USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 ARG N :NH3+ -172:sc= -0.644 (180deg=-0.657) USER MOD Single : A 10 SER OG : rot -54:sc= 0.354 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 98:sc= -0.0513! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0173 USER MOD Single : A 24 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.2) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.446 F(o=-3!,f=-0.45) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.15) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00409 USER MOD Single : A 31 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0074 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 41:sc= 0.27 USER MOD Single : A 36 SER OG : rot -157:sc= 0.729 USER MOD Single : A 41 ASN : amide:sc= 0.667 K(o=0.67,f=-5.3!) USER MOD Single : A 43 ASN : amide:sc= -1.43! C(o=-1.4!,f=-4.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.65) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.912 -5.909 2.538 1.00 0.00 N ATOM 2 CA ARG A 1 10.529 -5.410 2.613 1.00 0.00 C ATOM 3 C ARG A 1 9.704 -6.428 3.402 1.00 0.00 C ATOM 4 O ARG A 1 9.785 -7.619 3.112 1.00 0.00 O ATOM 5 CB ARG A 1 9.890 -5.211 1.224 1.00 0.00 C ATOM 6 CG ARG A 1 10.483 -6.023 0.059 1.00 0.00 C ATOM 7 CD ARG A 1 11.810 -5.443 -0.468 1.00 0.00 C ATOM 8 NE ARG A 1 12.920 -6.408 -0.567 1.00 0.00 N ATOM 9 CZ ARG A 1 13.163 -7.203 -1.627 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.270 -7.315 -2.609 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.289 -7.904 -1.701 1.00 0.00 N ATOM 0 H1 ARG A 1 12.524 -5.176 2.126 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.249 -6.144 3.494 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.942 -6.760 1.941 1.00 0.00 H new ATOM 0 HA ARG A 1 10.545 -4.434 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.830 -5.454 1.301 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.957 -4.153 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.647 -7.050 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.760 -6.059 -0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.634 -5.013 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.116 -4.626 0.186 1.00 0.00 H new ATOM 0 HE ARG A 1 13.553 -6.479 0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.393 -6.796 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.463 -7.920 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.978 -7.843 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.465 -8.503 -2.507 1.00 0.00 H new ATOM 25 N PRO A 2 8.914 -6.007 4.392 1.00 0.00 N ATOM 26 CA PRO A 2 8.092 -6.921 5.168 1.00 0.00 C ATOM 27 C PRO A 2 6.982 -7.506 4.285 1.00 0.00 C ATOM 28 O PRO A 2 6.457 -6.834 3.388 1.00 0.00 O ATOM 29 CB PRO A 2 7.530 -6.070 6.305 1.00 0.00 C ATOM 30 CG PRO A 2 7.507 -4.660 5.720 1.00 0.00 C ATOM 31 CD PRO A 2 8.743 -4.639 4.833 1.00 0.00 C ATOM 0 HA PRO A 2 8.650 -7.774 5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.533 -6.399 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.157 -6.125 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.597 -4.474 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.556 -3.899 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.609 -3.966 3.986 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.617 -4.290 5.383 1.00 0.00 H new ATOM 39 N ARG A 3 6.554 -8.734 4.586 1.00 0.00 N ATOM 40 CA ARG A 3 5.504 -9.445 3.846 1.00 0.00 C ATOM 41 C ARG A 3 4.162 -8.714 3.786 1.00 0.00 C ATOM 42 O ARG A 3 3.358 -8.996 2.911 1.00 0.00 O ATOM 43 CB ARG A 3 5.314 -10.878 4.394 1.00 0.00 C ATOM 44 CG ARG A 3 4.522 -11.009 5.715 1.00 0.00 C ATOM 45 CD ARG A 3 5.094 -10.206 6.887 1.00 0.00 C ATOM 46 NE ARG A 3 6.485 -10.598 7.164 1.00 0.00 N ATOM 47 CZ ARG A 3 7.451 -9.848 7.698 1.00 0.00 C ATOM 48 NH1 ARG A 3 7.178 -8.679 8.265 1.00 0.00 N ATOM 49 NH2 ARG A 3 8.700 -10.266 7.573 1.00 0.00 N ATOM 0 H ARG A 3 6.933 -9.273 5.364 1.00 0.00 H new ATOM 0 HA ARG A 3 5.862 -9.489 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.808 -11.471 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.299 -11.321 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.495 -10.689 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.484 -12.061 5.997 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.051 -9.141 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.483 -10.366 7.775 1.00 0.00 H new ATOM 0 HE ARG A 3 6.741 -11.555 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.216 -8.340 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.930 -8.120 8.668 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.900 -11.137 7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.463 -9.718 7.969 1.00 0.00 H new ATOM 63 N PHE A 4 3.880 -7.779 4.696 1.00 0.00 N ATOM 64 CA PHE A 4 2.604 -7.079 4.641 1.00 0.00 C ATOM 65 C PHE A 4 2.570 -6.073 3.487 1.00 0.00 C ATOM 66 O PHE A 4 1.489 -5.738 3.008 1.00 0.00 O ATOM 67 CB PHE A 4 2.311 -6.403 5.982 1.00 0.00 C ATOM 68 CG PHE A 4 2.987 -5.068 6.195 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.428 -3.899 5.646 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.153 -4.988 6.969 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.025 -2.651 5.908 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.762 -3.743 7.199 1.00 0.00 C ATOM 73 CZ PHE A 4 4.193 -2.572 6.679 1.00 0.00 C ATOM 0 H PHE A 4 4.499 -7.498 5.456 1.00 0.00 H new ATOM 0 HA PHE A 4 1.819 -7.811 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.234 -6.264 6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.614 -7.077 6.783 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.545 -3.959 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.584 -5.885 7.389 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.581 -1.750 5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.672 -3.688 7.778 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.652 -1.614 6.872 1.00 0.00 H new ATOM 83 N CYS A 5 3.732 -5.576 3.047 1.00 0.00 N ATOM 84 CA CYS A 5 3.815 -4.609 1.972 1.00 0.00 C ATOM 85 C CYS A 5 3.620 -5.247 0.605 1.00 0.00 C ATOM 86 O CYS A 5 3.400 -4.526 -0.353 1.00 0.00 O ATOM 87 CB CYS A 5 5.199 -3.943 2.017 1.00 0.00 C ATOM 88 SG CYS A 5 5.172 -2.180 2.384 1.00 0.00 S ATOM 0 H CYS A 5 4.638 -5.841 3.435 1.00 0.00 H new ATOM 0 HA CYS A 5 3.017 -3.880 