USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 763 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 40 HIS : no HD1:sc= -3.24! C(o=-8!,f=-12!) USER MOD Set 1.2: A 75 THR OG1 : rot 41:sc= -4.76! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= -0.0641 (180deg=-0.862) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -1.08! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -89:sc= -1.95! USER MOD Single : A 21 SER OG : rot -150:sc= -0.0819 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.901 K(o=0.9,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.56 USER MOD Single : A 45 MET CE :methyl 172:sc= 0 (180deg=-0.126) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -1.38 (180deg=-2.25!) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -1.65! (180deg=-2.17!) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= -1.99 (180deg=-4.53!) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= -1.27 (180deg=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= -2.3 (180deg=-2.39) USER MOD Single : A 70 THR OG1 : rot 25:sc= 2.18 USER MOD Single : A 74 LYS NZ :NH3+ -144:sc= -0.0746 (180deg=-0.585) USER MOD Single : A 76 HIS : no HE2:sc= -0.113 K(o=-0.11,f=-2.5) USER MOD Single : A 78 THR OG1 : rot -149:sc= -3.47! USER MOD Single : A 81 LYS NZ :NH3+ 131:sc= 0.0676 (180deg=-0.328) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= -0.866 (180deg=-1.46) USER MOD Single : A 91 GLN : amide:sc= -6.72! C(o=-6.7!,f=-12!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.55 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.524 -2.850 9.342 1.00 0.00 N ATOM 2 CA MET A 1 35.882 -2.198 8.167 1.00 0.00 C ATOM 3 C MET A 1 34.808 -3.123 7.592 1.00 0.00 C ATOM 4 O MET A 1 34.334 -4.025 8.254 1.00 0.00 O ATOM 5 CB MET A 1 36.941 -1.919 7.101 1.00 0.00 C ATOM 6 CG MET A 1 37.926 -0.878 7.632 1.00 0.00 C ATOM 7 SD MET A 1 39.388 -0.830 6.566 1.00 0.00 S ATOM 8 CE MET A 1 40.286 0.455 7.469 1.00 0.00 C ATOM 0 H1 MET A 1 36.581 -2.171 10.128 1.00 0.00 H new ATOM 0 H2 MET A 1 35.958 -3.672 9.635 1.00 0.00 H new ATOM 0 H3 MET A 1 37.482 -3.163 9.085 1.00 0.00 H new ATOM 0 HA MET A 1 35.422 -1.260 8.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 37.468 -2.838 6.845 1.00 0.00 H new ATOM 0 HB3 MET A 1 36.469 -1.558 6.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 37.453 0.103 7.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 38.216 -1.124 8.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 41.239 0.648 6.976 1.00 0.00 H new ATOM 0 HE2 MET A 1 39.694 1.370 7.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 40.468 0.122 8.491 1.00 0.00 H new ATOM 18 N ALA A 2 34.425 -2.908 6.363 1.00 0.00 N ATOM 19 CA ALA A 2 33.388 -3.768 5.735 1.00 0.00 C ATOM 20 C ALA A 2 33.143 -3.265 4.318 1.00 0.00 C ATOM 21 O ALA A 2 32.200 -2.542 4.065 1.00 0.00 O ATOM 22 CB ALA A 2 32.089 -3.691 6.535 1.00 0.00 C ATOM 0 H ALA A 2 34.790 -2.167 5.764 1.00 0.00 H new ATOM 0 HA ALA A 2 33.727 -4.804 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 2 31.335 -4.324 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 2 32.269 -4.033 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 2 31.735 -2.660 6.555 1.00 0.00 H new ATOM 28 N LEU A 3 33.981 -3.668 3.400 1.00 0.00 N ATOM 29 CA LEU A 3 33.852 -3.270 1.980 1.00 0.00 C ATOM 30 C LEU A 3 33.203 -1.894 1.840 1.00 0.00 C ATOM 31 O LEU A 3 33.866 -0.875 1.847 1.00 0.00 O ATOM 32 CB LEU A 3 32.997 -4.322 1.307 1.00 0.00 C ATOM 33 CG LEU A 3 33.793 -5.638 1.175 1.00 0.00 C ATOM 34 CD1 LEU A 3 32.829 -6.825 1.146 1.00 0.00 C ATOM 35 CD2 LEU A 3 34.621 -5.622 -0.115 1.00 0.00 C ATOM 0 H LEU A 3 34.776 -4.278 3.590 1.00 0.00 H new ATOM 0 HA LEU A 3 34.837 -3.201 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 3 32.090 -4.492 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 3 32.685 -3.975 0.322 1.00 0.00 H new ATOM 0 HG LEU A 3 34.462 -5.734 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 3 33.395 -7.752 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.249 -6.845 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 3 32.154 -6.725 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.180 -6.554 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 3 33.956 -5.517 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 3 35.317 -4.783 -0.090 1.00 0.00 H new ATOM 47 N ASP A 4 31.912 -1.863 1.703 1.00 0.00 N ATOM 48 CA ASP A 4 31.211 -0.578 1.552 1.00 0.00 C ATOM 49 C ASP A 4 29.707 -0.845 1.613 1.00 0.00 C ATOM 50 O ASP A 4 29.080 -0.706 2.644 1.00 0.00 O ATOM 51 CB ASP A 4 31.615 0.024 0.201 1.00 0.00 C ATOM 52 CG ASP A 4 30.574 1.041 -0.281 1.00 0.00 C ATOM 53 OD1 ASP A 4 29.642 0.632 -0.953 1.00 0.00 O ATOM 54 OD2 ASP A 4 30.732 2.210 0.028 1.00 0.00 O ATOM 0 H ASP A 4 31.311 -2.687 1.690 1.00 0.00 H new ATOM 0 HA ASP A 4 31.472 0.124 2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 4 32.587 0.508 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 4 31.722 -0.770 -0.538 1.00 0.00 H new ATOM 59 N GLY A 5 29.126 -1.224 0.515 1.00 0.00 N ATOM 60 CA GLY A 5 27.660 -1.491 0.498 1.00 0.00 C ATOM 61 C GLY A 5 26.936 -0.148 0.524 1.00 0.00 C ATOM 62 O GLY A 5 25.913 0.047 -0.101 1.00 0.00 O ATOM 0 H GLY A 5 29.602 -1.362 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 5 27.386 -2.055 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 5 27.373 -2.096 1.358 1.00 0.00 H new ATOM 66 N ILE A 6 27.493 0.777 1.245 1.00 0.00 N ATOM 67 CA ILE A 6 26.919 2.141 1.355 1.00 0.00 C ATOM 68 C ILE A 6 26.449 2.624 -0.017 1.00 0.00 C ATOM 69 O ILE A 6 25.660 3.542 -0.129 1.00 0.00 O ATOM 70 CB ILE A 6 28.020 3.059 1.882 1.00 0.00 C ATOM 71 CG1 ILE A 6 28.454 2.555 3.263 1.00 0.00 C ATOM 72 CG2 ILE A 6 27.496 4.499 1.982 1.00 0.00 C ATOM 73 CD1 ILE A 6 29.561 3.447 3.830 1.00 0.00 C ATOM 0 H ILE A 6 28.350 0.639 1.780 1.00 0.00 H new ATOM 0 HA ILE A 6 26.061 2.143 2.027 1.00 0.00 H new ATOM 0 HB ILE A 6 28.872 3.050 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.600 2.549 3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 6 28.809 1.527 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 6 28.286 5.148 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 6 27.184 4.842 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.645 4.530 2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 6 29.859 3.077 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 6 30.420 3.431 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 6 29.193 4.469 3.924 1.00 0.00 H new ATOM 85 N ARG A 7 26.930 2.014 -1.060 1.00 0.00 N ATOM 86 CA ARG A 7 26.520 2.430 -2.430 1.00 0.00 C ATOM 87 C ARG A 7 25.179 1.796 -2.767 1.00 0.00 C ATOM 88 O ARG A 7 24.278 2.430 -3.279 1.00 0.00 O ATOM 89 CB ARG A 7 27.573 1.936 -3.426 1.00 0.00 C ATOM 90 CG ARG A 7 27.107 2.152 -4.869 1.00 0.00 C ATOM 91 CD ARG A 7 26.667 3.599 -5.056 1.00 0.00 C ATOM 92 NE ARG A 7 27.619 4.503 -4.351 1.00 0.00 N ATOM 93 CZ ARG A 7 28.758 4.816 -4.907 1.00 0.00 C ATOM 94 NH1 ARG A 7 29.059 4.347 -6.087 1.00 0.00 N ATOM 95 NH2 ARG A 7 29.594 5.600 -4.283 1.00 0.00 N ATOM 0 H ARG A 7 27.594 1.240 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 7 26.433 3.515 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 7 28.512 2.464 -3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 7 27.769 0.877 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 7 27.915 1.915 -5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 7 26.282 1.478 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 7 26.633 3.846 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 7 25.659 3.737 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 7 27.380 4.878 -3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 7 28.404 3.736 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 7 29.949 4.592 -6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 7 29.357 5.968 -3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 7 30.484 5.845 -4.717 1.00 0.00 H new ATOM 109 N MET A 8 25.054 0.537 -2.486 1.00 0.00 N ATOM 110 CA MET A 8 23.791 -0.194 -2.781 1.00 0.00 C ATOM 111 C MET A 8 22.977 -0.260 -1.497 1.00 0.00 C ATOM 112 O MET A 8 23.501 0.015 -0.436 1.00 0.00 O ATOM 113 CB MET A 8 24.167 -1.612 -3.243 1.00 0.00 C ATOM 114 CG MET A 8 25.427 -2.070 -2.509 1.00 0.00 C ATOM 115 SD MET A 8 25.571 -3.875 -2.622 1.00 0.00 S ATOM 116 CE MET A 8 26.949 -3.946 -3.795 1.00 0.00 C ATOM 0 H MET A 8 25.785 -0.031 -2.056 1.00 0.00 H new ATOM 0 HA MET A 8 23.208 0.302 -3.557 1.00 0.00 H new ATOM 0 HB2 MET A 8 23.346 -2.301 -3.043 1.00 0.00 H new ATOM 0 HB3 MET A 8 24.337 -1.622 -4.320 1.00 0.00 H new ATOM 0 HG2 MET A 8 26.307 -1.596 -2.945 1.00 0.00 H new ATOM 0 HG3 MET A 8 25.384 -1.763 -1.464 1.00 0.00 H new ATOM 0 HE1 MET A 8 27.198 -4.987 -4.001 1.00 0.00 H new ATOM 0 HE2 MET A 8 26.663 -3.450 -4.723 1.00 0.00 H new ATOM 0 HE3 MET A 8 27.817 -3.443 -3.368 1.00 0.00 H new ATOM 126 N PRO A 9 21.719 -0.641 -1.552 1.00 0.00 N ATOM 127 CA PRO A 9 20.897 -0.760 -0.316 1.00 0.00 C ATOM 128 C PRO A 9 21.608 -1.618 0.736 1.00 0.00 C ATOM 129 O PRO A 9 21.091 -1.862 1.808 1.00 0.00 O ATOM 130 CB PRO A 9 19.610 -1.434 -0.802 1.00 0.00 C ATOM 131 CG PRO A 9 19.496 -1.014 -2.225 1.00 0.00 C ATOM 132 CD PRO A 9 20.927 -0.980 -2.758 1.00 0.00 C ATOM 0 HA PRO A 9 20.713 0.201 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.669 -2.519 -0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.747 -1.111 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.883 -1.714 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.023 -0.035 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.224 -1.940 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 9 21.048 -0.235 -3.544 1.00 0.00 H new ATOM 140 N ASP A 10 22.806 -2.060 0.440 1.00 0.00 N ATOM 141 CA ASP A 10 23.559 -2.878 1.425 1.00 0.00 C ATOM 142 C ASP A 10 24.177 -1.927 2.442 1.00 0.00 C ATOM 143 O ASP A 10 25.088 -2.265 3.171 1.00 0.00 O ATOM 144 CB ASP A 10 24.654 -3.678 0.715 1.00 0.00 C ATOM 145 CG ASP A 10 25.149 -4.798 1.634 1.00 0.00 C ATOM 146 OD1 ASP A 10 24.841 -4.748 2.813 1.00 0.00 O ATOM 147 OD2 ASP A 10 25.827 -5.684 1.142 1.00 0.00 O ATOM 0 H ASP A 10 23.289 -1.887 -0.441 1.00 0.00 H new ATOM 0 HA ASP A 10 22.894 -3.584 1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 10 24.267 -4.099 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 10 25.482 -3.022 0.446 1.00 0.00 H new ATOM 152 N GLY A 11 23.672 -0.727 2.479 1.00 0.00 N ATOM 153 CA GLY A 11 24.191 0.294 3.423 1.00 0.00 C ATOM 154 C GLY A 11 23.721 1.663 2.946 1.00 0.00 C ATOM 155 O GLY A 11 23.600 2.599 3.711 1.00 0.00 O ATOM 0 H GLY A 11 22.908 -0.407 1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.829 0.098 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 11 25.280 0.258 3.462 1.00 0.00 H new ATOM 159 N CYS A 12 23.449 1.778 1.675 1.00 0.00 N ATOM 160 CA CYS A 12 22.976 3.077 1.124 1.00 0.00 C ATOM 161 C CYS A 12 21.727 3.521 1.893 1.00 0.00 C ATOM 162 O CYS A 12 21.815 4.192 2.901 1.00 0.00 O ATOM 163 CB CYS A 12 22.644 2.902 -0.363 1.00 0.00 C ATOM 164 SG CYS A 12 21.633 4.290 -0.940 1.00 0.00 S ATOM 0 H CYS A 12 23.535 1.025 0.993 1.00 0.00 H new ATOM 0 HA CYS A 12 23.752 3.835 1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.564 2.845 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.110 1.964 -0.517 1.00 0.00 H new ATOM 0 HG CYS A 12 21.360 4.133 -2.201 1.00 0.00 H new ATOM 170 N TYR A 13 20.565 3.148 1.429 1.00 0.00 N ATOM 171 CA TYR A 13 19.318 3.547 2.142 1.00 0.00 C ATOM 172 C TYR A 13 19.096 2.611 3.331 1.00 0.00 C ATOM 173 O TYR A 13 19.851 1.686 3.553 1.00 0.00 O ATOM 174 CB TYR A 13 18.123 3.448 1.188 1.00 0.00 C ATOM 175 CG TYR A 13 16.940 4.181 1.779 1.00 0.00 C ATOM 176 CD1 TYR A 13 16.837 5.571 1.639 1.00 0.00 C ATOM 177 CD2 TYR A 13 15.948 3.471 2.466 1.00 0.00 C ATOM 178 CE1 TYR A 13 15.742 6.250 2.186 1.00 0.00 C ATOM 179 CE2 TYR A 13 14.853 4.151 3.013 1.00 0.00 C ATOM 180 CZ TYR A 13 14.750 5.540 2.873 1.00 0.00 C ATOM 181 OH TYR A 13 13.671 6.209 3.413 1.00 0.00 O ATOM 0 H TYR A 13 20.425 2.586 0.589 1.00 0.00 H new ATOM 0 HA TYR A 13 19.414 4.574 2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 13 18.382 3.876 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.867 2.402 1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 13 17.602 6.119 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.027 2.399 2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.662 7.322 2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.088 3.604 3.543 1.00 0.00 H new ATOM 0 HH TYR A 13 13.076 5.568 3.855 1.00 0.00 H new ATOM 191 N ALA A 14 18.065 2.839 4.096 1.00 0.00 N ATOM 192 CA ALA A 14 17.800 1.956 5.266 1.00 0.00 C ATOM 193 C ALA A 14 17.602 0.520 4.778 1.00 0.00 C ATOM 194 O ALA A 14 18.532 -0.135 4.353 1.00 0.00 O ATOM 195 CB ALA A 14 16.539 2.434 5.991 1.00 0.00 C ATOM 0 H ALA A 14 17.396 3.597 3.962 1.00 0.00 H new ATOM 0 HA ALA A 14 18.645 1.993 5.