USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 626 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 14 ASN :FLIP amide:sc= -11.2! C(o=-36!,f=-29!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 65 HIS : no HD1:sc= -17.7! C(o=-29!,f=-36!) USER MOD Set 2.1: A 54 GLN : amide:sc= -1 K(o=-2.3,f=-3.3) USER MOD Set 2.2: A 56 THR OG1 : rot -160:sc= -1.26 USER MOD Set 3.1: A 6 THR OG1 : rot -102:sc= 2.14 USER MOD Set 3.2: A 42 SER OG : rot 144:sc= -2.35! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -37:sc= 0.452 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.96! C(o=-4!,f=-7.4!) USER MOD Single : A 16 SER OG : rot 180:sc= -1.22 USER MOD Single : A 17 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-3.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.43) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= -0.408 (180deg=-1.68!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.77! C(o=-3.8!,f=-5.1!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.613 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 108:sc= 0.197 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -10.6! C(o=-12!,f=-11!) USER MOD Single : A 67 GLN : amide:sc= -2.46 K(o=-2.5,f=-6.3!) USER MOD Single : A 71 LYS NZ :NH3+ -112:sc= 0.72 (180deg=-2.5!) USER MOD Single : A 72 THR OG1 : rot 116:sc= 0.197 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 79 THR OG1 : rot 42:sc= 0.0715 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.078 14.990 -3.696 1.00 0.00 N ATOM 2 CA GLY A 1 8.420 16.199 -2.898 1.00 0.00 C ATOM 3 C GLY A 1 7.684 16.247 -1.575 1.00 0.00 C ATOM 4 O GLY A 1 8.266 15.990 -0.521 1.00 0.00 O ATOM 0 H1 GLY A 1 8.607 15.004 -4.591 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.330 14.136 -3.158 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.058 14.984 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.494 16.217 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.181 17.092 -3.476 1.00 0.00 H new ATOM 10 N SER A 2 6.397 16.577 -1.630 1.00 0.00 N ATOM 11 CA SER A 2 5.574 16.656 -0.429 1.00 0.00 C ATOM 12 C SER A 2 5.575 15.320 0.314 1.00 0.00 C ATOM 13 O SER A 2 6.029 14.308 -0.218 1.00 0.00 O ATOM 14 CB SER A 2 4.143 17.063 -0.796 1.00 0.00 C ATOM 15 OG SER A 2 3.264 15.949 -0.774 1.00 0.00 O ATOM 0 H SER A 2 5.902 16.794 -2.495 1.00 0.00 H new ATOM 0 HA SER A 2 5.996 17.414 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.789 17.821 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.135 17.515 -1.788 1.00 0.00 H new ATOM 0 HG SER A 2 2.359 16.242 -1.011 1.00 0.00 H new ATOM 21 N PRO A 3 5.063 15.298 1.557 1.00 0.00 N ATOM 22 CA PRO A 3 5.009 14.074 2.365 1.00 0.00 C ATOM 23 C PRO A 3 3.989 13.069 1.832 1.00 0.00 C ATOM 24 O PRO A 3 3.061 12.679 2.540 1.00 0.00 O ATOM 25 CB PRO A 3 4.585 14.582 3.748 1.00 0.00 C ATOM 26 CG PRO A 3 3.846 15.845 3.478 1.00 0.00 C ATOM 27 CD PRO A 3 4.499 16.460 2.270 1.00 0.00 C ATOM 0 HA PRO A 3 5.960 13.542 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.954 13.856 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.450 14.759 4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.790 15.647 3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.898 16.518 4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.778 16.998 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.274 17.173 2.551 1.00 0.00 H new ATOM 35 N GLY A 4 4.161 12.655 0.575 1.00 0.00 N ATOM 36 CA GLY A 4 3.241 11.704 -0.022 1.00 0.00 C ATOM 37 C GLY A 4 3.954 10.454 -0.549 1.00 0.00 C ATOM 38 O GLY A 4 5.170 10.335 -0.393 1.00 0.00 O ATOM 0 H GLY A 4 4.918 12.961 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.496 11.410 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.705 12.185 -0.840 1.00 0.00 H new ATOM 42 N PHE A 5 3.211 9.504 -1.147 1.00 0.00 N ATOM 43 CA PHE A 5 3.820 8.266 -1.644 1.00 0.00 C ATOM 44 C PHE A 5 3.031 7.619 -2.803 1.00 0.00 C ATOM 45 O PHE A 5 3.625 7.071 -3.729 1.00 0.00 O ATOM 46 CB PHE A 5 3.937 7.274 -0.485 1.00 0.00 C ATOM 47 CG PHE A 5 4.693 7.814 0.694 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.066 7.997 0.631 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.030 8.140 1.865 1.00 0.00 C ATOM 50 CE1 PHE A 5 6.761 8.496 1.716 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.720 8.638 2.954 1.00 0.00 C ATOM 52 CZ PHE A 5 6.087 8.817 2.879 1.00 0.00 C ATOM 0 H PHE A 5 2.204 9.572 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 5 4.801 8.524 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.937 6.985 -0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.432 6.370 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.598 7.747 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.961 8.003 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.830 8.635 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.191 8.887 3.862 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.629 9.207 3.728 1.00 0.00 H new ATOM 62 N THR A 6 1.699 7.672 -2.725 1.00 0.00 N ATOM 63 CA THR A 6 0.793 7.084 -3.735 1.00 0.00 C ATOM 64 C THR A 6 0.552 5.589 -3.461 1.00 0.00 C ATOM 65 O THR A 6 1.443 4.773 -3.668 1.00 0.00 O ATOM 66 CB THR A 6 1.335 7.268 -5.162 1.00 0.00 C ATOM 67 OG1 THR A 6 2.250 6.238 -5.493 1.00 0.00 O ATOM 68 CG2 THR A 6 2.033 8.592 -5.387 1.00 0.00 C ATOM 0 H THR A 6 1.207 8.126 -1.955 1.00 0.00 H new ATOM 0 HA THR A 6 -0.155 7.616 -3.656 1.00 0.00 H new ATOM 0 HB THR A 6 0.452 7.235 -5.801 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.166 6.579 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.387 8.646 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.335 9.408 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.881 8.677 -4.707 1.00 0.00 H new ATOM 76 N CYS A 7 -0.665 5.230 -3.002 1.00 0.00 N ATOM 77 CA CYS A 7 -0.995 3.826 -2.730 1.00 0.00 C ATOM 78 C CYS A 7 -1.360 3.161 -4.053 1.00 0.00 C ATOM 79 O CYS A 7 -1.786 2.005 -4.085 1.00 0.00 O ATOM 80 CB CYS A 7 -2.163 3.656 -1.697 1.00 0.00 C ATOM 81 SG CYS A 7 -3.541 2.617 -2.290 1.00 0.00 S ATOM 0 H CYS A 7 -1.423 5.887 -2.816 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.124 3.353 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.763 3.221 -0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.551 4.641 -1.439 1.00 0.00 H new ATOM 86 N CYS A 8 -1.219 3.902 -5.155 1.00 0.00 N ATOM 87 CA CYS A 8 -1.581 3.363 -6.446 1.00 0.00 C ATOM 88 C CYS A 8 -3.060 3.017 -6.370 1.00 0.00 C ATOM 89 O CYS A 8 -3.531 2.002 -6.873 1.00 0.00 O ATOM 90 CB CYS A 8 -0.694 2.159 -6.763 1.00 0.00 C ATOM 91 SG CYS A 8 -1.264 1.112 -8.126 1.00 0.00 S ATOM 0 H CYS A 8 -0.863 4.858 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.424 4.072 -7.259 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.308 2.519 -6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.610 1.545 -5.866 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.562 1.040 -8.104 1.00 0.00 H new ATOM 97 N VAL A 9 -3.761 3.903 -5.669 1.00 0.00 N ATOM 98 CA VAL A 9 -5.188 3.798 -5.404 1.00 0.00 C ATOM 99 C VAL A 9 -6.017 4.133 -6.638 1.00 0.00 C ATOM 100 O VAL A 9 -6.215 5.302 -6.966 1.00 0.00 O ATOM 101 CB VAL A 9 -5.547 4.763 -4.240 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.731 6.032 -4.351 1.00 0.00 C ATOM 103 CG2 VAL A 9 -7.025 5.115 -4.179 1.00 0.00 C ATOM 0 H VAL A 9 -3.338 4.736 -5.259 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.420 2.769 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.309 4.233 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.989 6.703 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.670 5.788 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.946 6.521 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.204 5.792 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.322 5.600 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.610 4.206 -4.041 1.00 0.00 H new ATOM 113 N PRO A 10 -6.535 3.103 -7.326 1.00 0.00 N ATOM 114 CA PRO A 10 -7.371 3.291 -8.510 1.00 0.00 C ATOM 115 C PRO A 10 -8.764 3.746 -8.110 1.00 0.00 C ATOM 116 O PRO A 10 -9.359 4.621 -8.740 1.00 0.00 O ATOM 117 CB PRO A 10 -7.420 1.894 -9.126 1.00 0.00 C ATOM 118 CG PRO A 10 -7.279 0.974 -7.963 1.00 0.00 C ATOM 119 CD PRO A 10 -6.364 1.673 -6.993 1.00 0.00 C ATOM 0 HA PRO A 10 -6.987 4.049 -9.193 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.358 1.725 -9.655 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.616 1.749 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.248 0.769 -7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.862 0.015 -8.272 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.641 1.466 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.329 1.353 -7.116 1.00 0.00 H new ATOM 127 N GLY A 11 -9.263 3.144 -7.040 1.00 0.00 N ATOM 128 CA GLY A 11 -10.573 3.479 -6.528 1.00 0.00 C ATOM 129 C GLY A 11 -10.736 3.091 -5.070 1.00 0.00 C ATOM 130 O GLY A 11 -11.858 3.028 -4.567 1.00 0.00 O ATOM 0 H GLY A 11 -8.775 2.420 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.741 4.550 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.334 2.974 -7.124 1.00 0.00 H new ATOM 134 N CYS A 12 -9.620 2.829 -4.383 1.00 0.00 N ATOM 135 CA CYS A 12 -9.678 2.451 -2.977 1.00 0.00 C ATOM 136 C CYS A 12 -10.284 3.600 -2.149 1.00 0.00 C ATOM 137 O CYS A 12 -11.042 4.413 -2.677 1.00 0.00 O ATOM 138 CB CYS A 12 -8.283 2.010 -2.458 1.00 0.00 C ATOM 139 SG CYS A 12 -7.236 3.351 -1.859 1.00 0.00 S ATOM 0 H CYS A 12 -8.679 2.872 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.332 1.586 -2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.423 1.290 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.760 1.491 -3.262 1.00 0.00 H new ATOM 144 N TYR A 13 -9.979 3.648 -0.855 1.00 0.00 N ATOM 145 CA TYR A 13 -10.528 