USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 67 ASN : amide:sc= -0.582! C(o=0.58!,f=-3.4!) USER MOD Set 1.2: A 71 CYS SG : rot 116:sc= 1.16 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= -0.486 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.514 K(o=-1,f=0.81) USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -159:sc= 0.367 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 22:sc= 0.161 USER MOD Single : A 19 GLN : amide:sc= -3.65! K(o=-3.7!,f=-2.8) USER MOD Single : A 20 MET CE :methyl 138:sc= -2.92! (180deg=-7.09!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.092) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= 0.00775 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot -113:sc= -2.44! USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= -2.97! (180deg=-5.42!) USER MOD Single : A 49 THR OG1 : rot 93:sc= -0.77 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000679) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -15.3! C(o=-15!,f=-9.5!) USER MOD Single : A 72 MET CE :methyl -160:sc= 0 (180deg=-0.466) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.753 -16.395 -4.294 1.00 0.00 N ATOM 2 CA ALA A 1 -25.225 -15.024 -4.448 1.00 0.00 C ATOM 3 C ALA A 1 -24.720 -14.139 -3.312 1.00 0.00 C ATOM 4 O ALA A 1 -24.108 -13.097 -3.549 1.00 0.00 O ATOM 5 CB ALA A 1 -26.745 -14.993 -4.508 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.111 -16.976 -5.079 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.713 -16.407 -4.300 1.00 0.00 H new ATOM 0 H3 ALA A 1 -25.098 -16.782 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.827 -14.632 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -27.084 -13.963 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -27.088 -15.585 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -27.154 -15.409 -3.587 1.00 0.00 H new ATOM 11 N LEU A 2 -24.981 -14.561 -2.079 1.00 0.00 N ATOM 12 CA LEU A 2 -24.552 -13.806 -0.907 1.00 0.00 C ATOM 13 C LEU A 2 -23.114 -13.326 -1.063 1.00 0.00 C ATOM 14 O LEU A 2 -22.402 -13.753 -1.972 1.00 0.00 O ATOM 15 CB LEU A 2 -24.683 -14.666 0.352 1.00 0.00 C ATOM 16 CG LEU A 2 -26.078 -14.745 0.970 1.00 0.00 C ATOM 17 CD1 LEU A 2 -26.676 -13.354 1.118 1.00 0.00 C ATOM 18 CD2 LEU A 2 -26.985 -15.629 0.128 1.00 0.00 C ATOM 0 H LEU A 2 -25.487 -15.421 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 2 -25.196 -12.932 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -24.356 -15.678 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -23.996 -14.279 1.105 1.00 0.00 H new ATOM 0 HG LEU A 2 -25.990 -15.188 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -27.670 -13.430 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -26.037 -12.750 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -26.750 -12.884 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -27.974 -15.674 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -27.066 -15.214 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -26.565 -16.633 0.073 1.00 0.00 H new ATOM 30 N ASP A 3 -22.690 -12.440 -0.170 1.00 0.00 N ATOM 31 CA ASP A 3 -21.334 -11.904 -0.205 1.00 0.00 C ATOM 32 C ASP A 3 -21.064 -11.026 1.012 1.00 0.00 C ATOM 33 O ASP A 3 -21.067 -9.797 0.933 1.00 0.00 O ATOM 34 CB ASP A 3 -21.114 -11.102 -1.489 1.00 0.00 C ATOM 35 CG ASP A 3 -19.705 -10.553 -1.594 1.00 0.00 C ATOM 36 OD1 ASP A 3 -19.233 -10.342 -2.731 1.00 0.00 O ATOM 37 OD2 ASP A 3 -19.073 -10.336 -0.539 1.00 0.00 O ATOM 0 H ASP A 3 -23.267 -12.077 0.589 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.637 -12.742 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -21.318 -11.738 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -21.826 -10.277 -1.525 1.00 0.00 H new ATOM 42 N PRO A 4 -20.828 -11.668 2.165 1.00 0.00 N ATOM 43 CA PRO A 4 -20.552 -10.963 3.421 1.00 0.00 C ATOM 44 C PRO A 4 -19.193 -10.273 3.412 1.00 0.00 C ATOM 45 O PRO A 4 -19.074 -9.117 3.001 1.00 0.00 O ATOM 46 CB PRO A 4 -20.577 -12.081 4.467 1.00 0.00 C ATOM 47 CG PRO A 4 -20.235 -13.317 3.709 1.00 0.00 C ATOM 48 CD PRO A 4 -20.808 -13.130 2.332 1.00 0.00 C ATOM 0 HA PRO A 4 -21.273 -10.167 3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.857 -11.894 5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -21.558 -12.163 4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.156 -13.462 3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.657 -14.199 4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.193 -13.613 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -21.808 -13.557 2.252 1.00 0.00 H new ATOM 56 N LEU A 5 -18.169 -10.986 3.868 1.00 0.00 N ATOM 57 CA LEU A 5 -16.816 -10.442 3.912 1.00 0.00 C ATOM 58 C LEU A 5 -16.470 -9.737 2.604 1.00 0.00 C ATOM 59 O LEU A 5 -16.629 -10.302 1.522 1.00 0.00 O ATOM 60 CB LEU A 5 -15.805 -11.556 4.187 1.00 0.00 C ATOM 61 CG LEU A 5 -15.380 -11.731 5.646 1.00 0.00 C ATOM 62 CD1 LEU A 5 -16.598 -11.890 6.542 1.00 0.00 C ATOM 63 CD2 LEU A 5 -14.449 -12.926 5.791 1.00 0.00 C ATOM 0 H LEU A 5 -18.250 -11.943 4.213 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.771 -9.712 4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.228 -12.498 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.913 -11.366 3.590 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.841 -10.836 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.276 -12.013 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.227 -11.004 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.166 -12.767 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.157 -13.035 6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.962 -13.829 5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.560 -12.771 5.180 1.00 0.00 H new ATOM 75 N VAL A 6 -15.993 -8.501 2.711 1.00 0.00 N ATOM 76 CA VAL A 6 -15.620 -7.720 1.538 1.00 0.00 C ATOM 77 C VAL A 6 -15.540 -6.235 1.869 1.00 0.00 C ATOM 78 O VAL A 6 -16.358 -5.711 2.626 1.00 0.00 O ATOM 79 CB VAL A 6 -16.622 -7.925 0.386 1.00 0.00 C ATOM 80 CG1 VAL A 6 -16.954 -6.597 -0.275 1.00 0.00 C ATOM 81 CG2 VAL A 6 -16.071 -8.914 -0.630 1.00 0.00 C ATOM 0 H VAL A 6 -15.856 -8.019 3.599 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.638 -8.072 1.223 1.00 0.00 H new ATOM 0 HB VAL A 6 -17.543 -8.338 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.663 -6.762 -1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -17.394 -5.924 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -16.043 -6.151 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.792 -9.047 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -15.135 -8.532 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.890 -9.873 -0.144 1.00 0.00 H new ATOM 91 N SER A 7 -14.549 -5.559 1.296 1.00 0.00 N ATOM 92 CA SER A 7 -14.359 -4.133 1.534 1.00 0.00 C ATOM 93 C SER A 7 -13.141 -3.614 0.775 1.00 0.00 C ATOM 94 O SER A 7 -13.264 -3.079 -0.328 1.00 0.00 O ATOM 95 CB SER A 7 -14.196 -3.860 3.030 1.00 0.00 C ATOM 96 OG SER A 7 -15.332 -3.194 3.554 1.00 0.00 O ATOM 0 H SER A 7 -13.866 -5.976 0.664 1.00 0.00 H new ATOM 0 HA SER A 7 -15.243 -3.609 1.171 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.045 -4.800 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.306 -3.254 3.197 1.00 0.00 H new ATOM 0 HG SER A 7 -15.088 -2.737 4.386 1.00 0.00 H new ATOM 102 N CYS A 8 -11.966 -3.773 1.374 1.00 0.00 N ATOM 103 CA CYS A 8 -10.725 -3.321 0.758 1.00 0.00 C ATOM 104 C CYS A 8 -10.630 -3.800 -0.688 1.00 0.00 C ATOM 105 O CYS A 8 -11.269 -4.779 -1.073 1.00 0.00 O ATOM 106 CB CYS A 8 -9.521 -3.828 1.554 1.00 0.00 C ATOM 107 SG CYS A 8 -7.946 -3.028 1.110 1.00 0.00 S ATOM 0 H CYS A 8 -11.847 -4.212 2.287 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.722 -2.231 0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.709 -3.671 2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.425 -4.903 1.403 1.00 0.00 H new ATOM 112 N LYS A 9 -9.827 -3.103 -1.485 1.00 0.00 N ATOM 113 CA LYS A 9 -9.645 -3.455 -2.888 1.00 0.00 C ATOM 114 C LYS A 9 -8.177 -3.735 -3.194 1.00 0.00 C ATOM 115 O LYS A 9 -7.856 -4.534 -4.075 1.00 0.00 O ATOM 116 CB LYS A 9 -10.160 -2.331 -3.789 1.00 0.00 C ATOM 117 CG LYS A 9 -11.347 -1.582 -3.208 1.00 0.00 C ATOM 118 CD LYS A 9 -12.493 -1.496 -4.203 1.00 0.00 C ATOM 119 CE LYS A 9 -13.807 -1.169 -3.513 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.888 -0.864 -4.491 1.00 0.00 N ATOM 0 H LYS A 9 -9.291 -2.290 -1.182 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.218 -4.361 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.350 -1.625 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.443 -2.751 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.687 -2.084 -2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.039 -0.577 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.272 -0.732 -4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.586 -2.443 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.109 -2.011 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.666 -0.315 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.767 -0.646 -3.