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.806 -4.448 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.691 -4.093 1.056 1.00 0.00 H new ATOM 93 N GLU A 6 3.700 -6.571 0.482 1.00 0.00 N ATOM 94 CA GLU A 6 3.564 -7.212 -0.833 1.00 0.00 C ATOM 95 C GLU A 6 2.189 -7.821 -1.098 1.00 0.00 C ATOM 96 O GLU A 6 2.018 -8.530 -2.094 1.00 0.00 O ATOM 97 CB GLU A 6 4.766 -8.147 -1.042 1.00 0.00 C ATOM 98 CG GLU A 6 4.916 -9.333 -0.082 1.00 0.00 C ATOM 99 CD GLU A 6 4.173 -10.616 -0.463 1.00 0.00 C ATOM 100 OE1 GLU A 6 2.929 -10.695 -0.384 1.00 0.00 O ATOM 101 OE2 GLU A 6 4.863 -11.618 -0.742 1.00 0.00 O ATOM 0 H GLU A 6 3.855 -7.214 1.258 1.00 0.00 H new ATOM 0 HA GLU A 6 3.599 -6.451 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.713 -8.541 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.674 -7.547 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.977 -9.567 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.573 -9.020 0.904 1.00 0.00 H new ATOM 108 N LEU A 7 1.201 -7.556 -0.237 1.00 0.00 N ATOM 109 CA LEU A 7 -0.137 -8.101 -0.411 1.00 0.00 C ATOM 110 C LEU A 7 -0.866 -7.352 -1.528 1.00 0.00 C ATOM 111 O LEU A 7 -0.454 -6.269 -1.948 1.00 0.00 O ATOM 112 CB LEU A 7 -0.936 -8.026 0.902 1.00 0.00 C ATOM 113 CG LEU A 7 -0.251 -8.638 2.144 1.00 0.00 C ATOM 114 CD1 LEU A 7 -1.235 -8.728 3.312 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.336 -10.028 1.936 1.00 0.00 C ATOM 0 H LEU A 7 1.310 -6.965 0.587 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.049 -9.151 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.156 -6.979 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.891 -8.529 0.753 1.00 0.00 H new ATOM 0 HG LEU A 7 0.576 -7.959 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.734 -9.162 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.594 -7.730 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.079 -9.357 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.794 -10.372 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.456 -10.718 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.091 -9.990 1.150 1.00 0.00 H new ATOM 127 N ALA A 8 -1.918 -7.958 -2.056 1.00 0.00 N ATOM 128 CA ALA A 8 -2.749 -7.383 -3.101 1.00 0.00 C ATOM 129 C ALA A 8 -3.958 -6.839 -2.345 1.00 0.00 C ATOM 130 O ALA A 8 -4.651 -7.637 -1.714 1.00 0.00 O ATOM 131 CB ALA A 8 -3.136 -8.427 -4.140 1.00 0.00 C ATOM 0 H ALA A 8 -2.225 -8.885 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.240 -6.606 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.757 -7.964 -4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.235 -8.834 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.693 -9.231 -3.658 1.00 0.00 H new ATOM 137 N PRO A 9 -4.207 -5.524 -2.315 1.00 0.00 N ATOM 138 CA PRO A 9 -5.328 -4.957 -1.586 1.00 0.00 C ATOM 139 C PRO A 9 -6.686 -5.295 -2.218 1.00 0.00 C ATOM 140 O PRO A 9 -7.062 -4.711 -3.232 1.00 0.00 O ATOM 141 CB PRO A 9 -5.042 -3.456 -1.541 1.00 0.00 C ATOM 142 CG PRO A 9 -4.234 -3.198 -2.815 1.00 0.00 C ATOM 143 CD PRO A 9 -3.461 -4.496 -3.018 1.00 0.00 C ATOM 0 HA PRO A 9 -5.412 -5.378 -0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.963 -2.874 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.479 -3.183 -0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.882 -2.980 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.564 -2.346 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.372 -4.735 -4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.448 -4.412 -2.624 1.00 0.00 H new ATOM 151 N SER A 10 -7.450 -6.183 -1.578 1.00 0.00 N ATOM 152 CA SER A 10 -8.782 -6.634 -1.986 1.00 0.00 C ATOM 153 C SER A 10 -9.830 -5.556 -1.659 1.00 0.00 C ATOM 154 O SER A 10 -10.841 -5.845 -1.009 1.00 0.00 O ATOM 155 CB SER A 10 -9.087 -7.976 -1.292 1.00 0.00 C ATOM 156 OG SER A 10 -10.344 -8.496 -1.691 1.00 0.00 O ATOM 0 H SER A 10 -7.139 -6.630 -0.716 1.00 0.00 H new ATOM 0 HA SER A 10 -8.817 -6.792 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.303 -8.695 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.076 -7.838 -0.211 1.00 0.00 H new ATOM 0 HG SER A 10 -11.039 -7.822 -1.542 1.00 0.00 H new ATOM 162 N ALA A 11 -9.584 -4.302 -2.048 1.00 0.00 N ATOM 163 CA ALA A 11 -10.479 -3.179 -1.799 1.00 0.00 C ATOM 164 C ALA A 11 -11.897 -3.471 -2.290 1.00 0.00 C ATOM 165 O ALA A 11 -12.861 -3.062 -1.649 1.00 0.00 O ATOM 166 CB ALA A 11 -9.919 -1.917 -2.458 1.00 0.00 C ATOM 0 H ALA A 11 -8.739 -4.038 -2.555 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.540 -3.020 -0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.591 -1.080 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.936 -1.695 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.830 -2.076 -3.533 1.00 0.00 H new ATOM 172 N GLY A 12 -12.024 -4.254 -3.364 1.00 0.00 N ATOM 173 CA GLY A 12 -13.289 -4.635 -3.966 1.00 0.00 C ATOM 174 C GLY A 12 -14.222 -5.417 -3.040 1.00 0.00 C ATOM 175 O GLY A 12 -15.370 -5.652 -3.412 1.00 0.00 O ATOM 0 H GLY A 12 -11.218 -4.649 -3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.803 -3.734 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.088 -5.237 -4.852 1.00 0.00 H new ATOM 179 N SER A 13 -13.768 -5.835 -1.854 1.00 0.00 N ATOM 180 CA SER A 13 -14.588 -6.568 -0.902 1.00 0.00 C ATOM 181 C SER A 13 -15.709 -5.670 -0.351 1.00 0.00 C ATOM 182 O SER A 13 -16.760 -6.177 0.047 1.00 0.00 O ATOM 183 CB SER A 13 -13.674 -7.138 0.187 1.00 0.00 C ATOM 184 OG SER A 13 -14.376 -7.989 1.065 1.00 0.00 O ATOM 0 H SER A 13 -12.814 -5.670 -1.532 1.00 0.00 H new ATOM 0 HA SER A 13 -15.092 -7.404 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.855 -7.689 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.228 -6.320 0.752 1.00 0.00 H new ATOM 0 HG SER A 13 -13.762 -8.335 1.746 1.00 0.00 H new ATOM 190 N CYS A 14 -15.520 -4.346 -0.336 1.00 0.00 N ATOM 191 CA CYS A 14 -16.492 -3.371 0.136 1.00 0.00 C ATOM 192 C CYS A 14 -16.405 -2.158 -0.771 1.00 0.00 C ATOM 193 O CYS A 14 -15.305 -1.714 -1.086 1.00 0.00 O ATOM 194 CB CYS A 14 -16.177 -2.921 1.569 1.00 0.00 C ATOM 195 SG CYS A 14 -16.848 -3.973 2.872 1.00 0.00 S ATOM 0 H CYS A 14 -14.655 -3.916 -0.664 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.484 -3.822 0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.095 -2.870 1.687 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.560 -1.910 1.707 1.00 0.00 H new ATOM 200 N PHE A 15 -17.534 -1.591 -1.174 1.00 0.00 N ATOM 201 CA PHE A 15 -17.519 -0.417 -2.021 1.00 0.00 C ATOM 202 C PHE A 15 -17.480 0.794 -1.099 1.00 0.00 C ATOM 203 O PHE A 15 -18.454 1.103 -0.408 1.00 0.00 O ATOM 204 CB PHE A 15 -18.736 -0.369 -2.953 1.00 0.00 C ATOM 205 CG PHE A 15 -19.089 1.025 -3.451 1.00 0.00 C ATOM 206 CD1 PHE A 15 -18.095 1.973 -3.781 1.00 0.00 C ATOM 207 CD2 PHE A 15 -20.438 1.410 -3.480 1.00 0.00 C ATOM 208 CE1 PHE A 15 -18.459 3.298 -4.075 1.00 0.00 C ATOM 209 CE2 PHE A 15 -20.795 2.727 -3.793 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.807 3.678 -4.085 1.00 0.00 C ATOM 0 H PHE A 15 -18.465 -1.926 -0.927 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.647 -0.435 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -18.546 -1.012 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.597 -0.784 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.056 1.680 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.207 0.685 -3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.694 4.028 -4.295 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -21.837 3.012 -3.810 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.083 4.696 -4.316 1.00 0.00 H new ATOM 220 N ALA A 16 -16.318 1.438 -1.065 1.00 0.00 N ATOM 221 CA ALA A 16 -16.039 2.640 -0.312 1.00 0.00 C ATOM 222 C ALA A 16 -14.999 3.442 -1.102 1.00 0.00 C ATOM 223 O ALA A 16 -14.506 2.978 -2.137 1.00 0.00 O ATOM 224 CB ALA A 16 -15.578 2.285 1.103 1.00 0.00 C ATOM 0 H ALA A 16 -15.508 1.112 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.932 3.253 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.371 3.200 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.361 1.721 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.673 1.681 1.050 1.00 0.00 H new ATOM 230 N PHE A 17 -14.706 4.668 -0.664 1.00 0.00 N ATOM 231 CA PHE A 17 -13.718 5.530 -1.305 1.00 0.00 C ATOM 232 C PHE A 17 -12.792 6.146 -0.259 1.00 0.00 C ATOM 233 O PHE A 17 -13.168 7.115 0.408 1.00 0.00 O ATOM 234 CB PHE A 17 -14.411 6.581 -2.183 1.00 0.00 C ATOM 235 CG PHE A 17 -13.580 7.207 -3.304 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.168 7.225 -3.294 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.249 7.789 -4.397 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.445 7.800 -4.355 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.529 8.385 -5.448 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.125 8.391 -5.430 1.00 0.00 C ATOM 0 H PHE A 17 -15.152 5.091 0.150 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.092 4.933 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.292 6.121 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.765 7.383 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.636 6.791 -2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.328 7.778 -4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.365 7.786 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.058 8.840 -6.272 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.573 8.847 -6.238 1.00 0.00 H new ATOM 250 N VAL A 18 -11.619 5.560 -0.064 1.00 0.00 N ATOM 251 CA VAL A 18 -10.572 6.003 0.844 1.00 0.00 C ATOM 252 C VAL A 18 -9.257 5.828 0.063 1.00 0.00 C ATOM 253 O VAL A 18 -8.713 4.726 0.032 1.00 0.00 O ATOM 254 CB VAL A 18 -10.645 5.290 2.211 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.762 5.916 3.060 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.908 3.782 2.126 1.00 0.00 C ATOM 0 H VAL A 18 -11.358 4.711 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.676 7.048 1.136 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.661 5.422 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.812 5.411 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.552 6.974 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.716 5.807 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.944 3.362 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.860 3.606 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.107 3.304 1.561 1.00 0.00 H new ATOM 266 N PRO A 19 -8.740 6.855 -0.632 1.00 0.00 N ATOM 267 CA PRO A 19 -7.511 6.720 -1.397 1.00 0.00 C ATOM 268 C PRO A 19 -6.334 6.433 -0.468 1.00 0.00 C ATOM 269 O PRO A 19 -6.088 7.188 0.480 1.00 0.00 O ATOM 270 CB PRO A 19 -7.345 8.042 -2.155 1.00 0.00 C ATOM 271 CG PRO A 19 -8.077 9.043 -1.264 1.00 0.00 C ATOM 272 CD PRO A 19 -9.235 8.218 -0.710 1.00 0.00 C ATOM 0 HA PRO A 19 -7.548 5.884 -2.095 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.295 8.306 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.783 7.993 -3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.435 9.423 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.429 9.906 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.541 8.581 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.108 8.282 -1.360 1.00 0.00 H new ATOM 280 N SER A 20 -5.594 5.365 -0.742 1.00 0.00 N ATOM 281 CA SER A 20 -4.414 4.938 0.010 1.00 0.00 C ATOM 282 C SER A 20 -3.164 4.839 -0.897 1.00 0.00 C ATOM 283 O SER A 20 -3.157 5.335 -2.025 1.00 0.00 O ATOM 284 CB SER A 20 -4.732 3.697 0.853 1.00 0.00 C ATOM 285 OG SER A 20 -3.598 3.330 1.586 1.00 0.00 O ATOM 0 H SER A 20 -5.806 4.746 -1.525 1.00 0.00 H new ATOM 0 HA SER A 20 -4.142 5.704 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.563 3.905 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.043 2.875 0.208 1.00 0.00 H new ATOM 0 HG SER A 20 -3.665 3.691 2.494 1.00 0.00 H new ATOM 291 N TYR A 21 -2.042 4.358 -0.356 1.00 0.00 N ATOM 292 CA TYR A 21 -0.741 4.158 -0.982 1.00 0.00 C ATOM 293 C TYR A 21 -0.451 2.671 -1.054 1.00 0.00 C ATOM 294 O TYR A 21 -0.644 1.976 -0.063 1.00 0.00 O ATOM 295 CB TYR A 21 0.353 4.820 -0.148 1.00 0.00 C ATOM 296 CG TYR A 21 0.622 6.252 -0.537 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.443 6.547 -1.643 1.00 0.00 C ATOM 298 CD2 TYR A 21 0.011 7.288 0.184 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.618 7.880 -2.051 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.216 8.622 -0.194 1.00 0.00 C ATOM 301 CZ TYR A 21 1.007 8.925 -1.322 1.00 0.00 C ATOM 302 OH TYR A 21 1.177 10.222 -1.679 1.00 0.00 O ATOM 0 H TYR A 21 -2.024 4.073 0.623 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.757 4.598 -1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.069 