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.345 1.788 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.683 3.458 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.690 2.396 5.308 1.00 0.00 H new ATOM 201 N ASP A 15 16.396 0.027 4.833 1.00 0.00 N ATOM 202 CA ASP A 15 16.135 -1.366 4.371 1.00 0.00 C ATOM 203 C ASP A 15 15.960 -1.370 2.851 1.00 0.00 C ATOM 204 O ASP A 15 15.776 -2.404 2.239 1.00 0.00 O ATOM 205 CB ASP A 15 14.860 -1.895 5.034 1.00 0.00 C ATOM 206 CG ASP A 15 14.756 -3.406 4.817 1.00 0.00 C ATOM 207 OD1 ASP A 15 15.789 -4.035 4.657 1.00 0.00 O ATOM 208 OD2 ASP A 15 13.644 -3.909 4.815 1.00 0.00 O ATOM 0 H ASP A 15 15.578 0.529 5.178 1.00 0.00 H new ATOM 0 HA ASP A 15 16.975 -2.004 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.873 -1.671 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.986 -1.396 4.614 1.00 0.00 H new ATOM 213 N GLY A 16 16.018 -0.219 2.237 1.00 0.00 N ATOM 214 CA GLY A 16 15.858 -0.154 0.756 1.00 0.00 C ATOM 215 C GLY A 16 14.402 -0.433 0.381 1.00 0.00 C ATOM 216 O GLY A 16 14.050 -0.488 -0.780 1.00 0.00 O ATOM 0 H GLY A 16 16.169 0.679 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.155 0.829 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 16 16.513 -0.883 0.278 1.00 0.00 H new ATOM 220 N THR A 17 13.553 -0.615 1.355 1.00 0.00 N ATOM 221 CA THR A 17 12.121 -0.897 1.049 1.00 0.00 C ATOM 222 C THR A 17 11.292 -0.753 2.317 1.00 0.00 C ATOM 223 O THR A 17 11.792 -0.390 3.363 1.00 0.00 O ATOM 224 CB THR A 17 11.976 -2.327 0.515 1.00 0.00 C ATOM 225 OG1 THR A 17 10.691 -2.836 0.840 1.00 0.00 O ATOM 226 CG2 THR A 17 13.045 -3.221 1.138 1.00 0.00 C ATOM 0 H THR A 17 13.788 -0.581 2.347 1.00 0.00 H new ATOM 0 HA THR A 17 11.771 -0.190 0.297 1.00 0.00 H new ATOM 0 HB THR A 17 12.097 -2.314 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.724 -3.272 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.938 -4.236 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.033 -2.839 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.928 -3.227 2.222 1.00 0.00 H new ATOM 234 N TRP A 18 10.027 -1.049 2.235 1.00 0.00 N ATOM 235 CA TRP A 18 9.170 -0.942 3.451 1.00 0.00 C ATOM 236 C TRP A 18 7.880 -1.742 3.259 1.00 0.00 C ATOM 237 O TRP A 18 7.736 -2.479 2.306 1.00 0.00 O ATOM 238 CB TRP A 18 8.841 0.534 3.744 1.00 0.00 C ATOM 239 CG TRP A 18 8.700 1.340 2.481 1.00 0.00 C ATOM 240 CD1 TRP A 18 9.607 2.245 2.039 1.00 0.00 C ATOM 241 CD2 TRP A 18 7.603 1.367 1.514 1.00 0.00 C ATOM 242 NE1 TRP A 18 9.132 2.828 0.875 1.00 0.00 N ATOM 243 CE2 TRP A 18 7.909 2.325 0.517 1.00 0.00 C ATOM 244 CE3 TRP A 18 6.386 0.670 1.400 1.00 0.00 C ATOM 245 CZ2 TRP A 18 7.048 2.589 -0.538 1.00 0.00 C ATOM 246 CZ3 TRP A 18 5.517 0.935 0.320 1.00 0.00 C ATOM 247 CH2 TRP A 18 5.850 1.893 -0.637 1.00 0.00 C ATOM 0 H TRP A 18 9.550 -1.358 1.388 1.00 0.00 H new ATOM 0 HA TRP A 18 9.716 -1.353 4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.916 0.593 4.317 1.00 0.00 H new ATOM 0 HB3 TRP A 18 9.627 0.965 4.364 1.00 0.00 H new ATOM 0 HD1 TRP A 18 10.548 2.475 2.517 1.00 0.00 H new ATOM 0 HE1 TRP A 18 9.632 3.544 0.349 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.116 -0.069 2.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 7.308 3.331 -1.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.587 0.392 0.234 1.00 0.00 H new ATOM 0 HH2 TRP A 18 5.176 2.094 -1.456 1.00 0.00 H new ATOM 258 N GLU A 19 6.935 -1.592 4.164 1.00 0.00 N ATOM 259 CA GLU A 19 5.649 -2.315 4.057 1.00 0.00 C ATOM 260 C GLU A 19 4.531 -1.299 4.127 1.00 0.00 C ATOM 261 O GLU A 19 4.750 -0.108 4.216 1.00 0.00 O ATOM 262 CB GLU A 19 5.486 -3.326 5.198 1.00 0.00 C ATOM 263 CG GLU A 19 5.443 -2.613 6.554 1.00 0.00 C ATOM 264 CD GLU A 19 6.746 -1.844 6.785 1.00 0.00 C ATOM 265 OE1 GLU A 19 7.793 -2.382 6.465 1.00 0.00 O ATOM 266 OE2 GLU A 19 6.674 -0.729 7.276 1.00 0.00 O ATOM 0 H GLU A 19 7.015 -0.986 4.981 1.00 0.00 H new ATOM 0 HA GLU A 19 5.623 -2.862 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.570 -3.899 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.313 -4.036 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.596 -1.927 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.295 -3.341 7.352 1.00 0.00 H new ATOM 273 N LEU A 20 3.344 -1.785 4.079 1.00 0.00 N ATOM 274 CA LEU A 20 2.133 -0.916 4.102 1.00 0.00 C ATOM 275 C LEU A 20 1.046 -1.580 4.941 1.00 0.00 C ATOM 276 O LEU A 20 1.005 -2.777 5.068 1.00 0.00 O ATOM 277 CB LEU A 20 1.632 -0.740 2.656 1.00 0.00 C ATOM 278 CG LEU A 20 1.728 0.732 2.207 1.00 0.00 C ATOM 279 CD1 LEU A 20 0.798 1.616 3.059 1.00 0.00 C ATOM 280 CD2 LEU A 20 3.180 1.229 2.327 1.00 0.00 C ATOM 0 H LEU A 20 3.142 -2.783 4.023 1.00 0.00 H new ATOM 0 HA LEU A 20 2.375 0.054 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.221 -1.366 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.598 -1.078 2.583 1.00 0.00 H new ATOM 0 HG LEU A 20 1.415 0.797 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.878 2.652 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.232 1.277 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.089 1.546 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.236 2.270 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.507 1.150 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.826 0.620 1.695 1.00 0.00 H new ATOM 292 N SER A 21 0.171 -0.794 5.507 1.00 0.00 N ATOM 293 CA SER A 21 -0.935 -1.336 6.342 1.00 0.00 C ATOM 294 C SER A 21 -2.282 -0.922 5.760 1.00 0.00 C ATOM 295 O SER A 21 -2.534 0.231 5.437 1.00 0.00 O ATOM 296 CB SER A 21 -0.800 -0.805 7.766 1.00 0.00 C ATOM 297 OG SER A 21 -0.363 0.548 7.725 1.00 0.00 O ATOM 0 H SER A 21 0.178 0.222 5.423 1.00 0.00 H new ATOM 0 HA SER A 21 -0.878 -2.424 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.756 -0.874 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.089 -1.412 8.327 1.00 0.00 H new ATOM 0 HG SER A 21 0.164 0.746 8.527 1.00 0.00 H new ATOM 303 N VAL A 22 -3.154 -1.877 5.644 1.00 0.00 N ATOM 304 CA VAL A 22 -4.520 -1.624 5.111 1.00 0.00 C ATOM 305 C VAL A 22 -5.534 -1.824 6.242 1.00 0.00 C ATOM 306 O VAL A 22 -5.277 -2.444 7.254 1.00 0.00 O ATOM 307 CB VAL A 22 -4.798 -2.541 3.889 1.00 0.00 C ATOM 308 CG1 VAL A 22 -6.277 -2.967 3.819 1.00 0.00 C ATOM 309 CG2 VAL A 22 -4.444 -1.773 2.607 1.00 0.00 C ATOM 0 H VAL A 22 -2.975 -2.847 5.902 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.609 -0.598 4.755 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.190 -3.440 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.430 -3.607 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.541 -3.514 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.907 -2.082 3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.634 -2.405 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.056 -0.873 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.390 -1.495 2.629 1.00 0.00 H new ATOM 319 N HIS A 23 -6.662 -1.236 6.052 1.00 0.00 N ATOM 320 CA HIS A 23 -7.774 -1.254 7.056 1.00 0.00 C ATOM 321 C HIS A 23 -9.117 -1.434 6.334 1.00 0.00 C ATOM 322 O HIS A 23 -9.495 -0.658 5.481 1.00 0.00 O ATOM 323 CB HIS A 23 -7.781 0.108 7.794 1.00 0.00 C ATOM 324 CG HIS A 23 -7.856 -0.087 9.289 1.00 0.00 C ATOM 325 ND1 HIS A 23 -9.049 0.011 9.988 1.00 0.00 N ATOM 326 CD2 HIS A 23 -6.894 -0.369 10.227 1.00 0.00 C ATOM 327 CE1 HIS A 23 -8.777 -0.208 11.287 1.00 0.00 C ATOM 328 NE2 HIS A 23 -7.478 -0.445 11.488 1.00 0.00 N ATOM 0 H HIS A 23 -6.884 -0.714 5.204 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.629 -2.074 7.759 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.880 0.667 7.541 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.630 0.703 7.458 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.844 -0.510 10.018 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.519 -0.194 12.072 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.014 -0.640 12.375 1.00 0.00 H new ATOM 336 N VAL A 24 -9.857 -2.433 6.675 1.00 0.00 N ATOM 337 CA VAL A 24 -11.168 -2.632 6.003 1.00 0.00 C ATOM 338 C VAL A 24 -12.274 -1.883 6.742 1.00 0.00 C ATOM 339 O VAL A 24 -12.775 -2.328 7.755 1.00 0.00 O ATOM 340 CB VAL A 24 -11.494 -4.124 5.947 1.00 0.00 C ATOM 341 CG1 VAL A 24 -12.604 -4.378 4.920 1.00 0.00 C ATOM 342 CG2 VAL A 24 -10.232 -4.909 5.555 1.00 0.00 C ATOM 0 H VAL A 24 -9.619 -3.123 7.387 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.105 -2.236 4.990 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.837 -4.455 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.831 -5.444 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.499 -3.825 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.272 -4.046 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.463 -5.973 5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.885 -4.576 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.451 -4.735 6.295 1.00 0.00 H new ATOM 352 N THR A 25 -12.673 -0.752 6.223 1.00 0.00 N ATOM 353 CA THR A 25 -13.760 0.019 6.873 1.00 0.00 C ATOM 354 C THR A 25 -15.091 -0.653 6.538 1.00 0.00 C ATOM 355 O THR A 25 -15.164 -1.482 5.655 1.00 0.00 O ATOM 356 CB THR A 25 -13.753 1.456 6.344 1.00 0.00 C ATOM 357 OG1 THR A 25 -14.505 1.519 5.141 1.00 0.00 O ATOM 358 CG2 THR A 25 -12.313 1.897 6.074 1.00 0.00 C ATOM 0 H THR A 25 -12.290 -0.333 5.376 1.00 0.00 H new ATOM 0 HA THR A 25 -13.616 0.042 7.953 1.00 0.00 H new ATOM 0 HB THR A 25 -14.198 2.119 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.503 2.438 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.310 2.920 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.738 1.849 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.863 1.236 5.333 1.00 0.00 H new ATOM 366 N ASP A 26 -16.138 -0.320 7.242 1.00 0.00 N ATOM 367 CA ASP A 26 -17.462 -0.958 6.968 1.00 0.00 C ATOM 368 C ASP A 26 -17.403 -2.443 7.356 1.00 0.00 C ATOM 369 O ASP A 26 -18.419 -3.091 7.508 1.00 0.00 O ATOM 370 CB ASP A 26 -17.815 -0.817 5.476 1.00 0.00 C ATOM 371 CG ASP A 26 -19.335 -0.892 5.291 1.00 0.00 C ATOM 372 OD1 ASP A 26 -19.990 0.110 5.523 1.00 0.00 O ATOM 373 OD2 ASP A 26 -19.816 -1.951 4.922 