USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 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+ -177:sc= -0.103 (180deg=-0.143) USER MOD Single : A 10 SER OG : rot -41:sc= 0.447 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 10:sc= 1.16 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 53:sc= 1.19 USER MOD Single : A 24 ASN : amide:sc=-0.00339 X(o=-0.0034,f=-0.34) USER MOD Single : A 25 GLN : amide:sc= -2.96! C(o=-3!,f=-2.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -43:sc= 0.0529 USER MOD Single : A 28 ASN : amide:sc= -0.633 X(o=-0.63,f=-0.44) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 31 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.093) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00926 USER MOD Single : A 35 TYR OH : rot 41:sc= 0.135 USER MOD Single : A 36 SER OG : rot 156:sc= -0.681 USER MOD Single : A 41 ASN : amide:sc= 1.18 K(o=1.2,f=-0.042) USER MOD Single : A 43 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.9) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.248 K(o=0.25,f=-0.37) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.135 -5.496 3.043 1.00 0.00 N ATOM 2 CA ARG A 1 10.733 -5.209 2.719 1.00 0.00 C ATOM 3 C ARG A 1 9.859 -6.241 3.441 1.00 0.00 C ATOM 4 O ARG A 1 9.978 -7.431 3.143 1.00 0.00 O ATOM 5 CB ARG A 1 10.466 -5.178 1.197 1.00 0.00 C ATOM 6 CG ARG A 1 11.158 -6.235 0.309 1.00 0.00 C ATOM 7 CD ARG A 1 12.544 -5.815 -0.210 1.00 0.00 C ATOM 8 NE ARG A 1 12.477 -4.851 -1.314 1.00 0.00 N ATOM 9 CZ ARG A 1 12.511 -5.133 -2.625 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.415 -6.386 -3.072 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.646 -4.125 -3.482 1.00 0.00 N ATOM 0 H1 ARG A 1 12.747 -4.778 2.605 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.264 -5.478 4.075 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.390 -6.436 2.679 1.00 0.00 H new ATOM 0 HA ARG A 1 10.482 -4.206 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.390 -5.271 1.047 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.756 -4.194 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.260 -7.159 0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.515 -6.454 -0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.116 -5.380 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 1 13.085 -6.701 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 1 12.396 -3.867 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.313 -7.157 -2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.444 -6.574 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.721 -3.168 -3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 1 12.675 -4.309 -4.485 1.00 0.00 H new ATOM 25 N PRO A 2 9.044 -5.825 4.423 1.00 0.00 N ATOM 26 CA PRO A 2 8.171 -6.728 5.162 1.00 0.00 C ATOM 27 C PRO A 2 7.133 -7.319 4.213 1.00 0.00 C ATOM 28 O PRO A 2 6.573 -6.620 3.369 1.00 0.00 O ATOM 29 CB PRO A 2 7.537 -5.874 6.262 1.00 0.00 C ATOM 30 CG PRO A 2 7.539 -4.474 5.662 1.00 0.00 C ATOM 31 CD PRO A 2 8.842 -4.456 4.862 1.00 0.00 C ATOM 0 HA PRO A 2 8.701 -7.573 5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.527 -6.209 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.113 -5.916 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.670 -4.304 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.525 -3.703 6.432 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.772 -3.777 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.675 -4.113 5.476 1.00 0.00 H new ATOM 39 N ARG A 3 6.839 -8.609 4.352 1.00 0.00 N ATOM 40 CA ARG A 3 5.877 -9.275 3.482 1.00 0.00 C ATOM 41 C ARG A 3 4.464 -8.700 3.612 1.00 0.00 C ATOM 42 O ARG A 3 3.611 -8.981 2.775 1.00 0.00 O ATOM 43 CB ARG A 3 5.959 -10.800 3.645 1.00 0.00 C ATOM 44 CG ARG A 3 5.224 -11.370 4.865 1.00 0.00 C ATOM 45 CD ARG A 3 3.802 -11.821 4.523 1.00 0.00 C ATOM 46 NE ARG A 3 3.128 -12.332 5.720 1.00 0.00 N ATOM 47 CZ ARG A 3 2.173 -13.264 5.736 1.00 0.00 C ATOM 48 NH1 ARG A 3 1.623 -13.716 4.613 1.00 0.00 N ATOM 49 NH2 ARG A 3 1.783 -13.739 6.906 1.00 0.00 N ATOM 0 H ARG A 3 7.255 -9.214 5.060 1.00 0.00 H new ATOM 0 HA ARG A 3 6.152 -9.064 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.554 -11.267 2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.009 -11.086 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.786 -12.215 5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.185 -10.614 5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.238 -10.985 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.833 -12.595 3.757 1.00 0.00 H new ATOM 0 HE ARG A 3 3.413 -11.942 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.929 -13.350 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.895 -14.429 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.210 -13.393 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.055 -14.452 6.950 1.00 0.00 H new ATOM 63 N PHE A 4 4.165 -7.903 4.641 1.00 0.00 N ATOM 64 CA PHE A 4 2.831 -7.337 4.746 1.00 0.00 C ATOM 65 C PHE A 4 2.614 -6.271 3.661 1.00 0.00 C ATOM 66 O