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.612 -0.045 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.041 -1.687 -5.108 1.00 0.00 H new ATOM 134 N LEU A 10 -7.289 -3.072 -2.460 1.00 0.00 N ATOM 135 CA LEU A 10 -5.853 -3.249 -2.651 1.00 0.00 C ATOM 136 C LEU A 10 -5.472 -4.725 -2.573 1.00 0.00 C ATOM 137 O LEU A 10 -4.826 -5.258 -3.475 1.00 0.00 O ATOM 138 CB LEU A 10 -5.077 -2.454 -1.600 1.00 0.00 C ATOM 139 CG LEU A 10 -4.936 -0.954 -1.863 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.698 -0.205 -0.562 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.806 -0.689 -2.847 1.00 0.00 C ATOM 0 H LEU A 10 -7.538 -2.407 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.594 -2.877 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.567 -2.589 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.079 -2.883 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.866 -0.592 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.600 0.861 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.540 -0.368 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.783 -0.570 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.720 0.383 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.869 -1.065 -2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.018 -1.195 -3.789 1.00 0.00 H new ATOM 153 N CYS A 11 -5.879 -5.379 -1.490 1.00 0.00 N ATOM 154 CA CYS A 11 -5.581 -6.792 -1.295 1.00 0.00 C ATOM 155 C CYS A 11 -6.782 -7.657 -1.669 1.00 0.00 C ATOM 156 O CYS A 11 -6.744 -8.881 -1.537 1.00 0.00 O ATOM 157 CB CYS A 11 -5.183 -7.055 0.159 1.00 0.00 C ATOM 158 SG CYS A 11 -6.504 -6.712 1.366 1.00 0.00 S ATOM 0 H CYS A 11 -6.416 -4.953 -0.735 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.748 -7.056 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.877 -8.096 0.258 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.315 -6.443 0.403 1.00 0.00 H new ATOM 163 N LEU A 12 -7.845 -7.013 -2.135 1.00 0.00 N ATOM 164 CA LEU A 12 -9.058 -7.722 -2.530 1.00 0.00 C ATOM 165 C LEU A 12 -9.450 -8.756 -1.477 1.00 0.00 C ATOM 166 O LEU A 12 -9.745 -9.904 -1.802 1.00 0.00 O ATOM 167 CB LEU A 12 -8.854 -8.407 -3.883 1.00 0.00 C ATOM 168 CG LEU A 12 -8.872 -7.491 -5.107 1.00 0.00 C ATOM 169 CD1 LEU A 12 -7.947 -8.028 -6.188 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.290 -7.344 -5.642 1.00 0.00 C ATOM 0 H LEU A 12 -7.893 -6.001 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.864 -6.994 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.900 -8.933 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.631 -9.161 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.514 -6.506 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.972 -7.364 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.929 -8.082 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.276 -9.024 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.284 -6.689 -6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.675 -8.323 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.928 -6.915 -4.869 1.00 0.00 H new ATOM 182 N GLY A 13 -9.453 -8.336 -0.216 1.00 0.00 N ATOM 183 CA GLY A 13 -9.814 -9.236 0.864 1.00 0.00 C ATOM 184 C GLY A 13 -11.222 -8.999 1.371 1.00 0.00 C ATOM 185 O GLY A 13 -12.195 -9.381 0.721 1.00 0.00 O ATOM 0 H GLY A 13 -9.212 -7.389 0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.724 -10.266 0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.110 -9.112 1.687 1.00 0.00 H new ATOM 189 N GLU A 14 -11.333 -8.368 2.535 1.00 0.00 N ATOM 190 CA GLU A 14 -12.634 -8.084 3.129 1.00 0.00 C ATOM 191 C GLU A 14 -12.478 -7.344 4.454 1.00 0.00 C ATOM 192 O GLU A 14 -12.561 -6.116 4.506 1.00 0.00 O ATOM 193 CB GLU A 14 -13.415 -9.381 3.346 1.00 0.00 C ATOM 194 CG GLU A 14 -12.531 -10.581 3.643 1.00 0.00 C ATOM 195 CD GLU A 14 -12.335 -11.475 2.435 1.00 0.00 C ATOM 196 OE1 GLU A 14 -11.168 -11.745 2.081 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.347 -11.904 1.843 1.00 0.00 O ATOM 0 H GLU A 14 -10.538 -8.044 3.086 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.187 -7.446 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -14.113 -9.241 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.010 -9.590 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.559 -10.234 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.974 -11.162 4.452 1.00 0.00 H new ATOM 204 N TYR A 15 -12.250 -8.099 5.523 1.00 0.00 N ATOM 205 CA TYR A 15 -12.085 -7.515 6.850 1.00 0.00 C ATOM 206 C TYR A 15 -13.322 -6.718 7.252 1.00 0.00 C ATOM 207 O TYR A 15 -14.050 -6.187 6.413 1.00 0.00 O ATOM 208 CB TYR A 15 -10.850 -6.614 6.883 1.00 0.00 C ATOM 209 CG TYR A 15 -9.653 -7.201 6.169 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.503 -7.065 4.795 1.00 0.00 C ATOM 211 CD2 TYR A 15 -8.672 -7.893 6.870 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.411 -7.600 4.138 1.00 0.00 C ATOM 213 CE2 TYR A 15 -7.576 -8.430 6.222 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.451 -8.280 4.857 1.00 0.00 C ATOM 215 OH TYR A 15 -6.361 -8.816 4.208 1.00 0.00 O ATOM 0 H TYR A 15 -12.175 -9.116 5.497 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.952 -8.328 7.564 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.098 -5.654 6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.582 -6.416 7.921 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.253 -6.532 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -8.768 -8.013 7.939 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.310 -7.486 3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.822 -8.964 6.781 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.225 -8.349 3.357 1.00 0.00 H new ATOM 225 N PRO A 16 -13.565 -6.628 8.568 1.00 0.00 N ATOM 226 CA PRO A 16 -14.712 -5.896 9.114 1.00 0.00 C ATOM 227 C PRO A 16 -14.573 -4.389 8.939 1.00 0.00 C ATOM 228 O PRO A 16 -13.694 -3.915 8.217 1.00 0.00 O ATOM 229 CB PRO A 16 -14.694 -6.266 10.599 1.00 0.00 C ATOM 230 CG PRO A 16 -13.274 -6.617 10.886 1.00 0.00 C ATOM 231 CD PRO A 16 -12.738 -7.236 9.625 1.00 0.00 C ATOM 0 HA PRO A 16 -15.641 -6.156 8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.029 -5.434 11.218 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.359 -7.105 10.806 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.701 -5.731 11.160 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.205 -7.313 11.722 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.680 -7.013 9.486 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.836 -8.322 9.637 1.00 0.00 H new ATOM 239 N VAL A 17 -15.446 -3.637 9.603 1.00 0.00 N ATOM 240 CA VAL A 17 -15.420 -2.182 9.521 1.00 0.00 C ATOM 241 C VAL A 17 -14.511 -1.588 10.591 1.00 0.00 C ATOM 242 O VAL A 17 -14.178 -0.404 10.548 1.00 0.00 O ATOM 243 CB VAL A 17 -16.832 -1.586 9.674 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.771 -0.243 10.385 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.502 -1.449 8.314 1.00 0.00 C ATOM 0 H VAL A 17 -16.180 -4.012 10.204 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.031 -1.927 8.535 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.430 -2.265 10.282 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.778 0.162 10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.334 -0.375 11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.157 0.447 9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.499 -1.026 8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.907 -0.792 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.581 -2.431 7.847 1.00 0.00 H new ATOM 255 N GLU A 18 -14.113 -2.418 11.550 1.00 0.00 N ATOM 256 CA GLU A 18 -13.243 -1.974 12.632 1.00 0.00 C ATOM 257 C GLU A 18 -11.782 -2.282 12.316 1.00 0.00 C ATOM 258 O GLU A 18 -10.882 -1.913 13.071 1.00 0.00 O ATOM 259 CB GLU A 18 -13.643 -2.645 13.947 1.00 0.00 C ATOM 260 CG GLU A 18 -14.511 -1.770 14.836 1.00 0.00 C ATOM 261 CD GLU A 18 -15.970 -1.785 14.423 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.256 -2.173 13.271 1.00 0.00 O ATOM 263 OE2 GLU A 18 -16.826 -1.406 15.251 1.00 0.00 O ATOM 0 H GLU A 18 -14.379 -3.401 11.599 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.356 -0.895 