4.676 0.033 1.00 0.00 C ATOM 146 C TYR A 13 -9.655 5.923 0.114 1.00 0.00 C ATOM 147 O TYR A 13 -10.131 7.056 0.163 1.00 0.00 O ATOM 148 CB TYR A 13 -10.670 4.103 1.445 1.00 0.00 C ATOM 149 CG TYR A 13 -11.910 4.571 2.180 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.590 5.719 1.786 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.397 3.864 3.273 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.720 6.146 2.460 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.527 4.286 3.950 1.00 0.00 C ATOM 154 CZ TYR A 13 -14.183 5.427 3.540 1.00 0.00 C ATOM 155 OH TYR A 13 -15.306 5.850 4.211 1.00 0.00 O ATOM 0 H TYR A 13 -9.354 2.987 -0.395 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.492 4.967 -0.384 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.686 3.015 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.790 4.377 2.027 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.230 6.286 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.885 2.971 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.237 7.039 2.141 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.894 3.724 4.796 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.500 5.232 4.946 1.00 0.00 H new ATOM 165 N ASN A 14 -8.386 5.652 0.249 1.00 0.00 N ATOM 166 CA ASN A 14 -7.343 6.642 0.478 1.00 0.00 C ATOM 167 C ASN A 14 -6.183 6.585 -0.539 1.00 0.00 C ATOM 168 O ASN A 14 -5.933 5.538 -1.123 1.00 0.00 O ATOM 169 CB ASN A 14 -6.765 6.463 1.867 1.00 0.00 C ATOM 170 CG ASN A 14 -7.259 5.211 2.580 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.342 4.103 1.851 1.00 0.00 O flip ATOM 172 ND2 ASN A 14 -7.556 5.245 3.773 1.00 0.00 N flip ATOM 0 H ASN A 14 -8.025 4.699 0.202 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.827 7.612 0.361 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.678 6.425 1.796 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.015 7.336 2.470 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.477 6.119 4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.882 4.400 4.242 1.00 0.00 H new ATOM 179 N ASN A 15 -5.433 7.684 -0.726 1.00 0.00 N ATOM 180 CA ASN A 15 -4.286 7.639 -1.627 1.00 0.00 C ATOM 181 C ASN A 15 -3.013 7.688 -0.752 1.00 0.00 C ATOM 182 O ASN A 15 -3.123 7.978 0.439 1.00 0.00 O ATOM 183 CB ASN A 15 -4.296 8.808 -2.626 1.00 0.00 C ATOM 184 CG ASN A 15 -5.675 9.419 -2.828 1.00 0.00 C ATOM 185 OD1 ASN A 15 -5.815 10.636 -2.949 1.00 0.00 O ATOM 186 ND2 ASN A 15 -6.700 8.578 -2.865 1.00 0.00 N ATOM 0 H ASN A 15 -5.598 8.585 -0.277 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.321 6.725 -2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.612 9.581 -2.276 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.917 8.459 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.647 8.933 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.541 7.576 -2.761 1.00 0.00 H new ATOM 193 N SER A 16 -1.812 7.368 -1.284 1.00 0.00 N ATOM 194 CA SER A 16 -0.625 7.360 -0.446 1.00 0.00 C ATOM 195 C SER A 16 0.193 8.648 -0.611 1.00 0.00 C ATOM 196 O SER A 16 1.340 8.690 -0.183 1.00 0.00 O ATOM 197 CB SER A 16 0.254 6.082 -0.714 1.00 0.00 C ATOM 198 OG SER A 16 1.137 5.842 0.367 1.00 0.00 O ATOM 0 H SER A 16 -1.655 7.121 -2.261 1.00 0.00 H new ATOM 0 HA SER A 16 -0.958 7.320 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.391 5.216 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.825 6.214 -1.633 1.00 0.00 H new ATOM 0 HG SER A 16 1.673 5.043 0.181 1.00 0.00 H new ATOM 204 N HIS A 17 -0.386 9.709 -1.221 1.00 0.00 N ATOM 205 CA HIS A 17 0.349 10.968 -1.410 1.00 0.00 C ATOM 206 C HIS A 17 -0.581 12.171 -1.563 1.00 0.00 C ATOM 207 O HIS A 17 -0.165 13.201 -2.094 1.00 0.00 O ATOM 208 CB HIS A 17 1.267 10.894 -2.650 1.00 0.00 C ATOM 209 CG HIS A 17 0.607 11.318 -3.930 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.477 10.662 -4.473 1.00 0.00 N ATOM 211 CD2 HIS A 17 0.885 12.341 -4.771 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.837 11.263 -5.594 1.00 0.00 C ATOM 213 NE2 HIS A 17 -0.027 12.286 -5.796 1.00 0.00 N ATOM 0 H HIS A 17 -1.340 9.714 -1.582 1.00 0.00 H new ATOM 0 HA HIS A 17 0.947 11.104 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.141 11.523 -2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.627 9.871 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.677 13.066 -4.657 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.654 10.968 -6.235 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -0.072 12.931 -6.585 1.00 0.00 H new ATOM 222 N ARG A 18 -1.829 12.053 -1.126 1.00 0.00 N ATOM 223 CA ARG A 18 -2.758 13.167 -1.267 1.00 0.00 C ATOM 224 C ARG A 18 -3.085 13.822 0.095 1.00 0.00 C ATOM 225 O ARG A 18 -2.601 14.922 0.367 1.00 0.00 O ATOM 226 CB ARG A 18 -4.001 12.718 -2.076 1.00 0.00 C ATOM 227 CG ARG A 18 -5.271 13.519 -1.819 1.00 0.00 C ATOM 228 CD ARG A 18 -5.920 13.938 -3.129 1.00 0.00 C ATOM 229 NE ARG A 18 -5.751 15.364 -3.397 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.303 15.993 -4.432 1.00 0.00 C ATOM 231 NH1 ARG A 18 -7.057 15.326 -5.298 1.00 0.00 N ATOM 232 NH2 ARG A 18 -6.103 17.292 -4.602 1.00 0.00 N ATOM 0 H ARG A 18 -2.214 11.219 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.283 13.962 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.763 12.777 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.201 11.670 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.972 12.921 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.035 14.403 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.487 13.362 -3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.983 13.699 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.177 15.909 -2.754 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.216 14.326 -5.172 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.477 15.813 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.526 17.810 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.526 17.774 -5.395 1.00 0.00 H new ATOM 246 N ASP A 19 -3.903 13.190 0.945 1.00 0.00 N ATOM 247 CA ASP A 19 -4.255 13.789 2.241 1.00 0.00 C ATOM 248 C ASP A 19 -3.314 13.435 3.400 1.00 0.00 C ATOM 249 O ASP A 19 -3.148 14.239 4.319 1.00 0.00 O ATOM 250 CB ASP A 19 -5.682 13.408 2.617 1.00 0.00 C ATOM 251 CG ASP A 19 -6.695 14.444 2.168 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.105 14.399 0.989 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.078 15.297 2.995 1.00 0.00 O ATOM 0 H ASP A 19 -4.328 12.280 0.765 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.154 14.864 2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.928 12.445 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.749 13.283 3.698 1.00 0.00 H new ATOM 258 N LYS A 20 -2.741 12.238 3.404 1.00 0.00 N ATOM 259 CA LYS A 20 -1.886 11.806 4.495 1.00 0.00 C ATOM 260 C LYS A 20 -2.653 11.899 5.830 1.00 0.00 C ATOM 261 O LYS A 20 -2.079 11.743 6.906 1.00 0.00 O ATOM 262 CB LYS A 20 -0.582 12.633 4.492 1.00 0.00 C ATOM 263 CG LYS A 20 -0.052 13.037 5.864 1.00 0.00 C ATOM 264 CD LYS A 20 0.531 11.844 6.609 1.00 0.00 C ATOM 265 CE LYS A 20 2.047 11.803 6.508 1.00 0.00 C ATOM 266 NZ LYS A 20 2.688 11.669 7.845 1.00 0.00 N ATOM 0 H LYS A 20 -2.855 11.549 2.660 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.603 10.761 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.190 12.059 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.748 13.537 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.713 13.805 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.858 13.476 6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.238 11.891 7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.114 10.922 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.346 10.967 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.404 12.712 6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.722 11.645 7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.423 12.480 8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.368 10.789 8.297 1.00 0.00 H new ATOM 280 N ALA A 21 -3.977 12.101 5.744 1.00 0.00 N ATOM 281 CA ALA A 21 -4.827 12.159 6.934 1.00 0.00 C ATOM 282 C ALA A 21 -5.827 10.991 6.956 1.00 0.00 C ATOM 283 O ALA A 21 -6.906 11.095 7.539 1.00 0.00 O ATOM 284 CB ALA A 21 -5.562 13.491 6.992 1.00 0.00 C ATOM 0 H ALA A 21 -4.477 12.226 4.864 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.189 12.071 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.191 13.521 7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.838 14.305 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.184 13.602 6.104 1.00 0.00 H new ATOM 290 N LEU A 22 -5.455 9.887 6.306 1.00 0.00 N ATOM 291 CA LEU A 22 -6.291 8.689 6.218 1.00 0.00 C ATOM 292 C LEU A 22 -5.622 7.545 7.030 1.00 0.00 C ATOM 293 O LEU A 22 -4.717 7.826 7.816 1.00 0.00 O ATOM 294 CB LEU A 22 -6.477 8.348 4.718 1.00 0.00 C ATOM 295 CG LEU A 22 -6.383 9.547 3.765 1.00 0.00 C ATOM 296 CD1 LEU A 22 -5.627 9.164 2.499 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.781 10.068 3.437 1.00 0.00 C ATOM 0 H LEU A 22 -4.561 9.799 5.823 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.280 8.843 6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.723 7.615 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.449 7.874 4.586 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.828 10.346 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.570 10.026 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.620 8.840 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.150 8.351 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.703 10.919 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.361 9.278 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.278 10.380 4.356 1.00 