 0.00 O ATOM 1365 CB THR A 93 5.620 -2.127 7.358 1.00 0.00 C ATOM 1366 OG1 THR A 93 6.249 -3.306 6.887 1.00 0.00 O ATOM 1367 CG2 THR A 93 4.537 -2.545 8.328 1.00 0.00 C ATOM 0 H THR A 93 6.834 -1.347 5.020 1.00 0.00 H new ATOM 0 HA THR A 93 4.050 -1.497 6.026 1.00 0.00 H new ATOM 0 HB THR A 93 6.333 -1.488 7.879 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.601 -3.846 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.974 -3.152 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.075 -1.658 8.762 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.781 -3.127 7.801 1.00 0.00 H new ATOM 1375 N GLU A 94 4.604 0.608 7.677 1.00 0.00 N ATOM 1376 CA GLU A 94 4.659 1.992 8.140 1.00 0.00 C ATOM 1377 C GLU A 94 6.049 2.339 8.680 1.00 0.00 C ATOM 1378 O GLU A 94 6.527 3.462 8.509 1.00 0.00 O ATOM 1379 CB GLU A 94 3.598 2.247 9.216 1.00 0.00 C ATOM 1380 CG GLU A 94 3.793 1.440 10.495 1.00 0.00 C ATOM 1381 CD GLU A 94 2.885 1.907 11.618 1.00 0.00 C ATOM 1382 OE1 GLU A 94 1.689 1.549 11.601 1.00 0.00 O ATOM 1383 OE2 GLU A 94 3.373 2.630 12.512 1.00 0.00 O ATOM 0 H GLU A 94 4.056 -0.013 8.272 1.00 0.00 H new ATOM 0 HA GLU A 94 4.453 2.635 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.599 3.308 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.616 2.018 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.600 0.387 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.832 1.517 10.815 1.00 0.00 H new ATOM 1390 N SER A 95 6.692 1.369 9.334 1.00 0.00 N ATOM 1391 CA SER A 95 8.024 1.576 9.903 1.00 0.00 C ATOM 1392 C SER A 95 9.129 1.108 8.953 1.00 0.00 C ATOM 1393 O SER A 95 10.256 1.597 9.024 1.00 0.00 O ATOM 1394 CB SER A 95 8.151 0.846 11.242 1.00 0.00 C ATOM 1395 OG SER A 95 7.683 1.654 12.308 1.00 0.00 O ATOM 0 H SER A 95 6.312 0.434 9.482 1.00 0.00 H new ATOM 0 HA SER A 95 8.146 2.648 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.582 -0.083 11.209 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.193 0.576 11.416 1.00 0.00 H new ATOM 0 HG SER A 95 7.773 1.165 13.153 1.00 0.00 H new ATOM 1401 N GLN A 96 8.808 0.162 8.067 1.00 0.00 N ATOM 1402 CA GLN A 96 9.789 -0.358 7.114 1.00 0.00 C ATOM 1403 C GLN A 96 10.451 0.775 6.326 1.00 0.00 C ATOM 1404 O GLN A 96 11.629 0.687 5.974 1.00 0.00 O ATOM 1405 CB GLN A 96 9.133 -1.345 6.149 1.00 0.00 C ATOM 1406 CG GLN A 96 10.114 -2.324 5.521 1.00 0.00 C ATOM 1407 CD GLN A 96 9.797 -3.771 5.853 1.00 0.00 C ATOM 1408 OE1 GLN A 96 8.635 -4.153 5.980 1.00 0.00 O ATOM 1409 NE2 GLN A 96 10.837 -4.586 5.997 1.00 0.00 N ATOM 0 H GLN A 96 7.881 -0.257 7.990 1.00 0.00 H new ATOM 0 HA GLN A 96 10.559 -0.877 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.364 -1.905 6.682 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.631 -0.788 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.106 -2.195 4.439 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.122 -2.090 5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.785 -4.228 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.687 -5.570 6.221 1.00 0.00 H new ATOM 1418 N LEU A 97 9.693 1.839 6.058 1.00 0.00 N ATOM 1419 CA LEU A 97 10.214 2.990 5.317 1.00 0.00 C ATOM 1420 C LEU A 97 11.339 3.668 6.096 1.00 0.00 C ATOM 1421 O LEU A 97 12.419 3.912 5.555 1.00 0.00 O ATOM 1422 CB LEU A 97 9.097 4.001 5.031 1.00 0.00 C ATOM 1423 CG LEU A 97 7.806 3.408 4.458 1.00 0.00 C ATOM 1424 CD1 LEU A 97 6.630 4.340 4.720 1.00 