12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.178 -3.568 13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.741 -2.922 14.493 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.426 -2.110 15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.139 -0.746 14.806 1.00 0.00 H new ATOM 270 N GLN A 19 -11.555 -2.961 11.197 1.00 0.00 N ATOM 271 CA GLN A 19 -10.204 -3.321 10.782 1.00 0.00 C ATOM 272 C GLN A 19 -9.769 -2.499 9.573 1.00 0.00 C ATOM 273 O GLN A 19 -8.730 -2.766 8.970 1.00 0.00 O ATOM 274 CB GLN A 19 -10.128 -4.813 10.453 1.00 0.00 C ATOM 275 CG GLN A 19 -9.895 -5.693 11.669 1.00 0.00 C ATOM 276 CD GLN A 19 -10.116 -7.164 11.377 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.700 -7.888 12.184 1.00 0.00 O ATOM 278 NE2 GLN A 19 -9.652 -7.614 10.217 1.00 0.00 N ATOM 0 H GLN A 19 -12.289 -3.273 10.561 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.528 -3.104 11.609 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.055 -5.117 9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.324 -4.978 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.876 -5.547 12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.564 -5.382 12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.174 -6.979 9.578 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.774 -8.595 9.965 1.00 0.00 H new ATOM 287 N MET A 20 -10.572 -1.498 9.224 1.00 0.00 N ATOM 288 CA MET A 20 -10.269 -0.637 8.087 1.00 0.00 C ATOM 289 C MET A 20 -10.166 0.822 8.523 1.00 0.00 C ATOM 290 O MET A 20 -10.471 1.162 9.666 1.00 0.00 O ATOM 291 CB MET A 20 -11.342 -0.785 7.007 1.00 0.00 C ATOM 292 CG MET A 20 -12.266 -1.972 7.227 1.00 0.00 C ATOM 293 SD MET A 20 -12.984 -2.587 5.691 1.00 0.00 S ATOM 294 CE MET A 20 -11.506 -2.983 4.761 1.00 0.00 C ATOM 0 H MET A 20 -11.436 -1.264 9.712 1.00 0.00 H new ATOM 0 HA MET A 20 -9.307 -0.944 7.676 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.938 0.127 6.971 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.857 -0.888 6.036 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.710 -2.775 7.711 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.067 -1.683 7.908 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.645 -3.933 4.245 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.315 -2.197 4.030 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.658 -3.060 5.441 1.00 0.00 H new ATOM 304 N THR A 21 -9.734 1.680 7.604 1.00 0.00 N ATOM 305 CA THR A 21 -9.591 3.101 7.893 1.00 0.00 C ATOM 306 C THR A 21 -10.051 3.952 6.714 1.00 0.00 C ATOM 307 O THR A 21 -9.692 3.687 5.567 1.00 0.00 O ATOM 308 CB THR A 21 -8.132 3.461 8.232 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.772 2.901 9.500 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.939 4.970 8.264 1.00 0.00 C ATOM 0 H THR A 21 -9.477 1.415 6.653 1.00 0.00 H new ATOM 0 HA THR A 21 -10.221 3.312 8.757 1.00 0.00 H new ATOM 0 HB THR A 21 -7.489 3.046 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.843 3.133 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.901 5.199 8.505 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.186 5.389 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.592 5.404 9.021 1.00 0.00 H new ATOM 318 N THR A 22 -10.848 4.975 7.005 1.00 0.00 N ATOM 319 CA THR A 22 -11.358 5.865 5.969 1.00 0.00 C ATOM 320 C THR A 22 -10.229 6.657 5.320 1.00 0.00 C ATOM 321 O THR A 22 -9.153 6.810 5.899 1.00 0.00 O ATOM 322 CB THR A 22 -12.400 6.848 6.536 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.472 6.125 7.151 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.950 7.745 5.437 1.00 0.00 C ATOM 0 H THR A 22 -11.154 5.208 7.950 1.00 0.00 H new ATOM 0 HA THR A 22 -11.835 5.235 5.218 1.00 0.00 H new ATOM 0 HB THR A 22 -11.910 7.473 7.282 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.129 6.757 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.684 8.431 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.135 8.315 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.426 7.132 4.671 1.00 0.00 H new ATOM 332 N ILE A 23 -10.481 7.158 4.115 1.00 0.00 N ATOM 333 CA ILE A 23 -9.486 7.936 3.389 1.00 0.00 C ATOM 334 C ILE A 23 -9.347 9.337 3.976 1.00 0.00 C ATOM 335 O ILE A 23 -8.481 9.588 4.814 1.00 0.00 O ATOM 336 CB ILE A 23 -9.841 8.051 1.895 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.728 6.685 1.215 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.937 9.066 1.211 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.371 6.037 1.383 1.00 0.00 C ATOM 0 H ILE A 23 -11.366 7.039 3.622 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.538 7.407 3.489 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.871 8.395 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.491 6.022 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.938 6.799 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.201 9.135 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.063 10.041 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.898 8.750 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.363 5.072 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.605 6.680 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.166 5.891 2.444 1.00 0.00 H new ATOM 351 N ALA A 24 -10.208 10.247 3.531 1.00 0.00 N ATOM 352 CA ALA A 24 -10.185 11.622 4.016 1.00 0.00 C ATOM 353 C ALA A 24 -10.941 12.549 3.071 1.00 0.00 C ATOM 354 O ALA A 24 -11.575 13.510 3.507 1.00 0.00 O ATOM 355 CB ALA A 24 -8.749 12.097 4.186 1.00 0.00 C ATOM 0 H ALA A 24 -10.930 10.057 2.836 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.683 11.648 4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.746 13.125 4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.237 11.457 4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.234 12.049 3.227 1.00 0.00 H new ATOM 361 N GLN A 25 -10.871 12.254 1.777 1.00 0.00 N ATOM 362 CA GLN A 25 -11.548 13.064 0.771 1.00 0.00 C ATOM 363 C GLN A 25 -12.698 12.291 0.134 1.00 0.00 C ATOM 364 O GLN A 25 -13.838 12.754 0.117 1.00 0.00 O ATOM 365 CB GLN A 25 -10.559 13.511 -0.307 1.00 0.00 C ATOM 366 CG GLN A 25 -10.083 14.944 -0.139 1.00 0.00 C ATOM 367 CD GLN A 25 -11.194 15.956 -0.351 1.00 0.00 C ATOM 368 OE1 GLN A 25 -11.700 16.115 -1.461 1.00 0.00 O ATOM 369 NE2 GLN A 25 -11.577 16.645 0.717 1.00 0.00 N ATOM 0 H GLN A 25 -10.353 11.460 1.401 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.956 13.945 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.695 12.846 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.028 13.405 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.667 15.070 0.861 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.277 15.141 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.129 16.480 1.618 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.320 17.340 0.636 1.00 0.00 H new ATOM 378 N CYS A 26 -12.391 11.108 -0.390 1.00 0.00 N ATOM 379 CA CYS A 26 -13.396 10.270 -1.029 1.00 0.00 C ATOM 380 C CYS A 26 -14.164 9.454 0.007 1.00 0.00 C ATOM 381 O CYS A 26 -15.342 9.150 -0.176 1.00 0.00 O ATOM 382 CB CYS A 26 -12.740 9.335 -2.046 1.00 0.00 C ATOM 383 SG CYS A 26 -11.419 8.289 -1.351 1.00 0.00 S ATOM 0 H CYS A 26 -11.452 10.709 -0.384 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.100 10.922 -1.546 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.506 8.693 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.326 9.932 -2.859 1.00 0.00 H new ATOM 388 N GLN A 27 -13.485 9.103 1.096 1.00 0.00 N ATOM 389 CA GLN A 27 -14.103 8.322 2.160 1.00 0.00 C ATOM 390 C GLN A 27 -14.224 6.855 1.761 1.00 0.00 C ATOM 391 O GLN A 27 -15.284 6.246 1.910 1.00 0.00 O ATOM 392 CB GLN A 27 -15.484 8.886 2.501 1.00 0.00 C ATOM 393 CG GLN A 27 -15.528 10.405 2.538 1.00 0.00 C ATOM 394 CD GLN A 27 -15.202 10.966 3.908 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.098 11.242 4.707 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.916 11.136 4.188 1.00 0.00 N ATOM 0 H GLN A 27 -12.509 9.347 1.263 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.464 8.388 3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.205 8.528 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.797 8.498 3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.822 10.803 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.520 10.743 2.238 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.207 10.894 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.637 11.509 5.095 1.00 0.00 H new ATOM 405 N CYS A 28 -13.133 6.294 1.249 1.00 0.00 N ATOM 406 CA CYS A 28 -13.117 4.899 0.826 1.00 0.00 C ATOM 407 C CYS A 28 -12.779 3.980 1.996 1.00 0.00 C ATOM 408 O CYS