USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 654 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 87 THR OG1 : rot 113:sc= -1.26! USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.817 K(o=-0.44,f=-6.8!) USER MOD Set 2.1: A 53 THR OG1 : rot 79:sc= 1.29 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.03 USER MOD Set 3.1: A 37 CYS SG : rot -120:sc= 2.18 USER MOD Set 3.2: A 42 CYS SG : rot 82:sc= 1.06 USER MOD Set 3.3: A 45 CYS SG : rot 180:sc= 0.702 USER MOD Set 3.4: A 75 CYS SG : rot 40:sc= -0.934 USER MOD Set 4.1: A 4 THR OG1 : rot -63:sc= 0.0368 USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -178:sc= 0.465 (180deg=0.449) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0072 (180deg=-0.13) USER MOD Single : A 7 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -75:sc= -5.11! USER MOD Single : A 20 THR OG1 : rot 34:sc= 0.774 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -129:sc= 1.24 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= 0.648 (180deg=-0.328) USER MOD Single : A 56 GLN : amide:sc= -8.29! C(o=-8.3!,f=-5.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -9.62! C(o=-9.6!,f=-8.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 67 MET CE :methyl -157:sc= -0.148 (180deg=-0.8) USER MOD Single : A 69 ASN : amide:sc= -0.0947 K(o=-0.095,f=-1.4!) USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.495 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00994 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.19! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 86 GLN : amide:sc= -2.34 K(o=-2.3,f=-0.087) USER MOD Single : A 89 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.2) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.417 3.719 7.745 1.00 0.00 N ATOM 2 CA MET A 0 -13.223 3.594 6.922 1.00 0.00 C ATOM 3 C MET A 0 -12.570 4.944 6.690 1.00 0.00 C ATOM 4 O MET A 0 -13.078 5.979 7.125 1.00 0.00 O ATOM 5 CB MET A 0 -13.544 2.942 5.578 1.00 0.00 C ATOM 6 CG MET A 0 -14.969 3.128 5.123 1.00 0.00 C ATOM 7 SD MET A 0 -15.440 4.858 4.946 1.00 0.00 S ATOM 8 CE MET A 0 -17.167 4.681 4.512 1.00 0.00 C ATOM 0 H1 MET A 0 -14.822 2.776 7.914 1.00 0.00 H new ATOM 0 H2 MET A 0 -14.167 4.157 8.655 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.116 4.313 7.255 1.00 0.00 H new ATOM 0 HA MET A 0 -12.526 2.956 7.465 1.00 0.00 H new ATOM 0 HB2 MET A 0 -12.876 3.352 4.820 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.333 1.875 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.107 2.621 4.168 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.637 2.648 5.838 1.00 0.00 H new ATOM 0 HE1 MET A 0 -17.609 5.667 4.367 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.253 4.106 3.590 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.692 4.163 5.314 1.00 0.00 H new ATOM 18 N TYR A 1 -11.434 4.919 6.018 1.00 0.00 N ATOM 19 CA TYR A 1 -10.709 6.130 5.693 1.00 0.00 C ATOM 20 C TYR A 1 -10.640 6.298 4.186 1.00 0.00 C ATOM 21 O TYR A 1 -10.656 5.312 3.442 1.00 0.00 O ATOM 22 CB TYR A 1 -9.290 6.075 6.259 1.00 0.00 C ATOM 23 CG TYR A 1 -9.221 5.824 7.749 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.327 4.537 8.272 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.039 6.877 8.634 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.248 4.317 9.633 1.00 0.00 C ATOM 27 CE2 TYR A 1 -8.962 6.661 9.996 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.063 5.381 10.488 1.00 0.00 C ATOM 29 OH TYR A 1 -8.990 5.161 11.844 1.00 0.00 O ATOM 0 H TYR A 1 -10.991 4.063 5.684 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.235 6.976 6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.737 5.289 5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.787 7.016 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.473 3.701 7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.956 7.883 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.331 3.314 10.026 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.823 7.493 10.671 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.857 6.014 12.307 1.00 0.00 H new ATOM 39 N LYS A 2 -10.561 7.540 3.741 1.00 0.00 N ATOM 40 CA LYS A 2 -10.464 7.836 2.324 1.00 0.00 C ATOM 41 C LYS A 2 -9.014 7.789 1.883 1.00 0.00 C ATOM 42 O LYS A 2 -8.206 8.645 2.247 1.00 0.00 O ATOM 43 CB LYS A 2 -11.075 9.209 2.021 1.00 0.00 C ATOM 44 CG LYS A 2 -10.826 9.698 0.611 1.00 0.00 C ATOM 45 CD LYS A 2 -11.293 11.131 0.417 1.00 0.00 C ATOM 46 CE LYS A 2 -10.411 12.113 1.172 1.00 0.00 C ATOM 47 NZ LYS A 2 -10.826 13.523 0.954 1.00 0.00 N ATOM 0 H LYS A 2 -10.562 8.362 4.344 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.023 7.084 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.150 9.162 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.671 9.938 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.762 9.629 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.344 9.049 -0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.286 11.376 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.323 11.228 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.447 11.886 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.376 11.987 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.197 14.156 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.767 13.750 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.805 13.651 1.281 1.00 0.00 H new ATOM 61 N VAL A 3 -8.686 6.768 1.118 1.00 0.00 N ATOM 62 CA VAL A 3 -7.348 6.595 0.613 1.00 0.00 C ATOM 63 C VAL A 3 -7.348 6.683 -0.907 1.00 0.00 C ATOM 64 O VAL A 3 -8.076 5.962 -1.592 1.00 0.00 O ATOM 65 CB VAL A 3 -6.726 5.262 1.113 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.778 4.398 1.792 1.00 0.00 C ATOM 67 CG2 VAL A 3 -6.032 4.490 -0.001 1.00 0.00 C ATOM 0 H VAL A 3 -9.340 6.039 0.832 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.722 7.400 0.999 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.960 5.523 1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.321 3.470 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.194 4.934 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.574 4.170 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.615 3.567 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.753 4.252 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.230 5.098 -0.420 1.00 0.00 H new ATOM 77 N THR A 4 -6.563 7.608 -1.418 1.00 0.00 N ATOM 78 CA THR A 4 -6.421 7.794 -2.845 1.00 0.00 C ATOM 79 C THR A 4 -5.284 6.934 -3.358 1.00 0.00 C ATOM 80 O THR A 4 -4.118 7.247 -3.149 1.00 0.00 O ATOM 81 CB THR A 4 -6.136 9.266 -3.179 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.182 10.097 -2.653 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.013 9.474 -4.683 1.00 0.00 C ATOM 0 H THR A 4 -6.006 8.251 -0.856 1.00 0.00 H new ATOM 0 HA THR A 4 -7.355 7.502 -3.325 1.00 0.00 H new ATOM 0 HB THR A 4 -5.187 9.543 -2.719 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.030 9.869 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.811 10.525 -4.890 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.196 8.865 -5.069 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.944 9.181 -5.168 1.00 0.00 H new ATOM 91 N LEU A 5 -5.609 5.846 -4.015 1.00 0.00 N ATOM 92 CA LEU A 5 -4.591 4.952 -4.483 1.00 0.00 C ATOM 93 C LEU A 5 -4.079 5.399 -5.826 1.00 0.00 C ATOM 94 O LEU A 5 -4.844 5.602 -6.766 1.00 0.00 O ATOM 95 CB LEU A 5 -5.096 3.521 -4.531 1.00 0.00 C ATOM 96 CG LEU A 5 -4.917 2.769 -3.212 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.108 1.886 -2.942 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.649 1.934 -3.239 1.00 0.00 C ATOM 0 H LEU A 5 -6.565 5.565 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.761 4.978 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.153 3.525 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.570 2.984 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.834 3.504 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.963 1.358 -1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.008 2.498 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.215 1.162 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.540 1.407 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.707 1.210 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.788 2.585 -3.393 1.00 0.00 H new ATOM 110 N LYS A 6 -2.780 5.551 -5.904 1.00 0.00 N ATOM 111 CA LYS A 6 -2.140 5.954 -7.111 1.00 0.00 C ATOM 112 C LYS A 6 -1.704 4.727 -7.874 1.00 0.00 C ATOM 113 O LYS A 6 -0.783 4.007 -7.475 1.00 0.00 O ATOM 114 CB LYS A 6 -0.928 6.801 -6.770 1.00 0.00 C ATOM 115 CG LYS A 6 -0.920 8.129 -7.464 1.00 0.00 C ATOM 116 CD LYS A 6 -1.665 9.179 -6.666 1.00 0.00 C ATOM 117 CE LYS A 6 -0.714 10.007 -5.827 1.00 0.00 C ATOM 118 NZ LYS A 6 0.096 10.941 -6.655 1.00 0.00 N ATOM 0 H LYS A 6 -2.143 5.396 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.830 6.535 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.897 6.962 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.024 6.254 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.109 8.452 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.376 8.028 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.217 9.830 -7.343 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.398 8.696 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.282 10.576 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.049 9.344 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.497 11.684 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.867 10.417 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.509 11.376 -7.380 1.00 0.00 H new ATOM 132 N THR A 7 -2.407 4.472 -8.951 1.00 0.00 N ATOM 133 CA THR A 7 -2.095 3.366 -9.815 1.00 0.00 C ATOM 134 C THR A 7 -1.418 3.899 -11.061 1.00 0.00 C ATOM 135 O THR A 7 -1.545 5.088 -11.363 1.00 0.00 O ATOM 136 CB THR A 7 -3.362 2.563 -10.198 1.00 0.00 C ATOM 137 OG1 THR A 7 -4.149 3.282 -11.154 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.215 2.286 -8.970 1.00 0.00 C ATOM 0 H THR A 7 -3.210 5.026 -9.250 1.00 0.00 H new ATOM 0 HA THR A 7 -1.430 2.685 -9.285 1.00 0.00 H new ATOM 0 HB THR A 7 -3.033 1.619 -10.634 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.585 4.041 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.100 1.721 -9.262 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.637 1.708 -8.248 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.520 3.230 -8.518 1.00 0.00 H new ATOM 146 N PRO A 8 -0.669 3.063 -11.774 1.00 0.00 N ATOM 147 CA PRO A 8 0.036 3.485 -12.986 1.00 0.00 C ATOM 148 C PRO A 8 -0.880 4.220 -13.975 1.00 0.00 C ATOM 149 O PRO A 8 -0.466 5.188 -14.619 1.00 0.00 O ATOM 150 CB PRO A 8 0.545 2.170 -13.564 1.00 0.00 C ATOM 151 CG PRO A 8 0.663 1.255 -12.387 1.00 0.00 C ATOM 152 CD PRO A 8 -0.428 1.652 -11.443 1.00 0.00 C ATOM 0 HA PRO A 8 0.830 4.202 -12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.145 1.771 -14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.506 2.302 -14.060 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.556 0.214 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.641 1.351 -11.915 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.323 1.047 -11.587 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.124 1.530 -10.403 1.00 0.00 H new ATOM 160 N SER A 9 -2.138 3.795 -14.050 1.00 0.00 N ATOM 161 CA SER A 9 -3.102 4.415 -14.944 1.00 0.00 C ATOM 162 C SER A 9 -3.687 5.703 -14.349 1.00 0.00 C ATOM 163 O SER A 9 -4.062 6.615 -15.086 1.00 0.00 O ATOM 164 CB SER A 9 -4.215 3.421 -15.262 1.00 0.00 C ATOM 165 OG SER A 9 -3.686 2.228 -15.825 1.00 0.00 O ATOM 0 H SER A 9 -2.511 3.022 -13.500 1.00 0.00 H new ATOM 0 HA SER A 9 -2.584 4.691 -15.863 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.767 3.185 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.923 3.872 -15.957 1.00 0.00 H new ATOM 0 HG SER A 9 -4.418 1.605 -16.019 1.00 0.00 H new ATOM 171 N GLY A 10 -3.766 5.780 -13.024 1.00 0.00 N ATOM 172 CA GLY A 10 -4.296 6.975 -12.388 1.00 0.00 C ATOM 173 C GLY A 10 -4.602 6.775 -10.916 1.00 0.00 C ATOM 174 O GLY A 10 -4.462 5.676 -10.388 1.00 0.00 O ATOM 0 H GLY A 10 -3.475 5.042 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.578 7.787 -12.497 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.205 7.282 -12.904 1.00 0.00 H new ATOM 178 N ASP A 11 -5.004 7.839 -10.241 1.00 0.00 N ATOM 179 CA ASP A 11 -5.359 7.758 -8.829 1.00 0.00 C ATOM 180 C ASP A 11 -6.856 7.545 -8.654 1.00 0.00 C ATOM 181 O ASP A 11 -7.673 8.123 -9.373 1.00 0.00 O ATOM 182 CB ASP A 11 -4.905 9.012 -8.073 1.00 0.00 C ATOM 183 CG ASP A 11 -5.531 10.293 -8.591 1.00 0.00 C ATOM 184 OD1 ASP A 11 -6.649 10.635 -8.161 1.00 0.00 O ATOM 185 OD2 ASP A 11 -4.895 10.976 -9.421 1.00 0.00 O ATOM 0 H ASP A 11 -5.094 8.771 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.839 6.898 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.151 8.898 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.820 9.094 -8.141 1.00 0.00 H new ATOM 190 N LYS A 12 -7.200 6.692 -7.705 1.00 0.00 N ATOM 191 CA LYS A 12 -8.586 6.373 -7.409 1.00 0.00 C ATOM 192 C LYS A 12 -8.792 6.337 -5.907 1.00 0.00 C ATOM 193 O LYS A 12 -8.009 5.733 -5.179 1.00 0.00 O ATOM 194 CB LYS A 12 -8.954 5.016 -7.999 1.00 0.00 C ATOM 195 CG LYS A 12 -10.428 4.638 -7.848 1.00 0.00 C ATOM 196 CD LYS A 12 -11.316 5.443 -8.783 1.00 0.00 C ATOM 197 CE LYS A 12 -11.065 5.083 -10.239 1.00 0.00 C ATOM 198 NZ LYS A 12 -11.925 5.872 -11.158 1.00 0.00 N ATOM 0 H LYS A 12 -6.526 6.201 -7.118 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.223 7.139 -7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.698 5.013 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.344 4.249 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.553 3.575 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.742 4.803 -6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.363 5.262 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.133 6.507 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.017 5.259 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.253 4.020 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.725 5.598 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.925 5.685 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.728 6.886 -11.034 1.00 0.00 H new ATOM 212 N THR A 13 -9.838 6.981 -5.453 1.00 0.00 N ATOM 213 CA THR A 13 -10.143 7.023 -4.040 1.00 0.00 C ATOM 214 C THR A 13 -10.965 5.827 -3.616 1.00 0.00 C ATOM 215 O THR A 13 -12.020 5.539 -4.184 1.00 0.00 O ATOM 216 CB THR A 13 -10.895 8.304 -3.686 1.00 0.00 C ATOM 217 OG1 THR A 13 -10.087 9.441 -4.015 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.262 8.329 -2.208 1.00 0.00 C ATOM 0 H THR A 13 -10.498 7.487 -6.044 1.00 0.00 H new ATOM 0 HA THR A 13 -9.193 7.001 -3.505 1.00 0.00 H new ATOM 0 HB THR A 13 -11.819 8.337 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.571 10.263 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.797 9.251 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.898 7.475 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.354 8.279 -1.607 1.00 0.00 H new ATOM 226 N ILE A 14 -10.457 5.132 -2.625 1.00 0.00 N ATOM 227 CA ILE A 14 -11.136 4.014 -2.044 1.00 0.00 C ATOM 228 C ILE A 14 -11.464 4.323 -0.589 1.00 0.00 C ATOM 229 O ILE A 14 -10.932 5.278 -0.017 1.00 0.00 O ATOM 230 CB ILE A 14 -10.254 2.758 -2.101 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.079 2.891 -1.148 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.733 2.539 -3.494 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.567 1.568 -0.625 1.00 0.00 C ATOM 0 H ILE A 14 -9.552 5.335 -2.201 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.052 3.831 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.867 1.906 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.266 3.409 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.376 3.515 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.110 1.644 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.571 2.413 -4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.140 3.401 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.728 1.743 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.365 1.056 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.238 0.949 -1.460 1.00 0.00 H new ATOM 245 N GLU A 15 -12.323 3.520 0.004 1.00 0.00 N ATOM 246 CA GLU A 15 -12.646 3.664 1.411 1.00 0.00 C ATOM 247 C GLU A 15 -12.329 2.366 2.126 1.00 0.00 C ATOM 248 O GLU A 15 -13.115 1.419 2.105 1.00 0.00 O ATOM 249 CB GLU A 15 -14.117 4.047 1.580 1.00 0.00 C ATOM 250 CG GLU A 15 -14.456 5.395 0.963 1.00 0.00 C ATOM 251 CD GLU A 15 -15.936 5.701 0.992 1.00 0.00 C ATOM 252 OE1 GLU A 15 -16.675 5.146 0.150 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.369 6.505 1.851 1.00 0.00 O ATOM 0 H GLU A 15 -12.812 2.759 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.047 4.462 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.741 3.278 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.361 4.068 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.918 6.178 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.106 5.414 -0.069 1.00 0.00 H new ATOM 260 N CYS A 16 -11.171 2.325 2.760 1.00 0.00 N ATOM 261 CA CYS A 16 -10.707 1.107 3.386 1.00 0.00 C ATOM 262 C CYS A 16 -10.923 1.164 4.888 1.00 0.00 C ATOM 263 O CYS A 16 -10.432 2.072 5.563 1.00 0.00 O ATOM 264 CB CYS A 16 -9.236 0.871 3.076 1.00 0.00 C ATOM 265 SG CYS A 16 -8.807 -0.873 3.013 1.00 0.00 S ATOM 0 H CYS A 16 -10.539 3.120 2.853 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.285 0.276 2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.992 1.335 2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.626 1.363 3.834 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.763 -1.353 4.220 1.00 0.00 H new ATOM 271 N PRO A 17 -11.708 0.213 5.415 1.00 0.00 N ATOM 272 CA PRO A 17 -12.005 0.122 6.845 1.00 0.00 C ATOM 273 C PRO A 17 -10.757 -0.038 7.702 1.00 0.00 C ATOM 274 O PRO A 17 -9.709 -0.481 7.231 1.00 0.00 O ATOM 275 CB PRO A 17 -12.870 -1.133 6.954 1.00 0.00 C ATOM 276 CG PRO A 17 -13.447 -1.322 5.598 1.00 0.00 C ATOM 277 CD PRO A 17 -12.398 -0.836 4.644 1.00 0.00 C ATOM 0 HA PRO A 17 -12.486 1.031 7.206 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.276 -1.997 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.653 -1.009 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.687 -2.370 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.373 -0.758 5.484 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.717 -1.635 4.351 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.838 -0.441 3.728 1.00 0.00 H new ATOM 285 N ALA A 18 -10.908 0.275 8.981 1.00 0.00 N ATOM 286 CA ALA A 18 -9.800 0.285 9.928 1.00 0.00 C ATOM 287 C ALA A 18 -9.408 -1.125 10.371 1.00 0.00 C ATOM 288 O ALA A 18 -8.625 -1.293 11.307 1.00 0.00 O ATOM 289 CB ALA A 18 -10.161 1.139 11.132 1.00 0.00 C ATOM 0 H ALA A 18 -11.805 0.530 9.393 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.934 0.714 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.330 1.144 11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.366 2.159 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.046 0.728 11.617 1.00 0.00 H new ATOM 295 N ASP A 19 -9.983 -2.131 9.724 1.00 0.00 N ATOM 296 CA ASP A 19 -9.646 -3.526 10.006 1.00 0.00 C ATOM 297 C ASP A 19 -9.387 -4.301 8.720 1.00 0.00 C ATOM 298 O ASP A 19 -8.890 -5.427 8.753 1.00 0.00 O ATOM 299 CB ASP A 19 -10.775 -4.211 10.776 1.00 0.00 C ATOM 300 CG ASP A 19 -12.058 -4.295 9.968 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.171 -5.187 9.102 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.962 -3.463 10.192 1.00 0.00 O ATOM 0 H ASP A 19 -10.688 -2.009 8.997 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.739 -3.523 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.461 -5.216 11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.965 -3.664 11.699 1.00 0.00 H new ATOM 307 N THR A 20 -9.707 -3.688 7.596 1.00 0.00 N ATOM 308 CA THR A 20 -9.668 -4.357 6.314 1.00 0.00 C ATOM 309 C THR A 20 -8.531 -3.802 5.472 1.00 0.00 C ATOM 310 O THR A 20 -8.443 -2.594 5.282 1.00 0.00 O ATOM 311 CB THR A 20 -11.012 -4.164 5.587 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.053 -4.867 6.281 1.00 0.00 O ATOM 313 CG2 THR A 20 -10.940 -4.635 4.146 1.00 0.00 C ATOM 0 H THR A 20 -10.001 -2.712 7.548 1.00 0.00 H new ATOM 0 HA THR A 20 -9.499 -5.422 6.470 1.00 0.00 H new ATOM 0 HB THR A 20 -11.236 -3.097 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.877 -4.845 7.245 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.906 -4.483 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.177 -4.066 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.685 -5.694 4.122 1.00 0.00 H new ATOM 321 N TYR A 21 -7.670 -4.684 4.969 1.00 0.00 N ATOM 322 CA TYR A 21 -6.459 -4.262 4.272 1.00 0.00 C ATOM 323 C TYR A 21 -6.803 -3.574 2.955 1.00 0.00 C ATOM 324 O TYR A 21 -7.760 -3.969 2.283 1.00 0.00 O ATOM 325 CB TYR A 21 -5.541 -5.450 4.003 1.00 0.00 C ATOM 326 CG TYR A 21 -5.400 -6.417 5.156 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.550 -6.150 6.221 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.109 -7.607 5.166 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.412 -7.046 7.265 1.00 0.00 C ATOM 330 CE2 TYR A 21 -5.981 -8.506 6.205 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.131 -8.223 7.252 1.00 0.00 C ATOM 332 OH TYR A 21 -4.997 -9.122 8.285 1.00 0.00 O ATOM 0 H TYR A 21 -7.789 -5.695 5.032 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.939 -3.554 4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.918 -5.993 3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.552 -5.075 3.739 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.988 -5.228 6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.774 -7.835 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.745 -6.826 8.086 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.545 -9.427 6.198 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.574 -9.897 8.121 1.00 0.00 H new ATOM 342 N ILE A 22 -6.018 -2.550 2.606 1.00 0.00 N ATOM 343 CA ILE A 22 -6.306 -1.667 1.465 1.00 0.00 C ATOM 344 C ILE A 22 -6.764 -2.431 0.227 1.00 0.00 C ATOM 345 O ILE A 22 -7.718 -2.019 -0.418 1.00 0.00 O ATOM 346 CB ILE A 22 -5.075 -0.793 1.122 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.890 0.263 2.213 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.249 -0.129 -0.237 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.445 0.564 2.572 1.00 0.00 C ATOM 0 H ILE A 22 -5.163 -2.307 3.106 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.132 -1.025 1.773 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.188 -1.425 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.369 1.187 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.411 -0.068 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.373 0.481 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.362 -0.895 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.137 0.503 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.415 1.324 3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.962 -0.345 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.920 0.930 1.690 1.00 0.00 H new ATOM 361 N LEU A 23 -6.123 -3.565 -0.061 1.00 0.00 N ATOM 362 CA LEU A 23 -6.376 -4.317 -1.297 1.00 0.00 C ATOM 363 C LEU A 23 -7.857 -4.611 -1.557 1.00 0.00 C ATOM 364 O LEU A 23 -8.270 -4.692 -2.710 1.00 0.00 O ATOM 365 CB LEU A 23 -5.578 -5.629 -1.339 1.00 0.00 C ATOM 366 CG LEU A 23 -5.398 -6.386 -0.009 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.725 -6.781 0.614 1.00 0.00 C ATOM 368 CD2 LEU A 23 -4.556 -7.623 -0.233 1.00 0.00 C ATOM 0 H LEU A 23 -5.421 -3.987 0.547 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.036 -3.656 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.067 -6.299 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.588 -5.410 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.897 -5.710 0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.544 -7.312 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.314 -5.886 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.270 -7.430 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.432 -8.154 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.051 -8.274 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.578 -7.333 -0.617 1.00 0.00 H new ATOM 380 N ASP A 24 -8.654 -4.755 -0.505 1.00 0.00 N ATOM 381 CA ASP A 24 -10.060 -5.130 -0.662 1.00 0.00 C ATOM 382 C ASP A 24 -10.847 -3.970 -1.258 1.00 0.00 C ATOM 383 O ASP A 24 -11.596 -4.130 -2.222 1.00 0.00 O ATOM 384 CB ASP A 24 -10.651 -5.536 0.684 1.00 0.00 C ATOM 385 CG ASP A 24 -11.992 -6.229 0.551 1.00 0.00 C ATOM 386 OD1 ASP A 24 -13.029 -5.534 0.522 1.00 0.00 O ATOM 387 OD2 ASP A 24 -12.013 -7.479 0.489 1.00 0.00 O ATOM 0 H ASP A 24 -8.356 -4.620 0.461 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.124 -5.981 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.954 -6.199 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.765 -4.649 1.308 1.00 0.00 H new ATOM 392 N ALA A 25 -10.657 -2.804 -0.674 1.00 0.00 N ATOM 393 CA ALA A 25 -11.242 -1.571 -1.180 1.00 0.00 C ATOM 394 C ALA A 25 -10.530 -1.140 -2.456 1.00 0.00 C ATOM 395 O ALA A 25 -11.116 -0.512 -3.336 1.00 0.00 O ATOM 396 CB ALA A 25 -11.160 -0.502 -0.108 1.00 0.00 C ATOM 0 H ALA A 25 -10.092 -2.681 0.166 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.292 -1.731 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.597 0.423 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.707 -0.830 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.116 -0.330 0.155 1.00 0.00 H new ATOM 402 N ALA A 26 -9.259 -1.495 -2.539 1.00 0.00 N ATOM 403 CA ALA A 26 -8.437 -1.201 -3.698 1.00 0.00 C ATOM 404 C ALA A 26 -9.012 -1.851 -4.957 1.00 0.00 C ATOM 405 O ALA A 26 -9.233 -1.184 -5.967 1.00 0.00 O ATOM 406 CB ALA A 26 -7.020 -1.677 -3.461 1.00 0.00 C ATOM 0 H ALA A 26 -8.767 -1.998 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.430 -0.122 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.410 -1.452 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.606 -1.169 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.022 -2.753 -3.286 1.00 0.00 H new ATOM 412 N GLU A 27 -9.270 -3.156 -4.888 1.00 0.00 N ATOM 413 CA GLU A 27 -9.826 -3.877 -6.018 1.00 0.00 C ATOM 414 C GLU A 27 -11.262 -3.434 -6.266 1.00 0.00 C ATOM 415 O GLU A 27 -11.733 -3.427 -7.402 1.00 0.00 O ATOM 416 CB GLU A 27 -9.760 -5.386 -5.784 1.00 0.00 C ATOM 417 CG GLU A 27 -10.445 -5.855 -4.512 1.00 0.00 C ATOM 418 CD GLU A 27 -11.252 -7.118 -4.724 1.00 0.00 C ATOM 419 OE1 GLU A 27 -12.407 -7.017 -5.193 1.00 0.00 O ATOM 420 OE2 GLU A 27 -10.740 -8.215 -4.431 1.00 0.00 O ATOM 0 H GLU A 27 -9.101 -3.729 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.232 -3.647 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.214 -5.893 -6.635 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.714 -5.691 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.694 -6.032 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.100 -5.066 -4.143 1.00 0.00 H new ATOM 427 N GLU A 28 -11.946 -3.064 -5.188 1.00 0.00 N ATOM 428 CA GLU A 28 -13.296 -2.520 -5.270 1.00 0.00 C ATOM 429 C GLU A 28 -13.309 -1.303 -6.171 1.00 0.00 C ATOM 430 O GLU A 28 -14.179 -1.137 -7.027 1.00 0.00 O ATOM 431 CB GLU A 28 -13.755 -2.090 -3.888 1.00 0.00 C ATOM 432 CG GLU A 28 -15.260 -2.033 -3.736 1.00 0.00 C ATOM 433 CD GLU A 28 -15.685 -1.470 -2.401 1.00 0.00 C ATOM 434 OE1 GLU A 28 -15.838 -2.252 -1.440 1.00 0.00 O ATOM 435 OE2 GLU A 28 -15.874 -0.239 -2.309 1.00 0.00 O ATOM 0 H GLU A 28 -11.582 -3.132 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.958 -3.288 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.350 -2.782 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.339 -1.107 -3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.680 -1.422 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.672 -3.035 -3.852 1.00 0.00 H new ATOM 442 N ALA A 29 -12.325 -0.458 -5.947 1.00 0.00 N ATOM 443 CA ALA A 29 -12.141 0.760 -6.728 1.00 0.00 C ATOM 444 C ALA A 29 -11.828 0.457 -8.190 1.00 0.00 C ATOM 445 O ALA A 29 -12.112 1.266 -9.074 1.00 0.00 O ATOM 446 CB ALA A 29 -11.034 1.580 -6.118 1.00 0.00 C ATOM 0 H ALA A 29 -11.625 -0.591 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.075 1.322 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.894 2.491 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.297 1.840 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.110 1.002 -6.120 1.00 0.00 H new ATOM 452 N GLY A 30 -11.241 -0.704 -8.444 1.00 0.00 N ATOM 453 CA GLY A 30 -11.010 -1.123 -9.812 1.00 0.00 C ATOM 454 C GLY A 30 -9.550 -1.099 -10.199 1.00 0.00 C ATOM 455 O GLY A 30 -9.216 -1.129 -11.384 1.00 0.00 O ATOM 0 H GLY A 30 -10.922 -1.360 -7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.399 -2.132 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.569 -0.472 -10.485 1.00 0.00 H new ATOM 459 N LEU A 31 -8.678 -1.047 -9.209 1.00 0.00 N ATOM 460 CA LEU A 31 -7.253 -0.949 -9.466 1.00 0.00 C ATOM 461 C LEU A 31 -6.693 -2.290 -9.908 1.00 0.00 C ATOM 462 O LEU A 31 -7.180 -3.343 -9.492 1.00 0.00 O ATOM 463 CB LEU A 31 -6.521 -0.501 -8.207 1.00 0.00 C ATOM 464 CG LEU A 31 -7.262 0.509 -7.336 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.406 0.880 -6.153 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.656 1.752 -8.113 1.00 0.00 C ATOM 0 H LEU A 31 -8.931 -1.071 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.105 -0.217 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.301 -1.382 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.564 -0.068 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.184 0.041 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.937 1.602 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.189 -0.013 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.472 1.320 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.181 2.443 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.761 2.235 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.310 1.473 -8.939 1.00 0.00 H new ATOM 478 N ASP A 32 -5.656 -2.247 -10.730 1.00 0.00 N ATOM 479 CA ASP A 32 -4.964 -3.432 -11.176 1.00 0.00 C ATOM 480 C ASP A 32 -3.939 -3.863 -10.134 1.00 0.00 C ATOM 481 O ASP A 32 -2.849 -4.340 -10.456 1.00 0.00 O ATOM 482 CB ASP A 32 -4.288 -3.135 -12.510 1.00 0.00 C ATOM 483 CG ASP A 32 -3.174 -2.106 -12.407 1.00 0.00 C ATOM 484 OD1 ASP A 32 -3.358 -1.084 -11.710 1.00 0.00 O ATOM 485 OD2 ASP A 32 -2.106 -2.316 -13.023 1.00 0.00 O ATOM 0 H ASP A 32 -5.273 -1.379 -11.105 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.673 -4.249 -11.307 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.881 -4.061 -12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.037 -2.779 -13.217 1.00 0.00 H new ATOM 490 N LEU A 33 -4.315 -3.696 -8.881 1.00 0.00 N ATOM 491 CA LEU A 33 -3.438 -3.960 -7.760 1.00 0.00 C ATOM 492 C LEU A 33 -3.321 -5.462 -7.523 1.00 0.00 C ATOM 493 O LEU A 33 -4.330 -6.159 -7.416 1.00 0.00 O ATOM 494 CB LEU A 33 -3.989 -3.255 -6.520 1.00 0.00 C ATOM 495 CG LEU A 33 -2.947 -2.780 -5.507 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.574 -1.765 -4.571 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.380 -3.948 -4.711 1.00 0.00 C ATOM 0 H LEU A 33 -5.244 -3.371 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.440 -3.577 -7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.572 -2.393 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.677 -3.933 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.124 -2.315 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.830 -1.427 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.934 -0.913 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.409 -2.225 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.642 -3.579 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.186 -4.447 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.906 -4.656 -5.391 1.00 0.00 H new ATOM 509 N PRO A 34 -2.086 -5.977 -7.479 1.00 0.00 N ATOM 510 CA PRO A 34 -1.820 -7.393 -7.196 1.00 0.00 C ATOM 511 C PRO A 34 -2.112 -7.766 -5.744 1.00 0.00 C ATOM 512 O PRO A 34 -1.794 -7.017 -4.823 1.00 0.00 O ATOM 513 CB PRO A 34 -0.322 -7.527 -7.478 1.00 0.00 C ATOM 514 CG PRO A 34 0.217 -6.163 -7.224 1.00 0.00 C ATOM 515 CD PRO A 34 -0.840 -5.225 -7.719 1.00 0.00 C ATOM 0 HA PRO A 34 -2.451 -8.051 -7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.142 -8.267 -6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.136 -7.845 -8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.415 -6.009 -6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.159 -6.008 -7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.828 -4.280 -7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.708 -4.988 -8.775 1.00 0.00 H new ATOM 523 N TYR A 35 -2.728 -8.921 -5.555 1.00 0.00 N ATOM 524 CA TYR A 35 -2.975 -9.457 -4.224 1.00 0.00 C ATOM 525 C TYR A 35 -3.242 -10.951 -4.319 1.00 0.00 C ATOM 526 O TYR A 35 -3.845 -11.417 -5.286 1.00 0.00 O ATOM 527 CB TYR A 35 -4.147 -8.741 -3.538 1.00 0.00 C ATOM 528 CG TYR A 35 -5.461 -8.810 -4.288 1.00 0.00 C ATOM 529 CD1 TYR A 35 -5.722 -7.953 -5.348 1.00 0.00 C ATOM 530 CD2 TYR A 35 -6.444 -9.722 -3.927 1.00 0.00 C ATOM 531 CE1 TYR A 35 -6.922 -8.002 -6.028 1.00 0.00 C ATOM 532 CE2 TYR A 35 -7.647 -9.779 -4.604 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.879 -8.918 -5.653 1.00 0.00 C ATOM 534 OH TYR A 35 -9.080 -8.964 -6.321 1.00 0.00 O ATOM 0 H TYR A 35 -3.070 -9.511 -6.313 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.088 -9.286 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.288 -9.172 -2.547 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.881 -7.694 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.973 -7.235 -5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.265 -10.398 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.109 -7.326 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.401 -10.495 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.815 -8.938 -5.674 1.00 0.00 H new ATOM 544 N SER A 36 -2.784 -11.700 -3.332 1.00 0.00 N ATOM 545 CA SER A 36 -2.918 -13.145 -3.371 1.00 0.00 C ATOM 546 C SER A 36 -3.115 -13.726 -1.974 1.00 0.00 C ATOM 547 O SER A 36 -4.179 -14.253 -1.657 1.00 0.00 O ATOM 548 CB SER A 36 -1.681 -13.756 -4.030 1.00 0.00 C ATOM 549 OG SER A 36 -1.813 -15.158 -4.197 1.00 0.00 O ATOM 0 H SER A 36 -2.320 -11.336 -2.500 1.00 0.00 H new ATOM 0 HA SER A 36 -3.803 -13.391 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.517 -13.288 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.802 -13.543 -3.421 1.00 0.00 H new ATOM 0 HG SER A 36 -1.005 -15.514 -4.622 1.00 0.00 H new ATOM 555 N CYS A 37 -2.095 -13.610 -1.135 1.00 0.00 N ATOM 556 CA CYS A 37 -2.116 -14.236 0.177 1.00 0.00 C ATOM 557 C CYS A 37 -3.063 -13.517 1.127 1.00 0.00 C ATOM 558 O CYS A 37 -3.634 -14.130 2.027 1.00 0.00 O ATOM 559 CB CYS A 37 -0.710 -14.247 0.769 1.00 0.00 C ATOM 560 SG CYS A 37 0.023 -12.601 0.908 1.00 0.00 S ATOM 0 H CYS A 37 -1.243 -13.088 -1.341 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.474 -15.258 0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.743 -14.706 1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.067 -14.872 0.149 1.00 0.00 H new ATOM 0 HG CYS A 37 1.117 -12.553 0.208 1.00 0.00 H new ATOM 565 N ARG A 38 -3.203 -12.201 0.921 1.00 0.00 N ATOM 566 CA ARG A 38 -4.053 -11.352 1.759 1.00 0.00 C ATOM 567 C ARG A 38 -3.479 -11.253 3.171 1.00 0.00 C ATOM 568 O ARG A 38 -4.146 -10.765 4.082 1.00 0.00 O ATOM 569 CB ARG A 38 -5.492 -11.892 1.824 1.00 0.00 C ATOM 570 CG ARG A 38 -6.191 -11.990 0.474 1.00 0.00 C ATOM 571 CD ARG A 38 -6.681 -10.636 -0.020 1.00 0.00 C ATOM 572 NE ARG A 38 -7.763 -10.097 0.811 1.00 0.00 N ATOM 573 CZ ARG A 38 -8.883 -9.549 0.326 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.114 -9.540 -0.982 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.785 -9.035 1.156 1.00 0.00 N ATOM 0 H ARG A 38 -2.731 -11.698 0.170 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.077 -10.360 1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.475 -12.880 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.080 -11.247 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.505 -12.415 -0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.036 -12.673 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.849 -9.932 -0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.029 -10.732 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.654 -10.143 1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.436 -9.952 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.970 -9.121 -1.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.623 -9.058 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.639 -8.617 0.786 1.00 0.00 H new ATOM 589 N ALA A 39 -2.238 -11.707 3.347 1.00 0.00 N ATOM 590 CA ALA A 39 -1.632 -11.757 4.673 1.00 0.00 C ATOM 591 C ALA A 39 -0.181 -11.282 4.672 1.00 0.00 C ATOM 592 O ALA A 39 0.375 -10.972 5.727 1.00 0.00 O ATOM 593 CB ALA A 39 -1.719 -13.170 5.233 1.00 0.00 C ATOM 0 H ALA A 39 -1.638 -12.042 2.593 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.193 -11.073 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.264 -13.198 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.765 -13.469 5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.191 -13.857 4.572 1.00 0.00 H new ATOM 599 N GLY A 40 0.438 -11.230 3.499 1.00 0.00 N ATOM 600 CA GLY A 40 1.791 -10.716 3.410 1.00 0.00 C ATOM 601 C GLY A 40 2.840 -11.800 3.295 1.00 0.00 C ATOM 602 O GLY A 40 3.855 -11.759 3.991 1.00 0.00 O ATOM 0 H GLY A 40 0.031 -11.532 2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.865 -10.056 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.000 -10.110 4.292 1.00 0.00 H new ATOM 606 N ALA A 41 2.603 -12.776 2.431 1.00 0.00 N ATOM 607 CA ALA A 41 3.565 -13.849 2.219 1.00 0.00 C ATOM 608 C ALA A 41 4.610 -13.439 1.185 1.00 0.00 C ATOM 609 O ALA A 41 5.621 -14.119 1.001 1.00 0.00 O ATOM 610 CB ALA A 41 2.853 -15.120 1.786 1.00 0.00 C ATOM 0 H ALA A 41 1.756 -12.848 1.867 1.00 0.00 H new ATOM 0 HA ALA A 41 4.077 -14.044 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.585 -15.913 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.148 -15.423 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.315 -14.937 0.856 1.00 0.00 H new ATOM 616 N CYS A 42 4.363 -12.319 0.524 1.00 0.00 N ATOM 617 CA CYS A 42 5.296 -11.767 -0.443 1.00 0.00 C ATOM 618 C CYS A 42 5.373 -10.254 -0.265 1.00 0.00 C ATOM 619 O CYS A 42 4.739 -9.704 0.635 1.00 0.00 O ATOM 620 CB CYS A 42 4.854 -12.126 -1.865 1.00 0.00 C ATOM 621 SG CYS A 42 3.148 -11.668 -2.252 1.00 0.00 S ATOM 0 H CYS A 42 3.512 -11.769 0.643 1.00 0.00 H new ATOM 0 HA CYS A 42 6.286 -12.192 -0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.520 -11.635 -2.575 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.971 -13.200 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 42 3.101 -10.413 -2.586 1.00 0.00 H new ATOM 626 N SER A 43 6.159 -9.581 -1.092 1.00 0.00 N ATOM 627 CA SER A 43 6.286 -8.135 -0.992 1.00 0.00 C ATOM 628 C SER A 43 6.331 -7.487 -2.373 1.00 0.00 C ATOM 629 O SER A 43 6.764 -6.344 -2.520 1.00 0.00 O ATOM 630 CB SER A 43 7.533 -7.775 -0.185 1.00 0.00 C ATOM 631 OG SER A 43 7.486 -8.362 1.105 1.00 0.00 O ATOM 0 H SER A 43 6.714 -10.008 -1.834 1.00 0.00 H new ATOM 0 HA SER A 43 5.407 -7.748 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.424 -8.116 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.612 -6.692 -0.094 1.00 0.00 H new ATOM 0 HG SER A 43 8.398 -8.547 1.414 1.00 0.00 H new ATOM 637 N SER A 44 5.861 -8.212 -3.379 1.00 0.00 N ATOM 638 CA SER A 44 5.816 -7.687 -4.737 1.00 0.00 C ATOM 639 C SER A 44 4.533 -6.886 -4.952 1.00 0.00 C ATOM 640 O SER A 44 4.369 -6.194 -5.957 1.00 0.00 O ATOM 641 CB SER A 44 5.915 -8.833 -5.742 1.00 0.00 C ATOM 642 OG SER A 44 7.095 -9.592 -5.521 1.00 0.00 O ATOM 0 H SER A 44 5.506 -9.163 -3.281 1.00 0.00 H new ATOM 0 HA SER A 44 6.664 -7.019 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.040 -9.477 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.917 -8.435 -6.757 1.00 0.00 H new ATOM 0 HG SER A 44 7.141 -10.323 -6.173 1.00 0.00 H new ATOM 648 N CYS A 45 3.632 -6.991 -3.990 1.00 0.00 N ATOM 649 CA CYS A 45 2.387 -6.247 -4.009 1.00 0.00 C ATOM 650 C CYS A 45 2.429 -5.110 -2.994 1.00 0.00 C ATOM 651 O CYS A 45 1.397 -4.568 -2.605 1.00 0.00 O ATOM 652 CB CYS A 45 1.240 -7.202 -3.689 1.00 0.00 C ATOM 653 SG CYS A 45 1.812 -8.836 -3.159 1.00 0.00 S ATOM 0 H CYS A 45 3.744 -7.594 -3.175 1.00 0.00 H new ATOM 0 HA CYS A 45 2.238 -5.810 -4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.620 -6.768 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.608 -7.312 -4.571 1.00 0.00 H new ATOM 0 HG CYS A 45 0.786 -9.593 -2.903 1.00 0.00 H new ATOM 658 N ALA A 46 3.630 -4.741 -2.563 1.00 0.00 N ATOM 659 CA ALA A 46 