0.00 C ATOM 1425 CD2 LEU A 97 7.960 3.135 2.967 1.00 0.00 C ATOM 0 H LEU A 97 8.717 1.928 6.342 1.00 0.00 H new ATOM 0 HA LEU A 97 10.611 2.627 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.857 4.524 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.475 4.747 4.333 1.00 0.00 H new ATOM 0 HG LEU A 97 7.607 2.460 4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.721 3.904 4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.509 4.480 5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.817 5.304 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.033 2.714 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.182 4.067 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.775 2.428 2.809 1.00 0.00 H new ATOM 1437 N HIS A 98 11.082 3.961 7.370 1.00 0.00 N ATOM 1438 CA HIS A 98 12.076 4.604 8.229 1.00 0.00 C ATOM 1439 C HIS A 98 13.301 3.706 8.417 1.00 0.00 C ATOM 1440 O HIS A 98 14.426 4.195 8.516 1.00 0.00 O ATOM 1441 CB HIS A 98 11.465 4.949 9.594 1.00 0.00 C ATOM 1442 CG HIS A 98 12.079 6.150 10.249 1.00 0.00 C ATOM 1443 ND1 HIS A 98 12.449 6.176 11.578 1.00 0.00 N ATOM 1444 CD2 HIS A 98 12.385 7.375 9.752 1.00 0.00 C ATOM 1445 CE1 HIS A 98 12.950 7.364 11.871 1.00 0.00 C ATOM 1446 NE2 HIS A 98 12.923 8.109 10.779 1.00 0.00 N ATOM 0 H HIS A 98 10.194 3.763 7.831 1.00 0.00 H new ATOM 0 HA HIS A 98 12.395 5.525 7.741 1.00 0.00 H new ATOM 0 HB2 HIS A 98 10.396 5.122 9.469 1.00 0.00 H new ATOM 0 HB3 HIS A 98 11.574 4.091 10.257 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.233 7.710 8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.319 7.673 12.838 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.249 9.073 10.711 1.00 0.00 H new ATOM 1455 N ARG A 99 13.073 2.391 8.464 1.00 0.00 N ATOM 1456 CA ARG A 99 14.161 1.430 8.639 1.00 0.00 C ATOM 1457 C ARG A 99 14.993 1.297 7.363 1.00 0.00 C ATOM 1458 O ARG A 99 16.222 1.246 7.419 1.00 0.00 O ATOM 1459 CB ARG A 99 13.604 0.060 9.050 1.00 0.00 C ATOM 1460 CG ARG A 99 13.371 -0.081 10.548 1.00 0.00 C ATOM 1461 CD ARG A 99 13.795 -1.454 11.053 1.00 0.00 C ATOM 1462 NE ARG A 99 13.732 -1.548 12.512 1.00 0.00 N ATOM 1463 CZ ARG A 99 12.605 -1.752 13.204 1.00 0.00 C ATOM 1464 NH1 ARG A 99 11.438 -1.875 12.575 1.00 0.00 N ATOM 1465 NH2 ARG A 99 12.647 -1.830 14.529 1.00 0.00 N ATOM 0 H ARG A 99 12.147 1.970 8.383 1.00 0.00 H new ATOM 0 HA ARG A 99 14.811 1.802 9.431 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.663 -0.112 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.296 -0.716 8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.929 0.691 11.078 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.316 0.079 10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.152 -2.216 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.811 -1.664 10.720 1.00 0.00 H new ATOM 0 HE ARG A 99 14.603 -1.452 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.398 -1.814 11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.584 -2.030 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.537 -1.734 15.018 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.789 -1.985 15.058 1.00 0.00 H new ATOM 1479 N PHE A 100 14.316 1.240 6.217 1.00 0.00 N ATOM 1480 CA PHE A 100 14.991 1.116 4.922 1.00 0.00 C ATOM 1481 C PHE A 100 15.788 2.377 4.596 1.00 0.00 C ATOM 1482 O PHE A 100 16.933 2.297 4.150 1.00 0.00 O ATOM 1483 CB PHE A 100 13.974 0.844 3.807 1.00 