A 28 -12.585 4.438 3.123 1.00 0.00 O ATOM 409 CB CYS A 28 -12.104 4.699 -0.303 1.00 0.00 C ATOM 410 SG CYS A 28 -12.657 5.335 -1.919 1.00 0.00 S ATOM 0 H CYS A 28 -12.249 6.785 1.117 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.112 4.644 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.171 5.192 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.887 3.635 -0.398 1.00 0.00 H new ATOM 415 N ILE A 29 -12.709 2.682 1.720 1.00 0.00 N ATOM 416 CA ILE A 29 -12.393 1.699 2.749 1.00 0.00 C ATOM 417 C ILE A 29 -11.192 0.848 2.346 1.00 0.00 C ATOM 418 O ILE A 29 -11.175 0.249 1.271 1.00 0.00 O ATOM 419 CB ILE A 29 -13.591 0.774 3.031 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.678 0.459 4.525 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.474 -0.507 2.219 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.154 1.624 5.363 1.00 0.00 C ATOM 0 H ILE A 29 -12.867 2.287 0.793 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.154 2.256 3.655 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.506 1.287 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.354 -0.383 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.696 0.145 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.328 -1.150 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.456 -0.264 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.554 -1.026 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.191 1.327 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.465 2.461 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.149 1.925 5.036 1.00 0.00 H new ATOM 434 N PHE A 30 -10.190 0.799 3.218 1.00 0.00 N ATOM 435 CA PHE A 30 -8.985 0.021 2.954 1.00 0.00 C ATOM 436 C PHE A 30 -8.330 -0.426 4.258 1.00 0.00 C ATOM 437 O PHE A 30 -8.084 0.385 5.151 1.00 0.00 O ATOM 438 CB PHE A 30 -7.994 0.840 2.126 1.00 0.00 C ATOM 439 CG PHE A 30 -8.522 1.233 0.775 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.517 0.329 -0.274 1.00 0.00 C ATOM 441 CD2 PHE A 30 -9.022 2.507 0.556 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.002 0.688 -1.518 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.508 2.870 -0.685 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.497 1.961 -1.724 1.00 0.00 C ATOM 0 H PHE A 30 -10.189 1.288 4.113 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.272 -0.866 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.728 1.741 2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.078 0.264 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.130 -0.667 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.032 3.223 1.364 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.994 -0.026 -2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.897 3.865 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.874 2.244 -2.695 1.00 0.00 H new ATOM 454 N CYS A 31 -8.051 -1.721 4.359 1.00 0.00 N ATOM 455 CA CYS A 31 -7.425 -2.278 5.553 1.00 0.00 C ATOM 456 C CYS A 31 -6.101 -1.579 5.848 1.00 0.00 C ATOM 457 O CYS A 31 -5.226 -1.490 4.987 1.00 0.00 O ATOM 458 CB CYS A 31 -7.194 -3.780 5.379 1.00 0.00 C ATOM 459 SG CYS A 31 -5.803 -4.196 4.279 1.00 0.00 S ATOM 0 H CYS A 31 -8.248 -2.405 3.628 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.097 -2.116 6.396 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.015 -4.225 6.358 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.103 -4.233 4.984 1.00 0.00 H new ATOM 464 N THR A 32 -5.960 -1.085 7.075 1.00 0.00 N ATOM 465 CA THR A 32 -4.745 -0.393 7.485 1.00 0.00 C ATOM 466 C THR A 32 -3.516 -0.994 6.812 1.00 0.00 C ATOM 467 O THR A 32 -2.660 -0.272 6.300 1.00 0.00 O ATOM 468 CB THR A 32 -4.557 -0.447 9.013 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.821 -0.292 9.668 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.603 0.643 9.479 1.00 0.00 C ATOM 0 H THR A 32 -6.673 -1.152 7.802 1.00 0.00 H new ATOM 0 HA THR A 32 -4.853 0.647 7.176 1.00 0.00 H new ATOM 0 HB THR A 32 -4.131 -1.417 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.693 -0.329 10.639 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.486 0.585 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.633 0.506 9.001 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.006 1.619 9.209 1.00 0.00 H new ATOM 478 N LEU A 33 -3.436 -2.320 6.815 1.00 0.00 N ATOM 479 CA LEU A 33 -2.311 -3.020 6.204 1.00 0.00 C ATOM 480 C LEU A 33 -1.923 -2.372 4.877 1.00 0.00 C ATOM 481 O LEU A 33 -0.830 -1.822 4.740 1.00 0.00 O ATOM 482 CB LEU A 33 -2.660 -4.492 5.982 1.00 0.00 C ATOM 483 CG LEU A 33 -2.331 -5.441 7.135 1.00 0.00 C ATOM 484 CD1 LEU A 33 -1.030 -6.180 6.862 1.00 0.00 C ATOM 485 CD2 LEU A 33 -2.247 -4.676 8.448 1.00 0.00 C ATOM 0 H LEU A 33 -4.136 -2.932 7.234 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.461 -2.953 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.727 -4.564 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.136 -4.839 5.092 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.132 -6.175 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.811 -6.851 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.126 -6.759 5.944 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.219 -5.460 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.012 -5.367 9.257 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.466 -3.919 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.203 -4.193 8.649 1.00 0.00 H new ATOM 497 N CYS A 34 -2.827 -2.440 3.905 1.00 0.00 N ATOM 498 CA CYS A 34 -2.580 -1.859 2.591 1.00 0.00 C ATOM 499 C CYS A 34 -2.449 -0.341 2.683 1.00 0.00 C ATOM 500 O CYS A 34 -1.411 0.225 2.340 1.00 0.00 O ATOM 501 CB CYS A 34 -3.711 -2.227 1.628 1.00 0.00 C ATOM 502 SG CYS A 34 -4.096 -4.008 1.579 1.00 0.00 S ATOM 0 H CYS A 34 -3.736 -2.891 4.003 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.642 -2.264 2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.609 -1.680 1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.442 -1.897 0.625 1.00 0.00 H new ATOM 507 N LEU A 35 -3.509 0.311 3.147 1.00 0.00 N ATOM 508 CA LEU A 35 -3.515 1.763 3.285 1.00 0.00 C ATOM 509 C LEU A 35 -2.273 2.244 4.029 1.00 0.00 C ATOM 510 O LEU A 35 -1.912 3.420 3.963 1.00 0.00 O ATOM 511 CB LEU A 35 -4.774 2.222 4.022 1.00 0.00 C ATOM 512 CG LEU A 35 -5.158 3.691 3.846 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.625 3.953 2.423 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.237 4.083 4.844 1.00 0.00 C ATOM 0 H LEU A 35 -4.376 -0.143 3.434 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.509 2.197 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.610 1.607 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.639 2.028 5.086 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.276 4.303 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.894 5.004 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.822 3.711 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.494 3.332 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.498 5.132 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.121 3.465 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.866 3.933 5.858 1.00 0.00 H new ATOM 526 N LYS A 36 -1.620 1.327 4.734 1.00 0.00 N ATOM 527 CA LYS A 36 -0.416 1.655 5.488 1.00 0.00 C ATOM 528 C LYS A 36 0.834 1.420 4.646 1.00 0.00 C ATOM 529 O LYS A 36 1.624 2.337 4.423 1.00 0.00 O ATOM 530 CB LYS A 36 -0.346 0.817 6.767 1.00 0.00 C ATOM 531 CG LYS A 36 0.963 0.968 7.522 1.00 0.00 C ATOM 532 CD LYS A 36 1.830 -0.273 7.387 1.00 0.00 C ATOM 533 CE LYS A 36 2.581 -0.571 8.677 1.00 0.00 C ATOM 534 NZ LYS A 36 4.050 -0.658 8.455 1.00 0.00 N ATOM 0 H LYS A 36 -1.905 0.350 4.799 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.461 2.711 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.169 1.101 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.490 -0.233 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.505 1.835 7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.757 1.156 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.206 -1.127 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.542 -0.134 6.574 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.370 0.209 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.221 -1.510 9.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.548 -0.455 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.296 -1.615 8.