0.00 H new ATOM 309 N HIS A 23 -6.044 6.272 6.880 1.00 0.00 N ATOM 310 CA HIS A 23 -5.440 5.189 7.646 1.00 0.00 C ATOM 311 C HIS A 23 -4.374 4.472 6.785 1.00 0.00 C ATOM 312 O HIS A 23 -4.649 4.164 5.624 1.00 0.00 O ATOM 313 CB HIS A 23 -6.530 4.188 8.039 1.00 0.00 C ATOM 314 CG HIS A 23 -6.536 3.847 9.496 1.00 0.00 C ATOM 315 ND1 HIS A 23 -6.186 4.747 10.478 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.853 2.698 10.137 1.00 0.00 C ATOM 317 CE1 HIS A 23 -6.285 4.166 11.662 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.690 2.923 11.481 1.00 0.00 N ATOM 0 H HIS A 23 -6.788 5.983 6.245 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.967 5.594 8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.503 4.598 7.767 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.396 3.273 7.461 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.174 1.776 9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.071 4.629 12.614 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.855 2.240 12.220 1.00 0.00 H new ATOM 327 N PHE A 24 -3.152 4.227 7.312 1.00 0.00 N ATOM 328 CA PHE A 24 -2.117 3.584 6.509 1.00 0.00 C ATOM 329 C PHE A 24 -1.470 2.356 7.229 1.00 0.00 C ATOM 330 O PHE A 24 -1.037 2.487 8.374 1.00 0.00 O ATOM 331 CB PHE A 24 -1.042 4.625 6.159 1.00 0.00 C ATOM 332 CG PHE A 24 -1.577 5.814 5.385 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.518 6.659 5.957 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.160 6.082 4.081 1.00 0.00 C ATOM 335 CE1 PHE A 24 -3.024 7.737 5.251 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.669 7.154 3.378 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.600 7.981 3.959 1.00 0.00 C ATOM 0 H PHE A 24 -2.875 4.462 8.265 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.585 3.199 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.579 4.980 7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.259 4.143 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.859 6.473 6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.427 5.440 3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.752 8.389 5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.335 7.344 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.999 8.819 3.407 1.00 0.00 H new ATOM 347 N TYR A 25 -1.370 1.172 6.561 1.00 0.00 N ATOM 348 CA TYR A 25 -0.741 -0.014 7.164 1.00 0.00 C ATOM 349 C TYR A 25 0.785 0.053 6.945 1.00 0.00 C ATOM 350 O TYR A 25 1.231 0.729 6.023 1.00 0.00 O ATOM 351 CB TYR A 25 -1.275 -1.324 6.545 1.00 0.00 C ATOM 352 CG TYR A 25 -2.726 -1.632 6.853 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.731 -0.706 6.605 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.085 -2.867 7.383 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.054 -1.002 6.878 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.403 -3.171 7.659 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.385 -2.235 7.406 1.00 0.00 C ATOM 358 OH TYR A 25 -6.701 -2.531 7.678 1.00 0.00 O ATOM 0 H TYR A 25 -1.717 1.025 5.613 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.982 -0.015 8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.151 -1.274 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.660 -2.152 6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.476 0.259 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.319 -3.601 7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.825 -0.272 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.664 -4.135 8.070 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.763 -3.438 8.044 1.00 0.00 H new ATOM 368 N THR A 26 1.598 -0.619 7.780 1.00 0.00 N ATOM 369 CA THR A 26 3.054 -0.561 7.618 1.00 0.00 C ATOM 370 C THR A 26 3.596 -1.860 7.000 1.00 0.00 C ATOM 371 O THR A 26 2.830 -2.781 6.716 1.00 0.00 O ATOM 372 CB THR A 26 3.750 -0.252 8.954 1.00 0.00 C ATOM 373 OG1 THR A 26 4.412 -1.398 9.460 1.00 0.00 O ATOM 374 CG2 THR A 26 2.807 0.240 10.034 1.00 0.00 C ATOM 0 H THR A 26 1.276 -1.196 8.557 1.00 0.00 H new ATOM 0 HA THR A 26 3.278 0.254 6.930 1.00 0.00 H new ATOM 0 HB THR A 26 4.456 0.545 8.720 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.848 -1.176 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.370 0.437 10.946 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.321 1.158 9.702 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.051 -0.520 10.231 1.00 0.00 H new ATOM 382 N PHE A 27 4.898 -1.878 6.684 1.00 0.00 N ATOM 383 CA PHE A 27 5.498 -3.003 5.971 1.00 0.00 C ATOM 384 C PHE A 27 6.108 -4.157 6.804 1.00 0.00 C ATOM 385 O PHE A 27 6.844 -3.907 7.760 1.00 0.00 O ATOM 386 CB PHE A 27 6.607 -2.456 5.096 1.00 0.00 C ATOM 387 CG PHE A 27 6.229 -2.270 3.667 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.913 -2.054 3.309 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.191 -2.322 2.677 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.561 -1.901 1.992 1.00 0.00 C ATOM 391 CE2 PHE A 27 6.848 -2.165 1.361 1.00 0.00 C ATOM 392 CZ PHE A 27 5.524 -1.958 1.010 1.00 0.00 C ATOM 0 H PHE A 27 5.550 -1.127 6.912 1.00 0.00 H new ATOM 0 HA PHE A 27 4.658 -3.456 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.933 -1.498 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.461 -3.131 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.152 -2.005 4.074 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.224 -2.488 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.528 -1.736 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.610 -2.203 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.249 -1.842 -0.028 1.00 0.00 H new ATOM 402 N PRO A 28 5.843 -5.452 6.417 1.00 0.00 N ATOM 403 CA PRO A 28 6.410 -6.638 7.102 1.00 0.00 C ATOM 404 C PRO A 28 7.904 -6.460 7.429 1.00 0.00 C ATOM 405 O PRO A 28 8.514 -5.468 7.028 1.00 0.00 O ATOM 406 CB PRO A 28 6.259 -7.717 6.006 1.00 0.00 C ATOM 407 CG PRO A 28 4.966 -7.378 5.384 1.00 0.00 C ATOM 408 CD PRO A 28 4.936 -5.879 5.314 1.00 0.00 C ATOM 0 HA PRO A 28 5.924 -6.854 8.053 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.076 -7.678 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.253 -8.722 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.881 -7.819 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.134 -7.760 5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.285 -5.517 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.927 -5.492 5.454 1.00 0.00 H new ATOM 416 N LYS A 29 8.498 -7.416 8.156 1.00 0.00 N ATOM 417 CA LYS A 29 9.915 -7.328 8.520 1.00 0.00 C ATOM 418 C LYS A 29 10.803 -7.953 7.445 1.00 0.00 C ATOM 419 O LYS A 29 11.996 -7.665 7.368 1.00 0.00 O ATOM 420 CB LYS A 29 10.183 -8.013 9.871 1.00 0.00 C ATOM 421 CG LYS A 29 8.933 -8.310 10.684 1.00 0.00 C ATOM 422 CD LYS A 29 9.272 -8.971 12.011 1.00 0.00 C ATOM 423 CE LYS A 29 8.365 -10.158 12.293 1.00 0.00 C ATOM 424 NZ LYS A 29 8.268 -11.072 11.122 1.00 0.00 N ATOM 0 H LYS A 29 8.023 -8.251 8.500 1.00 0.00 H new ATOM 0 HA LYS A 29 10.160 -6.269 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.715 -8.947 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.843 -7.378 10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.389 -7.384 10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.272 -8.960 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.311 -9.301 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.179 -8.242 12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.745 -10.709 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.370 -9.800 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.208 -12.056 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.417 -10.840 10.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.111 -10.959 10.523 1.00 0.00 H new ATOM 438 N ASP A 30 10.211 -8.806 6.622 1.00 0.00 N ATOM 439 CA ASP A 30 10.945 -9.477 5.548 1.00 0.00 C ATOM 440 C ASP A 30 11.045 -8.555 4.325 1.00 0.00 C ATOM 441 O ASP A 30 10.027 -8.208 3.725 1.00 0.00 O ATOM 442 CB ASP A 30 10.241 -10.795 5.158 1.00 0.00 C ATOM 443 CG ASP A 30 9.013 -11.100 6.001 1.00 0.00 C ATOM 444 OD1 ASP A 30 9.181 -11.510 7.168 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.885 -10.930 5.490 1.00 0.00 O ATOM 0 H ASP A 30 9.223 -9.053 6.674 1.00 0.00 H new ATOM 0 HA ASP A 30 11.949 -9.708 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.948 -10.745 4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.950 -11.618 5.252 1.00 0.00 H new ATOM 450 N ALA A 31 12.267 -8.136 3.970 1.00 0.00 N ATOM 451 CA ALA A 31 12.468 -7.239 2.841 1.00 0.00 C ATOM 452 C ALA A 31 11.628 -7.631 1.586 1.00 0.00 C ATOM 453 O ALA A 31 10.718 -6.909 1.218 1.00 0.00 O ATOM 454 CB ALA A 31 13.968 -7.106 2.548 1.00 0.00 C ATOM 0 H ALA A 31 13.125 -8.407 4.451 1.00 0.00 H new ATOM 0 HA ALA A 31 12.088 -6.256 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.115 -6.434 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.476 -6.703 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.380 -8.086 2.309 1.00 0.00 H new ATOM 460 N GLU A 32 11.901 -8.761 0.925 1.00 0.00 N ATOM 461 CA GLU A 32 11.128 -9.140 -0.281 1.00 0.00 C ATOM 462 C GLU A 32 9.641 -9.057 -0.091 1.00 0.00 C ATOM 463 O GLU A 32 9.017 -8.245 -0.775 1.00 0.00 O ATOM 464 CB GLU A 32 11.558 -10.524 -0.795 1.00 0.00 C ATOM 465 CG GLU A 32 10.636 -11.131 -1.846 1.00 0.00 C ATOM 466 CD GLU A 32 9.407 -11.778 -1.240 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.487 -12.234 -0.080 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.366 -11.831 -1.927 1.00 0.00 O ATOM 0 H GLU A 32 12.632 -9.421 1.190 1.00 0.00 H new ATOM 0 HA GLU A 32 11.366 -8.399 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.561 -10.445 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.620 -11.207 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.326 -10.354 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.187 -11.875 -2.421 1.00 0.00 H new ATOM 475 N LEU A 33 9.028 -9.839 0.800 1.00 0.00 N ATOM 476 CA LEU A 33 7.598 -9.708 0.953 1.00 0.00 C ATOM 477 C LEU A 33 7.217 -8.233 0.807 1.00 0.00 C ATOM 478 O LEU A 33 6.236 -7.868 0.160 1.00 0.00 O ATOM 479 CB LEU A 33 7.156 -10.230 2.331 1.00 0.00 C ATOM 480 CG LEU A 33 5.680 -10.603 2.464 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.923 -10.397 1.164 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.538 -12.039 2.908 1.00 0.00 C ATOM 0 H LEU A 33 9.481 -10.533 1.395 1.00 0.00 H new ATOM 0 HA LEU A 33 7.096 -10.298 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.755 -11.107 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.387 -9.469 3.077 1.00 0.00 H new ATOM 0 HG LEU A 33 5.248 -9.942 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.878 -10.674 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.984 -9.349 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.363 -11.019 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.481 -12.289 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.005 -12.695 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.026 -12.171 3.874 1.00 0.00 H new ATOM 494 N ARG A 34 8.074 -7.398 1.364 1.00 0.00 N ATOM 495 CA ARG A 34 7.900 -5.946 1.327 1.00 0.00 C ATOM 496 C ARG A 34 7.803 -5.450 -0.087 1.00 0.00 C ATOM 497 O ARG A 34 6.784 -4.872 -0.481 1.00 0.00 O ATOM 498 CB ARG A 34 9.012 -5.208 2.131 1.00 0.00 C ATOM 499 CG ARG A 34 10.197 -4.656 1.328 1.00 0.00 C ATOM 500 CD ARG A 34 10.134 -3.149 1.180 1.00 0.00 C ATOM 501 NE ARG A 34 10.898 -2.460 2.218 1.00 0.00 N ATOM 502 CZ ARG A 34 12.228 -2.434 2.267 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.944 -3.058 1.342 1.00 0.00 N ATOM 504 NH2 ARG A 34 12.842 -1.780 3.245 1.00 0.00 N ATOM 0 H ARG A 34 8.914 -7.701 1.857 1.00 0.00 H new ATOM 0 HA ARG A 34 6.956 -5.714 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.550 -4.379 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.401 -5.896 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.129 -4.933 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.211 -5.116 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.518 -2.866 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.094 -2.825 1.221 1.00 0.00 H new ATOM 0 HE ARG A 34 10.381 -1.970 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.476 -3.561 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.963 -3.035 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.295 -1.298 3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.861 -1.759 3.284 1.00 0.00 H new ATOM 518 N ARG A 35 8.831 -5.711 -0.865 1.00 0.00 N ATOM 519 CA ARG A 35 8.820 -5.287 -2.233 1.00 0.00 C ATOM 520 C ARG A 35 7.582 -5.820 -2.901 1.00 0.00 C ATOM 521 O ARG A 35 6.970 -5.124 -3.708 1.00 0.00 O ATOM 522 CB ARG A 35 10.119 -5.669 -2.983 1.00 0.00 C ATOM 523 CG ARG A 35 10.267 -7.131 -3.401 1.00 0.00 C ATOM 524 CD ARG A 35 9.305 -7.513 -4.518 1.00 0.00 C ATOM 525 NE ARG A 35 10.001 -8.110 -5.657 1.00 0.00 N ATOM 526 CZ ARG A 35 9.515 -8.133 -6.897 1.00 0.00 C ATOM 527 NH1 ARG A 35 8.327 -7.605 -7.165 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.219 -8.692 -7.872 1.00 0.00 N ATOM 0 H ARG A 35 9.671 -6.209 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 35 8.791 -4.198 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.189 -5.051 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.967 -5.409 -2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.291 -7.311 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.091 -7.773 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.565 -8.216 -4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.762 -6.627 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 35 10.914 -8.534 -5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.779 -7.177 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.962 -7.627 -8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.131 -9.103 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.849 -8.711 -8.822 1.00 0.00 H new ATOM 542 N LEU A 36 7.134 -7.014 -2.507 1.00 0.00 N ATOM 543 CA LEU A 36 5.901 -7.518 -3.123 1.00 0.00 C ATOM 544 C LEU A 36 4.780 -6.545 -2.887 1.00 0.00 C ATOM 545 O LEU A 36 4.085 -6.145 -3.828 1.00 0.00 O ATOM 546 CB LEU A 36 5.534 -8.924 -2.632 1.00 0.00 C ATOM 547 CG LEU A 36 6.360 -10.059 -3.242 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.818 -11.409 -2.802 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.370 -9.958 -4.760 1.00 0.00 C ATOM 0 H LEU A 36 7.571 -7.618 -1.811 1.00 0.00 H new ATOM 0 HA LEU A 36 6.074 -7.607 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.647 -8.955 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.481 -9.105 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 36 7.386 -9.966 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.418 -12.204 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.864 -11.483 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.783 -11.510 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.962 -10.774 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.349 -10.023 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.806 -9.005 -5.058 1.00 0.00 H new ATOM 561 N TRP A 37 4.631 -6.098 -1.656 1.00 0.00 N ATOM 562 CA TRP A 37 3.601 -5.143 -1.375 1.00 0.00 C ATOM 563 C TRP A 37 3.829 -3.888 -2.174 1.00 0.00 C ATOM 564 O TRP A 37 2.864 -3.324 -2.705 1.00 0.00 O ATOM 565 CB TRP A 37 3.558 -4.825 0.095 1.00 0.00 C ATOM 566 CG TRP A 37 2.811 -5.856 0.851 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.733 -7.177 0.550 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.020 -5.648 2.006 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.980 -7.828 1.510 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.519 -6.893 2.410 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.706 -4.522 2.747 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.711 -7.027 3.541 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.915 -4.648 3.847 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.428 -5.881 4.242 1.00 0.00 C ATOM 0 H TRP A 37 5.200 -6.378 -0.857 1.00 0.00 H new ATOM 0 HA TRP A 37 2.641 -5.574 -1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.574 -4.753 0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.090 -3.852 0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.189 -7.648 -0.308 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.797 -8.831 1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.085 -3.554 2.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.326 -7.988 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.663 -3.769 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.191 -5.944 5.125 1.00 0.00 H new ATOM 585 N LEU A 38 5.111 -3.472 -2.327 1.00 0.00 N ATOM 586 CA LEU A 38 5.393 -2.303 -3.121 1.00 0.00 C ATOM 587 C LEU A 38 4.433 -2.356 -4.305 1.00 0.00 C ATOM 588 O LEU A 38 3.655 -1.422 -4.546 1.00 0.00 O ATOM 589 CB LEU A 38 6.868 -2.280 -3.585 1.00 0.00 C ATOM 590 CG LEU A 38 7.886 -1.992 -2.486 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.237 -1.653 -3.088 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.409 -0.865 -1.583 1.00 0.00 C ATOM 0 H LEU A 38 5.926 -3.927 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 38 5.252 -1.389 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.106 -3.243 -4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.976 -1.527 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 38 7.991 -2.891 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.951 -1.450 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.590 -2.493 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.142 -0.771 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.153 -0.680 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.268 0.040 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.464 -1.146 -1.119 1.00 0.00 H new ATOM 604 N LYS A 39 4.418 -3.518 -4.993 1.00 0.00 N ATOM 605 CA LYS A 39 3.560 -3.715 -6.114 1.00 0.00 C ATOM 606 C LYS A 39 2.097 -3.294 -5.858 1.00 0.00 C ATOM 607 O LYS A 39 1.585 -2.401 -6.545 1.00 0.00 O ATOM 608 CB LYS A 39 3.728 -5.186 -6.606 1.00 0.00 C ATOM 609 CG LYS A 39 5.168 -5.532 -6.956 1.00 0.00 C ATOM 610 CD LYS A 39 5.337 -5.831 -8.438 1.00 0.00 C ATOM 611 CE LYS A 39 4.886 -4.666 -9.307 1.00 0.00 C ATOM 612 NZ LYS A 39 5.890 -3.567 -9.325 1.00 0.00 N ATOM 0 H LYS A 39 5.005 -4.321 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 39 3.861 -3.043 -6.918 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.374 -5.866 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.098 -5.345 -7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.818 -4.703 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.485 -6.397 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.383 -6.055 -8.646 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.763 -6.721 -8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.714 -5.017 -10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.935 -4.283 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.546 -2.792 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.036 -3.214 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.790 -3.925 -9.702 1.00 0.00 H new ATOM 626 N ASN A 40 1.431 -3.882 -4.866 1.00 0.00 N ATOM 627 CA ASN A 40 0.029 -3.555 -4.600 1.00 0.00 C ATOM 628 C ASN A 40 -0.186 -2.101 -4.242 1.00 0.00 C ATOM 629 O ASN A 40 -1.203 -1.507 -4.600 1.00 0.00 O ATOM 630 CB ASN A 40 -0.560 -4.436 -3.481 1.00 0.00 C ATOM 631 CG ASN A 40 0.327 -5.591 -3.055 1.00 0.00 C ATOM 632 OD1 ASN A 40 0.642 -5.742 -1.877 