1.00 0.00 O ATOM 0 H ASP A 26 -16.136 0.367 7.996 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.232 -0.461 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -17.439 0.132 5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -17.330 -1.607 4.902 1.00 0.00 H new ATOM 378 N VAL A 27 -16.216 -2.978 7.529 1.00 0.00 N ATOM 379 CA VAL A 27 -16.063 -4.416 7.923 1.00 0.00 C ATOM 380 C VAL A 27 -15.319 -4.456 9.254 1.00 0.00 C ATOM 381 O VAL A 27 -15.538 -5.319 10.079 1.00 0.00 O ATOM 382 CB VAL A 27 -15.263 -5.149 6.853 1.00 0.00 C ATOM 383 CG1 VAL A 27 -15.368 -6.657 7.081 1.00 0.00 C ATOM 384 CG2 VAL A 27 -15.831 -4.801 5.474 1.00 0.00 C ATOM 0 H VAL A 27 -15.337 -2.473 7.413 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.035 -4.899 8.022 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.217 -4.847 6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.796 -7.181 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.970 -6.905 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.413 -6.962 7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.262 -5.323 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.876 -5.107 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.759 -3.726 5.312 1.00 0.00 H new ATOM 394 N ASN A 28 -14.481 -3.476 9.480 1.00 0.00 N ATOM 395 CA ASN A 28 -13.746 -3.358 10.768 1.00 0.00 C ATOM 396 C ASN A 28 -12.619 -4.383 10.918 1.00 0.00 C ATOM 397 O ASN A 28 -12.100 -4.569 12.001 1.00 0.00 O ATOM 398 CB ASN A 28 -14.760 -3.516 11.888 1.00 0.00 C ATOM 399 CG ASN A 28 -14.335 -2.711 13.122 1.00 0.00 C ATOM 400 OD1 ASN A 28 -15.129 -1.991 13.695 1.00 0.00 O ATOM 401 ND2 ASN A 28 -13.108 -2.805 13.556 1.00 0.00 N ATOM 0 H ASN A 28 -14.274 -2.738 8.807 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.260 -2.383 10.803 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -15.740 -3.180 11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.858 -4.569 12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.815 -2.274 14.376 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.442 -3.409 13.075 1.00 0.00 H new ATOM 408 N ARG A 29 -12.196 -5.002 9.855 1.00 0.00 N ATOM 409 CA ARG A 29 -11.047 -5.967 9.952 1.00 0.00 C ATOM 410 C ARG A 29 -9.857 -5.269 9.321 1.00 0.00 C ATOM 411 O ARG A 29 -9.971 -4.140 8.916 1.00 0.00 O ATOM 412 CB ARG A 29 -11.332 -7.288 9.223 1.00 0.00 C ATOM 413 CG ARG A 29 -11.965 -7.036 7.857 1.00 0.00 C ATOM 414 CD ARG A 29 -12.497 -8.355 7.286 1.00 0.00 C ATOM 415 NE ARG A 29 -12.638 -8.229 5.808 1.00 0.00 N ATOM 416 CZ ARG A 29 -11.577 -8.269 5.048 1.00 0.00 C ATOM 417 NH1 ARG A 29 -10.397 -8.419 5.585 1.00 0.00 N ATOM 418 NH2 ARG A 29 -11.696 -8.158 3.754 1.00 0.00 N ATOM 0 H ARG A 29 -12.589 -4.888 8.921 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.867 -6.231 10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.404 -7.847 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.997 -7.904 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.776 -6.314 7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.230 -6.604 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.817 -9.171 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.460 -8.597 7.736 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.561 -8.112 5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.304 -8.505 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.567 -8.450 4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.618 -8.040 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.867 -8.189 3.161 1.00 0.00 H new ATOM 432 N ASP A 30 -8.717 -5.887 9.241 1.00 0.00 N ATOM 433 CA ASP A 30 -7.556 -5.178 8.625 1.00 0.00 C ATOM 434 C ASP A 30 -6.610 -6.182 7.985 1.00 0.00 C ATOM 435 O ASP A 30 -6.501 -7.323 8.388 1.00 0.00 O ATOM 436 CB ASP A 30 -6.814 -4.344 9.692 1.00 0.00 C ATOM 437 CG ASP A 30 -7.044 -4.952 11.077 1.00 0.00 C ATOM 438 OD1 ASP A 30 -6.573 -6.055 11.304 1.00 0.00 O ATOM 439 OD2 ASP A 30 -7.685 -4.304 11.888 1.00 0.00 O ATOM 0 H ASP A 30 -8.535 -6.836 9.568 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.924 -4.504 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.747 -4.317 9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.169 -3.314 9.673 1.00 0.00 H new ATOM 444 N VAL A 31 -5.927 -5.733 6.981 1.00 0.00 N ATOM 445 CA VAL A 31 -4.961 -6.577 6.251 1.00 0.00 C ATOM 446 C VAL A 31 -3.810 -5.649 5.905 1.00 0.00 C ATOM 447 O VAL A 31 -3.982 -4.462 5.967 1.00 0.00 O ATOM 448 CB VAL A 31 -5.621 -7.123 4.982 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.785 -8.269 4.414 1.00 0.00 C ATOM 450 CG2 VAL A 31 -7.021 -7.641 5.323 1.00 0.00 C ATOM 0 H VAL A 31 -6.003 -4.780 6.625 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.622 -7.433 6.834 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.691 -6.326 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.260 -8.653 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.786 -7.906 4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.712 -9.067 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.494 -8.031 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.944 -8.436 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.623 -6.826 5.725 1.00 0.00 H new ATOM 460 N THR A 32 -2.641 -6.139 5.590 1.00 0.00 N ATOM 461 CA THR A 32 -1.505 -5.213 5.286 1.00 0.00 C ATOM 462 C THR A 32 -0.788 -5.652 4.018 1.00 0.00 C ATOM 463 O THR A 32 -0.723 -6.820 3.696 1.00 0.00 O ATOM 464 CB THR A 32 -0.537 -5.217 6.468 1.00 0.00 C ATOM 465 OG1 THR A 32 0.013 -6.517 6.628 1.00 0.00 O ATOM 466 CG2 THR A 32 -1.278 -4.810 7.747 1.00 0.00 C ATOM 0 H THR A 32 -2.421 -7.133 5.529 1.00 0.00 H new ATOM 0 HA THR A 32 -1.888 -4.205 5.127 1.00 0.00 H new ATOM 0 HB THR A 32 0.266 -4.505 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.635 -6.518 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.583 -4.814 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.693 -3.810 7.624 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.085 -5.516 7.940 1.00 0.00 H new ATOM 474 N LEU A 33 -0.244 -4.706 3.294 1.00 0.00 N ATOM 475 CA LEU A 33 0.480 -5.041 2.038 1.00 0.00 C ATOM 476 C LEU A 33 1.968 -5.059 2.305 1.00 0.00 C ATOM 477 O LEU A 33 2.503 -4.236 3.001 1.00 0.00 O ATOM 478 CB LEU A 33 0.229 -3.974 0.948 1.00 0.00 C ATOM 479 CG LEU A 33 -1.056 -4.251 0.156 1.00 0.00 C ATOM 480 CD1 LEU A 33 -0.989 -5.617 -0.556 1.00 0.00 C ATOM 481 CD2 LEU A 33 -2.277 -4.184 1.086 1.00 0.00 C ATOM 0 H LEU A 33 -0.273 -3.713 3.523 1.00 0.00 H new ATOM 0 HA LEU A 33 0.120 -6.012 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.163 -2.990 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.078 -3.948 0.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.156 -3.482 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.913 -5.785 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.146 -5.626 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.860 -6.407 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.182 -4.382 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.176 -4.930 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.340 -3.192 1.532 1.00 0.00 H new ATOM 493 N ARG A 34 2.632 -5.954 1.677 1.00 0.00 N ATOM 494 CA ARG A 34 4.118 -6.014 1.778 1.00 0.00 C ATOM 495 C ARG A 34 4.625 -5.486 0.440 1.00 0.00 C ATOM 496 O ARG A 34 4.678 -6.211 -0.532 1.00 0.00 O ATOM 497 CB ARG A 34 4.559 -7.466 1.959 1.00 0.00 C ATOM 498 CG ARG A 34 6.020 -7.513 2.426 1.00 0.00 C ATOM 499 CD ARG A 34 6.153 -6.987 3.868 1.00 0.00 C ATOM 500 NE ARG A 34 7.238 -7.739 4.561 1.00 0.00 N ATOM 501 CZ ARG A 34 8.477 -7.608 4.169 1.00 0.00 C ATOM 502 NH1 ARG A 34 8.768 -6.806 3.182 1.00 0.00 N ATOM 503 NH2 ARG A 34 9.424 -8.278 4.767 1.00 0.00 N ATOM 0 H ARG A 34 2.214 -6.669 1.081 1.00 0.00 H new ATOM 0 HA ARG A 34 4.501 -5.439 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.919 -7.962 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.451 -8.008 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.390 -8.537 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.639 -6.915 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.380 -5.921 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.210 -7.109 4.402 1.00 0.00 H new ATOM 0 HE ARG A 34 7.013 -8.356 5.341 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.028 -6.281 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.736 -6.704 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.196 -8.903 5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.392 -8.176 4.461 1.00 0.00 H new ATOM 517 N VAL A 35 4.937 -4.220 0.351 1.00 0.00 N ATOM 518 CA VAL A 35 5.360 -3.667 -0.971 1.00 0.00 C ATOM 519 C VAL A 35 6.267 -2.448 -0.833 1.00 0.00 C ATOM 520 O VAL A 35 6.709 -2.089 0.238 1.00 0.00 O ATOM 521 CB VAL A 35 4.100 -3.239 -1.735 1.00 0.00 C ATOM 522 CG1 VAL A 35 3.267 -4.470 -2.107 1.00 0.00 C ATOM 523 CG2 VAL A 35 3.250 -2.277 -0.867 1.00 0.00 C ATOM 0 H VAL A 35 4.918 -3.553 1.123 1.00 0.00 H new ATOM 0 HA VAL A 35 5.919 -4.443 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 35 4.403 -2.723 -2.646 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.375 -4.156 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.859 -5.133 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.973 -4.998 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.359 -1.980 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.955 -2.782 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.837 -1.392 -0.623 1.00 0.00 H new ATOM 533 N THR A 36 6.539 -1.810 -1.950 1.00 0.00 N ATOM 534 CA THR A 36 7.414 -0.602 -1.959 1.00 0.00 C ATOM 535 C THR A 36 6.807 0.455 -2.873 1.00 0.00 C ATOM 536 O THR A 36 5.808 0.233 -3.509 1.00 0.00 O ATOM 537 CB THR A 36 8.793 -0.960 -2.506 1.00 0.00 C ATOM 538 OG1 THR A 36 8.646 -1.653 -3.736 1.00 0.00 O ATOM 539 CG2 THR A 36 9.539 -1.845 -1.512 1.00 0.00 C ATOM 0 H THR A 36 6.184 -2.083 -2.866 1.00 0.00 H new ATOM 0 HA THR A 36 7.501 -0.227 -0.939 1.00 0.00 H new ATOM 0 HB THR A 36 9.362 -0.044 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.531 -1.882 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.522 -2.094 -1.913 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.656 -1.313 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.973 -2.761 -1.344 1.00 0.00 H new ATOM 547 N GLY A 37 7.431 1.596 -2.932 1.00 0.00 N ATOM 548 CA GLY A 37 6.948 2.726 -3.789 1.00 0.00 C ATOM 549 C GLY A 37 6.748 2.267 -5.238 1.00 0.00 C ATOM 550 O GLY A 37 6.527 3.071 -6.123 1.00 0.00 O ATOM 0 H GLY A 37 8.281 1.803 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.009 3.112 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.668 3.544 -3.759 1.00 0.00 H new ATOM 554 N GLU A 38 6.871 0.992 -5.497 1.00 0.00 N ATOM 555 CA GLU A 38 6.746 0.479 -6.899 1.00 0.00 C ATOM 556 C GLU A 38 5.397 -0.213 -7.167 1.00 0.00 C ATOM 557 O GLU A 38 5.038 -0.440 -8.306 1.00 0.00 O ATOM 558 CB GLU A 38 7.866 -0.543 -7.094 1.00 0.00 C ATOM 559 CG GLU A 38 7.551 -1.827 -6.297 1.00 0.00 C ATOM 560 CD GLU A 38 6.704 -2.781 -7.146 1.00 0.00 C ATOM 561 OE1 GLU A 38 7.154 -3.147 -8.219 1.00 0.00 O ATOM 562 OE2 GLU A 38 5.623 -3.132 -6.705 1.00 0.00 O ATOM 0 H GLU A 38 7.054 0.276 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 38 6.811 1.321 -7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.974 -0.779 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.815 -0.123 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.479 -2.317 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.018 -1.574 -5.380 1.00 0.00 H new ATOM 569 N VAL A 39 4.668 -0.587 -6.158 1.00 0.00 N ATOM 570 CA VAL A 39 3.379 -1.304 -6.418 1.00 0.00 C ATOM 571 C VAL A 39 2.334 -0.358 -7.006 1.00 0.00 C ATOM 572 O VAL A 39 2.074 0.708 -6.510 1.00 0.00 O ATOM 573 CB VAL A 39 2.861 -1.917 -5.124 1.00 0.00 C ATOM 574 CG1 VAL A 39 2.712 -0.827 -4.074 1.00 0.00 C ATOM 575 CG2 VAL A 39 1.509 -2.586 -5.366 1.00 0.00 C ATOM 0 H VAL A 39 4.898 -0.434 -5.176 1.00 0.00 H new ATOM 0 HA VAL A 39 3.565 -2.095 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 39 3.569 -2.668 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.341 -1.263 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.681 -0.361 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.007 -0.075 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.147 -3.022 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.794 -1.844 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.620 -3.371 -6.114 1.00 0.00 H new ATOM 585 N HIS A 40 1.710 -0.765 -8.056 1.00 0.00 N ATOM 586 CA HIS A 40 0.671 0.088 -8.678 1.00 0.00 C ATOM 587 C HIS A 40 -0.511 0.190 -7.731 1.00 0.00 C ATOM 588 O HIS A 40 -0.855 -0.763 -7.069 1.00 0.00 O ATOM 589 CB HIS A 40 0.208 -0.565 -9.980 1.00 0.00 C ATOM 590 CG HIS A 40 1.216 -0.311 -11.069 1.00 0.00 C ATOM 591 ND1 HIS A 40 1.851 0.913 -11.216 1.00 0.00 N ATOM 592 CD2 HIS A 40 1.706 -1.110 -12.072 1.00 0.00 C ATOM 593 CE1 HIS A 40 2.679 0.816 -12.272 1.00 0.00 C ATOM 594 NE2 HIS A 40 2.630 -0.396 -12.831 1.00 0.00 N ATOM 0 H HIS A 40 1.872 -1.659 -8.519 1.00 0.00 H new ATOM 0 HA HIS A 40 1.074 1.080 -8.881 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.081 -1.638 -9.834 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.763 -0.166 -10.272 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.419 -2.136 -12.246 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.307 1.621 -12.625 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.156 -0.727 -13.640 1.00 0.00 H new ATOM 602 N ILE A 41 -1.174 1.313 -7.677 1.00 0.00 N ATOM 603 CA ILE A 41 -2.360 1.388 -6.790 1.00 0.00 C ATOM 604 C ILE A 41 -3.289 0.285 -7.253 1.00 0.00 C ATOM 605 O ILE A 41 -3.769 -0.526 -6.486 1.00 0.00 O ATOM 606 CB ILE A 41 -3.052 2.730 -6.940 1.00 0.00 C ATOM 607 CG1 ILE A 41 -2.010 3.841 -6.774 1.00 0.00 C ATOM 608 CG2 ILE A 41 -4.144 2.859 -5.868 1.00 0.00 C ATOM 609 CD1 ILE A 41 -2.662 5.224 -6.910 1.00 0.00 C ATOM 0 H ILE A 41 -0.950 2.161 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.078 1.278 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.514 2.812 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.531 3.754 -5.799 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.228 3.727 -7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.644 3.822 -5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.872 2.057 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.692 2.790 -4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.904 5.997 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.119 5.315 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.427 5.343 -6.143 1.00 0.00 H new ATOM 621 N GLY A 42 -3.492 0.230 -8.536 1.00 0.00 N ATOM 622 CA GLY A 42 -4.328 -0.841 -9.109 1.00 0.00 C ATOM 623 C GLY A 42 -3.620 -2.171 -8.845 1.00 0.00 C ATOM 624 O GLY A 42 -4.105 -3.225 -9.190 1.00 0.00 O ATOM 0 H GLY A 42 -3.109 0.889 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.319 -0.838 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.467 -0.687 -10.179 1.00 0.00 H new ATOM 628 N GLY A 43 -2.469 -2.118 -8.209 1.00 0.00 N ATOM 629 CA GLY A 43 -1.706 -3.362 -7.888 1.00 0.00 C ATOM 630 C GLY A 43 -1.716 -3.524 -6.381 1.00 0.00 C ATOM 631 O GLY A 43 -1.622 -4.612 -5.850 1.00 0.00 O ATOM 0 H GLY A 43 -2.025 -1.254 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.162 -4.227 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.684 -3.292 -8.260 1.00 0.00 H new ATOM 635 N VAL A 44 -1.864 -2.434 -5.691 1.00 0.00 N ATOM 636 CA VAL A 44 -1.922 -2.481 -4.221 1.00 0.00 C ATOM 637 C VAL A 44 -3.155 -3.307 -3.855 1.00 0.00 C ATOM 638 O VAL A 44 -3.133 -4.124 -2.956 1.00 0.00 O ATOM 639 CB VAL A 44 -2.055 -1.037 -3.713 1.00 0.00 C ATOM 640 CG1 VAL A 44 -2.683 -1.009 -2.320 1.00 0.00 C ATOM 641 CG2 VAL A 44 -0.679 -0.353 -3.669 1.00 0.00 C ATOM 0 H VAL A 44 -1.948 -1.501 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.034 -2.930 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.702 -0.497 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.768 0.023 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.674 -1.461 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.056 -1.569 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.792 0.669 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.020 -0.905 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.248 -0.338 -4.670 1.00 0.00 H new ATOM 651 N MET A 45 -4.227 -3.106 -4.573 1.00 0.00 N ATOM 652 CA MET A 45 -5.464 -3.885 -4.301 1.00 0.00 C ATOM 653 C MET A 45 -5.243 -5.320 -4.771 1.00 0.00 C ATOM 654 O MET A 45 -5.574 -6.254 -4.089 1.00 0.00 O ATOM 655 CB MET A 45 -6.676 -3.252 -5.030 1.00 0.00 C ATOM 656 CG MET A 45 -6.202 -2.205 -6.043 1.00 0.00 C ATOM 657 SD MET A 45 -7.576 -1.763 -7.139 1.00 0.00 S ATOM 658 CE MET A 45 -8.069 -0.236 -6.301 1.00 0.00 C ATOM 0 H MET A 45 -4.297 -2.434 -5.337 1.00 0.00 H new ATOM 0 HA MET A 45 -5.680 -3.876 -3.233 1.00 0.00 H new ATOM 0 HB2 MET A 45 -7.248 -4.028 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.344 -2.789 -4.304 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.837 -1.319 -5.523 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.369 -2.598 -6.626 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.819 0.281 -6.899 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.486 -0.476 -5.323 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.198 0.408 -6.176 1.00 0.00 H new ATOM 668 N LEU A 46 -4.670 -5.507 -5.920 1.00 0.00 N ATOM 669 CA LEU A 46 -4.427 -6.892 -6.394 1.00 0.00 C ATOM 670 C LEU A 46 -3.423 -7.535 -5.469 1.00 0.00 C ATOM 671 O LEU A 46 -3.684 -8.555 -4.875 1.00 0.00 O ATOM 672 CB LEU A 46 -3.885 -6.865 -7.821 1.00 0.00 C ATOM 673 CG LEU A 46 -4.832 -6.052 -8.707 1.00 0.00 C ATOM 674 CD1 LEU A 46 -4.201 -5.852 -10.087 1.00 0.00 C ATOM 675 CD2 LEU A 46 -6.170 -6.788 -8.859 1.00 0.00 C ATOM 0 H LEU A 46 -4.360 -4.766 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.356 -7.462 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.888 -6.425 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.791 -7.881 -8.206 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.007 -5.082 -8.242 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.877 -5.273 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.257 -5.318 -9.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.019 -6.823 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.838 -6.202 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.999 -7.762 -9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.625 -6.923 -7.878 1.00 0.00 H new ATOM 687 N LYS A 47 -2.283 -6.936 -5.312 1.00 0.00 N ATOM 688 CA LYS A 47 -1.279 -7.511 -4.391 1.00 0.00 C ATOM 689 C LYS A 47 -1.976 -7.862 -3.077 1.00 0.00 C ATOM 690 O LYS A 47 -1.607 -8.787 -2.382 1.00 0.00 O ATOM 691 CB LYS A 47 -0.177 -6.479 -4.145 1.00 0.00 C ATOM 692 CG LYS A 47 1.006 -7.155 -3.441 1.00 0.00 C ATOM 693 CD LYS A 47 1.934 -7.824 -4.483 1.00 0.00 C ATOM 694 CE LYS A 47 2.999 -6.826 -4.974 1.00 0.00 C ATOM 695 NZ LYS A 47 4.223 -6.959 -4.135 1.00 0.00 N ATOM 0 H LYS A 47 -2.004 -6.074 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.833 -8.409 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.148 -6.045 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.559 -5.661 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.565 -6.418 -2.865 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.641 -7.901 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.419 -8.695 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.345 -8.181 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.239 -7.018 -6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.614 -5.808 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.782 -6.084 -4.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.949 -7.128 -3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.794 -7.758 -4.478 1.00 0.00 H new ATOM 709 N LEU A 48 -3.011 -7.134 -2.759 1.00 0.00 N ATOM 710 CA LEU A 48 -3.783 -7.412 -1.524 1.00 0.00 C ATOM 711 C LEU A 48 -4.833 -8.483 -1.826 1.00 0.00 C ATOM 712 O LEU A 48 -4.872 -9.524 -1.202 1.00 0.00 O ATOM 713 CB LEU A 48 -4.460 -6.120 -1.071 1.00 0.00 C ATOM 714 CG LEU A 48 -5.536 -6.405 -0.021 1.00 0.00 C ATOM 715 CD1 LEU A 48 -4.975 -7.305 1.088 1.00 0.00 C ATOM 716 CD2 LEU A 48 -5.994 -5.081 0.586 1.00 0.00 C ATOM 0 H LEU A 48 -3.356 -6.349 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.126 -7.772 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.715 -5.440 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.908 -5.619 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.375 -6.915 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.752 -7.499 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.641 -8.249 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.133 -6.808 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.761 -5.271 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.145 -4.582 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.403 -4.443 -0.198 1.00 0.00 H new ATOM 728 N VAL A 49 -5.680 -8.257 -2.790 1.00 0.00 N ATOM 729 CA VAL A 49 -6.698 -9.291 -3.109 1.00 0.00 C ATOM 730 C VAL A 49 -5.950 -10.587 -3.373 1.00 0.00 C ATOM 731 O VAL A 49 -6.366 -11.658 -2.978 1.00 0.00 O ATOM 732 CB VAL A 49 -7.501 -8.865 -4.339 1.00 0.00 C ATOM 733 CG1 VAL A 49 -8.526 -9.952 -4.680 1.00 0.00 C ATOM 734 CG2 VAL A 49 -8.222 -7.530 -4.047 1.00 0.00 C ATOM 0 H VAL A 49 -5.711 -7.414 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.401 -9.422 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.830 -8.729 -5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.099 -9.650 -5.