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.334 0.035 7.734 1.00 0.00 H new ATOM 548 N GLN A 37 1.005 0.187 4.179 1.00 0.00 N ATOM 549 CA GLN A 37 2.159 -0.166 3.361 1.00 0.00 C ATOM 550 C GLN A 37 2.230 0.709 2.114 1.00 0.00 C ATOM 551 O GLN A 37 3.241 0.724 1.411 1.00 0.00 O ATOM 552 CB GLN A 37 2.094 -1.640 2.960 1.00 0.00 C ATOM 553 CG GLN A 37 3.051 -2.526 3.742 1.00 0.00 C ATOM 554 CD GLN A 37 2.424 -3.843 4.152 1.00 0.00 C ATOM 555 OE1 GLN A 37 1.853 -4.557 3.327 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.526 -4.174 5.435 1.00 0.00 N ATOM 0 H GLN A 37 0.359 -0.583 4.353 1.00 0.00 H new ATOM 0 HA GLN A 37 3.058 0.003 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.076 -2.003 3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.316 -1.729 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.936 -2.722 3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.386 -1.995 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.008 -3.553 6.085 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.123 -5.049 5.770 1.00 0.00 H new ATOM 565 N TYR A 38 1.152 1.437 1.845 1.00 0.00 N ATOM 566 CA TYR A 38 1.091 2.314 0.682 1.00 0.00 C ATOM 567 C TYR A 38 1.505 3.735 1.048 1.00 0.00 C ATOM 568 O TYR A 38 2.325 4.351 0.366 1.00 0.00 O ATOM 569 CB TYR A 38 -0.321 2.317 0.094 1.00 0.00 C ATOM 570 CG TYR A 38 -0.828 3.698 -0.255 1.00 0.00 C ATOM 571 CD1 TYR A 38 -2.060 4.144 0.206 1.00 0.00 C ATOM 572 CD2 TYR A 38 -0.075 4.557 -1.047 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.527 5.405 -0.110 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.534 5.821 -1.366 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.761 6.239 -0.896 1.00 0.00 C ATOM 576 OH TYR A 38 -2.222 7.496 -1.214 1.00 0.00 O ATOM 0 H TYR A 38 0.308 1.437 2.417 1.00 0.00 H new ATOM 0 HA TYR A 38 1.788 1.934 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.334 1.697 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.004 1.858 0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.663 3.494 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.885 4.231 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.487 5.736 0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.065 6.477 -1.980 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.402 7.545 -2.176 1.00 0.00 H new ATOM 586 N VAL A 39 0.934 4.251 2.131 1.00 0.00 N ATOM 587 CA VAL A 39 1.244 5.599 2.591 1.00 0.00 C ATOM 588 C VAL A 39 2.526 5.617 3.417 1.00 0.00 C ATOM 589 O VAL A 39 3.426 6.417 3.165 1.00 0.00 O ATOM 590 CB VAL A 39 0.095 6.183 3.434 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.216 6.122 2.665 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.021 5.445 4.760 1.00 0.00 C ATOM 0 H VAL A 39 0.253 3.755 2.707 1.00 0.00 H new ATOM 0 HA VAL A 39 1.380 6.213 1.701 1.00 0.00 H new ATOM 0 HB VAL A 39 0.317 7.229 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.016 6.539 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.125 6.698 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.448 5.085 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.838 5.871 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.220 4.390 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.912 5.545 5.315 1.00 0.00 H new ATOM 602 N GLU A 40 2.599 4.729 4.404 1.00 0.00 N ATOM 603 CA GLU A 40 3.771 4.644 5.268 1.00 0.00 C ATOM 604 C GLU A 40 5.046 4.944 4.485 1.00 0.00 C ATOM 605 O GLU A 40 5.947 5.623 4.979 1.00 0.00 O ATOM 606 CB GLU A 40 3.864 3.255 5.902 1.00 0.00 C ATOM 607 CG GLU A 40 4.701 3.220 7.170 1.00 0.00 C ATOM 608 CD GLU A 40 5.907 2.310 7.047 1.00 0.00 C ATOM 609 OE1 GLU A 40 5.798 1.269 6.366 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.961 2.638 7.634 1.00 0.00 O ATOM 0 H GLU A 40 1.862 4.060 4.625 1.00 0.00 H new ATOM 0 HA GLU A 40 3.665 5.389 6.056 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.859 2.901 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.289 2.561 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.035 4.230 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.081 2.885 8.001 1.00 0.00 H new ATOM 617 N LEU A 41 5.117 4.431 3.261 1.00 0.00 N ATOM 618 CA LEU A 41 6.282 4.643 2.409 1.00 0.00 C ATOM 619 C LEU A 41 6.351 6.090 1.931 1.00 0.00 C ATOM 620 O LEU A 41 7.413 6.711 1.952 1.00 0.00 O ATOM 621 CB LEU A 41 6.237 3.698 1.207 1.00 0.00 C ATOM 622 CG LEU A 41 6.739 2.275 1.454 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.184 2.293 1.930 1.00 0.00 C ATOM 624 CD2 LEU A 41 5.851 1.564 2.465 1.00 0.00 C ATOM 0 H LEU A 41 4.382 3.866 2.837 1.00 0.00 H new ATOM 0 HA LEU A 41 7.175 4.431 2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.208 3.642 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.828 4.136 0.403 1.00 0.00 H new ATOM 0 HG LEU A 41 6.695 1.727 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.524 1.271 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.811 2.762 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.254 2.858 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.223 0.553 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.862 2.111 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.831 1.518 2.084 1.00 0.00 H new ATOM 636 N LEU A 42 5.211 6.619 1.501 1.00 0.00 N ATOM 637 CA LEU A 42 5.141 7.995 1.018 1.00 0.00 C ATOM 638 C LEU A 42 5.146 8.981 2.183 1.00 0.00 C ATOM 639 O LEU A 42 6.045 9.813 2.301 1.00 0.00 O ATOM 640 CB LEU A 42 3.884 8.195 0.171 1.00 0.00 C ATOM 641 CG LEU A 42 3.770 7.320 -1.077 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.313 7.151 -1.480 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.576 7.915 -2.223 1.00 0.00 C ATOM 0 H LEU A 42 4.323 6.117 1.477 1.00 0.00 H new ATOM 0 HA LEU A 42 6.020 8.184 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.013 8.011 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.840 9.240 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 42 4.178 6.336 -0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.252 6.525 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.763 6.679 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.879 8.128 -1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.483 7.278 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.199 8.911 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.625 7.982 -1.934 1.00 0.00 H new ATOM 655 N ILE A 43 4.136 8.880 3.041 1.00 0.00 N ATOM 656 CA ILE A 43 4.026 9.760 4.196 1.00 0.00 C ATOM 657 C ILE A 43 5.394 10.034 4.812 1.00 0.00 C ATOM 658 O ILE A 43 5.617 11.082 5.419 1.00 0.00 O ATOM 659 CB ILE A 43 3.102 9.162 5.274 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.828 9.999 5.405 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.827 9.080 6.609 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.897 9.873 4.218 1.00 0.00 C ATOM 0 H ILE A 43 3.383 8.197 2.957 1.00 0.00 H new ATOM 0 HA ILE A 43 3.597 10.696 3.838 1.00 0.00 H new ATOM 0 HB ILE A 43 2.823 8.152 4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.296 9.697 6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.102 11.046 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.160 8.655 7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.708 8.447 6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.133 10.079 6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.015 10.493 4.380 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.412 10.202 3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.593 8.833 4.103 1.00 0.00 H new ATOM 674 N LYS A 44 6.310 9.085 4.650 1.00 0.00 N ATOM 675 CA LYS A 44 7.659 9.223 5.186 1.00 0.00 C ATOM 676 C LYS A 44 8.516 10.101 4.281 1.00 0.00 C ATOM 677 O LYS A 44 9.265 10.954 4.758 1.00 0.00 O ATOM 678 CB LYS A 44 8.310 7.846 5.344 1.00 0.00 C ATOM 679 CG LYS A 44 8.511 7.432 6.792 1.00 0.00 C ATOM 680 CD LYS A 44 7.207 7.474 7.570 1.00 0.00 C ATOM 681 CE LYS A 44 6.478 6.140 7.510 1.00 0.00 C ATOM 682 NZ LYS A 44 6.300 5.545 8.864 1.00 0.00 N ATOM 0 H LYS A 44 6.142 8.211 4.151 1.00 0.00 H new ATOM 0 HA LYS A 44 7.588 9.699 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.691 7.101 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.276 7.849 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.926 6.425 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.238 8.093 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.410 7.732 8.609 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.567 8.258 7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.503 6.279 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.037 5.448 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.358 4.509 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.047 5.894 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.370 5.816 9.243 1.00 0.00 H new ATOM 696 N GLU A 45 8.400 9.889 2.974 1.00 0.00 N ATOM 697 CA GLU A 45 9.165 10.664 