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.718 -6.424 -4.014 1.00 0.00 N ATOM 0 H ASN A 40 1.832 -4.579 -4.239 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.491 -3.754 -5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.762 -3.810 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.518 -4.835 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.303 -7.227 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.433 -6.260 -4.979 1.00 0.00 H new ATOM 640 N VAL A 41 0.743 -1.550 -3.504 1.00 0.00 N ATOM 641 CA VAL A 41 0.624 -0.180 -3.055 1.00 0.00 C ATOM 642 C VAL A 41 0.998 0.862 -4.080 1.00 0.00 C ATOM 643 O VAL A 41 0.593 2.002 -3.924 1.00 0.00 O ATOM 644 CB VAL A 41 1.321 0.113 -1.709 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.665 0.814 -1.884 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.392 0.968 -0.855 1.00 0.00 C ATOM 0 H VAL A 41 1.592 -2.026 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.450 -0.088 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 41 1.528 -0.839 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.111 0.996 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.330 0.184 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.516 1.764 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.871 1.183 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.179 1.903 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.540 0.430 -0.680 1.00 0.00 H new ATOM 656 N SER A 42 1.797 0.533 -5.099 1.00 0.00 N ATOM 657 CA SER A 42 2.192 1.572 -6.058 1.00 0.00 C ATOM 658 C SER A 42 3.550 1.229 -6.732 1.00 0.00 C ATOM 659 O SER A 42 3.548 0.410 -7.652 1.00 0.00 O ATOM 660 CB SER A 42 2.179 2.992 -5.382 1.00 0.00 C ATOM 661 OG SER A 42 3.208 3.812 -5.898 1.00 0.00 O ATOM 0 H SER A 42 2.170 -0.399 -5.279 1.00 0.00 H new ATOM 0 HA SER A 42 1.455 1.604 -6.861 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.213 3.468 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.301 2.886 -4.304 1.00 0.00 H new ATOM 0 HG SER A 42 2.891 4.737 -5.956 1.00 0.00 H new ATOM 667 N ARG A 43 4.714 1.810 -6.310 1.00 0.00 N ATOM 668 CA ARG A 43 5.996 1.478 -6.951 1.00 0.00 C ATOM 669 C ARG A 43 5.825 1.221 -8.452 1.00 0.00 C ATOM 670 O ARG A 43 6.457 0.326 -9.015 1.00 0.00 O ATOM 671 CB ARG A 43 6.616 0.250 -6.283 1.00 0.00 C ATOM 672 CG ARG A 43 8.037 -0.039 -6.738 1.00 0.00 C ATOM 673 CD ARG A 43 9.056 0.416 -5.707 1.00 0.00 C ATOM 674 NE ARG A 43 9.589 1.744 -6.007 1.00 0.00 N ATOM 675 CZ ARG A 43 10.641 1.965 -6.794 1.00 0.00 C ATOM 676 NH1 ARG A 43 11.273 0.950 -7.374 1.00 0.00 N ATOM 677 NH2 ARG A 43 11.060 3.204 -7.006 1.00 0.00 N ATOM 0 H ARG A 43 4.777 2.489 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 43 6.660 2.334 -6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.612 0.394 -5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.993 -0.620 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.152 -1.108 -6.918 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.226 0.466 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.593 0.427 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.875 -0.302 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 43 9.127 2.551 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.953 -0.006 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.078 1.127 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.577 3.988 -6.567 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.865 3.374 -7.608 1.00 0.00 H new ATOM 691 N ALA A 44 4.949 1.995 -9.085 1.00 0.00 N ATOM 692 CA ALA A 44 4.668 1.838 -10.514 1.00 0.00 C ATOM 693 C ALA A 44 5.822 2.346 -11.409 1.00 0.00 C ATOM 694 O ALA A 44 5.644 3.337 -12.117 1.00 0.00 O ATOM 695 CB ALA A 44 3.370 2.577 -10.856 1.00 0.00 C ATOM 0 H ALA A 44 4.419 2.740 -8.633 1.00 0.00 H new ATOM 0 HA ALA A 44 4.562 0.772 -10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.156 2.464 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.549 2.159 -10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.481 3.635 -10.619 1.00 0.00 H new ATOM 701 N GLY A 45 7.002 1.677 -11.408 1.00 0.00 N ATOM 702 CA GLY A 45 8.092 2.134 -12.262 1.00 0.00 C ATOM 703 C GLY A 45 8.656 1.022 -13.139 1.00 0.00 C ATOM 704 O GLY A 45 8.386 0.987 -14.338 1.00 0.00 O ATOM 0 H GLY A 45 7.206 0.852 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.736 2.946 -12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.889 2.541 -11.640 1.00 0.00 H new ATOM 708 N VAL A 46 9.418 0.102 -12.546 1.00 0.00 N ATOM 709 CA VAL A 46 9.994 -1.026 -13.284 1.00 0.00 C ATOM 710 C VAL A 46 10.526 -0.619 -14.655 1.00 0.00 C ATOM 711 O VAL A 46 10.267 -1.297 -15.652 1.00 0.00 O ATOM 712 CB VAL A 46 8.961 -2.155 -13.489 1.00 0.00 C ATOM 713 CG1 VAL A 46 9.629 -3.513 -13.380 1.00 0.00 C ATOM 714 CG2 VAL A 46 7.813 -2.027 -12.503 1.00 0.00 C ATOM 0 H VAL A 46 9.652 0.115 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 46 10.823 -1.380 -12.671 1.00 0.00 H new ATOM 0 HB VAL A 46 8.546 -2.062 -14.492 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.886 -4.297 -13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.404 -3.600 -14.142 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.078 -3.619 -12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.099 -2.834 -12.669 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.199 -2.087 -11.485 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.315 -1.068 -12.646 1.00 0.00 H new ATOM 724 N SER A 47 11.263 0.481 -14.720 1.00 0.00 N ATOM 725 CA SER A 47 11.799 0.934 -15.997 1.00 0.00 C ATOM 726 C SER A 47 12.691 2.187 -15.825 1.00 0.00 C ATOM 727 O SER A 47 13.887 2.115 -16.105 1.00 0.00 O ATOM 728 CB SER A 47 10.640 1.221 -16.955 1.00 0.00 C ATOM 729 OG SER A 47 10.278 2.591 -16.941 1.00 0.00 O ATOM 0 H SER A 47 11.501 1.067 -13.920 1.00 0.00 H new ATOM 0 HA SER A 47 12.428 0.147 -16.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.923 0.929 -17.966 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.779 0.614 -16.677 1.00 0.00 H new ATOM 0 HG SER A 47 9.537 2.740 -17.565 1.00 0.00 H new ATOM 735 N GLY A 48 12.134 3.345 -15.370 1.00 0.00 N ATOM 736 CA GLY A 48 12.969 4.521 -15.209 1.00 0.00 C ATOM 737 C GLY A 48 13.320 4.791 -13.759 1.00 0.00 C ATOM 738 O GLY A 48 13.804 5.875 -13.427 1.00 0.00 O ATOM 0 H GLY A 48 11.152 3.467 -15.124 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.886 4.392 -15.783 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.453 5.388 -15.622 1.00 0.00 H new ATOM 742 N CYS A 49 13.069 3.809 -12.891 1.00 0.00 N ATOM 743 CA CYS A 49 13.355 3.940 -11.462 1.00 0.00 C ATOM 744 C CYS A 49 12.265 4.741 -10.746 1.00 0.00 C ATOM 745 O CYS A 49 12.136 4.666 -9.526 1.00 0.00 O ATOM 746 CB CYS A 49 14.719 4.603 -11.238 1.00 0.00 C ATOM 747 SG CYS A 49 15.688 3.863 -9.904 1.00 0.00 S ATOM 0 H CYS A 49 12.666 2.910 -13.155 1.00 0.00 H new ATOM 0 HA CYS A 49 13.376 2.935 -11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.293 4.549 -12.163 1.00 0.00 H new ATOM 0 HB3 CYS A 49 14.566 5.660 -11.019 1.00 0.00 H new ATOM 0 HG CYS A 49 16.822 4.489 -9.793 1.00 0.00 H new ATOM 753 N PHE A 50 11.485 5.503 -11.510 1.00 0.00 N ATOM 754 CA PHE A 50 10.414 6.315 -10.946 1.00 0.00 C ATOM 755 C PHE A 50 10.982 7.371 -9.981 1.00 0.00 C ATOM 756 O PHE A 50 11.037 8.550 -10.328 1.00 0.00 O ATOM 757 CB PHE A 50 9.397 5.428 -10.221 1.00 0.00 C ATOM 758 CG PHE A 50 7.981 5.629 -10.686 1.00 0.00 C ATOM 759 CD1 PHE A 50 7.689 5.750 -12.035 1.00 0.00 C ATOM 760 CD2 PHE A 50 6.942 5.699 -9.771 1.00 0.00 C ATOM 761 CE1 PHE A 50 6.388 5.935 -12.463 1.00 0.00 C ATOM 762 CE2 PHE A 50 5.639 5.884 -10.193 1.00 0.00 C ATOM 763 CZ PHE A 50 5.362 6.001 -11.541 1.00 0.00 C ATOM 0 H PHE A 50 11.577 5.574 -12.523 1.00 0.00 H new ATOM 0 HA PHE A 50 9.910 6.831 -11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.672 4.383 -10.364 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.451 5.628 -9.151 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.487 5.699 -12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.153 5.608 -8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.174 6.028 -13.517 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.839 5.937 -9.470 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.344 6.144 -11.874 1.00 0.00 H new ATOM 773 N SER A 51 11.410 6.959 -8.765 1.00 0.00 N ATOM 774 CA SER A 51 11.960 7.908 -7.800 1.00 0.00 C ATOM 775 C SER A 51 10.910 8.927 -7.354 1.00 0.00 C ATOM 776 O SER A 51 11.212 9.843 -6.587 1.00 0.00 O ATOM 777 CB SER A 51 13.165 8.633 -8.401 1.00 0.00 C ATOM 778 OG SER A 51 14.100 8.991 -7.397 1.00 0.00 O ATOM 0 H SER A 51 11.382 5.991 -8.443 1.00 0.00 H new ATOM 0 HA SER A 51 12.276 7.343 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.647 7.992 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.830 9.528 -8.926 1.00 0.00 H new ATOM 0 HG SER A 51 14.861 9.452 -7.808 1.00 0.00 H new ATOM 784 N THR A 52 9.680 8.773 -7.839 1.00 0.00 N ATOM 785 CA THR A 52 8.599 9.685 -7.490 1.00 0.00 C ATOM 786 C THR A 52 8.242 9.590 -6.005 1.00 0.00 C ATOM 787 O THR A 52 7.752 10.554 -5.416 1.00 0.00 O ATOM 788 CB THR A 52 7.369 9.385 -8.351 1.00 0.00 C ATOM 789 OG1 THR A 52 6.861 8.093 -8.063 1.00 0.00 O ATOM 790 CG2 THR A 52 7.648 9.444 -9.841 1.00 0.00 C ATOM 0 H THR A 52 9.409 8.023 -8.476 1.00 0.00 H new ATOM 0 HA THR A 52 8.938 10.703 -7.684 1.00 0.00 H new ATOM 0 HB THR A 52 6.646 10.162 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.019 8.175 -7.569 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.734 9.221 -10.391 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.998 10.442 -10.106 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.413 8.711 -10.097 1.00 0.00 H new ATOM 798 N PHE A 53 8.478 8.424 -5.402 1.00 0.00 N ATOM 799 CA PHE A 53 8.167 8.211 -3.992 1.00 0.00 C ATOM 800 C PHE A 53 8.967 7.023 -3.433 1.00 0.00 C ATOM 801 O PHE A 53 8.392 6.081 -2.896 1.00 0.00 O ATOM 802 CB PHE A 53 6.661 7.956 -3.833 1.00 0.00 C ATOM 803 CG PHE A 53 6.111 7.030 -4.879 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.388 5.673 -4.836 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.326 7.517 -5.911 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.894 4.823 -5.801 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.829 6.669 -6.881 1.00 0.00 C ATOM 808 CZ PHE A 53 5.114 5.319 -6.825 1.00 0.00 C ATOM 0 H PHE A 53 8.884 7.614 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 53 8.445 9.103 -3.431 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.471 7.534 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.130 8.907 -3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.998 5.277 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.100 8.572 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.118 3.767 -5.756 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.219 7.061 -7.681 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.727 4.653 -7.582 1.00 0.00 H new ATOM 818 N GLN A 54 10.299 7.073 -3.572 1.00 0.00 N ATOM 819 CA GLN A 54 11.192 6.003 -3.096 1.00 0.00 C ATOM 820 C GLN A 54 10.581 5.196 -1.937 1.00 0.00 C ATOM 821 O GLN A 54 10.248 5.761 -0.895 1.00 0.00 O ATOM 822 CB GLN A 54 12.524 6.614 -2.653 1.00 0.00 C ATOM 823 CG GLN A 54 13.618 5.590 -2.392 1.00 0.00 C ATOM 824 CD GLN A 54 14.693 6.108 -1.458 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.400 6.779 -0.468 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.946 5.800 -1.769 1.00 0.00 N ATOM 0 H GLN A 54 10.788 7.851 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 54 11.346 5.311 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.866 7.309 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.361 7.196 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.174 4.691 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.074 5.302 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.143 5.241 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.712 6.122 -1.178 1.00 0.00 H new ATOM 835 N PRO A 55 10.429 3.856 -2.093 1.00 0.00 N ATOM 836 CA PRO A 55 9.861 3.003 -1.043 1.00 0.00 C ATOM 837 C PRO A 55 10.792 2.882 0.152 1.00 0.00 C ATOM 838 O PRO A 55 10.344 2.654 1.275 1.00 0.00 O ATOM 839 CB PRO A 55 9.675 1.635 -1.713 1.00 0.00 C ATOM 840 CG PRO A 55 9.911 1.861 -3.172 1.00 0.00 C ATOM 841 CD PRO A 55 10.793 3.073 -3.282 1.00 0.00 C ATOM 0 HA PRO A 55 8.930 3.416 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.377 0.904 -1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.673 1.245 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.388 0.992 -3.626 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.969 2.019 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.849 2.805 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.606 3.626 -4.202 1.00 0.00 H new ATOM 849 N THR A 56 12.091 3.047 -0.091 1.00 0.00 N ATOM 850 CA THR A 56 13.080 2.974 0.976 1.00 0.00 C ATOM 851 C THR A 56 12.605 3.810 2.176 1.00 0.00 C ATOM 852 O THR A 56 12.720 3.372 3.319 1.00 0.00 O ATOM 853 CB THR A 56 14.432 3.493 0.485 1.00 0.00 C ATOM 854 OG1 THR A 56 14.583 3.260 -0.906 1.00 0.00 O ATOM 855 CG2 THR A 56 15.609 2.850 1.187 1.00 0.00 C ATOM 0 H THR A 56 12.480 3.232 -1.016 1.00 0.00 H new ATOM 0 HA THR A 56 13.196 1.934 1.281 1.00 0.00 H new ATOM 0 HB THR A 56 14.432 4.560 0.710 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.533 3.295 -1.142 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.538 3.262 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.549 3.051 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.589 1.773 1.018 1.00 0.00 H new ATOM 863 N THR A 57 12.048 5.019 1.914 1.00 0.00 N ATOM 864 CA THR A 57 11.553 5.864 2.991 1.00 0.00 C ATOM 865 C THR A 57 10.545 5.103 3.842 1.00 0.00 C ATOM 866 O THR A 57 10.450 5.316 5.051 1.00 0.00 O ATOM 867 CB THR A 57 10.905 7.126 2.419 1.00 0.00 C ATOM 868 OG1 THR A 57 10.549 8.021 3.458 1.00 0.00 O ATOM 869 CG2 THR A 57 9.658 6.844 1.607 1.00 0.00 C ATOM 0 H THR A 57 11.939 5.411 0.979 1.00 0.00 H new ATOM 0 HA THR A 57 12.396 6.153 3.619 1.00 0.00 H new ATOM 0 HB THR A 57 11.655 7.564 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.138 8.823 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.249 7.782 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.909 6.195 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.917 6.352 2.237 1.00 0.00 H new ATOM 877 N GLY A 58 9.793 4.206 3.202 1.00 0.00 N ATOM 878 CA GLY A 58 8.807 3.426 3.926 1.00 0.00 C ATOM 879 C GLY A 58 7.407 3.485 3.300 1.00 0.00 C ATOM 880 O GLY A 58 6.567 4.242 3.793 1.00 0.00 O ATOM 0 H GLY A 58 9.850 4.009 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.135 2.387 3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.753 3.785 4.954 1.00 0.00 H new ATOM 884 N HIS A 59 7.107 2.701 2.240 1.00 0.00 N ATOM 885 CA HIS A 59 5.766 2.750 1.663 1.00 0.00 C ATOM 886 C HIS A 59 4.822 1.906 2.523 1.00 0.00 C ATOM 887 O HIS A 59 5.163 0.815 2.978 1.00 0.00 O ATOM 888 CB HIS A 59 5.746 2.279 0.194 1.00 0.00 C ATOM 889 CG HIS A 59 5.620 3.392 -0.803 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.804 3.545 -1.889 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.397 4.526 -0.751 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 5.112 4.759 -2.452 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 6.071 5.327 -1.745 1.00 0.00 N flip ATOM 0 H HIS A 59 7.754 2.054 1.789 1.00 0.00 H new ATOM 0 HA HIS A 59 5.430 3.787 1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.661 1.724 -0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.915 1.587 0.057 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.101 2.884 -2.218 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.156 4.728 -0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.646 5.180 -3.330 1.00 0.00 H new ATOM 902 N ARG A 60 3.659 2.476 2.771 1.00 0.00 N ATOM 903 CA ARG A 60 2.618 1.896 3.614 1.00 0.00 C ATOM 904 C ARG A 60 1.396 1.521 2.727 1.00 0.00 C ATOM 905 O ARG A 60 1.391 1.838 1.540 1.00 0.00 O ATOM 906 CB ARG A 60 2.275 2.938 4.685 1.00 0.00 C ATOM 907 CG ARG A 60 1.740 4.240 4.110 1.00 0.00 C ATOM 908 CD ARG A 60 2.689 5.403 4.374 1.00 0.00 C ATOM 909 NE ARG A 60 2.019 6.517 5.044 1.00 0.00 N ATOM 910 CZ ARG A 60 2.541 7.202 6.061 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.746 6.902 6.536 1.00 0.00 N ATOM 912 NH2 ARG A 60 1.856 8.198 6.608 1.00 0.00 N ATOM 0 H ARG A 60 3.399 3.383 2.382 1.00 0.00 H new ATOM 0 HA ARG A 60 2.943 0.979 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.534 2.518 5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.167 3.149 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.590 4.129 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.766 4.458 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.522 5.059 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.110 5.748 3.430 1.00 0.00 H new ATOM 0 HE ARG A 60 1.093 6.787 4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.282 6.140 6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.134 7.434 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.932 8.438 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.254 8.723 7.386 1.00 0.00 H new ATOM 926 N LEU A 61 0.398 0.811 3.279 1.00 0.00 N ATOM 927 CA LEU A 61 -0.782 0.346 2.517 1.00 0.00 C ATOM 928 C LEU A 61 -2.039 1.085 3.036 1.00 0.00 C ATOM 929 O LEU A 61 -1.979 1.635 4.131 1.00 0.00 O ATOM 930 CB LEU A 61 -0.946 -1.158 2.786 1.00 0.00 C ATOM 931 CG LEU A 61 -1.217 -2.100 1.611 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.620 -2.648 1.700 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.963 -1.448 0.271 1.00 0.00 C ATOM 0 H LEU A 61 0.383 0.542 4.263 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.656 0.540 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.039 -1.504 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.763 -1.277 3.498 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.510 -2.927 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.803 -3.317 0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.737 -3.198 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.334 -1.825 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.171 -2.162 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.613 -0.580 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.078 -1.132 0.212 1.00 0.00 H new ATOM 945 N CYS A 62 -3.160 1.194 2.263 1.00 0.00 N ATOM 946 CA CYS A 62 -4.280 1.977 2.778 1.00 0.00 C ATOM 947 C CYS A 62 -5.693 1.247 2.810 1.00 0.00 C ATOM 948 O CYS A 62 -5.772 0.055 2.516 1.00 0.00 O ATOM 949 CB CYS A 62 -4.076 3.453 2.283 1.00 0.00 C ATOM 950 SG CYS A 62 -4.861 4.151 0.825 1.00 0.00 S ATOM 0 H CYS A 62 -3.293 0.773 1.343 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.294 2.069 3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.362 4.094 3.117 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.003 3.578 2.138 1.00 0.00 H new ATOM 955 N SER A 63 -6.731 1.923 3.367 1.00 0.00 N ATOM 956 CA SER A 63 -8.066 1.391 3.702 1.00 0.00 C ATOM 957 C SER A 63 -8.710 0.259 2.915 1.00 0.00 C ATOM 958 O SER A 63 -8.658 -0.907 3.309 1.00 0.00 O ATOM 959 CB SER A 63 -9.094 2.551 3.844 1.00 0.00 C ATOM 960 OG SER A 63 -9.346 2.842 5.208 1.00 0.00 O ATOM 0 H SER A 63 -6.647 2.911 3.606 1.00 0.00 H new ATOM 0 HA SER A 63 -7.812 0.877 4.629 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.715 3.441 3.343 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.026 2.279 3.348 1.00 0.00 