4.785 0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.274 4.245 -0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.938 5.749 -2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.618 7.058 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.218 8.106 -2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.233 9.420 0.380 1.00 0.00 H new ATOM 0 HH TYR A 21 0.680 10.799 -1.062 1.00 0.00 H new ATOM 312 N TYR A 22 0.020 2.241 -2.221 1.00 0.00 N ATOM 313 CA TYR A 22 0.386 0.884 -2.604 1.00 0.00 C ATOM 314 C TYR A 22 1.913 0.805 -2.685 1.00 0.00 C ATOM 315 O TYR A 22 2.540 1.777 -3.111 1.00 0.00 O ATOM 316 CB TYR A 22 -0.211 0.660 -4.009 1.00 0.00 C ATOM 317 CG TYR A 22 -0.186 -0.742 -4.570 1.00 0.00 C ATOM 318 CD1 TYR A 22 1.025 -1.276 -5.032 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.379 -1.473 -4.737 1.00 0.00 C ATOM 320 CE1 TYR A 22 1.061 -2.545 -5.619 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.351 -2.749 -5.341 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.121 -3.293 -5.784 1.00 0.00 C ATOM 323 OH TYR A 22 -0.037 -4.509 -6.388 1.00 0.00 O ATOM 0 H TYR A 22 0.168 2.894 -2.991 1.00 0.00 H new ATOM 0 HA TYR A 22 0.023 0.140 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.248 0.994 -3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.320 1.309 -4.706 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.936 -0.704 -4.934 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.317 -1.056 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.004 -2.955 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.266 -3.309 -5.465 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.928 -4.914 -6.434 1.00 0.00 H new ATOM 333 N TYR A 23 2.520 -0.330 -2.340 1.00 0.00 N ATOM 334 CA TYR A 23 3.974 -0.535 -2.395 1.00 0.00 C ATOM 335 C TYR A 23 4.301 -1.371 -3.636 1.00 0.00 C ATOM 336 O TYR A 23 3.749 -2.458 -3.824 1.00 0.00 O ATOM 337 CB TYR A 23 4.473 -1.200 -1.108 1.00 0.00 C ATOM 338 CG TYR A 23 5.892 -1.719 -1.167 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.991 -0.856 -0.992 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.107 -3.091 -1.360 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.301 -1.365 -1.038 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.404 -3.611 -1.329 1.00 0.00 C ATOM 343 CZ TYR A 23 8.511 -2.745 -1.240 1.00 0.00 C ATOM 344 OH TYR A 23 9.749 -3.277 -1.395 1.00 0.00 O ATOM 0 H TYR A 23 2.010 -1.149 -2.008 1.00 0.00 H new ATOM 0 HA TYR A 23 4.488 0.423 -2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.399 -0.481 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.809 -2.029 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.828 0.198 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.268 -3.748 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.144 -0.701 -0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.558 -4.679 -1.373 1.00 0.00 H new ATOM 0 HH TYR A 23 10.401 -2.739 -0.899 1.00 0.00 H new ATOM 354 N ASN A 24 5.166 -0.850 -4.510 1.00 0.00 N ATOM 355 CA ASN A 24 5.588 -1.494 -5.750 1.00 0.00 C ATOM 356 C ASN A 24 7.034 -1.953 -5.597 1.00 0.00 C ATOM 357 O ASN A 24 7.956 -1.215 -5.959 1.00 0.00 O ATOM 358 CB ASN A 24 5.463 -0.539 -6.960 1.00 0.00 C ATOM 359 CG ASN A 24 4.025 -0.244 -7.364 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.175 -1.121 -7.353 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.699 0.979 -7.737 1.00 0.00 N ATOM 0 H ASN A 24 5.604 0.060 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 24 4.937 -2.347 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.964 0.400 -6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.987 -0.975 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.740 1.189 -8.015 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.406 1.714 -7.748 1.00 0.00 H new ATOM 368 N GLN A 25 7.263 -3.169 -5.086 1.00 0.00 N ATOM 369 CA GLN A 25 8.624 -3.698 -4.924 1.00 0.00 C ATOM 370 C GLN A 25 9.346 -3.724 -6.267 1.00 0.00 C ATOM 371 O GLN A 25 10.534 -3.415 -6.313 1.00 0.00 O ATOM 372 CB GLN A 25 8.691 -5.085 -4.255 1.00 0.00 C ATOM 373 CG GLN A 25 8.130 -6.302 -5.007 1.00 0.00 C ATOM 374 CD GLN A 25 6.633 -6.262 -5.288 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.821 -5.587 -4.493 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.172 -6.847 -6.254 1.00 0.00 N flip ATOM 0 H GLN A 25 6.526 -3.804 -4.778 1.00 0.00 H new ATOM 0 HA GLN A 25 9.127 -3.014 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.737 -5.291 -4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.167 -5.016 -3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.658 -6.397 -5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.350 -7.199 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.789 -7.371 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.170 -6.812 -6.441 1.00 0.00 H new ATOM 385 N TYR A 26 8.621 -4.010 -7.356 1.00 0.00 N ATOM 386 CA TYR A 26 9.174 -4.063 -8.703 1.00 0.00 C ATOM 387 C TYR A 26 9.836 -2.751 -9.118 1.00 0.00 C ATOM 388 O TYR A 26 10.703 -2.764 -9.993 1.00 0.00 O ATOM 389 CB TYR A 26 8.072 -4.384 -9.714 1.00 0.00 C ATOM 390 CG TYR A 26 7.357 -5.705 -9.507 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.065 -6.921 -9.588 1.00 0.00 C ATOM 392 CD2 TYR A 26 5.971 -5.717 -9.269 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.381 -8.146 -9.466 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.284 -6.936 -9.146 1.00 0.00 C ATOM 395 CZ TYR A 26 5.986 -8.158 -9.234 1.00 0.00 C ATOM 396 OH TYR A 26 5.330 -9.341 -9.096 1.00 0.00 O ATOM 0 H TYR A 26 7.622 -4.213 -7.319 1.00 0.00 H new ATOM 0 HA TYR A 26 9.934 -4.845 -8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.333 -3.583 -9.685 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.508 -4.380 -10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.134 -6.913 -9.744 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.433 -4.785 -9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.922 -9.077 -9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.216 -6.939 -8.984 1.00 0.00 H new ATOM 0 HH TYR A 26 4.377 -9.171 -8.941 1.00 0.00 H new ATOM 406 N SER A 27 9.436 -1.630 -8.518 1.00 0.00 N ATOM 407 CA SER A 27 9.992 -0.317 -8.823 1.00 0.00 C ATOM 408 C SER A 27 10.658 0.297 -7.586 1.00 0.00 C ATOM 409 O SER A 27 11.179 