2.004 1.00 0.00 C ATOM 698 C GLU A 45 8.699 12.117 1.979 1.00 0.00 C ATOM 699 O GLU A 45 9.407 13.015 2.432 1.00 0.00 O ATOM 700 CB GLU A 45 9.031 10.049 0.609 1.00 0.00 C ATOM 701 CG GLU A 45 10.331 10.040 -0.180 1.00 0.00 C ATOM 702 CD GLU A 45 10.304 9.059 -1.336 1.00 0.00 C ATOM 703 OE1 GLU A 45 9.408 8.190 -1.355 1.00 0.00 O ATOM 704 OE2 GLU A 45 11.179 9.162 -2.221 1.00 0.00 O ATOM 0 H GLU A 45 7.784 9.188 2.563 1.00 0.00 H new ATOM 0 HA GLU A 45 10.213 10.643 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.667 9.026 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.279 10.603 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.526 11.042 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.155 9.787 0.487 1.00 0.00 H new ATOM 711 N GLY A 46 7.502 12.339 1.445 1.00 0.00 N ATOM 712 CA GLY A 46 6.962 13.684 1.370 1.00 0.00 C ATOM 713 C GLY A 46 7.332 14.386 0.078 1.00 0.00 C ATOM 714 O GLY A 46 6.700 15.371 -0.305 1.00 0.00 O ATOM 0 H GLY A 46 6.897 11.612 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.876 13.642 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.329 14.267 2.215 1.00 0.00 H new ATOM 718 N LEU A 47 8.360 13.880 -0.595 1.00 0.00 N ATOM 719 CA LEU A 47 8.815 14.466 -1.851 1.00 0.00 C ATOM 720 C LEU A 47 7.631 14.874 -2.721 1.00 0.00 C ATOM 721 O LEU A 47 7.608 15.971 -3.279 1.00 0.00 O ATOM 722 CB LEU A 47 9.701 13.475 -2.607 1.00 0.00 C ATOM 723 CG LEU A 47 8.972 12.448 -3.475 1.00 0.00 C ATOM 724 CD1 LEU A 47 9.945 11.759 -4.418 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.256 11.426 -2.604 1.00 0.00 C ATOM 0 H LEU A 47 8.894 13.065 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 47 9.396 15.359 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.383 14.040 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.313 12.939 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 47 8.227 12.971 -4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.408 11.032 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.411 12.501 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.714 11.249 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.743 10.703 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.983 10.908 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.529 11.934 -1.971 1.00 0.00 H new ATOM 737 N GLU A 48 6.650 13.985 -2.832 1.00 0.00 N ATOM 738 CA GLU A 48 5.462 14.255 -3.634 1.00 0.00 C ATOM 739 C GLU A 48 4.462 13.106 -3.530 1.00 0.00 C ATOM 740 O GLU A 48 4.392 12.419 -2.511 1.00 0.00 O ATOM 741 CB GLU A 48 5.848 14.477 -5.098 1.00 0.00 C ATOM 742 CG GLU A 48 6.218 13.200 -5.832 1.00 0.00 C ATOM 743 CD GLU A 48 5.590 13.115 -7.208 1.00 0.00 C ATOM 744 OE1 GLU A 48 5.378 11.984 -7.695 1.00 0.00 O ATOM 745 OE2 GLU A 48 5.311 14.178 -7.801 1.00 0.00 O ATOM 0 H GLU A 48 6.654 13.072 -2.377 1.00 0.00 H new ATOM 0 HA GLU A 48 4.992 15.159 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.016 14.955 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.690 15.168 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.302 13.142 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.903 12.341 -5.240 1.00 0.00 H new ATOM 752 N THR A 49 3.689 12.904 -4.592 1.00 0.00 N ATOM 753 CA THR A 49 2.692 11.841 -4.620 1.00 0.00 C ATOM 754 C THR A 49 1.389 12.291 -3.969 1.00 0.00 C ATOM 755 O THR A 49 0.312 11.810 -4.316 1.00 0.00 O ATOM 756 CB THR A 49 3.200 10.575 -3.905 1.00 0.00 C ATOM 757 OG1 THR A 49 4.594 10.388 -4.172 1.00 0.00 O ATOM 758 CG2 THR A 49 2.422 9.349 -4.358 1.00 0.00 C ATOM 0 H THR A 49 3.734 13.463 -5.444 1.00 0.00 H new ATOM 0 HA THR A 49 2.509 11.608 -5.669 1.00 0.00 H new ATOM 0 HB THR A 49 3.050 10.705 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.122 10.814 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.798 8.467 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.365 9.483 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.544 9.217 -5.433 1.00 0.00 H new ATOM 766 N ALA A 50 1.496 13.218 -3.021 1.00 0.00 N ATOM 767 CA ALA A 50 0.326 13.735 -2.324 1.00 0.00 C ATOM 768 C ALA A 50 -0.534 12.600 -1.778 1.00 0.00 C ATOM 769 O ALA A 50 -1.699 12.801 -1.437 1.00 0.00 O ATOM 770 CB ALA A 50 -0.493 14.621 -3.251 1.00 0.00 C ATOM 0 H ALA A 50 2.381 13.625 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 50 0.672 14.332 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.364 15.000 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.118 15.458 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.821 14.041 -4.113 1.00 0.00 H new ATOM 776 N ILE A 51 0.050 11.408 -1.697 1.00 0.00 N ATOM 777 CA ILE A 51 -0.664 10.243 -1.192 1.00 0.00 C ATOM 778 C ILE A 51 -2.139 10.293 -1.573 1.00 0.00 C ATOM 779 O ILE A 51 -2.979 10.728 -0.786 1.00 0.00 O ATOM 780 CB ILE A 51 -0.543 10.128 0.339 1.00 0.00 C ATOM 781 CG1 ILE A 51 0.923 9.978 0.747 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.365 8.953 0.849 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.790 11.145 0.331 1.00 0.00 C ATOM 0 H ILE A 51 1.014 11.225 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.203 9.368 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.933 11.041 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.980 9.862 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.322 9.064 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.269 8.885 1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.412 9.100 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.003 8.031 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.816 10.969 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.764 11.249 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.416 12.059 0.793 1.00 0.00 H new ATOM 795 N SER A 52 -2.448 9.843 -2.785 1.00 0.00 N ATOM 796 CA SER A 52 -3.823 9.839 -3.271 1.00 0.00 C ATOM 797 C SER A 52 -4.445 8.453 -3.128 1.00 0.00 C ATOM 798 O SER A 52 -3.744 7.441 -3.133 1.00 0.00 O ATOM 799 CB SER A 52 -3.869 10.283 -4.735 1.00 0.00 C ATOM 800 OG SER A 52 -5.097 10.924 -5.034 1.00 0.00 O ATOM 0 H SER A 52 -1.765 9.477 -3.448 1.00 0.00 H new ATOM 0 HA SER A 52 -4.399 10.541 -2.667 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.041 10.962 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.739 9.418 -5.385 1.00 0.00 H new ATOM 0 HG SER A 52 -5.102 11.200 -5.974 1.00 0.00 H new ATOM 806 N CYS A 53 -5.768 8.415 -3.002 1.00 0.00 N ATOM 807 CA CYS A 53 -6.487 7.156 -2.858 1.00 0.00 C ATOM 808 C CYS A 53 -5.811 6.048 -3.660 1.00 0.00 C ATOM 809 O CYS A 53 -5.414 6.235 -4.810 1.00 0.00 O ATOM 810 CB CYS A 53 -7.938 7.318 -3.312 1.00 0.00 C ATOM 811 SG CYS A 53 -8.937 5.801 -3.171 1.00 0.00 S ATOM 0 H CYS A 53 -6.363 9.243 -2.997 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.473 6.877 -1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.407 8.105 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.947 7.651 -4.350 1.00 0.00 H new ATOM 816 N PRO A 54 -5.678 4.866 -3.042 1.00 0.00 N ATOM 817 CA PRO A 54 -5.052 3.704 -3.680 1.00 0.00 C ATOM 818 C PRO A 54 -5.907 3.130 -4.804 1.00 0.00 C ATOM 819 O PRO A 54 -5.555 2.117 -5.410 1.00 0.00 O ATOM 820 CB PRO A 54 -4.927 2.695 -2.535 1.00 0.00 C ATOM 821 CG PRO A 54 -6.000 3.077 -1.575 1.00 0.00 C ATOM 822 CD PRO A 54 -6.131 4.571 -1.671 1.00 0.00 C ATOM 0 HA PRO A 54 -4.101 3.959 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.060 1.673 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.943 2.745 -2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.940 2.586 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.742 2.773 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.159 4.895 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.516 5.077 -0.927 1.00 0.00 H new ATOM 830 N ASP A 55 -7.031 3.783 -5.079 1.00 0.00 N ATOM 831 CA ASP A 55 -7.936 3.338 -6.133 1.00 0.00 C ATOM 832 C ASP A 55 -7.919 4.309 -7.309 1.00 0.00 C ATOM 833 O ASP A 55 -8.738 5.225 -7.381 1.00 0.00 O ATOM 834 CB ASP A 55 -9.358 3.199 -5.590 1.00 0.00 C ATOM 835 CG ASP A 55 -10.229 2.318 -6.463 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.861 1.387 -5.923 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.279 2.562 -7.687 1.00 0.00 O ATOM 0 H ASP A 55 -7.337 4.622 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.594 2.364 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.320 2.783 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.811 4.187 -5.510 1.00 0.00 H new ATOM 842 N ALA A 56 -6.982 4.104 -8.228 1.00 0.00 N ATOM 843 CA ALA A 56 -6.860 4.961 -9.401 1.00 0.00 C ATOM 844 C ALA A 56 -8.196 5.099 -10.121 1.00 0.00 C ATOM 845 O ALA A 56 -8.383 6.002 -10.937 1.00 