0.00 C ATOM 1484 CG PHE A 100 13.947 -0.587 3.347 1.00 0.00 C ATOM 1485 CD1 PHE A 100 13.302 -1.557 4.098 1.00 0.00 C ATOM 1486 CD2 PHE A 100 14.564 -0.960 2.164 1.00 0.00 C ATOM 1487 CE1 PHE A 100 13.274 -2.873 3.676 1.00 0.00 C ATOM 1488 CE2 PHE A 100 14.539 -2.275 1.738 1.00 0.00 C ATOM 1489 CZ PHE A 100 13.894 -3.232 2.494 1.00 0.00 C ATOM 0 H PHE A 100 13.298 1.278 6.157 1.00 0.00 H new ATOM 0 HA PHE A 100 15.681 0.275 4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 100 12.980 1.122 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 100 14.202 1.485 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 100 12.816 -1.282 5.022 1.00 0.00 H new ATOM 0 HD2 PHE A 100 15.070 -0.215 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.768 -3.620 4.269 1.00 0.00 H new ATOM 0 HE2 PHE A 100 15.024 -2.553 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 100 13.874 -4.260 2.163 1.00 0.00 H new ATOM 1499 N GLU A 101 15.172 3.540 4.818 1.00 0.00 N ATOM 1500 CA GLU A 101 15.824 4.822 4.546 1.00 0.00 C ATOM 1501 C GLU A 101 17.077 4.990 5.400 1.00 0.00 C ATOM 1502 O GLU A 101 18.139 5.351 4.894 1.00 0.00 O ATOM 1503 CB GLU A 101 14.857 5.980 4.808 1.00 0.00 C ATOM 1504 CG GLU A 101 15.145 7.216 3.968 1.00 0.00 C ATOM 1505 CD GLU A 101 16.067 8.199 4.668 1.00 0.00 C ATOM 1506 OE1 GLU A 101 15.770 8.575 5.823 1.00 0.00 O ATOM 1507 OE2 GLU A 101 17.085 8.592 4.062 1.00 0.00 O ATOM 0 H GLU A 101 14.224 3.620 5.185 1.00 0.00 H new ATOM 0 HA GLU A 101 16.117 4.833 3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.839 5.645 4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 101 14.903 6.249 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 101 15.595 6.911 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.206 7.714 3.727 1.00 0.00 H new ATOM 1514 N ALA A 102 16.940 4.721 6.698 1.00 0.00 N ATOM 1515 CA ALA A 102 18.056 4.834 7.634 1.00 0.00 C ATOM 1516 C ALA A 102 19.191 3.879 7.262 1.00 0.00 C ATOM 1517 O ALA A 102 20.366 4.224 7.384 1.00 0.00 O ATOM 1518 CB ALA A 102 17.584 4.569 9.059 1.00 0.00 C ATOM 0 H ALA A 102 16.063 4.422 7.126 1.00 0.00 H new ATOM 0 HA ALA A 102 18.441 5.852 7.575 1.00 0.00 H new ATOM 0 HB1 ALA A 102 18.427 4.657 9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.819 5.296 9.330 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.168 3.564 9.123 1.00 0.00 H new ATOM 1524 N LYS A 103 18.829 2.678 6.804 1.00 0.00 N ATOM 1525 CA LYS A 103 19.815 1.676 6.408 1.00 0.00 C ATOM 1526 C LYS A 103 20.482 2.041 5.080 1.00 0.00 C ATOM 1527 O LYS A 103 21.597 1.602 4.799 1.00 0.00 O ATOM 1528 CB LYS A 103 19.153 0.303 6.290 1.00 0.00 C ATOM 1529 CG LYS A 103 18.953 -0.393 7.626 1.00 0.00 C ATOM 1530 CD LYS A 103 19.019 -1.905 7.482 1.00 0.00 C ATOM 1531 CE LYS A 103 17.633 -2.530 7.503 1.00 0.00 C ATOM 1532 NZ LYS A 103 17.667 -3.959 7.922 1.00 0.00 N ATOM 0 H LYS A 103 17.860 2.378 6.699 1.00 0.00 H new ATOM 0 HA LYS A 103 20.585 1.646 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 103 18.186 0.416 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 103 19.763 -0.331 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 103 19.717 -0.060 8.329 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.988 -0.108 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 103 19.520 -2.161 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 103 19.619 -2.322 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 103 16.993 -1.969 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 103 17.187 -2.454 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 16.701 -4.344 7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 18.256 -4.501 7.