1.412 -7.643 1.00 0.00 O ATOM 410 CB SER A 27 8.913 0.539 -9.495 1.00 0.00 C ATOM 411 OG SER A 27 9.460 1.605 -10.247 1.00 0.00 O ATOM 0 H SER A 27 8.711 -1.610 -7.801 1.00 0.00 H new ATOM 0 HA SER A 27 10.806 -0.390 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.309 -0.090 -10.148 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.245 0.941 -8.733 1.00 0.00 H new ATOM 0 HG SER A 27 8.735 2.121 -10.658 1.00 0.00 H new ATOM 417 N ASN A 28 10.707 -0.456 -6.479 1.00 0.00 N ATOM 418 CA ASN A 28 11.302 -0.080 -5.216 1.00 0.00 C ATOM 419 C ASN A 28 10.813 1.294 -4.765 1.00 0.00 C ATOM 420 O ASN A 28 11.601 2.175 -4.420 1.00 0.00 O ATOM 421 CB ASN A 28 12.827 -0.203 -5.350 1.00 0.00 C ATOM 422 CG ASN A 28 13.422 -0.645 -4.037 1.00 0.00 C ATOM 423 OD1 ASN A 28 13.179 -1.777 -3.645 1.00 0.00 O ATOM 424 ND2 ASN A 28 14.154 0.190 -3.333 1.00 0.00 N ATOM 0 H ASN A 28 10.307 -1.394 -6.453 1.00 0.00 H new ATOM 0 HA ASN A 28 10.989 -0.752 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.076 -0.920 -6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.253 0.755 -5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.536 -0.101 -2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.340 1.129 -3.687 1.00 0.00 H new ATOM 431 N THR A 29 9.497 1.497 -4.836 1.00 0.00 N ATOM 432 CA THR A 29 8.845 2.737 -4.457 1.00 0.00 C ATOM 433 C THR A 29 7.389 2.434 -4.078 1.00 0.00 C ATOM 434 O THR A 29 7.005 1.266 -3.947 1.00 0.00 O ATOM 435 CB THR A 29 9.028 3.766 -5.595 1.00 0.00 C ATOM 436 OG1 THR A 29 8.866 5.078 -5.097 1.00 0.00 O ATOM 437 CG2 THR A 29 8.116 3.550 -6.808 1.00 0.00 C ATOM 0 H THR A 29 8.846 0.784 -5.167 1.00 0.00 H new ATOM 0 HA THR A 29 9.293 3.191 -3.573 1.00 0.00 H new ATOM 0 HB THR A 29 10.044 3.616 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.986 5.722 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.315 4.319 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.310 2.567 -7.238 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.074 3.610 -6.495 1.00 0.00 H new ATOM 445 N CYS A 30 6.584 3.472 -3.860 1.00 0.00 N ATOM 446 CA CYS A 30 5.182 3.381 -3.507 1.00 0.00 C ATOM 447 C CYS A 30 4.433 4.353 -4.404 1.00 0.00 C ATOM 448 O CYS A 30 5.018 5.320 -4.898 1.00 0.00 O ATOM 449 CB CYS A 30 4.962 3.735 -2.036 1.00 0.00 C ATOM 450 SG CYS A 30 6.069 2.923 -0.857 1.00 0.00 S ATOM 0 H CYS A 30 6.911 4.436 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 30 4.821 2.362 -3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.068 4.814 -1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.934 3.486 -1.772 1.00 0.00 H new ATOM 455 N HIS A 31 3.133 4.141 -4.584 1.00 0.00 N ATOM 456 CA HIS A 31 2.314 4.987 -5.430 1.00 0.00 C ATOM 457 C HIS A 31 0.883 4.965 -4.917 1.00 0.00 C ATOM 458 O HIS A 31 0.418 3.927 -4.443 1.00 0.00 O ATOM 459 CB HIS A 31 2.402 4.439 -6.860 1.00 0.00 C ATOM 460 CG HIS A 31 2.063 5.451 -7.910 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.235 5.256 -8.990 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.665 6.667 -8.054 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.353 6.319 -9.798 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.185 7.222 -9.247 1.00 0.00 N ATOM 0 H HIS A 31 2.622 3.375 -4.145 1.00 0.00 H new ATOM 0 HA HIS A 31 2.659 6.021 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.412 4.068 -7.037 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.728 3.588 -6.956 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.376 7.116 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.855 6.434 -10.749 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.422 8.139 -9.627 1.00 0.00 H new ATOM 472 N SER A 32 0.165 6.081 -4.997 1.00 0.00 N ATOM 473 CA SER A 32 -1.206 6.119 -4.515 1.00 0.00 C ATOM 474 C SER A 32 -2.135 5.232 -5.358 1.00 0.00 C ATOM 475 O SER A 32 -1.999 5.202 -6.585 1.00 0.00 O ATOM 476 CB SER A 32 -1.690 7.563 -4.442 1.00 0.00 C ATOM 477 OG SER A 32 -1.387 8.300 -5.621 1.00 0.00 O ATOM 0 H SER A 32 0.507 6.960 -5.386 1.00 0.00 H new ATOM 0 HA SER A 32 -1.231 5.703 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.767 7.574 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.232 8.053 -3.583 1.00 0.00 H new ATOM 0 HG SER A 32 -1.718 9.218 -5.527 1.00 0.00 H new ATOM 483 N PHE A 33 -3.051 4.514 -4.704 1.00 0.00 N ATOM 484 CA PHE A 33 -4.067 3.614 -5.269 1.00 0.00 C ATOM 485 C PHE A 33 -5.418 3.905 -4.582 1.00 0.00 C ATOM 486 O PHE A 33 -5.497 4.816 -3.752 1.00 0.00 O ATOM 487 CB PHE A 33 -3.635 2.137 -5.181 1.00 0.00 C ATOM 488 CG PHE A 33 -3.916 1.415 -3.869 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.183 1.718 -2.710 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.938 0.452 -3.784 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.442 1.060 -1.495 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.237 -0.163 -2.555 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.480 0.125 -1.400 1.00 0.00 C ATOM 0 H PHE A 33 -3.109 4.547 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.182 3.804 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.131 1.590 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.564 2.084 -5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.408 2.469 -2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.497 0.183 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.836 1.277 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.056 -0.864 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.696 -0.365 -0.462 1.00 0.00 H new ATOM 503 N THR A 34 -6.496 3.195 -4.913 1.00 0.00 N ATOM 504 CA THR A 34 -7.830 3.387 -4.303 1.00 0.00 C ATOM 505 C THR A 34 -8.148 2.231 -3.343 1.00 0.00 C ATOM 506 O THR A 34 -8.017 1.070 -3.737 1.00 0.00 O ATOM 507 CB THR A 34 -8.907 3.547 -5.395 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.805 2.551 -6.397 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.844 4.923 -6.064 1.00 0.00 C ATOM 0 H THR A 34 -6.477 2.460 -5.619 1.00 0.00 H new ATOM 0 HA THR A 34 -7.826 4.307 -3.718 1.00 0.00 H new ATOM 0 HB THR A 34 -9.862 3.439 -4.882 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.506 2.688 -7.067 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.620 4.993 -6.827 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.001 5.699 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.867 5.058 -6.527 1.00 0.00 H new ATOM 517 N TYR A 35 -8.515 2.521 -2.086 1.00 0.00 N ATOM 518 CA TYR A 35 -8.846 1.518 -1.081 1.00 0.00 C ATOM 519 C TYR A 35 -10.287 1.707 -0.580 1.00 0.00 C ATOM 520 O TYR A 35 -10.924 2.723 -0.883 1.00 0.00 O ATOM 521 CB TYR A 35 -7.826 1.539 0.066 1.00 0.00 C ATOM 522 CG TYR A 35 -7.769 0.314 0.949 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.281 -0.907 0.444 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.089 0.426 2.312 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.019 -1.973 1.316 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.903 -0.664 3.176 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.315 -1.850 2.690 1.00 0.00 C ATOM 528 OH TYR A 35 -7.018 -2.866 3.537 1.00 0.00 O ATOM 0 H TYR A 35 -8.589 3.478 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.791 0.531 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.836 1.695 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.041 2.402 0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.109 -1.022 -0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.480 1.356 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.590 -2.889 0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.209 -0.595 4.209 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.143 -3.241 3.304 1.00 0.00 H new ATOM 538 N SER A 36 -10.769 0.764 0.229 1.00 0.00 N ATOM 539 CA SER A 36 -12.096 0.732 0.845 1.00 0.00 C ATOM 540 C SER A 36 -11.949 0.520 2.366 1.00 0.00 C ATOM 541 O SER A 36 -10.843 0.278 2.842 1.00 0.00 O ATOM 542 CB SER A 36 -12.926 -0.357 0.163 1.00 0.00 C ATOM 543 OG SER A 36 -13.086 -0.041 -1.204 1.00 0.00 O ATOM 0 H SER A 36 -10.209 -0.048 0.488 1.00 0.00 H new ATOM 0 HA SER A 36 -12.621 1.677 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.434 -1.324 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.900 -0.441 0.644 1.00 0.00 H new ATOM 0 HG SER A 36 -13.880 -0.496 -1.554 1.00 0.00 H new ATOM 549 N GLY A 37 -13.017 0.563 3.168 1.00 0.00 N ATOM 550 CA GLY A 37 -12.885 0.398 4.619 1.00 0.00 C ATOM 551 C GLY A 37 -13.000 -1.037 5.115 1.00 0.00 C ATOM 552 O GLY A 37 -12.017 -1.587 5.608 1.00 0.00 O ATOM 0 H GLY A 37 -13.972 0.709 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.919 0.798 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.651 0.999 5.109 1.00 0.00 H new ATOM 556 N CYS A 38 -14.188 -1.638 5.026 1.00 0.00 N ATOM 557 CA CYS A 38 -14.472 -3.002 5.493 1.00 0.00 C ATOM 558 C CYS A 38 -13.901 -4.141 4.627 1.00 0.00 C ATOM 559 O CYS A 38 -14.486 -5.223 4.561 1.00 0.00 O ATOM 560 CB CYS A 38 -15.981 -3.149 5.739 1.00 0.00 C ATOM 561 SG CYS A 38 -17.131 -2.668 4.420 1.00 0.00 S ATOM 0 H CYS A 38 -15.002 -1.180 4.617 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.928 -3.123 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -16.176 -4.193 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -16.230 -2.564 6.624 1.00 0.00 H new ATOM 566 N GLY A 39 -12.795 -3.923 3.923 1.00 0.00 N ATOM 567 CA GLY A 39 -12.166 -4.917 3.068 1.00 0.00 C ATOM 568 C GLY A 39 -10.717 -4.540 2.837 1.00 0.00 C ATOM 569 O GLY A 39 -10.212 -3.594 3.453 1.00 0.00 O ATOM 0 H GLY A 39 -12.302 -3.030 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.227 -5.902 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.693 -4.979 2.116 1.00 0.00 H new ATOM 573 N GLY A 40 -10.052 -5.234 1.921 1.00 0.00 N ATOM 574 CA GLY A 40 -8.674 -4.966 1.565 1.00 0.00 C ATOM 575 C GLY A 40 -7.649 -5.782 2.330 1.00 0.00 C ATOM 576 O GLY A 40 -7.984 -6.654 3.136 1.00 0.00 O ATOM 0 H GLY A 40 -10.465 -6.008 1.401 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.546 -5.154 0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.470 -3.908 1.728 1.00 0.00 H new ATOM 580 N ASN A 41 -6.373 -5.525 2.029 1.00 0.00 N ATOM 581 CA ASN A 41 -5.241 -6.210 2.637 1.00 0.00 C ATOM 582 C ASN A 41 -4.237 -5.208 3.174 1.00 0.00 C ATOM 583 O ASN A 41 -4.249 -4.037 2.791 1.00 0.00 O ATOM 584 CB ASN A 41 -4.588 -7.206 1.664 1.00 0.00 C ATOM 585 CG ASN A 41 -5.588 -8.275 1.240 1.00 0.00 C ATOM 586 OD1 ASN A 41 -6.479 -8.016 0.442 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.506 -9.462 1.812 1.00 0.00 N ATOM 0 H ASN A 41 -6.098 -4.822 1.343 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.615 -6.794 3.478 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.219 -6.676 0.786 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.726 -7.675 2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.193 -10.183 1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.756 -9.658 2.475 1.00 0.00 H new ATOM 594 N ALA A 42 -3.264 -5.707 3.939 1.00 0.00 N ATOM 595 CA ALA A 42 -2.238 -4.898 4.571 1.00 0.00 C ATOM 596 C ALA A 42 -1.412 -4.003 3.640 1.00 0.00 C ATOM 597 O ALA A 42 -0.779 -3.100 4.183 1.00 0.00 O ATOM 598 CB ALA A 42 -1.341 -5.770 5.448 1.00 0.00 C ATOM 0 H ALA A 42 -3.172 -6.704 4.136 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.787 -4.185 5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.576 -5.150 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.942 -6.249 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.864 -6.534 4.834 1.00 0.00 H new ATOM 604 N ASN A 43 -1.417 -4.185 2.303 1.00 0.00 N ATOM 605 CA ASN A 43 -0.663 -3.302 1.391 1.00 0.00 C ATOM 606 C ASN A 43 -1.215 -1.855 1.399 1.00 0.00 C ATOM 607 O ASN A 43 -0.741 -0.991 0.672 1.00 0.00 O ATOM 608 CB ASN A 43 -0.608 -3.903 -0.016 1.00 0.00 C ATOM 609 CG ASN A 43 0.250 -3.119 -1.019 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.259 -2.507 -0.701 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.104 -3.155 -2.287 1.00 0.00 N ATOM 0 H ASN A 43 -1.931 -4.931 1.834 1.00 0.00 H new ATOM 0 HA ASN A 43 0.362 -3.233 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.222 -4.920 0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.624 -3.973 -0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.461 -2.676 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.943 -3.662 -2.568 1.00 0.00 H new ATOM 618 N ARG A 44 -2.282 -1.581 2.154 1.00 0.00 N ATOM 619 CA ARG A 44 -2.846 -0.244 2.293 1.00 0.00 C ATOM 620 C ARG A 44 -2.016 0.460 3.369 1.00 0.00 C ATOM 621 O ARG A 44 -1.829 -0.114 4.443 1.00 0.00 O ATOM 622 CB ARG A 44 -4.327 -0.342 2.693 1.00 0.00 C ATOM 623 CG ARG A 44 -4.934 1.013 3.112 1.00 0.00 C ATOM 624 