3.763 -3.739 -1.522 1.00 0.00 C ATOM 660 C ALA A 46 3.529 -2.332 -2.070 1.00 0.00 C ATOM 661 O ALA A 46 4.337 -1.813 -2.846 1.00 0.00 O ATOM 662 CB ALA A 46 5.129 -3.845 -0.846 1.00 0.00 C ATOM 0 H ALA A 46 4.511 -5.116 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 46 2.995 -3.929 -0.772 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.210 -3.086 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.239 -4.834 -0.401 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.914 -3.691 -1.586 1.00 0.00 H new ATOM 668 N GLY A 47 2.439 -1.712 -1.625 1.00 0.00 N ATOM 669 CA GLY A 47 2.103 -0.368 -2.059 1.00 0.00 C ATOM 670 C GLY A 47 2.951 0.678 -1.374 1.00 0.00 C ATOM 671 O GLY A 47 3.762 0.357 -0.511 1.00 0.00 O ATOM 0 H GLY A 47 1.778 -2.122 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.236 -0.292 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.051 -0.173 -1.853 1.00 0.00 H new ATOM 675 N LYS A 48 2.817 1.927 -1.779 1.00 0.00 N ATOM 676 CA LYS A 48 3.591 3.005 -1.181 1.00 0.00 C ATOM 677 C LYS A 48 2.678 4.003 -0.497 1.00 0.00 C ATOM 678 O LYS A 48 1.706 4.462 -1.082 1.00 0.00 O ATOM 679 CB LYS A 48 4.404 3.746 -2.245 1.00 0.00 C ATOM 680 CG LYS A 48 5.642 3.044 -2.757 1.00 0.00 C ATOM 681 CD LYS A 48 5.519 1.537 -2.734 1.00 0.00 C ATOM 682 CE LYS A 48 6.437 0.928 -1.702 1.00 0.00 C ATOM 683 NZ LYS A 48 6.583 -0.538 -1.903 1.00 0.00 N ATOM 0 H LYS A 48 2.180 2.223 -2.519 1.00 0.00 H new ATOM 0 HA LYS A 48 4.264 2.556 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.751 3.949 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.703 4.711 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.843 3.371 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.498 3.342 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.488 1.257 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.758 1.135 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.416 1.404 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.045 1.123 -0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.755 -0.999 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.712 -0.919 -2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.384 -0.723 -2.540 1.00 0.00 H new ATOM 697 N VAL A 49 3.000 4.353 0.726 1.00 0.00 N ATOM 698 CA VAL A 49 2.273 5.403 1.409 1.00 0.00 C ATOM 699 C VAL A 49 2.739 6.755 0.869 1.00 0.00 C ATOM 700 O VAL A 49 3.841 7.224 1.159 1.00 0.00 O ATOM 701 CB VAL A 49 2.412 5.311 2.965 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.492 6.686 3.611 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.223 4.573 3.546 1.00 0.00 C ATOM 0 H VAL A 49 3.755 3.931 1.267 1.00 0.00 H new ATOM 0 HA VAL A 49 1.208 5.283 1.208 1.00 0.00 H new ATOM 0 HB VAL A 49 3.338 4.775 3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.588 6.576 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.359 7.221 3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.587 7.249 3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.326 4.513 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.306 5.108 3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.180 3.567 3.129 1.00 0.00 H new ATOM 713 N ALA A 50 1.913 7.339 0.019 1.00 0.00 N ATOM 714 CA ALA A 50 2.208 8.625 -0.575 1.00 0.00 C ATOM 715 C ALA A 50 1.804 9.726 0.383 1.00 0.00 C ATOM 716 O ALA A 50 2.498 10.729 0.553 1.00 0.00 O ATOM 717 CB ALA A 50 1.443 8.750 -1.876 1.00 0.00 C ATOM 0 H ALA A 50 1.024 6.935 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 50 3.276 8.712 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.658 9.716 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.746 7.952 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.374 8.672 -1.678 1.00 0.00 H new ATOM 723 N ALA A 51 0.677 9.496 1.021 1.00 0.00 N ATOM 724 CA ALA A 51 0.108 10.416 1.973 1.00 0.00 C ATOM 725 C ALA A 51 -0.499 9.629 3.112 1.00 0.00 C ATOM 726 O ALA A 51 -0.704 8.423 2.976 1.00 0.00 O ATOM 727 CB ALA A 51 -0.967 11.242 1.304 1.00 0.00 C ATOM 0 H ALA A 51 0.124 8.649 0.888 1.00 0.00 H new ATOM 0 HA ALA A 51 0.885 11.080 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.395 11.936 2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.533 11.802 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.749 10.584 0.926 1.00 0.00 H new ATOM 733 N GLY A 52 -0.795 10.301 4.210 1.00 0.00 N ATOM 734 CA GLY A 52 -1.460 9.651 5.317 1.00 0.00 C ATOM 735 C GLY A 52 -0.646 8.518 5.907 1.00 0.00 C ATOM 736 O GLY A 52 0.573 8.462 5.735 1.00 0.00 O ATOM 0 H GLY A 52 -0.586 11.289 4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.666 10.387 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.422 9.264 4.981 1.00 0.00 H new ATOM 740 N THR A 53 -1.321 7.609 6.598 1.00 0.00 N ATOM 741 CA THR A 53 -0.663 6.460 7.192 1.00 0.00 C ATOM 742 C THR A 53 -1.537 5.222 7.087 1.00 0.00 C ATOM 743 O THR A 53 -2.739 5.311 6.818 1.00 0.00 O ATOM 744 CB THR A 53 -0.328 6.691 8.675 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.523 7.006 9.407 1.00 0.00 O ATOM 746 CG2 THR A 53 0.681 7.815 8.838 1.00 0.00 C ATOM 0 H THR A 53 -2.327 7.648 6.760 1.00 0.00 H new ATOM 0 HA THR A 53 0.264 6.315 6.637 1.00 0.00 H new ATOM 0 HB THR A 53 0.109 5.774 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.022 6.182 9.588 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.900 7.957 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.599 7.559 8.309 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.269 8.736 8.426 1.00 0.00 H new ATOM 754 N VAL A 54 -0.926 4.075 7.318 1.00 0.00 N ATOM 755 CA VAL A 54 -1.611 2.798 7.256 1.00 0.00 C ATOM 756 C VAL A 54 -1.123 1.911 8.406 1.00 0.00 C ATOM 757 O VAL A 54 -0.107 2.217 9.031 1.00 0.00 O ATOM 758 CB VAL A 54 -1.330 2.083 5.928 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.793 2.914 4.738 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.150 1.766 5.831 1.00 0.00 C ATOM 0 H VAL A 54 0.063 4.003 7.555 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.683 2.979 7.336 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.897 1.152 5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.578 2.377 3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.866 3.092 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.267 3.868 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.352 1.258 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.724 2.692 5.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.439 1.120 6.660 1.00 0.00 H new ATOM 770 N ASP A 55 -1.830 0.825 8.683 1.00 0.00 N ATOM 771 CA ASP A 55 -1.421 -0.095 9.739 1.00 0.00 C ATOM 772 C ASP A 55 -0.705 -1.306 9.157 1.00 0.00 C ATOM 773 O ASP A 55 -1.338 -2.266 8.719 1.00 0.00 O ATOM 774 CB ASP A 55 -2.629 -0.544 10.564 1.00 0.00 C ATOM 775 CG ASP A 55 -2.230 -1.376 11.764 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.455 -0.875 12.606 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.702 -2.525 11.879 1.00 0.00 O ATOM 0 H ASP A 55 -2.685 0.559 8.195 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.729 0.434 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.182 0.333 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.303 -1.122 9.932 1.00 0.00 H new ATOM 782 N GLN A 56 0.618 -1.239 9.156 1.00 0.00 N ATOM 783 CA GLN A 56 1.470 -2.318 8.664 1.00 0.00 C ATOM 784 C GLN A 56 2.411 -2.766 9.774 1.00 0.00 C ATOM 785 O GLN A 56 3.634 -2.724 9.620 1.00 0.00 O ATOM 786 CB GLN A 56 2.279 -1.852 7.453 1.00 0.00 C ATOM 787 CG GLN A 56 2.805 -0.440 7.607 1.00 0.00 C ATOM 788 CD GLN A 56 4.140 -0.224 6.952 1.00 0.00 C ATOM 789 OE1 GLN A 56 5.195 -0.435 7.547 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.088 0.228 5.723 1.00 0.00 N ATOM 0 H GLN A 56 1.137 -0.430 9.498 1.00 0.00 H new ATOM 0 HA GLN A 56 0.841 -3.154 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.117 -2.532 7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.654 -1.907 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.083 0.257 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.887 -0.205 8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.185 0.386 5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.950 0.422 5.214 1.00 0.00 H new ATOM 799 N SER A 57 1.824 -3.169 10.899 1.00 0.00 N ATOM 800 CA SER A 57 2.582 -3.538 12.095 1.00 0.00 C ATOM 801 C SER A 57 3.749 -4.473 11.766 1.00 0.00 C ATOM 802 O SER A 57 4.889 -4.207 12.155 1.00 0.00 O ATOM 803 CB SER A 57 1.658 -4.189 13.127 1.00 0.00 C ATOM 804 OG SER A 57 2.338 -4.422 14.350 1.00 0.00 O ATOM 0 H SER A 57 0.813 -3.249 11.008 1.00 0.00 H new ATOM 0 HA SER A 57 3.002 -2.623 12.513 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.796 -3.546 13.304 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.277 -5.132 12.734 1.00 0.00 H new ATOM 0 HG SER A 57 1.724 -4.837 14.992 1.00 0.00 H new ATOM 810 N ASP A 58 3.469 -5.549 11.044 1.00 0.00 N ATOM 811 CA ASP A 58 4.505 -6.481 10.640 1.00 0.00 C ATOM 812 C ASP A 58 4.106 -7.162 9.341 1.00 0.00 C ATOM 813 O ASP A 58 3.109 -7.882 9.271 1.00 0.00 O ATOM 814 CB ASP A 58 4.794 -7.519 11.739 1.00 0.00 C ATOM 815 CG ASP A 58 3.659 -8.500 11.970 1.00 0.00 C ATOM 816 OD1 ASP A 58 2.684 -8.139 12.661 1.00 0.00 O ATOM 817 OD2 ASP A 58 3.745 -9.645 11.472 1.00 0.00 O ATOM 0 H ASP A 58 2.531 -5.796 10.727 1.00 0.00 H new ATOM 0 HA ASP A 58 5.426 -5.920 10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.693 -8.075 11.473 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.006 -6.997 12.672 1.00 0.00 H new ATOM 822 N GLN A 59 4.862 -6.886 8.299 1.00 0.00 N ATOM 823 CA GLN A 59 4.608 -7.492 7.003 1.00 0.00 C ATOM 824 C GLN A 59 5.863 -8.167 6.454 1.00 0.00 C ATOM 825 O GLN A 59 5.837 -8.748 5.368 1.00 0.00 O ATOM 826 CB GLN A 59 4.087 -6.435 6.029 1.00 0.00 C ATOM 827 CG GLN A 59 5.128 -5.426 5.578 1.00 0.00 C ATOM 828 CD GLN A 59 4.506 -4.258 4.842 1.00 0.00 C ATOM 829 OE1 GLN A 59 3.427 -3.785 5.198 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.134 -3.835 3.757 1.00 0.00 N ATOM 0 H GLN A 59 5.657 -6.247 8.321 1.00 0.00 H new ATOM 0 HA GLN A 59 3.848 -8.264 7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.682 -6.937 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.262 -5.901 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.675 -5.058 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.853 -5.918 4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.027 -4.249 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.725 -3.095 3.187 1.00 0.00 H new ATOM 839 N SER A 60 6.951 -8.083 7.228 1.00 0.00 N ATOM 840 CA SER A 60 8.244 -8.679 6.875 1.00 0.00 C ATOM 841 C SER A 60 8.893 -7.953 5.694 1.00 0.00 C ATOM 842 O SER A 60 8.201 -7.379 4.849 1.00 0.00 O ATOM 843 CB SER A 60 8.092 -10.176 6.566 1.00 0.00 C ATOM 844 OG SER A 60 9.355 -10.795 6.375 1.00 0.00 O ATOM 0 H SER A 60 6.959 -7.596 8.124 1.00 0.00 H new ATOM 0 HA SER A 60 8.900 -8.568 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.564 -10.666 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.483 -10.305 5.671 1.00 0.00 H new ATOM 0 HG SER A 60 9.227 -11.747 6.182 1.00 0.00 H new ATOM 850 N PHE A 61 10.233 -7.964 5.670 1.00 0.00 N ATOM 851 CA PHE A 61 11.027 -7.381 4.581 1.00 0.00 C ATOM 852 C PHE A 61 10.981 -5.849 4.617 1.00 0.00 C ATOM 853 O PHE A 61 12.016 -5.183 4.630 1.00 0.00 O ATOM 854 CB PHE A 61 10.549 -7.926 3.229 1.00 0.00 C ATOM 855 CG PHE A 61 11.404 -7.533 2.061 1.00 0.00 C ATOM 856 CD1 PHE A 61 12.780 -7.676 2.108 1.00 0.00 C ATOM 857 CD2 PHE A 61 10.825 -7.024 0.912 1.00 0.00 C ATOM 858 CE1 PHE A 61 13.563 -7.316 1.030 1.00 0.00 C ATOM 859 CE2 PHE A 61 11.603 -6.665 -0.170 1.00 0.00 C ATOM 860 CZ PHE A 61 12.973 -6.812 -0.109 1.00 0.00 C ATOM 0 H PHE A 61 10.799 -8.380 6.410 1.00 0.00 H new ATOM 0 HA PHE A 61 12.068 -7.672 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.509 -9.014 3.284 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.531 -7.578 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 61 13.246 -8.073 2.998 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.753 -6.906 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.636 -7.429 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.140 -6.270 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 61 13.584 -6.532 -0.954 1.00 0.00 H new ATOM 870 N LEU A 62 9.779 -5.304 4.622 1.00 0.00 N ATOM 871 CA LEU A 62 9.564 -3.880 4.798 1.00 0.00 C ATOM 872 C LEU A 62 9.396 -3.593 6.288 1.00 0.00 C ATOM 873 O LEU A 62 8.681 -4.319 6.978 1.00 0.00 O ATOM 874 CB LEU A 62 8.313 -3.470 4.032 1.00 0.00 C ATOM 875 CG LEU A 62 8.038 -1.970 3.954 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.364 -1.642 2.639 1.00 0.00 C ATOM 877 CD2 LEU A 62 7.165 -1.521 5.116 1.00 0.00 C ATOM 0 H LEU A 62 8.919 -5.840 4.503 1.00 0.00 H new ATOM 0 HA LEU A 62 10.413 -3.312 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.389 -3.859 3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.453 -3.954 4.495 1.00 0.00 H new ATOM 0 HG LEU A 62 8.987 -1.438 4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.169 -0.571 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.014 -1.933 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.422 -2.186 2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.982 -0.449 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.215 -2.055 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.672 -1.737 6.057 1.00 0.00 H new ATOM 889 N ASP A 63 10.044 -2.554 6.790 1.00 0.00 N ATOM 890 CA ASP A 63 9.987 -2.259 8.218 1.00 0.00 C ATOM 891 C ASP A 63 9.307 -0.927 8.497 1.00 0.00 C ATOM 892 O ASP A 63 8.868 -0.244 7.572 1.00 0.00 O ATOM 893 CB ASP A 63 11.381 -2.268 8.833 1.00 0.00 C ATOM 894 CG ASP A 63 11.981 -3.655 8.913 1.00 0.00 C ATOM 895 OD1 ASP A 63 11.692 -4.376 9.890 1.00 0.00 O ATOM 896 OD2 ASP A 63 12.753 -4.028 8.007 1.00 0.00 O ATOM 0 H ASP A 63 10.609 -1.907 6.241 1.00 0.00 H new ATOM 0 HA ASP A 63 9.390 -3.045 8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.037 -1.628 8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.334 -1.840 9.834 1.00 0.00 H new ATOM 901 N ASP A 64 9.237 -0.555 9.769 1.00 0.00 N ATOM 902 CA ASP A 64 8.552 0.669 10.185 1.00 0.00 C ATOM 903 C ASP A 64 9.163 1.896 9.516 1.00 0.00 C ATOM 904 O ASP A 64 8.446 2.792 9.065 1.00 0.00 O ATOM 905 CB ASP A 64 8.613 0.820 11.705 1.00 0.00 C ATOM 906 CG ASP A 64 7.777 1.980 12.203 1.00 0.00 C ATOM 907 OD1 ASP A 64 8.292 3.113 12.263 1.00 0.00 O ATOM 908 OD2 ASP A 64 6.595 1.762 12.537 1.00 0.00 O ATOM 0 H ASP A 64 9.648 -1.085 10.537 1.00 0.00 H new ATOM 0 HA ASP A 64 7.510 0.593 9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.267 -0.101 12.173 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.649 0.964 12.012 1.00 0.00 H new ATOM 913 N ALA A 65 10.490 1.906 9.420 1.00 0.00 N ATOM 914 CA ALA A 65 11.217 3.009 8.797 1.00 0.00 C ATOM 915 C ALA A 65 10.740 3.243 7.374 1.00 0.00 C ATOM 916 O ALA A 65 10.726 4.369 6.880 1.00 0.00 O ATOM 917 CB ALA A 65 12.707 2.707 8.779 1.00 0.00 C ATOM 0 H ALA A 65 11.088 1.157 9.769 1.00 0.00 H new ATOM 0 HA ALA A 65 11.028 3.908 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.240 3.535 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.064 2.575 9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.886 1.794 8.211 1.00 0.00 H new ATOM 923 N GLN A 66 10.343 2.166 6.724 1.00 0.00 N ATOM 924 CA GLN A 66 9.906 2.219 5.350 1.00 0.00 C ATOM 925 C GLN A 66 8.558 2.919 5.230 1.00 0.00 C ATOM 926 O GLN A 66 8.312 3.597 4.246 1.00 0.00 O ATOM 927 CB GLN A 66 9.846 0.804 4.799 1.00 0.00 C ATOM 928 CG GLN A 66 11.158 0.066 4.973 1.00 0.00 C ATOM 929 CD GLN A 66 12.234 0.570 4.037 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.938 1.534 4.335 1.00 0.00 O ATOM 931 NE2 GLN A 66 12.385 -0.108 2.917 1.00 0.00 N ATOM 0 H GLN A 66 10.316 1.233 7.136 1.00 0.00 H new ATOM 0 HA GLN A 66 10.618 2.801 4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.052 0.253 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.588 0.839 3.741 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.498 0.173 6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.999 -0.998 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.776 -0.901 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.111 0.160 2.253 1.00 0.00 H new ATOM 940 N MET A 67 7.693 2.772 6.230 1.00 0.00 N ATOM 941 CA MET A 67 6.415 3.470 6.226 1.00 0.00 C ATOM 942 C MET A 67 6.647 4.968 6.365 1.00 0.00 C ATOM 943 O MET A 67 5.992 5.771 5.700 1.00 0.00 O ATOM 944 CB MET A 67 5.519 2.965 7.354 1.00 0.00 C ATOM 945 CG MET A 67 4.035 3.175 7.087 1.00 0.00 C ATOM 946 SD MET A 67 3.493 4.891 7.244 1.00 0.00 S ATOM 947 CE MET A 67 3.873 5.226 8.963 1.00 0.00 C ATOM 0 H MET A 67 7.853 2.181 7.046 1.00 0.00 H new ATOM 0 HA MET A 67 5.912 3.272 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.706 1.902 7.509 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.790 3.474 8.279 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.804 2.823 6.082 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.461 2.559 7.780 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.254 6.049 9.319 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.672 4.337 9.560 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.925 5.496 9.057 1.00 0.00 H new ATOM 957 N GLY A 68 7.600 5.336 7.214 1.00 0.00 N ATOM 958 CA GLY A 68 7.987 6.730 7.335 1.00 0.00 C ATOM 959 C GLY A 68 8.596 7.248 6.048 1.00 0.00 C ATOM 960 O GLY A 68 8.598 8.449 5.781 1.00 0.00 O ATOM 0 H GLY A 68 8.111 4.695 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.115 7.330 7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.703 6.841 8.149 1.00 0.00 H new ATOM 964 N ASN A 69 9.122 6.325 5.257 1.00 0.00 N ATOM 965 CA ASN A 69 9.646 6.638 3.939 1.00 0.00 C ATOM 966 C ASN A 69 8.533 6.617 2.897 1.00 0.00 C ATOM 967 O ASN A 69 8.684 7.148 1.797 1.00 0.00 O ATOM 968 CB ASN A 69 10.726 5.626 3.568 1.00 0.00 C ATOM 969 CG ASN A 69 12.086 5.983 4.136 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.405 7.157 4.320 1.00 0.00 O ATOM 971 ND2 ASN A 69 12.897 4.975 4.418 1.00 0.00 N ATOM 0 H ASN A 69 9.197 5.340 5.511 1.00 0.00 H new ATOM 0 HA ASN A 69 10.076 7.640 3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.434 4.640 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.797 5.559 2.482 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.824 5.158 4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.595 4.015 4.251 1.00 0.00 H new ATOM 978 N GLY A 70 7.416 6.003 3.261 1.00 0.00 N ATOM 979 CA GLY A 70 6.264 5.950 2.383 1.00 0.00 C ATOM 980 C GLY A 70 6.112 4.612 1.684 1.00 0.00 C ATOM 981 O GLY A 70 5.660 4.553 0.548 1.00 0.00 O ATOM 0 H GLY A 70 7.287 5.536 4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.363 6.156 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.348 6.737 1.634 1.00 0.00 H new ATOM 985 N PHE A 71 6.507 3.534 2.347 1.00 0.00 N ATOM 986 CA PHE A 71 6.439 2.202 1.750 1.00 0.00 C ATOM 987 C PHE A 71 5.667 1.249 2.649 1.00 0.00 C ATOM 988 O PHE A 71 5.919 1.170 3.848 1.00 0.00 O ATOM 989 CB PHE A 71 7.855 1.673 1.479 1.00 0.00 C ATOM 990 CG PHE A 71 8.716 2.662 0.745 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.212 3.328 -0.351 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.011 2.928 1.148 1.00 0.00 C ATOM 993 CE1 PHE A 71 8.966 4.249 -1.040 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.783 3.849 0.464 1.00 0.00 C ATOM 995 CZ PHE A 71 10.257 4.513 -0.632 1.00 0.00 C ATOM 0 H PHE A 71 6.878 3.553 3.297 1.00 0.00 H new ATOM 0 HA PHE A 71 5.908 2.271 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.330 1.418 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.789 0.754 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.203 3.122 -0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.423 2.413 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.550 4.762 -1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.795 4.050 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.856 5.236 -1.166 1.00 0.00 H new ATOM 1005 N VAL A 72 4.720 0.528 2.048 1.00 0.00 N ATOM 1006 CA VAL A 72 3.737 -0.259 2.788 1.00 0.00 C ATOM 1007 C VAL A 72 3.386 -1.541 2.014 1.00 0.00 C ATOM 1008 O VAL A 72 3.943 -1.779 0.953 1.00 0.00 O ATOM 1009 CB VAL A 72 2.466 0.598 3.003 1.00 0.00 C ATOM 1010 CG1 VAL A 72 2.828 1.911 3.660 1.00 0.00 C ATOM 1011 CG2 VAL A 72 1.781 0.856 1.668 1.00 0.00 C ATOM 0 H VAL A 72 4.614 0.474 1.035 1.00 0.00 H new ATOM 0 HA VAL A 72 4.154 -0.546 3.753 1.00 0.00 H new ATOM 0 HB VAL A 72 1.781 0.055 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.926 2.505 