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.008 -10.888 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -9.201 -10.093 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.794 -7.226 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.896 -7.658 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.485 -6.762 -3.811 1.00 0.00 H new ATOM 744 N GLU A 50 -4.816 -10.484 -4.006 1.00 0.00 N ATOM 745 CA GLU A 50 -4.000 -11.689 -4.260 1.00 0.00 C ATOM 746 C GLU A 50 -3.596 -12.284 -2.910 1.00 0.00 C ATOM 747 O GLU A 50 -3.687 -13.477 -2.699 1.00 0.00 O ATOM 748 CB GLU A 50 -2.759 -11.301 -5.057 1.00 0.00 C ATOM 749 CG GLU A 50 -3.183 -10.971 -6.485 1.00 0.00 C ATOM 750 CD GLU A 50 -1.977 -10.473 -7.283 1.00 0.00 C ATOM 751 OE1 GLU A 50 -1.256 -11.304 -7.810 1.00 0.00 O ATOM 752 OE2 GLU A 50 -1.794 -9.269 -7.353 1.00 0.00 O ATOM 0 H GLU A 50 -4.423 -9.611 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.566 -12.423 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.269 -10.442 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.037 -12.118 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.606 -11.855 -6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.963 -10.210 -6.475 1.00 0.00 H new ATOM 759 N LYS A 51 -3.171 -11.460 -1.977 1.00 0.00 N ATOM 760 CA LYS A 51 -2.796 -11.998 -0.644 1.00 0.00 C ATOM 761 C LYS A 51 -4.000 -12.774 -0.094 1.00 0.00 C ATOM 762 O LYS A 51 -3.910 -13.950 0.199 1.00 0.00 O ATOM 763 CB LYS A 51 -2.425 -10.829 0.292 1.00 0.00 C ATOM 764 CG LYS A 51 -0.902 -10.636 0.319 1.00 0.00 C ATOM 765 CD LYS A 51 -0.536 -9.445 1.215 1.00 0.00 C ATOM 766 CE LYS A 51 -1.027 -9.683 2.651 1.00 0.00 C ATOM 767 NZ LYS A 51 -0.937 -11.132 2.985 1.00 0.00 N ATOM 0 H LYS A 51 -3.071 -10.451 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.935 -12.662 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.909 -9.913 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.792 -11.029 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.420 -11.541 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.531 -10.468 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.544 -9.299 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.982 -8.533 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.426 -9.102 3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.057 -9.341 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.938 -11.251 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.752 -11.633 2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.058 -11.525 2.592 1.00 0.00 H new ATOM 781 N LEU A 52 -5.133 -12.131 0.028 1.00 0.00 N ATOM 782 CA LEU A 52 -6.339 -12.849 0.537 1.00 0.00 C ATOM 783 C LEU A 52 -6.645 -14.018 -0.405 1.00 0.00 C ATOM 784 O LEU A 52 -5.872 -14.323 -1.292 1.00 0.00 O ATOM 785 CB LEU A 52 -7.532 -11.888 0.575 1.00 0.00 C ATOM 786 CG LEU A 52 -7.192 -10.674 1.452 1.00 0.00 C ATOM 787 CD1 LEU A 52 -8.273 -9.601 1.284 1.00 0.00 C ATOM 788 CD2 LEU A 52 -7.110 -11.094 2.930 1.00 0.00 C ATOM 0 H LEU A 52 -5.275 -11.147 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.155 -13.222 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.780 -11.561 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.410 -12.399 0.969 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.227 -10.273 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.031 -8.740 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.320 -9.292 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.239 -10.007 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.868 -10.225 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.069 -11.505 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.334 -11.850 3.051 1.00 0.00 H new ATOM 800 N ASP A 53 -7.758 -14.683 -0.226 1.00 0.00 N ATOM 801 CA ASP A 53 -8.083 -15.833 -1.124 1.00 0.00 C ATOM 802 C ASP A 53 -9.595 -16.083 -1.146 1.00 0.00 C ATOM 803 O ASP A 53 -10.074 -16.942 -1.859 1.00 0.00 O ATOM 804 CB ASP A 53 -7.374 -17.090 -0.615 1.00 0.00 C ATOM 805 CG ASP A 53 -5.866 -16.839 -0.551 1.00 0.00 C ATOM 806 OD1 ASP A 53 -5.245 -16.810 -1.600 1.00 0.00 O ATOM 807 OD2 ASP A 53 -5.358 -16.682 0.547 1.00 0.00 O ATOM 0 H ASP A 53 -8.450 -14.482 0.496 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.747 -15.597 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.750 -17.357 0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.585 -17.931 -1.275 1.00 0.00 H new ATOM 812 N VAL A 54 -10.354 -15.352 -0.375 1.00 0.00 N ATOM 813 CA VAL A 54 -11.829 -15.575 -0.371 1.00 0.00 C ATOM 814 C VAL A 54 -12.441 -14.969 -1.641 1.00 0.00 C ATOM 815 O VAL A 54 -13.602 -14.615 -1.675 1.00 0.00 O ATOM 816 CB VAL A 54 -12.447 -14.921 0.874 1.00 0.00 C ATOM 817 CG1 VAL A 54 -13.804 -15.562 1.181 1.00 0.00 C ATOM 818 CG2 VAL A 54 -11.512 -15.122 2.068 1.00 0.00 C ATOM 0 H VAL A 54 -10.021 -14.616 0.247 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.036 -16.645 -0.349 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.586 -13.856 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.236 -15.093 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.473 -15.422 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.670 -16.628 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -11.948 -14.659 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -11.374 -16.188 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.547 -14.662 1.856 1.00 0.00 H new ATOM 828 N LYS A 55 -11.667 -14.854 -2.686 1.00 0.00 N ATOM 829 CA LYS A 55 -12.200 -14.281 -3.956 1.00 0.00 C ATOM 830 C LYS A 55 -12.844 -12.918 -3.684 1.00 0.00 C ATOM 831 O LYS A 55 -14.049 -12.800 -3.586 1.00 0.00 O ATOM 832 CB LYS A 55 -13.247 -15.233 -4.541 1.00 0.00 C ATOM 833 CG LYS A 55 -13.600 -14.795 -5.965 1.00 0.00 C ATOM 834 CD LYS A 55 -14.851 -15.542 -6.441 1.00 0.00 C ATOM 835 CE LYS A 55 -14.556 -17.042 -6.562 1.00 0.00 C ATOM 836 NZ LYS A 55 -14.648 -17.677 -5.217 1.00 0.00 N ATOM 0 H LYS A 55 -10.686 -15.133 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.382 -14.154 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.862 -16.253 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.141 -15.234 -3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.775 -13.719 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.766 -14.999 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.669 -15.380 -5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.174 -15.148 -7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.265 -17.509 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.561 -17.195 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.709 -18.018 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.989 -16.979 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.310 -18.478 -5.256 1.00 0.00 H new ATOM 850 N LYS A 56 -12.045 -11.886 -3.568 1.00 0.00 N ATOM 851 CA LYS A 56 -12.592 -10.515 -3.309 1.00 0.00 C ATOM 852 C LYS A 56 -12.526 -9.702 -4.604 1.00 0.00 C ATOM 853 O LYS A 56 -11.593 -9.809 -5.373 1.00 0.00 O ATOM 854 CB LYS A 56 -11.740 -9.830 -2.212 1.00 0.00 C ATOM 855 CG LYS A 56 -12.406 -9.971 -0.831 1.00 0.00 C ATOM 856 CD LYS A 56 -12.304 -11.426 -0.343 1.00 0.00 C ATOM 857 CE LYS A 56 -10.945 -11.668 0.340 1.00 0.00 C ATOM 858 NZ LYS A 56 -11.078 -11.423 1.804 1.00 0.00 N ATOM 0 H LYS A 56 -11.029 -11.934 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.627 -10.578 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.745 -10.275 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.611 -8.775 -2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.924 -9.304 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.452 -9.671 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.113 -11.640 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.422 -12.108 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.611 -12.690 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.189 -11.007 -0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.224 -11.761 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.194 -10.404 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.909 -11.932 2.167 1.00 0.00 H new ATOM 872 N ASP A 57 -13.512 -8.886 -4.843 1.00 0.00 N ATOM 873 CA ASP A 57 -13.510 -8.060 -6.077 1.00 0.00 C ATOM 874 C ASP A 57 -12.203 -7.265 -6.148 1.00 0.00 C ATOM 875 O ASP A 57 -11.583 -6.978 -5.143 1.00 0.00 O ATOM 876 CB ASP A 57 -14.702 -7.105 -6.052 1.00 0.00 C ATOM 877 CG ASP A 57 -15.917 -7.822 -5.458 1.00 0.00 C ATOM 878 OD1 ASP A 57 -15.985 -9.033 -5.584 1.00 0.00 O ATOM 879 OD2 ASP A 57 -16.758 -7.146 -4.888 1.00 0.00 O ATOM 0 H ASP A 57 -14.320 -8.756 -4.235 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.589 -8.703 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.462 -6.222 -5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.927 -6.760 -7.061 1.00 0.00 H new ATOM 884 N TRP A 58 -11.773 -6.926 -7.331 1.00 0.00 N ATOM 885 CA TRP A 58 -10.499 -6.173 -7.491 1.00 0.00 C ATOM 886 C TRP A 58 -10.763 -4.668 -7.605 1.00 0.00 C ATOM 887 O TRP A 58 -10.594 -3.924 -6.659 1.00 0.00 O ATOM 888 CB TRP A 58 -9.814 -6.666 -8.762 1.00 0.00 C ATOM 889 CG TRP A 58 -9.613 -8.145 -8.670 1.00 0.00 C ATOM 890 CD1 TRP A 58 -8.782 -8.766 -7.800 1.00 0.00 C ATOM 891 CD2 TRP A 58 -10.245 -9.199 -9.453 1.00 0.00 C ATOM 892 NE1 TRP A 58 -8.862 -10.132 -8.003 1.00 0.00 N ATOM 893 CE2 TRP A 58 -9.750 -10.448 -9.011 1.00 0.00 C ATOM 894 CE3 TRP A 58 -11.190 -9.190 -10.495 1.00 0.00 C ATOM 895 CZ2 TRP A 58 -10.177 -11.647 -9.583 1.00 0.00 C ATOM 896 CZ3 TRP A 58 -11.622 -10.395 -11.073 1.00 0.00 C ATOM 897 CH2 TRP A 58 -11.117 -11.621 -10.618 1.00 0.00 C ATOM 0 H TRP A 58 -12.256 -7.141 -8.203 1.00 0.00 H new ATOM 0 HA TRP A 58 -9.867 -6.340 -6.619 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -10.421 -6.423 -9.634 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -8.855 -6.164 -8.891 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.159 -8.275 -7.067 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -8.330 -10.822 -7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -11.586 -8.251 -10.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.784 -12.589 -9.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -12.348 -10.377 -11.873 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.453 -12.544 -11.066 1.00 0.00 H new ATOM 908 N SER A 59 -11.149 -4.212 -8.764 1.00 0.00 N ATOM 909 CA SER A 59 -11.396 -2.752 -8.955 1.00 0.00 C ATOM 910 C SER A 59 -12.677 -2.314 -8.238 1.00 0.00 C ATOM 911 O SER A 59 -12.753 -1.226 -7.703 1.00 0.00 O ATOM 912 CB SER A 59 -11.531 -2.458 -10.449 1.00 0.00 C ATOM 913 OG SER A 59 -10.275 -2.665 -11.083 1.00 0.00 O ATOM 0 H SER A 59 -11.305 -4.788 -9.591 1.00 0.00 H new ATOM 0 HA SER A 59 -10.556 -2.199 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.287 -3.107 -10.892 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.863 -1.431 -10.601 1.00 0.00 H new ATOM 0 HG SER A 59 -10.358 -2.479 -12.042 1.00 0.00 H new ATOM 919 N ASP A 60 -13.688 -3.137 -8.231 1.00 0.00 N ATOM 920 CA ASP A 60 -14.960 -2.740 -7.558 1.00 0.00 C ATOM 921 C ASP A 60 -14.660 -2.191 -6.158 1.00 0.00 C ATOM 922 O ASP A 60 -15.234 -1.208 -5.734 1.00 0.00 O ATOM 923 CB ASP A 60 -15.885 -3.958 -7.449 1.00 0.00 C ATOM 924 CG ASP A 60 -17.324 -3.494 -7.205 1.00 0.00 C ATOM 925 OD1 ASP A 60 -17.512 -2.315 -6.957 1.00 0.00 O ATOM 926 OD2 ASP A 60 -18.213 -4.327 -7.271 1.00 0.00 O ATOM 0 H ASP A 60 -13.691 -4.063 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.451 -1.965 -8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.833 -4.549 -8.364 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.558 -4.603 -6.634 1.00 0.00 H new ATOM 931 N HIS A 61 -13.769 -2.815 -5.435 1.00 0.00 N ATOM 932 CA HIS A 61 -13.443 -2.329 -4.071 1.00 0.00 C ATOM 933 C HIS A 61 -12.524 -1.110 -4.167 1.00 0.00 C ATOM 934 O HIS A 61 -12.145 -0.690 -5.243 1.00 0.00 O ATOM 935 CB HIS A 61 -12.758 -3.442 -3.283 1.00 0.00 C ATOM 936 CG HIS A 61 -13.667 -4.638 -3.204 1.00 0.00 C ATOM 937 ND1 HIS A 61 -13.192 -5.908 -2.918 1.00 0.00 N ATOM 938 CD2 HIS A 61 -15.025 -4.770 -3.356 1.00 0.00 C ATOM 939 CE1 HIS A 61 -14.248 -6.742 -2.904 1.00 0.00 C ATOM 940 NE2 HIS A 61 -15.390 -6.100 -3.165 1.00 0.00 N ATOM 0 H HIS A 61 -13.253 -3.643 -5.735 1.00 0.00 H new ATOM 0 HA HIS A 61 -14.360 -2.042 -3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.819 -3.717 -3.764 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -12.512 -3.093 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -15.706 -3.965 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -14.180 -7.802 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -16.328 -6.498 -3.214 1.00 0.00 H new ATOM 948 N ALA A 62 -12.178 -0.525 -3.052 1.00 0.00 N ATOM 949 CA ALA A 62 -11.298 0.688 -3.088 1.00 0.00 C ATOM 950 C ALA A 62 -10.577 0.859 -1.755 1.00 0.00 C ATOM 951 O ALA A 62 -11.035 0.386 -0.739 1.00 0.00 O ATOM 952 CB ALA A 62 -12.167 1.918 -3.318 1.00 0.00 C ATOM 0 H ALA A 62 -12.463 -0.829 -2.121 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.566 0.570 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.538 2.808 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.696 1.818 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.889 2.010 -2.507 1.00 0.00 H new ATOM 958 N LEU A 63 -9.453 1.544 -1.738 1.00 0.00 N ATOM 959 CA LEU A 63 -8.727 1.744 -0.456 1.00 0.00 C ATOM 960 C LEU A 63 -9.014 3.133 0.096 1.00 0.00 C ATOM 961 O LEU A 63 -8.709 4.129 -0.530 1.00 0.00 O ATOM 962 CB LEU A 63 -7.218 1.630 -0.685 1.00 0.00 C ATOM 963 CG LEU A 63 -6.844 0.305 -1.373 1.00 0.00 C ATOM 964 CD1 LEU A 63 -7.512 -0.866 -0.654 1.00 0.00 C ATOM 965 CD2 LEU A 63 -7.255 0.309 -2.865 1.00 0.00 C ATOM 0 H LEU A 63 -9.016 1.968 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.062 0.982 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.879 2.466 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.699 1.703 0.271 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.761 0.194 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.241 -1.799 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.178 -0.895 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.594 -0.741 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.977 -0.641 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.333 0.448 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.745 1.123 -3.381 1.00 0.00 H new ATOM 977 N TRP A 64 -9.571 3.227 1.280 1.00 0.00 N ATOM 978 CA TRP A 64 -9.825 4.579 1.848 1.00 0.00 C ATOM 979 C TRP A 64 -8.535 5.027 2.546 1.00 0.00 C ATOM 980 O TRP A 64 -7.948 4.288 3.309 1.00 0.00 O ATOM 981 CB TRP A 64 -11.004 4.507 2.856 1.00 0.00 C ATOM 982 CG TRP A 64 -12.021 5.594 2.601 1.00 0.00 C ATOM 983 CD1 TRP A 64 -12.509 5.953 1.386 1.00 0.00 C ATOM 984 CD2 TRP A 64 -12.688 6.455 3.572 1.00 0.00 C ATOM 985 NE1 TRP A 64 -13.420 6.979 1.554 1.00 0.00 N ATOM 986 CE2 TRP A 64 -13.566 7.323 2.881 1.00 0.00 C ATOM 987 CE3 TRP A 64 -12.614 6.567 4.971 1.00 0.00 C ATOM 988 CZ2 TRP A 64 -14.342 8.267 3.553 1.00 0.00 C ATOM 989 CZ3 TRP A 64 -13.395 7.516 5.652 1.00 0.00 C ATOM 990 CH2 TRP A 64 -14.257 8.365 4.943 1.00 0.00 C ATOM 0 H TRP A 64 -9.854 2.440 1.864 1.00 0.00 H new ATOM 0 HA TRP A 64 -10.097 5.292 1.070 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.486 3.532 2.783 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.621 4.598 3.872 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.231 5.509 0.442 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -13.923 7.427 0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -11.952 5.919 5.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -15.004 8.918 3.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -13.331 7.592 6.727 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -14.854 9.093 5.471 1.00 0.00 H new ATOM 1001 N TRP A 65 -8.065 6.215 2.251 1.00 0.00 N ATOM 1002 CA TRP A 65 -6.788 6.703 2.871 1.00 0.00 C ATOM 1003 C TRP A 65 -7.092 7.590 4.085 1.00 0.00 C ATOM 1004 O TRP A 65 -7.672 8.648 3.959 1.00 0.00 O ATOM 1005 CB TRP A 65 -6.028 7.527 1.832 1.00 0.00 C ATOM 1006 CG TRP A 65 -4.626 7.835 2.284 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.065 7.485 3.472 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -3.598 8.566 1.553 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -2.763 7.951 3.504 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -2.430 8.624 2.347 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -3.569 9.178 0.286 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -1.273 9.266 1.902 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -2.408 9.826 -0.165 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -1.262 9.870 0.642 1.00 0.00 C ATOM 0 H TRP A 65 -8.509 6.870 1.607 1.00 0.00 H new ATOM 0 HA TRP A 65 -6.193 5.849 3.196 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -5.995 6.982 0.889 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.563 8.458 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.555 6.934 4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -2.126 7.814 4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.446 9.149 -0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -0.393 9.296 2.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.397 10.293 -1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.372 10.370 0.290 1.00 0.00 H new ATOM 1025 N GLU A 66 -6.696 7.174 5.256 1.00 0.00 N ATOM 1026 CA GLU A 66 -6.943 7.976 6.468 1.00 0.00 C ATOM 1027 C GLU A 66 -6.389 9.395 6.300 1.00 0.00 C ATOM 1028 O GLU A 66 -6.847 10.323 6.936 1.00 0.00 O ATOM 1029 CB GLU A 66 -6.221 7.295 7.620 1.00 0.00 C ATOM 1030 CG GLU A 66 -6.738 5.867 7.784 1.00 0.00 C ATOM 1031 CD GLU A 66 -6.188 5.271 9.081 1.00 0.00 C ATOM 1032 OE1 GLU A 66 -4.989 5.055 9.149 1.00 0.00 O ATOM 1033 OE2 GLU A 66 -6.975 5.041 9.985 1.00 0.00 O ATOM 0 H GLU A 66 -6.204 6.295 5.418 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.015 8.046 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.147 7.283 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.377 7.856 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.828 5.863 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.432 5.258 6.933 1.00 0.00 H new ATOM 1040 N LYS A 67 -5.390 9.574 5.475 1.00 0.00 N ATOM 1041 CA LYS A 67 -4.804 10.932 5.311 1.00 0.00 C ATOM 1042 C LYS A 67 -5.867 11.947 4.877 1.00 0.00 C ATOM 1043 O LYS A 67 -6.043 12.973 5.505 1.00 0.00 O ATOM 1044 CB LYS A 67 -3.719 10.878 4.252 1.00 0.00 C ATOM 1045 CG LYS A 67 -3.044 12.241 4.185 1.00 0.00 C ATOM 1046 CD LYS A 67 -1.890 12.194 3.189 1.00 0.00 C ATOM 1047 CE LYS A 67 -1.483 13.618 2.799 1.00 0.00 C ATOM 1048 NZ LYS A 67 -0.099 13.608 2.245 1.00 0.00 N ATOM 0 H LYS A 67 -4.958 8.841 4.912 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.394 11.247 6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.990 10.105 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.147 10.619 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.766 13.001 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.675 12.524 5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.040 11.670 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.186 11.635 2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.178 14.016 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.533 14.273 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.176 14.575 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.560 13.245 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.066 12.997 1.404 1.00 0.00 H new ATOM 1062 N LYS A 68 -6.570 11.675 3.807 1.00 0.00 N ATOM 1063 CA LYS A 68 -7.624 12.623 3.317 1.00 0.00 C ATOM 1064 C LYS A 68 -8.932 11.859 3.187 1.00 0.00 C ATOM 1065 O LYS A 68 -9.892 12.326 2.608 1.00 0.00 O ATOM 1066 CB LYS A 68 -7.221 13.191 1.950 1.00 0.00 C ATOM 1067 CG LYS A 68 -5.737 13.590 1.975 1.00 0.00 C ATOM 1068 CD LYS A 68 -5.366 14.415 0.716 1.00 0.00 C ATOM 1069 CE LYS A 68 -4.847 13.494 -0.400 1.00 0.00 C ATOM 1070 NZ LYS A 68 -5.603 12.210 -0.395 1.00 0.00 N ATOM 0 H LYS A 68 -6.460 10.831 3.245 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.738 13.449 4.019 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.395 12.449 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.837 14.057 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.528 14.173 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.116 12.695 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.239 14.965 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.605 15.153 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.955 13.985 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.784 13.300 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.329 11.643 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.385 11.682 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.623 12.408 -0.433 1.00 0.00 H new ATOM 1084 N ARG A 69 -8.968 10.679 3.732 1.00 0.00 N ATOM 1085 CA ARG A 69 -10.209 9.858 3.658 1.00 0.00 C ATOM 1086 C ARG A 69 -10.715 9.828 2.214 1.00 0.00 C ATOM 1087 O ARG A 69 -11.904 9.863 1.964 1.00 0.00 O ATOM 1088 CB ARG A 69 -11.291 10.466 4.566 1.00 0.00 C ATOM 1089 CG ARG A 69 -10.899 10.316 6.055 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.075 11.529 6.527 1.00 0.00 C ATOM 1091 NE ARG A 69 -10.994 12.564 7.082 1.00 0.00 N ATOM 1092 CZ ARG A 69 -10.545 13.461 7.920 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -9.288 13.453 8.273 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -11.352 14.363 8.407 1.00 0.00 N ATOM 0 H ARG A 69 -8.190 10.244 4.228 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.989 8.843 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.426 11.520 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.246 9.972 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.797 10.221 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.322 9.402 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.355 11.221 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.504 11.941 5.695 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.976 12.572 6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.657 12.747 7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.937 14.153 8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.335 14.369 8.134 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.000 15.062 9.061 1.00 0.00 H new ATOM 1108 N THR A 70 -9.819 9.751 1.261 1.00 0.00 N ATOM 1109 CA THR A 70 -10.227 9.705 -0.171 1.00 0.00 C ATOM 1110 C THR A 70 -10.067 8.271 -0.664 1.00 0.00 C ATOM 1111 O THR A 70 -9.997 7.354 0.121 1.00 0.00 O ATOM 1112 CB THR A 70 -9.328 10.647 -0.984 1.00 0.00 C ATOM 1113 OG1 THR A 70 -9.873 10.811 -2.285 1.00 0.00 O ATOM 1114 CG2 THR A 70 -7.911 10.070 -1.091 1.00 0.00 C ATOM 0 H THR A 70 -8.812 9.718 1.420 1.00 0.00 H new ATOM 0 HA THR A 70 -11.263 10.023 -0.287 1.00 0.00 H new ATOM 0 HB THR A 70 -9.278 11.612 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.838 10.642 -2.259 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.285 10.749 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.490 9.951 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.950 9.100 -1.587 1.00 0.00 H new ATOM 1122 N TRP A 71 -10.004 8.072 -1.952 1.00 0.00 N ATOM 1123 CA TRP A 71 -9.844 6.696 -2.505 1.00 0.00 C ATOM 1124 C TRP A 71 -8.675 6.668 -3.496 1.00 0.00 C ATOM 1125 O TRP A 71 -8.364 7.651 -4.138 1.00 0.00 O ATOM 1126 CB TRP A 71 -11.129 6.297 -3.239 1.00 0.00 C ATOM 1127 CG TRP A 71 -12.318 6.897 -2.560 1.00 0.00 C ATOM 1128 CD1 TRP A 71 -13.230 6.205 -1.841 1.00 0.00 C ATOM 1129 CD2 TRP A 71 -12.747 8.289 -2.534 1.00 0.00 C ATOM 1130 NE1 TRP A 71 -14.186 7.084 -1.365 1.00 0.00 N ATOM 1131 CE2 TRP A 71 -13.933 8.380 -1.767 1.00 0.00 C ATOM 1132 CE3 TRP A 71 -12.227 9.470 -3.092 1.00 0.00 C ATOM 1133 CZ2 TRP A 71 -14.580 9.598 -1.561 1.00 0.00 C ATOM 1134 CZ3 TRP A 71 -12.876 10.699 -2.887 1.00 0.00 C ATOM 1135 CH2 TRP A 71 -14.050 10.762 -2.123 1.00 0.00 C ATOM 0 H TRP A 71 -10.057 8.811 -2.653 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.646 6.000 -1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.084 6.633 -4.275 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.222 5.211 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.215 5.139 -1.667 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.980 6.808 -0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -11.323 9.432 -3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -15.484 9.641 -0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.468 11.600 -3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.544 11.710 -1.969 1.00 0.00 H new ATOM 1146 N LEU A 72 -8.050 5.530 -3.634 1.00 0.00 N ATOM 1147 CA LEU A 72 -6.913 5.379 -4.596 1.00 0.00 C ATOM 1148 C LEU A 72 -7.394 4.486 -5.742 1.00 0.00 C ATOM 1149 O LEU A 72 -7.710 3.327 -5.540 1.00 0.00 O ATOM 1150 CB LEU A 72 -5.708 4.726 -3.892 1.00 0.00 C ATOM 1151 CG LEU A 72 -5.672 5.128 -2.418 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -4.637 4.280 -1.687 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -5.295 6.607 -2.317 1.00 0.00 C ATOM 0 H LEU A 72 -8.281 4.684 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.600 6.353 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.772 3.641 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.783 5.031 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.650 4.968 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.610 4.565 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.905 3.227 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.655 4.441 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.266 6.904 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.314 6.764 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.036 7.208 -2.845 1.00 0.00 H new ATOM 1165 N LEU A 73 -7.498 5.033 -6.930 1.00 0.00 N ATOM 1166 CA LEU A 73 -8.006 4.246 -8.093 1.00 0.00 C ATOM 1167 C LEU A 73 -6.908 3.997 -9.134 1.00 0.00 C ATOM 1168 O LEU A 73 -6.489 2.877 -9.354 1.00 0.00 O ATOM 1169 CB LEU A 73 -9.131 5.037 -8.773 1.00 0.00 C ATOM 1170 CG LEU A 73 -10.271 5.363 -7.784 1.00 0.00 C ATOM 1171 CD1 LEU A 73 -10.762 4.078 -7.098 1.00 0.00 C ATOM 1172 CD2 LEU A 73 -9.803 6.388 -6.721 1.00 0.00 C ATOM 0 H LEU A 73 -7.250 5.999 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.359 3.285 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.729 5.963 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.527 4.462 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.095 5.803 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.566 4.321 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.131 3.382 -7.851 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.937 3.619 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.623 6.602 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.962 5.976 -6.163 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.494 7.309 -7.215 1.00 0.00 H new ATOM 1184 N LYS A 74 -6.492 5.021 -9.825 1.00 0.00 N ATOM 1185 CA LYS A 74 -5.487 4.845 -10.906 1.00 0.00 C ATOM 1186 C LYS A 74 -4.119 4.352 -10.419 1.00 0.00 C ATOM 1187 O LYS A 74 -3.648 4.657 -9.350 1.00 0.00 O ATOM 1188 CB LYS A 74 -5.360 6.159 -11.691 1.00 0.00 C ATOM 1189 CG LYS A 74 -4.454 7.187 -10.986 1.00 0.00 C ATOM 1190 CD LYS A 74 -5.239 7.981 -9.921 1.00 0.00 C ATOM 1191 CE LYS A 74 -5.406 7.183 -8.612 1.00 0.00 C ATOM 1192 NZ LYS A 74 -4.858 7.979 -7.476 1.00 0.00 N ATOM 0 H LYS A 74 -6.809 5.980 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.851 4.050 -11.557 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.960 5.948 -12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.351 6.590 -11.832 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.614 6.675 -10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.037 7.874 -11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.721 8.917 -9.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.221 8.242 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.459 6.960 -8.440 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.886 6.228 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.406 7.340 -6.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.155 8.656 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.631 8.496 -7.010 1.00 0.00 H new ATOM 1206 N THR A 75 -3.469 3.604 -11.244 1.00 0.00 N ATOM 1207 CA THR A 75 -2.114 3.103 -10.907 1.00 0.00 C ATOM 1208 C THR A 75 -1.094 4.212 -11.207 1.00 0.00 C ATOM 1209 O THR A 75 -0.039 4.292 -10.611 1.00 0.00 O ATOM 1210 CB THR A 75 -1.820 1.875 -11.766 1.00 0.00 C ATOM 1211 OG1 THR A 75 -0.426 1.607 -11.743 1.00 0.00 O ATOM 1212 CG2 THR A 75 -2.263 2.146 -13.203 1.00 0.00 C ATOM 0 H THR A 75 -3.820 3.310 -12.155 1.00 0.00 H new ATOM 0 HA THR A 75 -2.053 2.830 -9.854 1.00 0.00 H new ATOM 0 HB THR A 75 -2.362 1.015 -11.373 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.083 1.734 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.055 1.271 -13.819 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.332 2.356 -13.221 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.718 3.005 -13.596 1.00 0.00 H new ATOM 1220 N HIS A 76 -1.416 5.054 -12.157 1.00 0.00 N ATOM 1221 CA HIS A 76 -0.501 6.164 -12.565 1.00 0.00 C ATOM 1222 C HIS A 76 0.039 6.914 -11.349 1.00 0.00 C ATOM 1223 O HIS A 76 1.034 7.602 -11.437 1.00 0.00 O ATOM 1224 CB HIS A 76 -1.277 7.146 -13.437 1.00 0.00 C ATOM 1225 CG HIS A 76 -0.344 8.202 -13.961 1.00 0.00 C ATOM 1226 ND1 HIS A 76 -0.091 9.376 -13.267 1.00 0.00 N ATOM 1227 CD2 HIS A 76 0.403 8.278 -15.110 1.00 0.00 C ATOM 1228 CE1 HIS A 76 0.774 10.101 -13.999 1.00 0.00 C ATOM 1229 NE2 HIS A 76 1.108 9.478 -15.132 1.00 0.00 N ATOM 0 H HIS A 76 -2.293 5.018 -12.677 1.00 0.00 H new ATOM 0 HA HIS A 76 0.339 5.734 -13.110 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.747 6.618 -14.267 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.077 7.608 -12.858 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -0.488 9.641 -12.366 1.00 0.00 H new ATOM 0 HD2 HIS A 76 0.438 7.522 -15.880 1.00 0.00 H new ATOM 0 HE1 HIS A 76 1.152 11.069 -13.706 1.00 0.00 H new ATOM 1237 N TRP A 77 -0.618 6.806 -10.225 1.00 0.00 N ATOM 1238 CA TRP A 77 -0.154 7.527 -8.992 1.00 0.00 C ATOM 1239 C TRP A 77 0.288 6.507 -7.939 1.00 0.00 C ATOM 1240 O TRP A 77 -0.296 6.373 -6.886 1.00 0.00 O ATOM 1241 CB TRP A 77 -1.302 8.377 -8.445 1.00 0.00 C ATOM 1242 CG TRP A 77 -1.324 9.711 -9.131 1.00 0.00 C ATOM 1243 CD1 TRP A 77 -1.867 9.951 -10.346 1.00 0.00 C ATOM 1244 CD2 TRP A 77 -0.783 10.983 -8.667 1.00 0.00 C ATOM 1245 NE1 TRP A 77 -1.698 11.288 -10.656 1.00 0.00 N ATOM 1246 CE2 TRP A 77 -1.036 11.966 -9.653 1.00 0.00 C ATOM 1247 CE3 TRP A 77 -0.107 11.376 -7.498 1.00 0.00 C ATOM 1248 CZ2 TRP A 77 -0.632 13.291 -9.487 1.00 0.00 C ATOM 1249 CZ3 TRP A 77 0.302 12.709 -7.327 1.00 0.00 C ATOM 1250 CH2 TRP A 77 0.040 13.664 -8.320 1.00 0.00 C ATOM 0 H TRP A 77 -1.462 6.247 -10.102 1.00 0.00 H new ATOM 0 HA TRP A 77 0.689 8.173 -9.237 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.251 7.864 -8.599 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -1.184 8.513 -7.370 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.353 9.218 -10.972 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -2.023 11.720 -11.521 1.00 0.00 H new ATOM 0 HE3 TRP A 77 0.099 10.648 -6.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -0.837 14.023 -10.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.821 13.000 -6.426 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.357 14.687 -8.183 1.00 0.00 H new ATOM 1261 N THR A 78 1.341 5.819 -8.218 1.00 0.00 N ATOM 1262 CA THR A 78 1.877 4.806 -7.268 1.00 0.00 C ATOM 1263 C THR A 78 1.925 5.427 -5.867 1.00 0.00 C ATOM 1264 O THR A 78 1.845 6.626 -5.704 1.00 0.00 O ATOM 1265 CB THR A 78 3.310 4.431 -7.739 1.00 0.00 C ATOM 1266 OG1 THR A 78 3.471 4.875 -9.070 1.00 0.00 O ATOM 1267 CG2 THR A 78 3.572 2.921 -7.721 1.00 0.00 C ATOM 0 H THR A 78 1.872 5.912 -9.084 1.00 0.00 H new ATOM 0 HA THR A 78 1.251 3.914 -7.239 1.00 0.00 H new ATOM 0 HB THR A 78 4.010 4.903 -7.049 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.087 4.277 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.589 2.724 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.448 2.542 -6.706 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.865 2.421 -8.384 1.00 0.00 H new ATOM 1275 N LEU A 79 2.067 4.626 -4.858 1.00 0.00 N ATOM 1276 CA LEU A 79 2.139 5.190 -3.482 1.00 0.00 C ATOM 1277 C LEU A 79 3.214 6.267 -3.475 1.00 0.00 C ATOM 1278 O LEU A 79 2.995 7.395 -3.081 1.00 0.00 O ATOM 1279 CB LEU A 79 2.502 4.085 -2.451 1.00 0.00 C ATOM 1280 CG LEU A 79 2.338 2.685 -3.073 1.00 0.00 C ATOM 1281 CD1 LEU A 79 3.483 2.406 -4.063 1.00 0.00 C ATOM 1282 CD2 LEU A 79 2.343 1.586 -1.972 1.00 0.00 C ATOM 0 H LEU A 79 2.136 3.610 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 79 1.170 5.605 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.529 4.220 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.862 4.176 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 79 1.383 2.662 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.356 1.414 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.468 3.153 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.437 2.454 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.226 0.606 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.287 1.620 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.519 1.761 -1.280 1.00 0.00 H new ATOM 1294 N ASP A 80 4.375 5.915 -3.918 1.00 0.00 N ATOM 1295 CA ASP A 80 5.479 6.896 -3.946 1.00 0.00 C ATOM 1296 C ASP A 80 5.039 8.127 -4.740 1.00 0.00 C ATOM 1297 O ASP A 80 5.278 9.239 -4.320 1.00 0.00 O ATOM 1298 CB ASP A 80 6.727 6.230 -4.556 1.00 0.00 C ATOM 1299 CG ASP A 80 7.581 7.240 -5.338 1.00 0.00 C ATOM 1300 OD1 ASP A 80 8.043 8.192 -4.730 1.00 0.00 O ATOM 1301 OD2 ASP A 80 7.755 7.042 -6.529 1.00 0.00 O ATOM 0 H ASP A 80 4.610 4.985 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 80 5.732 7.224 -2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.326 5.783 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.421 5.421 -5.219 1.00 0.00 H new ATOM 1306 N LYS A 81 4.392 7.950 -5.870 1.00 0.00 N ATOM 1307 CA LYS A 81 3.946 9.146 -6.657 1.00 0.00 C ATOM 1308 C LYS A 81 3.263 10.119 -5.698 1.00 0.00 C ATOM 1309 O LYS A 81 3.487 11.313 -5.728 1.00 0.00 O ATOM 1310 CB LYS A 81 2.942 8.724 -7.758 1.00 0.00 C ATOM 1311 CG LYS A 81 3.579 8.821 -9.161 1.00 0.00 C ATOM 1312 CD LYS A 81 4.472 7.582 -9.450 1.00 0.00 C ATOM 1313 CE LYS A 81 3.942 6.853 -10.686 1.00 0.00 C ATOM 1314 NZ LYS A 81 4.066 7.740 -11.878 1.00 0.00 N ATOM 0 H LYS A 81 4.157 7.044 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 81 4.808 9.613 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.608 7.702 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.059 9.361 -7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.796 8.895 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.177 9.730 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.504 7.893 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.472 6.911 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.502 5.931 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.900 6.571 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.516 7.216 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.121 8.056 -12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.648 8.567 -11.636 1.00 0.00 H new ATOM 1328 N TYR A 82 2.434 9.599 -4.848 1.00 0.00 N ATOM 1329 CA TYR A 82 1.727 10.471 -3.874 1.00 0.00 C ATOM 1330 C TYR A 82 2.737 10.922 -2.813 1.00 0.00 C ATOM 1331 O TYR A 82 2.512 11.871 -2.087 1.00 0.00 O ATOM 1332 CB TYR A 82 0.570 9.670 -3.224 1.00 0.00 C ATOM 1333 CG TYR A 82 -0.774 10.222 -3.666 1.00 0.00 C ATOM 1334 CD1 TYR A 82 -1.208 