CD ARG A 44 -5.443 1.146 4.538 1.00 0.00 C ATOM 625 NE ARG A 44 -4.404 0.689 5.456 1.00 0.00 N ATOM 626 CZ ARG A 44 -3.946 1.288 6.556 1.00 0.00 C ATOM 627 NH1 ARG A 44 -4.458 2.443 6.974 1.00 0.00 N ATOM 628 NH2 ARG A 44 -2.956 0.712 7.217 1.00 0.00 N ATOM 0 H ARG A 44 -2.781 -2.291 2.690 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.809 0.317 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.897 -0.745 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.428 -1.049 3.517 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.179 1.783 2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.762 1.233 2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.704 2.183 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.350 0.556 4.671 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.972 -0.206 5.226 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.214 2.885 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.095 2.886 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.563 -0.168 6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.585 1.147 8.062 1.00 0.00 H new ATOM 642 N PHE A 45 -1.613 1.711 3.142 1.00 0.00 N ATOM 643 CA PHE A 45 -0.820 2.535 4.063 1.00 0.00 C ATOM 644 C PHE A 45 -1.471 3.911 4.238 1.00 0.00 C ATOM 645 O PHE A 45 -2.613 4.127 3.833 1.00 0.00 O ATOM 646 CB PHE A 45 0.618 2.665 3.529 1.00 0.00 C ATOM 647 CG PHE A 45 1.201 1.368 3.016 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.131 0.181 3.773 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.698 1.328 1.707 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.535 -1.038 3.202 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.120 0.118 1.159 1.00 0.00 C ATOM 652 CZ PHE A 45 2.055 -1.064 1.903 1.00 0.00 C ATOM 0 H PHE A 45 -1.838 2.201 2.276 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.785 2.056 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.631 3.401 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.257 3.050 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.768 0.208 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.754 2.234 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.444 -1.955 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.501 0.093 0.149 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.405 -1.993 1.477 1.00 0.00 H new ATOM 662 N ARG A 46 -0.767 4.856 4.865 1.00 0.00 N ATOM 663 CA ARG A 46 -1.266 6.222 5.076 1.00 0.00 C ATOM 664 C ARG A 46 -0.451 7.274 4.328 1.00 0.00 C ATOM 665 O ARG A 46 -0.947 8.380 4.130 1.00 0.00 O ATOM 666 CB ARG A 46 -1.495 6.556 6.562 1.00 0.00 C ATOM 667 CG ARG A 46 -0.519 5.974 7.597 1.00 0.00 C ATOM 668 CD ARG A 46 0.969 6.236 7.335 1.00 0.00 C ATOM 669 NE ARG A 46 1.285 7.670 7.417 1.00 0.00 N ATOM 670 CZ ARG A 46 1.709 8.297 8.521 1.00 0.00 C ATOM 671 NH1 ARG A 46 2.128 7.636 9.591 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.691 9.617 8.561 1.00 0.00 N ATOM 0 H ARG A 46 0.167 4.698 5.242 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.257 6.254 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.481 7.641 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.499 6.223 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.773 6.380 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.675 4.896 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.570 5.688 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.238 5.859 6.348 1.00 0.00 H new ATOM 0 HE ARG A 46 1.173 8.228 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.134 6.616 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.444 8.147 10.415 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.357 10.147 7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.012 10.106 9.397 1.00 0.00 H new ATOM 686 N THR A 47 0.799 6.995 3.955 1.00 0.00 N ATOM 687 CA THR A 47 1.627 7.932 3.206 1.00 0.00 C ATOM 688 C THR A 47 2.804 7.190 2.577 1.00 0.00 C ATOM 689 O THR A 47 3.181 6.110 3.047 1.00 0.00 O ATOM 690 CB THR A 47 2.067 9.117 4.083 1.00 0.00 C ATOM 691 OG1 THR A 47 2.553 10.170 3.276 1.00 0.00 O ATOM 692 CG2 THR A 47 3.160 8.708 5.066 1.00 0.00 C ATOM 0 H THR A 47 1.263 6.111 4.166 1.00 0.00 H new ATOM 0 HA THR A 47 1.038 8.364 2.397 1.00 0.00 H new ATOM 0 HB THR A 47 1.193 9.448 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.828 10.919 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.447 9.569 5.670 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.787 7.917 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.028 8.345 4.515 1.00 0.00 H new ATOM 700 N ILE A 48 3.402 7.781 1.543 1.00 0.00 N ATOM 701 CA ILE A 48 4.560 7.219 0.864 1.00 0.00 C ATOM 702 C ILE A 48 5.777 7.301 1.786 1.00 0.00 C ATOM 703 O ILE A 48 6.658 6.455 1.709 1.00 0.00 O ATOM 704 CB ILE A 48 4.834 7.941 -0.473 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.140 7.405 -1.103 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.845 9.480 -0.357 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.278 7.801 -2.574 1.00 0.00 C ATOM 0 H ILE A 48 3.091 8.671 1.153 1.00 0.00 H new ATOM 0 HA ILE A 48 4.355 6.174 0.630 1.00 0.00 H new ATOM 0 HB ILE A 48 3.998 7.714 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.994 7.787 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.163 6.319 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.044 9.917 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.876 9.825 0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.623 9.787 0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.211 7.402 -2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.439 7.396 -3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.283 8.888 -2.659 1.00 0.00 H new ATOM 719 N ASP A 49 5.839 8.302 2.664 1.00 0.00 N ATOM 720 CA ASP A 49 6.952 8.489 3.590 1.00 0.00 C ATOM 721 C ASP A 49 7.086 7.292 4.520 1.00 0.00 C ATOM 722 O ASP A 49 8.196 6.899 4.844 1.00 0.00 O ATOM 723 CB ASP A 49 6.738 9.760 4.400 1.00 0.00 C ATOM 724 CG ASP A 49 7.908 10.078 5.319 1.00 0.00 C ATOM 725 OD1 ASP A 49 8.824 10.824 4.911 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.869 9.666 6.498 1.00 0.00 O ATOM 0 H ASP A 49 5.111 9.011 2.752 1.00 0.00 H new ATOM 0 HA ASP A 49 7.873 8.579 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.579 10.596 3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.831 9.657 