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.296 1.718 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.523 2.457 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.888 1.460 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.464 1.387 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.500 -0.094 1.213 1.00 0.00 H new ATOM 1021 N LEU A 73 2.526 -2.397 2.568 1.00 0.00 N ATOM 1022 CA LEU A 73 2.020 -3.564 1.830 1.00 0.00 C ATOM 1023 C LEU A 73 0.501 -3.588 1.867 1.00 0.00 C ATOM 1024 O LEU A 73 -0.093 -3.419 2.919 1.00 0.00 O ATOM 1025 CB LEU A 73 2.564 -4.868 2.417 1.00 0.00 C ATOM 1026 CG LEU A 73 3.097 -5.889 1.404 1.00 0.00 C ATOM 1027 CD1 LEU A 73 3.769 -7.044 2.125 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.982 -6.407 0.508 1.00 0.00 C ATOM 0 H LEU A 73 2.165 -2.309 3.518 1.00 0.00 H new ATOM 0 HA LEU A 73 2.360 -3.479 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.366 -4.623 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.772 -5.341 2.997 1.00 0.00 H new ATOM 0 HG LEU A 73 3.832 -5.387 0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.143 -7.761 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.600 -6.667 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.047 -7.534 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.390 -7.129 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.219 -6.889 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.538 -5.575 -0.038 1.00 0.00 H new ATOM 1040 N THR A 74 -0.127 -3.823 0.727 1.00 0.00 N ATOM 1041 CA THR A 74 -1.578 -3.819 0.647 1.00 0.00 C ATOM 1042 C THR A 74 -2.187 -5.055 1.301 1.00 0.00 C ATOM 1043 O THR A 74 -3.309 -5.008 1.800 1.00 0.00 O ATOM 1044 CB THR A 74 -2.038 -3.731 -0.812 1.00 0.00 C ATOM 1045 OG1 THR A 74 -1.263 -4.632 -1.609 1.00 0.00 O ATOM 1046 CG2 THR A 74 -1.884 -2.313 -1.339 1.00 0.00 C ATOM 0 H THR A 74 0.345 -4.019 -0.156 1.00 0.00 H new ATOM 0 HA THR A 74 -1.925 -2.941 1.191 1.00 0.00 H new ATOM 0 HB THR A 74 -3.092 -4.005 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.424 -4.198 -1.871 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.216 -2.272 -2.376 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.488 -1.634 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.837 -2.015 -1.281 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.442 -6.156 1.298 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.917 -7.405 1.887 1.00 0.00 C ATOM 1056 C CYS A 75 -1.823 -7.387 3.413 1.00 0.00 C ATOM 1057 O CYS A 75 -2.407 -8.238 4.080 1.00 0.00 O ATOM 1058 CB CYS A 75 -1.132 -8.601 1.325 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.468 -8.969 -0.420 1.00 0.00 S ATOM 0 H CYS A 75 -0.507 -6.209 0.894 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.968 -7.509 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.066 -8.408 1.444 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.364 -9.484 1.921 1.00 0.00 H new ATOM 0 HG CYS A 75 -1.573 -7.857 -1.085 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.100 -6.418 3.970 1.00 0.00 N ATOM 1065 CA VAL A 76 -0.872 -6.393 5.414 1.00 0.00 C ATOM 1066 C VAL A 76 -1.014 -4.985 5.977 1.00 0.00 C ATOM 1067 O VAL A 76 -0.418 -4.662 7.004 1.00 0.00 O ATOM 1068 CB VAL A 76 0.537 -6.906 5.787 1.00 0.00 C ATOM 1069 CG1 VAL A 76 0.530 -7.534 7.172 1.00 0.00 C ATOM 1070 CG2 VAL A 76 1.066 -7.882 4.755 1.00 0.00 C ATOM 0 H VAL A 76 -0.668 -5.651 3.454 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.628 -7.050 5.844 1.00 0.00 H new ATOM 0 HB VAL A 76 1.209 -6.048 5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.531 -7.889 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.219 -6.791 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.166 -8.373 7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.059 -8.222 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.395 -8.738 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.125 -7.389 3.785 1.00 0.00 H new ATOM 1080 N ALA A 77 -1.791 -4.140 5.323 1.00 0.00 N ATOM 1081 CA ALA A 77 -1.898 -2.766 5.769 1.00 0.00 C ATOM 1082 C ALA A 77 -3.163 -2.117 5.279 1.00 0.00 C ATOM 1083 O ALA A 77 -3.640 -2.389 4.174 1.00 0.00 O ATOM 1084 CB ALA A 77 -0.693 -1.950 5.330 1.00 0.00 C ATOM 0 H ALA A 77 -2.345 -4.375 4.500 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.928 -2.789 6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.802 -0.923 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.213 -2.383 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.625 -1.958 4.242 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.701 -1.268 6.120 1.00 0.00 N ATOM 1091 CA TYR A 78 -4.834 -0.457 5.768 1.00 0.00 C ATOM 1092 C TYR A 78 -4.724 0.901 6.418 1.00 0.00 C ATOM 1093 O TYR A 78 -4.056 1.049 7.432 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.126 -1.132 6.176 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.085 -1.831 7.515 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.113 -1.111 8.697 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.034 -3.220 7.593 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.092 -1.750 9.920 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.016 -3.864 8.810 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.045 -3.127 9.972 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.036 -3.770 11.188 1.00 0.00 O ATOM 0 H TYR A 78 -3.362 -1.122 7.071 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.843 -0.330 4.685 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -6.918 -0.384 6.198 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.396 -1.860 5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.152 -0.032 8.662 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.008 -3.802 6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.112 -1.174 10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.979 -4.943 8.852 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.002 -4.739 11.045 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.387 1.904 5.847 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.264 3.285 6.290 1.00 0.00 C ATOM 1113 C PRO A 79 -5.663 3.465 7.741 1.00 0.00 C ATOM 1114 O PRO A 79 -6.771 3.125 8.140 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.225 4.048 5.375 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.161 3.016 4.863 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.343 1.772 4.744 1.00 0.00 C ATOM 0 HA PRO A 79 -4.233 3.635 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.756 4.828 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.691 4.537 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.000 2.872 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.579 3.306 3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.954 0.875 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.841 1.709 3.779 1.00 0.00 H new ATOM 1125 N THR A 80 -4.738 3.966 8.533 1.00 0.00 N ATOM 1126 CA THR A 80 -5.055 4.385 9.887 1.00 0.00 C ATOM 1127 C THR A 80 -5.502 5.836 9.873 1.00 0.00 C ATOM 1128 O THR A 80 -5.889 6.400 10.897 1.00 0.00 O ATOM 1129 CB THR A 80 -3.854 4.211 10.832 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.651 4.640 10.179 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.714 2.764 11.264 1.00 0.00 C ATOM 0 H THR A 80 -3.762 4.094 8.266 1.00 0.00 H new ATOM 0 HA THR A 80 -5.860 3.752 10.261 1.00 0.00 H new ATOM 0 HB THR A 80 -4.023 4.823 11.718 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.891 4.528 10.787 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.858 2.665 11.932 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.619 2.451 11.785 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.564 2.135 10.386 1.00 0.00 H new ATOM 1139 N SER A 81 -5.432 6.430 8.692 1.00 0.00 N ATOM 1140 CA SER A 81 -5.950 7.766 8.466 1.00 0.00 C ATOM 1141 C SER A 81 -6.285 7.937 6.996 1.00 0.00 C ATOM 1142 O SER A 81 -6.051 7.038 6.184 1.00 0.00 O ATOM 1143 CB SER A 81 -4.935 8.824 8.881 1.00 0.00 C ATOM 1144 OG SER A 81 -5.500 10.124 8.884 1.00 0.00 O ATOM 0 H SER A 81 -5.015 5.999 7.867 1.00 0.00 H new ATOM 0 HA SER A 81 -6.848 7.893 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.554 8.591 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.085 8.799 8.199 1.00 0.00 H new ATOM 0 HG SER A 81 -4.820 10.775 9.157 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.808 9.098 6.667 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.177 9.421 5.304 1.00 0.00 C ATOM 1152 C ASP A 82 -5.909 9.723 4.523 1.00 0.00 C ATOM 1153 O ASP A 82 -5.166 10.642 4.870 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.127 10.619 5.289 1.00 0.00 C ATOM 1155 CG ASP A 82 -9.481 10.307 5.905 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -9.640 10.483 7.130 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -10.398 9.888 5.165 1.00 0.00 O ATOM 0 H ASP A 82 -6.990 9.846 7.336 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.695 8.580 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.669 11.447 5.831 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.269 10.951 4.261 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.644 8.945 3.488 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.324 8.945 2.876 1.00 0.00 C ATOM 1164 C CYS A 83 -4.378 8.835 1.358 1.00 0.00 C ATOM 1165 O CYS A 83 -5.440 8.886 0.742 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.535 7.779 3.463 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.306 6.168 3.223 1.00 0.00 S ATOM 0 H CYS A 83 -6.316 8.311 3.056 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.840 9.897 3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.542 7.764 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.399 7.948 4.531 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.559 5.246 3.754 1.00 0.00 H new ATOM 1173 N THR A 84 -3.199 8.721 0.779 1.00 0.00 N ATOM 1174 CA THR A 84 -3.020 8.495 -0.639 1.00 0.00 C ATOM 1175 C THR A 84 -1.935 7.458 -0.814 1.00 0.00 C ATOM 1176 O THR A 84 -0.822 7.654 -0.340 1.00 0.00 O ATOM 1177 CB THR A 84 -2.593 9.774 -1.368 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.681 10.707 -1.416 1.00 0.00 O ATOM 1179 CG2 THR A 84 -2.095 9.450 -2.772 1.00 0.00 C ATOM 0 H THR A 84 -2.321 8.785 1.294 1.00 0.00 H new ATOM 0 HA THR A 84 -3.969 8.164 -1.061 1.00 0.00 H new ATOM 0 HB