11.466 -3.192 1.00 0.00 C ATOM 1335 CD2 TYR A 82 -1.581 9.489 -4.548 1.00 0.00 C ATOM 1336 CE1 TYR A 82 -2.446 11.977 -3.600 1.00 0.00 C ATOM 1337 CE2 TYR A 82 -2.819 10.001 -4.954 1.00 0.00 C ATOM 1338 CZ TYR A 82 -3.251 11.245 -4.480 1.00 0.00 C ATOM 1339 OH TYR A 82 -4.472 11.749 -4.881 1.00 0.00 O ATOM 0 H TYR A 82 2.213 8.605 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 82 1.307 11.347 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.647 8.619 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.651 9.720 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -0.588 12.031 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.247 8.529 -4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.780 12.937 -3.235 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.441 9.436 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.902 11.116 -5.493 1.00 0.00 H new ATOM 1349 N GLY A 83 3.841 10.233 -2.711 1.00 0.00 N ATOM 1350 CA GLY A 83 4.865 10.599 -1.690 1.00 0.00 C ATOM 1351 C GLY A 83 4.537 9.832 -0.423 1.00 0.00 C ATOM 1352 O GLY A 83 4.734 10.299 0.681 1.00 0.00 O ATOM 0 H GLY A 83 4.079 9.430 -3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.865 10.348 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.853 11.673 -1.503 1.00 0.00 H new ATOM 1356 N ILE A 84 4.012 8.655 -0.591 1.00 0.00 N ATOM 1357 CA ILE A 84 3.626 7.821 0.583 1.00 0.00 C ATOM 1358 C ILE A 84 4.832 6.989 1.044 1.00 0.00 C ATOM 1359 O ILE A 84 5.640 6.544 0.253 1.00 0.00 O ATOM 1360 CB ILE A 84 2.436 6.910 0.164 1.00 0.00 C ATOM 1361 CG1 ILE A 84 1.112 7.502 0.666 1.00 0.00 C ATOM 1362 CG2 ILE A 84 2.586 5.489 0.718 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -0.055 6.808 -0.038 1.00 0.00 C ATOM 0 H ILE A 84 3.831 8.228 -1.499 1.00 0.00 H new ATOM 0 HA ILE A 84 3.317 8.448 1.419 1.00 0.00 H new ATOM 0 HB ILE A 84 2.436 6.860 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.029 7.372 1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.083 8.574 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.735 4.884 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.507 5.046 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.623 5.525 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.996 7.228 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.027 6.961 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.028 5.740 0.180 1.00 0.00 H new ATOM 1375 N GLN A 85 4.931 6.769 2.331 1.00 0.00 N ATOM 1376 CA GLN A 85 6.047 5.956 2.899 1.00 0.00 C ATOM 1377 C GLN A 85 5.448 4.854 3.769 1.00 0.00 C ATOM 1378 O GLN A 85 4.303 4.481 3.611 1.00 0.00 O ATOM 1379 CB GLN A 85 6.937 6.853 3.761 1.00 0.00 C ATOM 1380 CG GLN A 85 7.626 7.882 2.866 1.00 0.00 C ATOM 1381 CD GLN A 85 8.170 9.030 3.720 1.00 0.00 C ATOM 1382 OE1 GLN A 85 9.339 9.056 4.049 1.00 0.00 O ATOM 1383 NE2 GLN A 85 7.365 9.986 4.094 1.00 0.00 N ATOM 0 H GLN A 85 4.273 7.126 3.024 1.00 0.00 H new ATOM 0 HA GLN A 85 6.642 5.520 2.096 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.340 7.356 4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.681 6.253 4.285 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.439 7.411 2.313 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.921 8.267 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.383 9.964 3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.717 10.756 4.663 1.00 0.00 H new ATOM 1392 N ALA A 86 6.204 4.336 4.694 1.00 0.00 N ATOM 1393 CA ALA A 86 5.666 3.266 5.576 1.00 0.00 C ATOM 1394 C ALA A 86 4.828 3.910 6.682 1.00 0.00 C ATOM 1395 O ALA A 86 4.183 3.239 7.462 1.00 0.00 O ATOM 1396 CB ALA A 86 6.837 2.484 6.183 1.00 0.00 C ATOM 0 H ALA A 86 7.170 4.607 4.877 1.00 0.00 H new ATOM 0 HA ALA A 86 5.039 2.581 5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.452 1.697 6.831 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.430 2.038 5.384 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.463 3.160 6.765 1.00 0.00 H new ATOM 1402 N ASP A 87 4.835 5.212 6.749 1.00 0.00 N ATOM 1403 CA ASP A 87 4.042 5.915 7.795 1.00 0.00 C ATOM 1404 C ASP A 87 2.640 6.143 7.260 1.00 0.00 C ATOM 1405 O ASP A 87 1.832 6.838 7.843 1.00 0.00 O ATOM 1406 CB ASP A 87 4.697 7.260 8.103 1.00 0.00 C ATOM 1407 CG ASP A 87 4.102 7.845 9.385 1.00 0.00 C ATOM 1408 OD1 ASP A 87 3.419 7.117 10.085 1.00 0.00 O ATOM 1409 OD2 ASP A 87 4.340 9.013 9.645 1.00 0.00 O ATOM 0 H ASP A 87 5.358 5.822 6.121 1.00 0.00 H new ATOM 0 HA ASP A 87 4.002 5.318 8.706 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.774 7.133 8.216 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.543 7.949 7.272 1.00 0.00 H new ATOM 1414 N ALA A 88 2.361 5.558 6.139 1.00 0.00 N ATOM 1415 CA ALA A 88 1.019 5.715 5.508 1.00 0.00 C ATOM 1416 C ALA A 88 0.127 4.529 5.883 1.00 0.00 C ATOM 1417 O ALA A 88 0.378 3.406 5.504 1.00 0.00 O ATOM 1418 CB ALA A 88 1.187 5.762 3.990 1.00 0.00 C ATOM 0 H ALA A 88 3.011 4.968 5.620 1.00 0.00 H new ATOM 0 HA ALA A 88 0.556 6.636 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.211 5.877 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.821 6.606 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.649 4.837 3.646 1.00 0.00 H new ATOM 1424 N LYS A 89 -0.924 4.775 6.618 1.00 0.00 N ATOM 1425 CA LYS A 89 -1.848 3.670 7.012 1.00 0.00 C ATOM 1426 C LYS A 89 -3.009 3.650 6.016 1.00 0.00 C ATOM 1427 O LYS A 89 -3.816 4.557 5.977 1.00 0.00 O ATOM 1428 CB LYS A 89 -2.379 3.929 8.435 1.00 0.00 C ATOM 1429 CG LYS A 89 -1.417 3.339 9.479 1.00 0.00 C ATOM 1430 CD LYS A 89 -0.028 3.978 9.351 1.00 0.00 C ATOM 1431 CE LYS A 89 -0.120 5.492 9.559 1.00 0.00 C ATOM 1432 NZ LYS A 89 -1.095 5.795 10.645 1.00 0.00 N ATOM 0 H LYS A 89 -1.184 5.698 6.965 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.329 2.712 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.492 5.001 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.367 3.484 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.811 3.508 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.341 2.260 9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.649 3.543 10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.389 3.764 8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.860 5.893 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.430 5.977 8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.874 6.722 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.058 5.812 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.034 5.062 11.381 1.00 0.00 H new ATOM 1446 N LEU A 90 -3.096 2.635 5.196 1.00 0.00 N ATOM 1447 CA LEU A 90 -4.194 2.580 4.198 1.00 0.00 C ATOM 1448 C LEU A 90 -5.409 1.883 4.781 1.00 0.00 C ATOM 1449 O LEU A 90 -5.382 1.317 5.856 1.00 0.00 O ATOM 1450 CB LEU A 90 -3.715 1.822 2.964 1.00 0.00 C ATOM 1451 CG LEU A 90 -2.490 2.533 2.381 1.00 0.00 C ATOM 1452 CD1 LEU A 90 -1.926 1.706 1.222 1.00 0.00 C ATOM 1453 CD2 LEU A 90 -2.881 3.937 1.879 1.00 0.00 C ATOM 0 H LEU A 90 -2.452 1.844 5.178 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.474 3.597 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.463 0.795 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.511 1.774 2.220 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.732 2.636 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.054 2.210 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.636 0.720 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.686 1.598 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.003 4.434 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.644 3.847 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.273 4.524 2.709 1.00 0.00 H new ATOM 1465 N GLN A 91 -6.476 1.931 4.048 1.00 0.00 N ATOM 1466 CA GLN A 91 -7.743 1.297 4.455 1.00 0.00 C ATOM 1467 C GLN A 91 -8.292 0.582 3.230 1.00 0.00 C ATOM 1468 O GLN A 91 -7.795 0.741 2.144 1.00 0.00 O ATOM 1469 CB GLN A 91 -8.770 2.319 4.955 1.00 0.00 C ATOM 1470 CG GLN A 91 -8.086 3.397 5.812 1.00 0.00 C ATOM 1471 CD GLN A 91 -8.986 4.626 5.893 1.00 0.00 C ATOM 1472 OE1 GLN A 91 -8.666 5.666 5.354 1.00 0.00 O ATOM 1473 NE2 GLN A 91 -10.106 4.549 6.547 1.00 0.00 N ATOM 0 H GLN A 91 -6.519 2.405 3.146 1.00 0.00 H new ATOM 0 HA GLN A 91 -7.555 0.611 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.271 2.785 4.106 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.538 1.814 5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.888 3.011 6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.123 3.666 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -10.373 3.675 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -10.718 5.363 6.608 1.00 0.00 H new ATOM 1482 N PHE A 92 -9.316 -0.175 3.410 1.00 0.00 N ATOM 1483 CA PHE A 92 -9.979 -0.905 2.300 1.00 0.00 C ATOM 1484 C PHE A 92 -11.425 -0.464 2.367 1.00 0.00 C ATOM 1485 O PHE A 92 -11.936 -0.170 3.422 1.00 0.00 O ATOM 1486 CB PHE A 92 -9.900 -2.434 2.516 1.00 0.00 C ATOM 1487 CG PHE A 92 -9.709 -3.233 1.227 1.00 0.00 C ATOM 1488 CD1 PHE A 92 -10.122 -2.755 -0.031 1.00 0.00 C ATOM 1489 CD2 PHE A 92 -9.121 -4.499 1.317 1.00 0.00 C ATOM 1490 CE1 PHE A 92 -9.938 -3.541 -1.175 1.00 0.00 C ATOM 1491 CE2 PHE A 92 -8.941 -5.280 0.171 1.00 0.00 C ATOM 1492 CZ PHE A 92 -9.349 -4.802 -1.074 1.00 0.00 C ATOM 0 H PHE A 92 -9.746 -0.330 4.322 1.00 0.00 H new ATOM 0 HA PHE A 92 -9.507 -0.693 1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -9.075 -2.653 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -10.813 -2.769 3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.581 -1.781 -0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.804 -4.876 2.278 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.253 -3.170 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.485 -6.256 0.250 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.209 -5.406 -1.958 1.00 0.00 H new ATOM 1502 N THR A 93 -12.078 -0.393 1.282 1.00 0.00 N ATOM 1503 CA THR A 93 -13.508 0.031 1.322 1.00 0.00 C ATOM 1504 C THR A 93 -14.201 -0.303 -0.007 1.00 0.00 C ATOM 1505 O THR A 93 -13.576 -0.292 -1.049 1.00 0.00 O ATOM 1506 CB THR A 93 -13.563 1.525 1.608 1.00 0.00 C ATOM 1507 OG1 THR A 93 -14.850 2.036 1.319 1.00 0.00 O ATOM 1508 CG2 THR A 93 -12.540 2.233 0.738 1.00 0.00 C ATOM 0 H THR A 93 -11.706 -0.605 0.356 1.00 0.00 H new ATOM 0 HA THR A 93 -14.035 -0.506 2.110 1.00 0.00 H new ATOM 0 HB THR A 93 -13.345 1.693 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 93 -14.871 2.997 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 93 -12.573 3.304 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 93 -11.544 1.852 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 93 -12.768 2.052 -0.312 1.00 0.00 H new ATOM 1516 N PRO A 94 -15.484 -0.596 0.018 1.00 0.00 N ATOM 1517 CA PRO A 94 -16.245 -0.930 -1.222 1.00 0.00 C ATOM 1518 C PRO A 94 -16.432 0.297 -2.125 1.00 0.00 C ATOM 1519 O PRO A 94 -15.824 0.328 -3.182 1.00 0.00 O ATOM 1520 CB PRO A 94 -17.597 -1.441 -0.695 1.00 0.00 C ATOM 1521 CG PRO A 94 -17.760 -0.781 0.636 1.00 0.00 C ATOM 1522 CD PRO A 94 -16.350 -0.646 1.215 1.00 0.00 C ATOM 0 HA PRO A 94 -15.725 -1.661 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.411 -1.177 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -17.601 -2.527 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -18.234 0.195 0.532 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -18.396 -1.376 1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.250 0.255 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -16.098 -1.490 1.857 1.00 0.00 H new TER 1530 PRO A 94