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 18.068 -4.031 8.879 1.00 0.00 H new ATOM 1546 N GLY A 104 19.788 2.833 4.260 1.00 0.00 N ATOM 1547 CA GLY A 104 20.325 3.228 2.968 1.00 0.00 C ATOM 1548 C GLY A 104 20.093 2.177 1.895 1.00 0.00 C ATOM 1549 O GLY A 104 20.812 2.138 0.895 1.00 0.00 O ATOM 0 H GLY A 104 18.863 3.207 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 104 19.865 4.166 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.395 3.414 3.064 1.00 0.00 H new ATOM 1553 N THR A 105 19.090 1.323 2.103 1.00 0.00 N ATOM 1554 CA THR A 105 18.765 0.262 1.150 1.00 0.00 C ATOM 1555 C THR A 105 17.500 0.588 0.345 1.00 0.00 C ATOM 1556 O THR A 105 17.265 -0.003 -0.710 1.00 0.00 O ATOM 1557 CB THR A 105 18.596 -1.073 1.886 1.00 0.00 C ATOM 1558 OG1 THR A 105 17.515 -1.012 2.802 1.00 0.00 O ATOM 1559 CG2 THR A 105 19.827 -1.486 2.662 1.00 0.00 C ATOM 0 H THR A 105 18.487 1.346 2.926 1.00 0.00 H new ATOM 0 HA THR A 105 19.593 0.184 0.445 1.00 0.00 H new ATOM 0 HB THR A 105 18.410 -1.810 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 105 16.669 -1.103 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 105 19.641 -2.438 3.159 1.00 0.00 H new ATOM 0 HG22 THR A 105 20.669 -1.592 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.059 -0.726 3.408 1.00 0.00 H new ATOM 1567 N LEU A 106 16.690 1.531 0.842 1.00 0.00 N ATOM 1568 CA LEU A 106 15.460 1.926 0.156 1.00 0.00 C ATOM 1569 C LEU A 106 15.746 2.338 -1.287 1.00 0.00 C ATOM 1570 O LEU A 106 15.065 1.895 -2.213 1.00 0.00 O ATOM 1571 CB LEU A 106 14.779 3.075 0.903 1.00 0.00 C ATOM 1572 CG LEU A 106 13.248 3.026 0.922 1.00 0.00 C ATOM 1573 CD1 LEU A 106 12.697 3.880 2.055 1.00 0.00 C ATOM 1574 CD2 LEU A 106 12.681 3.479 -0.419 1.00 0.00 C ATOM 0 H LEU A 106 16.866 2.031 1.713 1.00 0.00 H new ATOM 0 HA LEU A 106 14.791 1.065 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.139 3.082 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 106 15.091 4.016 0.450 1.00 0.00 H new ATOM 0 HG LEU A 106 12.940 1.994 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.608 3.831 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.073 3.507 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.015 4.914 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.592 3.437 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.999 4.502 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.046 2.822 -1.209 1.00 0.00 H new ATOM 1586 N GLU A 107 16.761 3.184 -1.474 1.00 0.00 N ATOM 1587 CA GLU A 107 17.140 3.651 -2.806 1.00 0.00 C ATOM 1588 C GLU A 107 17.460 2.474 -3.726 1.00 0.00 C ATOM 1589 O GLU A 107 17.011 2.432 -4.871 1.00 0.00 O ATOM 1590 CB GLU A 107 18.346 4.591 -2.726 1.00 0.00 C ATOM 1591 CG GLU A 107 18.033 6.020 -3.145 1.00 0.00 C ATOM 1592 CD GLU A 107 19.154 6.656 -3.943 1.00 0.00 C ATOM 1593 OE1 GLU A 107 19.325 6.290 -5.125 1.00 0.00 O ATOM 1594 OE2 GLU A 107 19.862 7.522 -3.386 1.00 0.00 O ATOM 0 H GLU A 107 17.335 3.559 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 107 16.293 4.197 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.725 4.596 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 107 