H new ATOM 0 HG SER A 63 -9.993 3.575 5.272 1.00 0.00 H new ATOM 966 N VAL A 64 -9.483 0.656 1.947 1.00 0.00 N ATOM 967 CA VAL A 64 -10.375 -0.296 1.233 1.00 0.00 C ATOM 968 C VAL A 64 -9.738 -1.278 0.263 1.00 0.00 C ATOM 969 O VAL A 64 -10.293 -1.550 -0.803 1.00 0.00 O ATOM 970 CB VAL A 64 -11.566 0.397 0.537 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.294 1.319 1.505 1.00 0.00 C ATOM 972 CG2 VAL A 64 -11.120 1.140 -0.703 1.00 0.00 C ATOM 0 H VAL A 64 -9.535 1.619 1.614 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.715 -0.905 2.070 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.267 -0.375 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.130 1.797 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.669 0.739 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.606 2.083 1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.981 1.617 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.389 1.900 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.668 0.439 -1.405 1.00 0.00 H new ATOM 982 N HIS A 65 -8.615 -1.850 0.637 1.00 0.00 N ATOM 983 CA HIS A 65 -7.975 -2.848 -0.213 1.00 0.00 C ATOM 984 C HIS A 65 -7.472 -4.013 0.630 1.00 0.00 C ATOM 985 O HIS A 65 -6.350 -4.478 0.460 1.00 0.00 O ATOM 986 CB HIS A 65 -6.850 -2.230 -1.049 1.00 0.00 C ATOM 987 CG HIS A 65 -6.450 -0.879 -0.601 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.366 0.097 -0.294 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.238 -0.352 -0.348 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.744 1.152 0.141 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.461 0.902 0.125 1.00 0.00 N ATOM 0 H HIS A 65 -8.126 -1.650 1.510 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.717 -3.231 -0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.981 -2.887 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.169 -2.178 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.280 -0.830 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.206 2.074 0.460 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.734 1.553 0.424 1.00 0.00 H new ATOM 999 N PHE A 66 -8.327 -4.480 1.547 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.982 -5.592 2.422 1.00 0.00 C ATOM 1001 C PHE A 66 -9.141 -6.613 2.461 1.00 0.00 C ATOM 1002 O PHE A 66 -10.244 -6.292 2.021 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.698 -5.061 3.830 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.240 -4.923 4.139 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.419 -6.038 4.177 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.688 -3.678 4.387 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.074 -5.911 4.460 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.344 -3.546 4.672 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.537 -4.664 4.708 1.00 0.00 C ATOM 0 H PHE A 66 -9.262 -4.101 1.698 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.092 -6.091 2.040 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.178 -4.089 3.946 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.153 -5.731 4.560 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.835 -7.016 3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.316 -2.800 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.442 -6.787 4.487 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.925 -2.570 4.866 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.485 -4.564 4.930 1.00 0.00 H new ATOM 1019 N GLN A 67 -8.919 -7.831 2.996 1.00 0.00 N ATOM 1020 CA GLN A 67 -9.988 -8.817 3.071 1.00 0.00 C ATOM 1021 C GLN A 67 -10.500 -8.938 4.541 1.00 0.00 C ATOM 1022 O GLN A 67 -9.786 -9.531 5.349 1.00 0.00 O ATOM 1023 CB GLN A 67 -9.445 -10.179 2.636 1.00 0.00 C ATOM 1024 CG GLN A 67 -9.519 -10.410 1.136 1.00 0.00 C ATOM 1025 CD GLN A 67 -8.847 -9.306 0.344 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -9.388 -8.825 -0.651 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -7.664 -8.896 0.785 1.00 0.00 N ATOM 0 H GLN A 67 -8.023 -8.141 3.373 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.805 -8.505 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.408 -10.268 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.005 -10.964 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.049 -11.363 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.564 -10.485 0.834 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.253 -9.324 1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.166 -8.153 0.294 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.699 -8.413 4.937 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.115 -8.562 6.326 1.00 0.00 C ATOM 1038 C GLY A 68 -11.217 -7.810 7.308 1.00 0.00 C ATOM 1039 O GLY A 68 -11.645 -6.810 7.883 1.00 0.00 O ATOM 0 H GLY A 68 -12.350 -7.911 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.139 -8.203 6.432 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.120 -9.621 6.585 1.00 0.00 H new ATOM 1043 N GLY A 69 -9.973 -8.276 7.513 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.081 -7.598 8.436 1.00 0.00 C ATOM 1045 C GLY A 69 -8.344 -8.563 9.342 1.00 0.00 C ATOM 1046 O GLY A 69 -8.736 -9.722 9.470 1.00 0.00 O ATOM 0 H GLY A 69 -9.580 -9.100 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.358 -7.010 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.655 -6.899 9.044 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.268 -8.082 9.967 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.457 -8.898 10.873 1.00 0.00 C ATOM 1052 C ARG A 70 -5.587 -9.902 10.104 1.00 0.00 C ATOM 1053 O ARG A 70 -4.763 -10.596 10.698 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.356 -9.611 11.905 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.752 -10.865 12.532 1.00 0.00 C ATOM 1056 CD ARG A 70 -5.576 -10.546 13.446 1.00 0.00 C ATOM 1057 NE ARG A 70 -5.664 -9.207 14.029 1.00 0.00 N ATOM 1058 CZ ARG A 70 -4.855 -8.197 13.709 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -3.901 -8.354 12.798 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -5.005 -7.019 14.300 1.00 0.00 N ATOM 0 H ARG A 70 -6.936 -7.123 9.861 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.780 -8.233 11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.599 -8.907 12.701 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.295 -9.881 11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.520 -11.390 13.101 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.423 -11.541 11.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.532 -11.285 14.246 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.648 -10.632 12.881 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.390 -9.035 14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.781 -9.255 12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.288 -7.574 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.738 -6.888 14.997 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.387 -6.244 14.057 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.750 -9.967 8.781 1.00 0.00 N ATOM 1075 CA LYS A 71 -4.954 -10.879 7.966 1.00 0.00 C ATOM 1076 C LYS A 71 -5.079 -12.314 8.474 1.00 0.00 C ATOM 1077 O LYS A 71 -4.258 -12.778 9.264 1.00 0.00 O ATOM 1078 CB LYS A 71 -3.490 -10.439 7.986 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.792 -10.532 6.629 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.801 -9.391 6.411 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.306 -8.072 6.981 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.770 -6.904 6.242 1.00 0.00 N ATOM 0 H LYS A 71 -6.420 -9.404 8.258 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.328 -10.849 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.436 -9.410 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.947 -11.053 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.268 -11.485 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.540 -10.518 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.849 -9.645 6.877 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.613 -9.275 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.395 -8.055 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.021 -7.998 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.117 -6.375 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.262 -7.232 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.555 -6.284 5.956 1.00 0.00 H new ATOM 1096 N THR A 72 -6.117 -13.009 8.019 1.00 0.00 N ATOM 1097 CA THR A 72 -6.357 -14.389 8.432 1.00 0.00 C ATOM 1098 C THR A 72 -5.279 -15.326 7.895 1.00 0.00 C ATOM 1099 O THR A 72 -4.414 -15.782 8.641 1.00 0.00 O ATOM 1100 CB THR A 72 -7.734 -14.853 7.959 1.00 0.00 C ATOM 1101 OG1 THR A 72 -7.860 -14.704 6.555 1.00 0.00 O ATOM 1102 CG2 THR A 72 -8.873 -14.096 8.605 1.00 0.00 C ATOM 0 H THR A 72 -6.806 -12.640 7.364 1.00 0.00 H new ATOM 0 HA THR A 72 -6.322 -14.420 9.521 1.00 0.00 H new ATOM 0 HB THR A 72 -7.802 -15.901 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.968 -15.586 6.141 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.822 -14.474 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.834 -14.232 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.785 -13.035 8.369 1.00 0.00 H new ATOM 1110 N TYR A 73 -5.339 -15.617 6.599 1.00 0.00 N ATOM 1111 CA TYR A 73 -4.366 -16.510 5.976 1.00 0.00 C ATOM 1112 C TYR A 73 -4.483 -16.486 4.453 1.00 0.00 C ATOM 1113 O TYR A 73 -3.477 -16.542 3.745 1.00 0.00 O ATOM 1114 CB TYR A 73 -4.554 -17.938 6.492 1.00 0.00 C ATOM 1115 CG TYR A 73 -3.512 -18.910 5.984 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -3.519 -19.338 4.664 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -2.521 -19.398 6.826 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -2.570 -20.227 