THR A 84 -1.773 10.232 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.395 11.520 -1.883 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.797 10.371 -3.274 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.240 8.778 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.892 8.970 -3.339 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.239 6.362 -1.477 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.333 5.237 -1.494 1.00 0.00 C ATOM 1189 C ILE A 85 -0.993 4.813 -2.917 1.00 0.00 C ATOM 1190 O ILE A 85 -1.859 4.453 -3.698 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.913 4.036 -0.713 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.231 4.414 0.752 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.946 2.862 -0.764 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.254 5.371 1.399 1.00 0.00 C ATOM 0 H ILE A 85 -3.100 6.228 -2.007 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.416 5.563 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.850 3.745 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.226 4.857 0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.267 3.501 1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.365 2.021 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.784 2.569 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.004 3.154 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.566 5.572 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.259 4.927 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.232 6.304 0.837 1.00 0.00 H new ATOM 1206 N GLN A 86 0.283 4.872 -3.230 1.00 0.00 N ATOM 1207 CA GLN A 86 0.815 4.423 -4.506 1.00 0.00 C ATOM 1208 C GLN A 86 0.769 2.895 -4.553 1.00 0.00 C ATOM 1209 O GLN A 86 0.888 2.245 -3.523 1.00 0.00 O ATOM 1210 CB GLN A 86 2.252 4.907 -4.586 1.00 0.00 C ATOM 1211 CG GLN A 86 2.547 5.918 -5.678 1.00 0.00 C ATOM 1212 CD GLN A 86 3.845 6.669 -5.411 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.004 7.823 -5.808 1.00 0.00 O ATOM 1214 NE2 GLN A 86 4.769 6.028 -4.708 1.00 0.00 N ATOM 0 H GLN A 86 0.994 5.239 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 86 0.236 4.814 -5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.521 5.348 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.899 4.042 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.612 5.408 -6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.723 6.628 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.600 5.071 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.648 6.492 -4.479 1.00 0.00 H new ATOM 1223 N THR A 87 0.593 2.319 -5.730 1.00 0.00 N ATOM 1224 CA THR A 87 0.398 0.879 -5.828 1.00 0.00 C ATOM 1225 C THR A 87 1.654 0.108 -6.242 1.00 0.00 C ATOM 1226 O THR A 87 2.364 -0.449 -5.411 1.00 0.00 O ATOM 1227 CB THR A 87 -0.726 0.571 -6.827 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.472 1.246 -8.068 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.056 1.024 -6.277 1.00 0.00 C ATOM 0 H THR A 87 0.581 2.816 -6.621 1.00 0.00 H new ATOM 0 HA THR A 87 0.137 0.545 -4.824 1.00 0.00 H new ATOM 0 HB THR A 87 -0.757 -0.506 -6.994 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.285 0.585 -8.767 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.843 0.799 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.260 0.503 -5.342 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.028 2.098 -6.095 1.00 0.00 H new ATOM 1237 N HIS A 88 1.921 0.126 -7.535 1.00 0.00 N ATOM 1238 CA HIS A 88 2.861 -0.803 -8.183 1.00 0.00 C ATOM 1239 C HIS A 88 4.333 -0.491 -7.935 1.00 0.00 C ATOM 1240 O HIS A 88 5.198 -0.963 -8.662 1.00 0.00 O ATOM 1241 CB HIS A 88 2.588 -0.820 -9.678 1.00 0.00 C ATOM 1242 CG HIS A 88 1.345 -1.564 -10.036 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.086 -1.172 -9.631 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.175 -2.702 -10.739 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.801 -2.044 -10.064 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.168 -2.983 -10.742 1.00 0.00 N ATOM 0 H HIS A 88 1.493 0.789 -8.181 1.00 0.00 H new ATOM 0 HA HIS A 88 2.687 -1.780 -7.732 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.507 0.205 -10.039 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.436 -1.273 -10.191 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.952 -3.284 -11.212 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.866 -1.998 -9.893 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.605 -3.786 -11.194 1.00 0.00 H new ATOM 1255 N GLN A 89 4.616 0.294 -6.923 1.00 0.00 N ATOM 1256 CA GLN A 89 5.983 0.718 -6.645 1.00 0.00 C ATOM 1257 C GLN A 89 6.648 -0.187 -5.609 1.00 0.00 C ATOM 1258 O GLN A 89 7.390 0.287 -4.752 1.00 0.00 O ATOM 1259 CB GLN A 89 6.010 2.173 -6.179 1.00 0.00 C ATOM 1260 CG GLN A 89 4.658 2.850 -6.263 1.00 0.00 C ATOM 1261 CD GLN A 89 4.300 3.243 -7.683 1.00 0.00 C ATOM 1262 OE1 GLN A 89 5.169 3.582 -8.484 1.00 0.00 O ATOM 1263 NE2 GLN A 89 3.023 3.170 -8.009 1.00 0.00 N ATOM 0 H GLN A 89 3.921 0.658 -6.271 1.00 0.00 H new ATOM 0 HA GLN A 89 6.550 0.637 -7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.365 2.212 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.726 2.729 -6.784 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.893 2.180 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.659 3.738 -5.631 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.334 2.884 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.725 3.400 -8.957 1.00 0.00 H new ATOM 1272 N GLU A 90 6.354 -1.483 -5.659 1.00 0.00 N ATOM 1273 CA GLU A 90 6.878 -2.439 -4.678 1.00 0.00 C ATOM 1274 C GLU A 90 8.392 -2.317 -4.506 1.00 0.00 C ATOM 1275 O GLU A 90 8.896 -2.316 -3.376 1.00 0.00 O ATOM 1276 CB GLU A 90 6.519 -3.879 -5.047 1.00 0.00 C ATOM 1277 CG GLU A 90 7.204 -4.436 -6.298 1.00 0.00 C ATOM 1278 CD GLU A 90 6.871 -3.680 -7.567 1.00 0.00 C ATOM 1279 OE1 GLU A 90 5.823 -3.968 -8.181 1.00 0.00 O ATOM 1280 OE2 GLU A 90 7.664 -2.794 -7.958 1.00 0.00 O ATOM 0 H GLU A 90 5.753 -1.900 -6.370 1.00 0.00 H new ATOM 0 HA GLU A 90 6.404 -2.189 -3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.766 -4.523 -4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.440 -3.940 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.283 -4.417 -6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.918 -5.480 -6.423 1.00 0.00 H new ATOM 1287 N GLU A 91 9.092 -2.167 -5.630 1.00 0.00 N ATOM 1288 CA GLU A 91 10.546 -2.012 -5.667 1.00 0.00 C ATOM 1289 C GLU A 91 11.025 -0.938 -4.695 1.00 0.00 C ATOM 1290 O GLU A 91 12.155 -0.990 -4.207 1.00 0.00 O ATOM 1291 CB GLU A 91 11.003 -1.688 -7.094 1.00 0.00 C ATOM 1292 CG GLU A 91 12.459 -1.255 -7.203 1.00 0.00 C ATOM 1293 CD GLU A 91 13.005 -1.420 -8.603 1.00 0.00 C ATOM 1294 OE1 GLU A 91 12.420 -0.862 -9.552 1.00 0.00 O ATOM 1295 OE2 GLU A 91 14.015 -2.132 -8.765 1.00 0.00 O ATOM 0 H GLU A 91 8.659 -2.149 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 91 10.992 -2.956 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.850 -2.567 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.370 -0.896 -7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.549 -0.211 -6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.062 -1.840 -6.509 1.00 0.00 H new ATOM 1302 N ALA A 92 10.157 0.025 -4.417 1.00 0.00 N ATOM 1303 CA ALA A 92 10.530 1.204 -3.651 1.00 0.00 C ATOM 1304 C ALA A 92 11.092 0.818 -2.284 1.00 0.00 C ATOM 1305 O ALA A 92 11.970 1.491 -1.754 1.00 0.00 O ATOM 1306 CB ALA A 92 9.339 2.126 -3.495 1.00 0.00 C ATOM 0 H ALA A 92 9.181 0.011 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 92 11.313 1.731 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.632 3.004 -2.920 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.988 2.437 -4.479 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.538 1.601 -2.974 1.00 0.00 H new ATOM 1312 N LEU A 93 10.572 -0.265 -1.720 1.00 0.00 N ATOM 1313 CA LEU A 93 11.051 -0.775 -0.448 1.00 0.00 C ATOM 1314 C LEU A 93 12.353 -1.558 -0.636 1.00 0.00 C ATOM 1315 O LEU A 93 13.228 -1.538 0.228 1.00 0.00 O ATOM 1316 CB LEU A 93 9.971 -1.667 0.180 1.00 0.00 C ATOM 1317 CG LEU A 93 10.284 -3.161 0.227 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.991 -3.514 1.524 1.00 0.00 C ATOM 1319 CD2 LEU A 93 9.013 -3.978 0.057 1.00 0.00 C ATOM 0 H LEU A 93 9.813 -0.809 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 93 11.258 0.062 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.788 -1.322 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.044 -1.527 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 93 10.952 -3.403 -0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.207 -4.582 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.924 -2.954 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.351 -3.259 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.256 -5.040 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.316 -3.738 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.555 -3.743 -0.904 1.00 0.00 H new ATOM 1331 N TYR A 94 12.473 -2.240 -1.774 1.00 0.00 N ATOM 1332 CA TYR A 94 13.551 -3.205 -1.977 1.00 0.00 C ATOM 1333 C TYR A 94 14.848 -2.536 -2.420 1.00 0.00 C ATOM 1334 O TYR A 94 15.817 -2.481 -1.663 1.00 0.00 O ATOM 1335 CB TYR A 94 13.124 -4.268 -2.996 1.00 0.00 C ATOM 1336 CG TYR A 94 14.195 -5.294 -3.317 1.00 0.00 C ATOM 1337 CD1 TYR A 94 15.107 -5.711 -2.354 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.288 -5.852 -4.587 1.00 0.00 C ATOM 1339 CE1 TYR A 94 16.078 -6.646 -2.645 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.260 -6.790 -4.885 1.00 0.00 C ATOM 1341 CZ TYR A 94 16.152 -7.183 -3.909 1.00 0.00 C ATOM 1342 OH TYR A 94 17.123 -8.116 -4.199 1.00 0.00 O ATOM 0 H TYR A 94 11.839 -2.142 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 94 13.746 -3.682 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.244 -4.786 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.826 -3.770 -3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.054 -5.295 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.590 -5.548 -5.353 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.778 -6.955 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.320 -7.213 -5.877 1.00 0.00 H new ATOM 0 HH TYR A 94 17.038 -8.396 -5.134 1.00 0.00 H new