0.00 O ATOM 846 CB ALA A 56 -5.802 4.412 -10.347 1.00 0.00 C ATOM 0 H ALA A 56 -6.295 3.351 -8.183 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.554 5.952 -9.067 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.721 5.061 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.841 4.372 -9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.085 3.409 -10.667 1.00 0.00 H new ATOM 852 N ALA A 57 -9.124 4.198 -9.815 1.00 0.00 N ATOM 853 CA ALA A 57 -10.444 4.220 -10.433 1.00 0.00 C ATOM 854 C ALA A 57 -11.476 4.844 -9.499 1.00 0.00 C ATOM 855 O ALA A 57 -12.670 4.554 -9.594 1.00 0.00 O ATOM 856 CB ALA A 57 -10.867 2.813 -10.826 1.00 0.00 C ATOM 0 H ALA A 57 -8.986 3.444 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.387 4.834 -11.332 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.855 2.845 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.149 2.402 -11.536 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.901 2.182 -9.938 1.00 0.00 H new ATOM 862 N CYS A 58 -11.010 5.702 -8.597 1.00 0.00 N ATOM 863 CA CYS A 58 -11.892 6.366 -7.645 1.00 0.00 C ATOM 864 C CYS A 58 -12.639 7.519 -8.309 1.00 0.00 C ATOM 865 O CYS A 58 -12.061 8.333 -9.029 1.00 0.00 O ATOM 866 CB CYS A 58 -11.089 6.884 -6.450 1.00 0.00 C ATOM 867 SG CYS A 58 -12.112 7.376 -5.025 1.00 0.00 S ATOM 0 H CYS A 58 -10.026 5.954 -8.506 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.623 5.637 -7.294 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.390 6.110 -6.132 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.494 7.739 -6.769 1.00 0.00 H new ATOM 872 N PRO A 59 -13.955 7.591 -8.062 1.00 0.00 N ATOM 873 CA PRO A 59 -14.811 8.640 -8.624 1.00 0.00 C ATOM 874 C PRO A 59 -14.522 10.010 -8.019 1.00 0.00 C ATOM 875 O PRO A 59 -14.920 11.039 -8.566 1.00 0.00 O ATOM 876 CB PRO A 59 -16.224 8.180 -8.259 1.00 0.00 C ATOM 877 CG PRO A 59 -16.045 7.329 -7.050 1.00 0.00 C ATOM 878 CD PRO A 59 -14.710 6.654 -7.213 1.00 0.00 C ATOM 0 HA PRO A 59 -14.653 8.764 -9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.876 9.029 -8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.680 7.619 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.070 7.931 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.846 6.595 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.219 6.497 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.809 5.676 -7.684 1.00 0.00 H new ATOM 886 N LYS A 60 -13.827 10.016 -6.886 1.00 0.00 N ATOM 887 CA LYS A 60 -13.483 11.259 -6.206 1.00 0.00 C ATOM 888 C LYS A 60 -11.980 11.352 -5.970 1.00 0.00 C ATOM 889 O LYS A 60 -11.461 12.415 -5.630 1.00 0.00 O ATOM 890 CB LYS A 60 -14.227 11.357 -4.872 1.00 0.00 C ATOM 891 CG LYS A 60 -15.679 11.781 -5.015 1.00 0.00 C ATOM 892 CD LYS A 60 -16.272 12.196 -3.679 1.00 0.00 C ATOM 893 CE LYS A 60 -17.689 12.728 -3.840 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.649 11.647 -4.196 1.00 0.00 N ATOM 0 H LYS A 60 -13.491 9.173 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.784 12.089 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.187 10.390 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.711 12.070 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.749 12.610 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.260 10.959 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.277 11.343 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.644 12.962 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.006 13.204 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.703 13.496 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.606 12.046 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.371 11.220 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.642 10.918 -3.454 1.00 0.00 H new ATOM 908 N GLN A 61 -11.286 10.233 -6.152 1.00 0.00 N ATOM 909 CA GLN A 61 -9.842 10.190 -5.959 1.00 0.00 C ATOM 910 C GLN A 61 -9.416 11.122 -4.830 1.00 0.00 C ATOM 911 O GLN A 61 -8.639 12.053 -5.039 1.00 0.00 O ATOM 912 CB GLN A 61 -9.121 10.574 -7.253 1.00 0.00 C ATOM 913 CG GLN A 61 -9.714 9.929 -8.495 1.00 0.00 C ATOM 914 CD GLN A 61 -8.894 10.199 -9.741 1.00 0.00 C ATOM 915 OE1 GLN A 61 -9.272 11.017 -10.581 1.00 0.00 O ATOM 916 NE2 GLN A 61 -7.766 9.511 -9.868 1.00 0.00 N ATOM 0 H GLN A 61 -11.701 9.344 -6.433 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.567 9.171 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.150 11.658 -7.367 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.072 10.290 -7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.789 8.853 -8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.728 10.301 -8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.492 8.843 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.173 9.650 -10.686 1.00 0.00 H new ATOM 925 N GLY A 62 -9.930 10.864 -3.631 1.00 0.00 N ATOM 926 CA GLY A 62 -9.592 11.689 -2.486 1.00 0.00 C ATOM 927 C GLY A 62 -8.142 11.535 -2.068 1.00 0.00 C ATOM 928 O GLY A 62 -7.594 10.432 -2.097 1.00 0.00 O ATOM 0 H GLY A 62 -10.574 10.099 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.789 12.734 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.238 11.426 -1.649 1.00 0.00 H new ATOM 932 N HIS A 63 -7.518 12.643 -1.681 1.00 0.00 N ATOM 933 CA HIS A 63 -6.122 12.626 -1.257 1.00 0.00 C ATOM 934 C HIS A 63 -6.016 12.424 0.251 1.00 0.00 C ATOM 935 O HIS A 63 -7.003 12.549 0.977 1.00 0.00 O ATOM 936 CB HIS A 63 -5.429 13.929 -1.659 1.00 0.00 C ATOM 937 CG HIS A 63 -5.244 14.076 -3.138 1.00 0.00 C ATOM 938 ND1 HIS A 63 -6.036 14.891 -3.918 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.347 13.510 -3.979 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.637 14.818 -5.175 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.612 13.986 -5.238 1.00 0.00 N ATOM 0 H HIS A 63 -7.956 13.564 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.627 11.792 -1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.013 14.771 -1.289 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.455 13.978 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.567 12.813 -3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.074 15.348 -6.009 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.101 13.738 -6.085 1.00 0.00 H new ATOM 949 N LEU A 64 -4.812 12.109 0.718 1.00 0.00 N ATOM 950 CA LEU A 64 -4.575 11.889 2.140 1.00 0.00 C ATOM 951 C LEU A 64 -3.561 12.888 2.685 1.00 0.00 C ATOM 952 O LEU A 64 -2.781 13.469 1.930 1.00 0.00 O ATOM 953 CB LEU A 64 -4.082 10.461 2.379 1.00 0.00 C ATOM 954 CG LEU A 64 -5.114 9.350 2.173 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.455 8.114 1.582 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.804 9.014 3.487 1.00 0.00 C ATOM 0 H LEU A 64 -3.985 12.000 0.131 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.518 12.035 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.238 10.273 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.705 10.394 3.400 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.868 9.705 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.204 7.334 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.008 8.365 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.680 7.756 2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.535 8.222 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.062 8.678 4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.310 9.901 3.869 1.00 0.00 H new ATOM 968 N GLN A 65 -3.575 13.081 4.000 1.00 0.00 N ATOM 969 CA GLN A 65 -2.654 14.009 4.646 1.00 0.00 C ATOM 970 C GLN A 65 -1.308 13.342 4.913 1.00 0.00 C ATOM 971 O GLN A 65 -1.185 12.120 4.838 1.00 0.00 O ATOM 972 CB GLN A 65 -3.252 14.524 5.956 1.00 0.00 C ATOM 973 CG GLN A 65 -4.740 14.249 6.095 1.00 0.00 C ATOM 974 CD GLN A 65 -5.029 12.861 6.633 1.00 0.00 C ATOM 975 OE1 GLN A 65 -6.098 12.609 7.189 1.00 0.00 O ATOM 976 NE2 GLN A 65 -4.075 11.953 6.471 1.00 0.00 N ATOM 0 H GLN A 65 -4.214 12.607 4.639 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.494 14.851 3.973 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.726 14.063 6.792 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.081 15.598 6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.182 14.991 6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.219 14.365 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.204 12.206 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.213 11.002 6.813 1.00 0.00 H new ATOM 985 N GLU A 66 -0.304 14.154 5.227 1.00 0.00 N ATOM 986 CA GLU A 66 1.032 13.642 5.505 1.00 0.00 C ATOM 987 C GLU A 66 1.212 13.368 6.996 1.00 0.00 C ATOM 988 O GLU A 66 1.975 12.487 7.388 1.00 0.00 O ATOM 