19.142 4.201 -3.360 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.120 6.028 -3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.840 6.621 -2.256 1.00 0.00 H new ATOM 1601 N GLU A 108 18.230 1.514 -3.210 1.00 0.00 N ATOM 1602 CA GLU A 108 18.602 0.328 -3.978 1.00 0.00 C ATOM 1603 C GLU A 108 17.367 -0.495 -4.343 1.00 0.00 C ATOM 1604 O GLU A 108 17.282 -1.047 -5.442 1.00 0.00 O ATOM 1605 CB GLU A 108 19.591 -0.534 -3.185 1.00 0.00 C ATOM 1606 CG GLU A 108 20.405 -1.486 -4.047 1.00 0.00 C ATOM 1607 CD GLU A 108 21.749 -0.907 -4.444 1.00 0.00 C ATOM 1608 OE1 GLU A 108 22.707 -1.033 -3.653 1.00 0.00 O ATOM 1609 OE2 GLU A 108 21.842 -0.325 -5.545 1.00 0.00 O ATOM 0 H GLU A 108 18.607 1.536 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 108 19.081 0.659 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.272 0.120 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.041 -1.112 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.561 -2.418 -3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.839 -1.731 -4.946 1.00 0.00 H new ATOM 1616 N GLU A 109 16.410 -0.571 -3.415 1.00 0.00 N ATOM 1617 CA GLU A 109 15.178 -1.325 -3.642 1.00 0.00 C ATOM 1618 C GLU A 109 14.384 -0.746 -4.809 1.00 0.00 C ATOM 1619 O GLU A 109 13.950 -1.482 -5.697 1.00 0.00 O ATOM 1620 CB GLU A 109 14.304 -1.330 -2.383 1.00 0.00 C ATOM 1621 CG GLU A 109 13.699 -2.688 -2.074 1.00 0.00 C ATOM 1622 CD GLU A 109 12.741 -3.153 -3.156 1.00 0.00 C ATOM 1623 OE1 GLU A 109 11.565 -2.736 -3.127 1.00 0.00 O ATOM 1624 OE2 GLU A 109 13.171 -3.929 -4.033 1.00 0.00 O ATOM 0 H GLU A 109 16.466 -0.120 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 109 15.463 -2.349 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 109 14.903 -1.006 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.502 -0.602 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 109 14.497 -3.421 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.172 -2.640 -1.121 1.00 0.00 H new ATOM 1631 N LEU A 110 14.193 0.574 -4.802 1.00 0.00 N ATOM 1632 CA LEU A 110 13.449 1.252 -5.856 1.00 0.00 C ATOM 1633 C LEU A 110 14.076 0.996 -7.227 1.00 0.00 C ATOM 1634 O LEU A 110 13.365 0.777 -8.209 1.00 0.00 O ATOM 1635 CB LEU A 110 13.388 2.753 -5.574 1.00 0.00 C ATOM 1636 CG LEU A 110 12.718 3.149 -4.252 1.00 0.00 C ATOM 1637 CD1 LEU A 110 12.655 4.663 -4.126 1.00 0.00 C ATOM 1638 CD2 LEU A 110 11.322 2.544 -4.150 1.00 0.00 C ATOM 0 H LEU A 110 14.546 1.194 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 110 12.436 0.850 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.404 3.148 -5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.854 3.237 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 110 13.318 2.756 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 110 12.177 4.930 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.665 5.072 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.078 5.073 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.866 2.838 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 110 10.708 2.903 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 110 11.392 1.457 -4.196 1.00 0.00 H new ATOM 1650 N THR A 111 15.407 1.013 -7.285 1.00 0.00 N ATOM 1651 CA THR A 111 16.122 0.768 -8.538 1.00 0.00 C ATOM 1652 C THR A 111 15.967 -0.691 -8.974 1.00 0.00 C ATOM 1653 O THR A 111 15.911 -0.985 -10.169 1.00 0.00 O ATOM 1654 CB THR A 111 17.607 