4.996 1.00 0.00 H new ATOM 731 N GLU A 50 5.955 6.721 4.942 1.00 0.00 N ATOM 732 CA GLU A 50 5.873 5.584 5.827 1.00 0.00 C ATOM 733 C GLU A 50 6.114 4.337 4.992 1.00 0.00 C ATOM 734 O GLU A 50 6.951 3.517 5.345 1.00 0.00 O ATOM 735 CB GLU A 50 4.482 5.549 6.479 1.00 0.00 C ATOM 736 CG GLU A 50 4.374 4.512 7.603 1.00 0.00 C ATOM 737 CD GLU A 50 5.064 4.965 8.888 1.00 0.00 C ATOM 738 OE1 GLU A 50 4.831 6.106 9.341 1.00 0.00 O ATOM 739 OE2 GLU A 50 5.782 4.150 9.509 1.00 0.00 O ATOM 0 H GLU A 50 5.037 7.063 4.656 1.00 0.00 H new ATOM 0 HA GLU A 50 6.616 5.644 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.249 6.536 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.735 5.330 5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.322 4.314 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.815 3.573 7.270 1.00 0.00 H new ATOM 746 N CYS A 51 5.402 4.212 3.867 1.00 0.00 N ATOM 747 CA CYS A 51 5.513 3.069 2.980 1.00 0.00 C ATOM 748 C CYS A 51 6.951 2.822 2.541 1.00 0.00 C ATOM 749 O CYS A 51 7.433 1.688 2.567 1.00 0.00 O ATOM 750 CB CYS A 51 4.581 3.253 1.780 1.00 0.00 C ATOM 751 SG CYS A 51 4.791 2.053 0.452 1.00 0.00 S ATOM 0 H CYS A 51 4.730 4.911 3.552 1.00 0.00 H new ATOM 0 HA CYS A 51 5.205 2.180 3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.550 3.206 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.733 4.252 1.372 1.00 0.00 H new ATOM 756 N ASN A 52 7.639 3.881 2.126 1.00 0.00 N ATOM 757 CA ASN A 52 9.002 3.771 1.676 1.00 0.00 C ATOM 758 C ASN A 52 9.900 3.478 2.866 1.00 0.00 C ATOM 759 O ASN A 52 10.514 2.415 2.902 1.00 0.00 O ATOM 760 CB ASN A 52 9.426 4.957 0.789 1.00 0.00 C ATOM 761 CG ASN A 52 10.142 6.095 1.493 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.300 5.982 1.878 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.464 7.209 1.664 1.00 0.00 N ATOM 0 H ASN A 52 7.262 4.828 2.096 1.00 0.00 H new ATOM 0 HA ASN A 52 9.107 2.922 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.075 4.580 -0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.536 5.359 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.901 8.006 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.501 7.276 1.334 1.00 0.00 H new ATOM 770 N ARG A 53 9.878 4.309 3.909 1.00 0.00 N ATOM 771 CA ARG A 53 10.754 4.070 5.060 1.00 0.00 C ATOM 772 C ARG A 53 10.571 2.718 5.762 1.00 0.00 C ATOM 773 O ARG A 53 11.510 2.227 6.390 1.00 0.00 O ATOM 774 CB ARG A 53 10.746 5.291 5.994 1.00 0.00 C ATOM 775 CG ARG A 53 9.675 5.331 7.094 1.00 0.00 C ATOM 776 CD ARG A 53 9.703 6.626 7.938 1.00 0.00 C ATOM 777 NE ARG A 53 9.904 7.865 7.165 1.00 0.00 N ATOM 778 CZ ARG A 53 11.053 8.472 6.840 1.00 0.00 C ATOM 779 NH1 ARG A 53 12.230 7.972 7.211 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.033 9.592 6.127 1.00 0.00 N ATOM 0 H ARG A 53 9.281 5.133 3.983 1.00 0.00 H new ATOM 0 HA ARG A 53 11.765 3.963 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.723 5.356 6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.632 6.184 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.691 5.227 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.812 4.474 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.765 6.705 8.487 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.499 6.543 8.678 1.00 0.00 H new ATOM 0 HE ARG A 53 9.054 8.321 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.269 7.110 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.092 8.451 6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.143 9.990 5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.908 10.055 5.879 1.00 0.00 H new ATOM 794 N THR A 54 9.408 2.081 5.640 1.00 0.00 N ATOM 795 CA THR A 54 9.101 0.797 6.259 1.00 0.00 C ATOM 796 C THR A 54 9.275 -0.410 5.309 1.00 0.00 C ATOM 797 O THR A 54 9.278 -1.542 5.804 1.00 0.00 O ATOM 798 CB THR A 54 7.688 0.924 6.865 1.00 0.00 C ATOM 799 OG1 THR A 54 7.550 0.249 8.104 1.00 0.00 O ATOM 800 CG2 THR A 54 6.593 0.499 5.879 1.00 0.00 C ATOM 0 H THR A 54 8.633 2.456 5.092 1.00 0.00 H new ATOM 0 HA THR A 54 9.822 0.575 7.045 1.00 0.00 H new ATOM 0 HB THR A 54 7.555 1.986 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.637 0.365 8.440 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.617 0.606 6.351 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.638 1.130 4.991 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.745 -0.542 5.592 1.00 0.00 H new ATOM 808 N CYS A 55 9.413 -0.230 3.983 1.00 0.00 N ATOM 809 CA CYS A 55 9.543 -1.338 3.034 1.00 0.00 C ATOM 810 C CYS A 55 10.565 -1.132 1.918 1.00 0.00 C ATOM 811 O CYS A 55 11.108 -2.128 1.449 1.00 0.00 O ATOM 812 CB CYS A 55 8.177 -1.606 2.378 1.00 0.00 C ATOM 813 SG CYS A 55 6.819 -1.937 3.525 1.00 0.00 S ATOM 0 H CYS A 55 9.437 0.690 3.544 1.00 0.00 H new ATOM 0 HA CYS A 55 9.902 -2.177 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.911 -0.744 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.277 -2.457 1.704 1.00 0.00 H new ATOM 818 N VAL A 56 10.754 0.090 1.420 1.00 0.00 N ATOM 819 CA VAL A 56 11.705 0.408 0.359 1.00 0.00 C ATOM 820 C VAL A 56 13.110 0.189 0.923 1.00 0.00 C ATOM 821 O VAL A 56 13.614 0.962 1.741 1.00 0.00 O ATOM 822 CB VAL A 56 11.437 1.818 -0.216 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.529 2.366 -1.137 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.134 1.801 -1.039 1.00 0.00 C ATOM 0 H VAL A 56 10.237 0.904 1.752 1.00 0.00 H new ATOM 0 HA VAL A 56 11.593 -0.249 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 56 11.389 2.465 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.246 3.359 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.469 2.429 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.651 1.701 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.946 2.796 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.230 1.088 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.303 1.507 -0.398 1.00 0.00 H new ATOM 834 N GLY A 57 13.696 -0.927 0.507 1.00 0.00 N ATOM 835 CA GLY A 57 15.012 -1.404 0.856 1.00 0.00 C ATOM 836 C GLY A 57 16.066 -0.720 0.014 1.00 0.00 C ATOM 837 O GLY A 57 17.219 -0.702 0.497 1.00 0.00 O ATOM 0 H GLY A 57 13.220 -1.565 -0.131 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.204 -1.217 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.065 -2.483 0.709 1.00 0.00 H new TER 841 GLY A 57