4.196 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -1.568 -20.286 6.367 1.00 0.00 C ATOM 1120 CZ TYR A 73 -1.598 -20.697 5.051 1.00 0.00 C ATOM 1121 OH TYR A 73 -0.649 -21.582 4.589 1.00 0.00 O ATOM 0 H TYR A 73 -6.047 -15.250 5.962 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.370 -16.158 6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.528 -17.928 7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.542 -18.293 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.279 -18.970 3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.495 -19.078 7.857 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.590 -20.551 3.166 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.804 -20.656 7.035 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.036 -21.814 5.318 1.00 0.00 H new ATOM 1131 N THR A 74 -5.712 -16.404 3.955 1.00 0.00 N ATOM 1132 CA THR A 74 -5.955 -16.372 2.517 1.00 0.00 C ATOM 1133 C THR A 74 -5.621 -15.001 1.924 1.00 0.00 C ATOM 1134 O THR A 74 -5.724 -14.800 0.714 1.00 0.00 O ATOM 1135 CB THR A 74 -7.413 -16.730 2.218 1.00 0.00 C ATOM 1136 OG1 THR A 74 -8.208 -16.610 3.385 1.00 0.00 O ATOM 1137 CG2 THR A 74 -7.587 -18.136 1.686 1.00 0.00 C ATOM 0 H THR A 74 -6.556 -16.358 4.526 1.00 0.00 H new ATOM 0 HA THR A 74 -5.301 -17.110 2.052 1.00 0.00 H new ATOM 0 HB THR A 74 -7.732 -16.026 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.137 -16.841 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.643 -18.325 1.495 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.025 -18.246 0.758 1.00 0.00 H new ATOM 0 HG23 THR A 74 -7.218 -18.851 2.421 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.223 -14.064 2.778 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.874 -12.716 2.336 1.00 0.00 C ATOM 1147 C VAL A 75 -3.367 -12.492 2.491 1.00 0.00 C ATOM 1148 O VAL A 75 -2.907 -12.109 3.567 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.677 -11.676 3.185 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.719 -12.108 4.644 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.140 -10.241 3.089 1.00 0.00 C ATOM 0 H VAL A 75 -5.133 -14.213 3.783 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.132 -12.592 1.284 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.681 -11.659 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.281 -11.376 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.204 -13.081 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.703 -12.177 5.033 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.751 -9.582 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.109 -10.214 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.179 -9.907 2.052 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.586 -12.735 1.419 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.143 -12.546 1.500 1.00 0.00 C ATOM 1163 C ARG A 76 -0.736 -11.142 1.048 1.00 0.00 C ATOM 1164 O ARG A 76 0.062 -10.485 1.718 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.406 -13.614 0.683 1.00 0.00 C ATOM 1166 CG ARG A 76 1.108 -13.542 0.815 1.00 0.00 C ATOM 1167 CD ARG A 76 1.791 -13.596 -0.544 1.00 0.00 C ATOM 1168 NE ARG A 76 2.920 -14.523 -0.550 1.00 0.00 N ATOM 1169 CZ ARG A 76 3.606 -14.849 -1.643 1.00 0.00 C ATOM 1170 NH1 ARG A 76 3.296 -14.310 -2.815 1.00 0.00 N ATOM 1171 NH2 ARG A 76 4.608 -15.714 -1.561 1.00 0.00 N ATOM 0 H ARG A 76 -2.929 -13.054 0.513 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.855 -12.654 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.744 -14.600 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.677 -13.507 -0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.386 -12.620 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.460 -14.368 1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.068 -13.899 -1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.138 -12.599 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 76 3.199 -14.945 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.528 -13.642 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.825 -14.564 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.852 -16.128 -0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.135 -15.965 -2.398 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.289 -10.666 -0.072 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.962 -9.326 -0.549 1.00 0.00 C ATOM 1187 C VAL A 77 -2.238 -8.569 -0.947 1.00 0.00 C ATOM 1188 O VAL A 77 -3.028 -9.054 -1.757 1.00 0.00 O ATOM 1189 CB VAL A 77 0.029 -9.391 -1.751 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.121 -10.422 -1.497 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.696 -9.708 -3.045 1.00 0.00 C ATOM 0 H VAL A 77 -1.952 -11.179 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.477 -8.786 0.264 1.00 0.00 H new ATOM 0 HB VAL A 77 0.491 -8.408 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.800 -10.450 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.676 -10.151 -0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.669 -11.405 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.022 -9.746 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.196 -10.672 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.436 -8.933 -3.247 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.468 -7.370 -0.362 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.665 -6.544 -0.632 1.00 0.00 C ATOM 1203 C PRO A 78 -3.867 -6.089 -2.040 1.00 0.00 C ATOM 1204 O PRO A 78 -4.179 -4.906 -2.224 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.405 -5.294 0.204 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.590 -5.793 1.330 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.619 -6.721 0.673 1.00 0.00 C ATOM 0 HA PRO A 78 -4.552 -7.138 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.875 -4.532 -0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.335 -4.843 0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.081 -4.980 1.848 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.201 -6.310 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.776 -6.187 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.206 -7.445 1.376 1.00 0.00 H new ATOM 1215 N THR A 79 -3.789 -6.934 -3.061 1.00 0.00 N ATOM 1216 CA THR A 79 -4.093 -6.329 -4.321 1.00 0.00 C ATOM 1217 C THR A 79 -5.439 -6.778 -4.838 1.00 0.00 C ATOM 1218 O THR A 79 -5.616 -7.872 -5.374 1.00 0.00 O ATOM 1219 CB THR A 79 -3.007 -6.666 -5.344 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.281 -6.049 -6.590 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.863 -8.153 -5.589 1.00 0.00 C ATOM 0 H THR A 79 -3.546 -7.925 -3.044 1.00 0.00 H new ATOM 0 HA THR A 79 -4.129 -5.250 -4.172 1.00 0.00 H new ATOM 0 HB THR A 79 -2.078 -6.291 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.603 -5.136 -6.439 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.077 -8.326 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.603 -8.652 -4.655 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.805 -8.553 -5.964 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.340 -5.815 -4.767 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.685 -5.914 -5.315 1.00 0.00 C ATOM 1231 C ILE A 80 -7.956 -4.707 -6.220 1.00 0.00 C ATOM 1232 O ILE A 80 -8.359 -3.669 -5.708 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.749 -5.980 -4.196 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.519 -7.212 -3.319 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.154 -6.002 -4.784 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -7.534 -6.979 -2.194 1.00 0.00 C ATOM 0 H ILE A 80 -6.154 -4.919 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.752 -6.836 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.653 -5.087 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.472 -7.530 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.158 -8.030 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.885 -6.049 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.317 -5.098 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.266 -6.876 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -7.421 -7.895 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.568 -6.691 -2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.903 -6.183 -1.547 1.00 0.00 H new ATOM 1248 N PHE A 81 -7.810 -4.824 -7.534 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.098 -3.689 -8.423 1.00 0.00 C ATOM 1250 C PHE A 81 -8.042 -4.132 -9.880 1.00 0.00 C ATOM 1251 O PHE A 81 -9.115 -4.415 -10.455 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.139 -2.474 -8.224 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.396 -2.391 -6.904 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.991 -1.847 -5.766 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.093 -2.850 -6.806 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.306 -1.782 -4.565 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.403 -2.792 -5.605 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.013 -2.261 -4.476 1.00 0.00 C ATOM 1259 OXT PHE A 81 -6.925 -4.191 -10.437 1.00 0.00 O ATOM 0 H PHE A 81 -7.500 -5.673 -8.007 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.100 -3.353 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.402 -2.489 -9.027 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.721 -1.560 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.002 -1.471 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.607 -3.260 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.783 -1.356 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.389 -3.160 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.481 -2.223 -3.537 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -5.296 2.640 -0.809 1.00 0.00 ZN