989 CB GLU A 66 2.093 14.636 5.028 1.00 0.00 C ATOM 990 CG GLU A 66 2.796 14.210 3.750 1.00 0.00 C ATOM 991 CD GLU A 66 3.122 15.382 2.845 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.602 15.415 1.710 1.00 0.00 O ATOM 993 OE2 GLU A 66 3.897 16.264 3.269 1.00 0.00 O ATOM 0 H GLU A 66 -0.390 15.168 5.295 1.00 0.00 H new ATOM 0 HA GLU A 66 1.152 12.704 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.624 15.607 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.836 14.767 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.717 13.685 4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.165 13.504 3.211 1.00 0.00 H new ATOM 1000 N ASN A 67 0.499 14.130 7.821 1.00 0.00 N ATOM 1001 CA ASN A 67 0.579 13.969 9.269 1.00 0.00 C ATOM 1002 C ASN A 67 -0.491 13.005 9.770 1.00 0.00 C ATOM 1003 O ASN A 67 -0.180 11.951 10.322 1.00 0.00 O ATOM 1004 CB ASN A 67 0.426 15.325 9.961 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.656 15.312 11.024 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.477 14.741 12.100 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.787 15.940 10.726 1.00 0.00 N ATOM 0 H ASN A 67 -0.139 14.863 7.512 1.00 0.00 H new ATOM 0 HA ASN A 67 1.557 13.553 9.511 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.375 15.607 10.416 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.191 16.086 9.216 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.551 15.962 11.401 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.892 16.400 9.822 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.753 13.375 9.571 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.869 12.542 10.003 1.00 0.00 C ATOM 1016 C GLU A 68 -2.582 11.067 9.739 1.00 0.00 C ATOM 1017 O GLU A 68 -2.918 10.204 10.550 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.153 12.960 9.284 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.198 13.563 10.206 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.176 12.532 10.735 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.717 11.489 11.246 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.398 12.769 10.639 1.00 0.00 O ATOM 0 H GLU A 68 -2.027 14.245 9.114 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.999 12.682 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.905 13.683 8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.580 12.090 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.700 14.049 11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.747 14.337 9.669 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.958 10.787 8.599 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.625 9.417 8.228 1.00 0.00 C ATOM 1031 C ILE A 69 -0.431 8.906 9.029 1.00 0.00 C ATOM 1032 O ILE A 69 -0.564 7.995 9.845 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.308 9.301 6.726 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.595 9.391 5.902 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.577 7.999 6.436 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.603 8.481 4.695 1.00 0.00 C ATOM 0 H ILE A 69 -1.673 11.490 7.917 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.500 8.807 8.454 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.658 10.129 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.443 9.143 6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.735 10.420 5.572 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.361 7.933 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.357 7.973 6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.202 7.157 6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.545 8.597 4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.775 8.743 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.495 7.446 5.019 1.00 0.00 H new ATOM 1048 N GLU A 70 0.734 9.500 8.790 1.00 0.00 N ATOM 1049 CA GLU A 70 1.950 9.104 9.489 1.00 0.00 C ATOM 1050 C GLU A 70 1.685 8.921 10.981 1.00 0.00 C ATOM 1051 O GLU A 70 2.404 8.193 11.665 1.00 0.00 O ATOM 1052 CB GLU A 70 3.048 10.149 9.279 1.00 0.00 C ATOM 1053 CG GLU A 70 3.109 11.196 10.379 1.00 0.00 C ATOM 1054 CD GLU A 70 4.227 12.199 10.167 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.422 13.063 11.048 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.906 12.120 9.123 1.00 0.00 O ATOM 0 H GLU A 70 0.861 10.257 8.118 1.00 0.00 H new ATOM 0 HA GLU A 70 2.282 8.151 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.012 9.644 9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.886 10.647 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.156 11.724 10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.247 10.701 11.340 1.00 0.00 H new ATOM 1063 N CYS A 71 0.648 9.588 11.477 1.00 0.00 N ATOM 1064 CA CYS A 71 0.289 9.500 12.888 1.00 0.00 C ATOM 1065 C CYS A 71 -0.261 8.118 13.224 1.00 0.00 C ATOM 1066 O CYS A 71 0.047 7.556 14.275 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.745 10.572 13.239 1.00 0.00 C ATOM 1068 SG CYS A 71 -0.030 12.187 13.631 1.00 0.00 S ATOM 0 H CYS A 71 0.042 10.194 10.924 1.00 0.00 H new ATOM 0 HA CYS A 71 1.190 9.666 13.478 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.434 10.685 12.402 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.332 10.230 14.091 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.417 13.059 12.748 1.00 0.00 H new ATOM 1074 N MET A 72 -1.077 7.577 12.326 1.00 0.00 N ATOM 1075 CA MET A 72 -1.670 6.260 12.529 1.00 0.00 C ATOM 1076 C MET A 72 -0.657 5.158 12.236 1.00 0.00 C ATOM 1077 O MET A 72 -0.999 3.974 12.225 1.00 0.00 O ATOM 1078 CB MET A 72 -2.900 6.088 11.636 1.00 0.00 C ATOM 1079 CG MET A 72 -2.593 5.445 10.294 1.00 0.00 C ATOM 1080 SD MET A 72 -3.890 5.731 9.073 1.00 0.00 S ATOM 1081 CE MET A 72 -3.171 4.951 7.629 1.00 0.00 C ATOM 0 H MET A 72 -1.343 8.029 11.451 1.00 0.00 H new ATOM 0 HA MET A 72 -1.974 6.182 13.573 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.637 5.480 12.160 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.355 7.064 11.466 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.650 5.838 9.915 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.459 4.372 10.432 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.655 5.333 6.730 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.104 5.172 7.589 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.316 3.872 7.688 1.00 0.00 H new ATOM 1091 N VAL A 73 0.589 5.553 11.999 1.00 0.00 N ATOM 1092 CA VAL A 73 1.652 4.597 11.708 1.00 0.00 C ATOM 1093 C VAL A 73 2.925 4.941 12.472 1.00 0.00 C ATOM 1094 O VAL A 73 3.333 4.215 13.377 1.00 0.00 O ATOM 1095 CB VAL A 73 1.967 4.551 10.201 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.200 3.422 9.528 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.644 5.887 9.549 1.00 0.00 C ATOM 0 H VAL A 73 0.888 6.528 12.003 1.00 0.00 H new ATOM 0 HA VAL A 73 1.294 3.618 12.027 1.00 0.00 H new ATOM 0 HB VAL A 73 3.033 4.359 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.436 3.406 8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.484 2.471 9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.130 3.580 9.660 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.872 5.837 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.586 6.111 9.683 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.242 6.672 10.012 1.00 0.00 H new ATOM 1107 N ALA A 74 3.549 6.055 12.101 1.00 0.00 N ATOM 1108 CA ALA A 74 4.775 6.497 12.754 1.00 0.00 C ATOM 1109 C ALA A 74 4.485 7.564 13.803 1.00 0.00 C ATOM 1110 O ALA A 74 5.110 8.623 13.816 1.00 0.00 O ATOM 1111 CB ALA A 74 5.761 7.024 11.722 1.00 0.00 C ATOM 0 H ALA A 74 3.225 6.667 11.352 1.00 0.00 H new ATOM 0 HA ALA A 74 5.218 5.639 13.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.672 7.351 12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.001 6.233 11.011 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.317 7.866 11.191 1.00 0.00 H new ATOM 1117 N ALA A 75 3.530 7.278 14.682 1.00 0.00 N ATOM 1118 CA ALA A 75 3.158 8.212 15.737 1.00 0.00 C ATOM 1119 C ALA A 75 4.371 8.989 16.237 1.00 0.00 C ATOM 1120 O ALA A 75 4.327 10.218 16.271 1.00 0.00 O ATOM 1121 CB ALA A 75 2.493 7.471 16.889 1.00 0.00 C ATOM 0 H ALA A 75 3.000 6.407 14.684 1.00 0.00 H new ATOM 0 HA ALA A 75 2.448 8.926 15.320 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.221 8.181 17.670 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.596 6.967 16.528 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.185 6.733 17.295 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.372 -4.476 2.038 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -11.112 6.691 -3.019 1.00 0.00 ZN