1.119 -8.395 1.00 0.00 C ATOM 1655 OG1 THR A 111 17.789 2.182 -7.478 1.00 0.00 O ATOM 1656 CG2 THR A 111 18.252 1.531 -9.702 1.00 0.00 C ATOM 0 H THR A 111 16.011 1.193 -6.483 1.00 0.00 H new ATOM 0 HA THR A 111 15.685 1.409 -9.304 1.00 0.00 H new ATOM 0 HB THR A 111 18.084 0.205 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 111 18.744 2.388 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 111 19.303 1.766 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 111 18.175 0.714 -10.419 1.00 0.00 H new ATOM 0 HG23 THR A 111 17.743 2.410 -10.098 1.00 0.00 H new ATOM 1664 N LYS A 112 15.892 -1.601 -7.996 1.00 0.00 N ATOM 1665 CA LYS A 112 15.739 -3.027 -8.274 1.00 0.00 C ATOM 1666 C LYS A 112 14.377 -3.325 -8.902 1.00 0.00 C ATOM 1667 O LYS A 112 14.296 -4.004 -9.926 1.00 0.00 O ATOM 1668 CB LYS A 112 15.912 -3.844 -6.988 1.00 0.00 C ATOM 1669 CG LYS A 112 15.978 -5.347 -7.217 1.00 0.00 C ATOM 1670 CD LYS A 112 17.416 -5.847 -7.253 1.00 0.00 C ATOM 1671 CE LYS A 112 17.559 -7.193 -6.557 1.00 0.00 C ATOM 1672 NZ LYS A 112 18.646 -7.185 -5.537 1.00 0.00 N ATOM 0 H LYS A 112 15.935 -1.371 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 112 16.514 -3.313 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 112 16.824 -3.523 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.083 -3.625 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.434 -5.860 -6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.483 -5.594 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.745 -5.935 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 112 18.068 -5.117 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.615 -7.455 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.765 -7.964 -7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 18.708 -8.121 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.552 -6.961 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 18.438 -6.467 -4.814 1.00 0.00 H new ATOM 1686 N ILE A 113 13.311 -2.812 -8.285 1.00 0.00 N ATOM 1687 CA ILE A 113 11.952 -3.025 -8.789 1.00 0.00 C ATOM 1688 C ILE A 113 11.737 -2.351 -10.147 1.00 0.00 C ATOM 1689 O ILE A 113 10.872 -2.767 -10.919 1.00 0.00 O ATOM 1690 CB ILE A 113 10.881 -2.507 -7.799 1.00 0.00 C ATOM 1691 CG1 ILE A 113 11.092 -1.020 -7.496 1.00 0.00 C ATOM 1692 CG2 ILE A 113 10.904 -3.326 -6.513 1.00 0.00 C ATOM 1693 CD1 ILE A 113 9.991 -0.408 -6.657 1.00 0.00 C ATOM 0 H ILE A 113 13.362 -2.247 -7.437 1.00 0.00 H new ATOM 0 HA ILE A 113 11.840 -4.103 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 113 9.902 -2.621 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 113 12.043 -0.895 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 113 11.167 -0.474 -8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 113 10.145 -2.949 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.698 -4.371 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 113 11.886 -3.244 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.209 0.646 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.040 -0.500 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.930 -0.928 -5.701 1.00 0.00 H new ATOM 1705 N GLY A 114 12.520 -1.310 -10.429 1.00 0.00 N ATOM 1706 CA GLY A 114 12.390 -0.599 -11.690 1.00 0.00 C ATOM 1707 C GLY A 114 11.638 0.715 -11.549 1.00 0.00 C ATOM 1708 O GLY A 114 11.067 1.213 -12.521 1.00 0.00 O ATOM 0 H GLY A 114 13.242 -0.947 -9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.383 -0.403 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.872 -1.234 -12.409 1.00 0.00 H new ATOM 1712 N LEU A 115 11.643 1.282 -10.341 1.00 0.00 N ATOM 1713 CA LEU A 115 10.962 2.549 -10.087 1.00 0.00 C ATOM 1714 C LEU A 115 11.843 3.727 -10.508 1.00 0.00 C ATOM 1715 O LEU A 115 11.362 4.681 -11.123 1.00 0.00 O ATOM 1716 CB LEU A 115 10.594 2.670 -8.605 1.00 0.00 C ATOM 1717 CG LEU A 115 9.207 3.253 -8.313 1.00 0.00 C ATOM 1718 CD1 LEU A 115 8.113 2.362 -8.884 1.00 0.00 C ATOM 1719 CD2 LEU A 115 9.017 3.436 -6.816 1.00 0.00 C ATOM 0 H LEU A 115 12.110 0.884 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 115 10.047 2.570 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.655 1.681 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.341 3.293 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 115 9.136 4.228 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 115 7.138 2.797 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.238 2.279 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.179 1.371 -8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.028 3.851 -6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.110 2.471 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.777 4.117 -6.433 1.00 0.00 H new ATOM 1731 N LEU A 116 13.132 3.648 -10.177 1.00 0.00 N ATOM 1732 CA LEU A 116 14.083 4.701 -10.522 1.00 0.00 C ATOM 1733 C LEU A 116 15.166 4.175 -11.456 1.00 0.00 C ATOM 1734 O LEU A 116 15.608 3.031 -11.318 1.00 0.00 O ATOM 1735 CB LEU A 116 14.716 5.283 -9.257 1.00 0.00 C ATOM 1736 CG LEU A 116 14.005 6.517 -8.707 1.00 0.00 C ATOM 1737 CD1 LEU A 116 12.949 6.116 -7.686 1.00 0.00 C ATOM 1738 CD2 LEU A 116 15.005 7.486 -8.094 1.00 0.00 C ATOM 0 H LEU A 116 13.541 2.863 -9.669 1.00 0.00 H new ATOM 0 HA LEU A 116 13.538 5.490 -11.040 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.731 4.513 -8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.753 5.541 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 116 13.507 7.022 -9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 116 12.453 7.009 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.213 5.466 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.424 5.585 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 116 14.477 8.358 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.536 6.994 -7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 116 15.719 7.801 -8.855 1.00 0.00 H new ATOM 1750 N PRO A 117 15.611 5.005 -12.420 1.00 0.00 N ATOM 1751 CA PRO A 117 16.651 4.616 -13.381 1.00 0.00 C ATOM 1752 C PRO A 117 17.947 4.198 -12.694 1.00 0.00 C ATOM 1753 O PRO A 117 18.703 3.414 -13.296 1.00 0.00 O ATOM 1754 CB PRO A 117 16.879 5.885 -14.206 1.00 0.00 C ATOM 1755 CG PRO A 117 15.629 6.675 -14.045 1.00 0.00 C ATOM 1756 CD PRO A 117 15.142 6.384 -12.653 1.00 0.00 C ATOM 1757 OXT PRO A 117 18.193 4.656 -11.558 1.00 0.00 O ATOM 0 HA PRO A 117 16.346 3.755 -13.975 1.00 0.00 H new ATOM 0 HB2 PRO A 117 17.746 6.439 -13.847 1.00 0.00 H new ATOM 0 HB3 PRO A 117 17.064 5.647 -15.254 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.819 7.740 -14.179 1.00 0.00 H new ATOM 0 HG3 PRO A 117 14.885 6.388 -14.788 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.559 7.081 -11.926 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.057 6.459 -12.581 1.00 0.00 H new TER 1765 PRO A 117