PHE A 4 1.461 -6.009 3.322 1.00 0.00 O ATOM 67 CB PHE A 4 2.544 -6.819 6.160 1.00 0.00 C ATOM 68 CG PHE A 4 3.085 -5.447 6.503 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.460 -4.302 5.980 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.171 -5.301 7.381 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.928 -3.022 6.307 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.655 -4.020 7.692 1.00 0.00 C ATOM 73 CZ PHE A 4 4.042 -2.877 7.148 1.00 0.00 C ATOM 0 H PHE A 4 4.810 -7.645 5.388 1.00 0.00 H new ATOM 0 HA PHE A 4 2.104 -8.129 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.464 -6.805 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.952 -7.534 6.874 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.612 -4.409 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.634 -6.174 7.817 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.432 -2.148 5.912 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.503 -3.912 8.353 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.426 -1.894 7.376 1.00 0.00 H new ATOM 83 N CYS A 5 3.671 -5.655 3.103 1.00 0.00 N ATOM 84 CA CYS A 5 3.497 -4.639 2.069 1.00 0.00 C ATOM 85 C CYS A 5 3.440 -5.199 0.650 1.00 0.00 C ATOM 86 O CYS A 5 3.194 -4.444 -0.285 1.00 0.00 O ATOM 87 CB CYS A 5 4.472 -3.473 2.223 1.00 0.00 C ATOM 88 SG CYS A 5 6.234 -3.810 2.287 1.00 0.00 S ATOM 0 H CYS A 5 4.642 -5.845 3.352 1.00 0.00 H new ATOM 0 HA CYS A 5 2.502 -4.225 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.299 -2.788 1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.206 -2.941 3.136 1.00 0.00 H new ATOM 93 N GLU A 6 3.617 -6.504 0.467 1.00 0.00 N ATOM 94 CA GLU A 6 3.571 -7.125 -0.865 1.00 0.00 C ATOM 95 C GLU A 6 2.231 -7.848 -1.091 1.00 0.00 C ATOM 96 O GLU A 6 2.107 -8.719 -1.956 1.00 0.00 O ATOM 97 CB GLU A 6 4.784 -8.034 -1.060 1.00 0.00 C ATOM 98 CG GLU A 6 4.817 -9.263 -0.160 1.00 0.00 C ATOM 99 CD GLU A 6 6.015 -10.163 -0.432 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.155 -9.654 -0.501 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.809 -11.392 -0.549 1.00 0.00 O ATOM 0 H GLU A 6 3.795 -7.161 1.226 1.00 0.00 H new ATOM 0 HA GLU A 6 3.626 -6.349 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.810 -8.362 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.688 -7.451 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.838 -8.944 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.900 -9.835 -0.300 1.00 0.00 H new ATOM 108 N LEU A 7 1.236 -7.565 -0.245 1.00 0.00 N ATOM 109 CA LEU A 7 -0.084 -8.171 -0.336 1.00 0.00 C ATOM 110 C LEU A 7 -0.885 -7.474 -1.436 1.00 0.00 C ATOM 111 O LEU A 7 -0.440 -6.480 -2.014 1.00 0.00 O ATOM 112 CB LEU A 7 -0.804 -8.121 1.019 1.00 0.00 C ATOM 113 CG LEU A 7 -0.015 -8.731 2.197 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.860 -8.658 3.466 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.415 -10.178 1.982 1.00 0.00 C ATOM 0 H LEU A 7 1.331 -6.904 0.526 1.00 0.00 H new ATOM 0 HA LEU A 7 0.016 -9.224 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.034 -7.082 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.756 -8.645 0.928 1.00 0.00 H new ATOM 0 HG LEU A 7 0.898 -8.141 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.304 -9.089 4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.096 -7.617 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.785 -9.216 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.963 -10.528 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.467 -10.801 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.056 -10.240 1.103 1.00 0.00 H new ATOM 127 N ALA A 8 -2.027 -8.052 -1.780 1.00 0.00 N ATOM 128 CA ALA A 8 -2.924 -7.543 -2.805 1.00 0.00 C ATOM 129 C ALA A 8 -4.036 -6.788 -2.089 1.00 0.00 C ATOM 130 O ALA A 8 -4.715 -7.407 -1.267 1.00 0.00 O ATOM 131 CB ALA A 8 -3.493 -8.704 -3.609 1.00 0.00 C ATOM 0 H ALA A 8 -2.363 -8.910 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.403 -6.883 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.165 -8.320 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.679 -9.253 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.043 -9.371 -2.945 1.00 0.00 H new ATOM 137 N PRO A 9 -4.271 -5.499 -2.350 1.00 0.00 N ATOM 138 CA PRO A 9 -5.315 -4.771 -1.658 1.00 0.00 C ATOM 139 C PRO A 9 -6.706 -5.217 -2.141 1.00 0.00 C ATOM 140 O PRO A 9 -7.227 -4.720 -3.139 1.00 0.00 O ATOM 141 CB PRO A 9 -5.020 -3.300 -1.929 1.00 0.00 C ATOM 142 CG PRO A 9 -4.321 -3.321 -3.288 1.00 0.00 C ATOM 143 CD PRO A 9 -3.564 -4.649 -3.290 1.00 0.00 C ATOM 0 HA PRO A 9 -5.326 -4.962 -0.585 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.933 -2.706 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.383 -2.869 -1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.038 -3.268 -4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.644 -2.475 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.550 -5.092 -4.286 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.526 -4.509 -2.989 1.00 0.00 H new ATOM 151 N SER A 10 -7.345 -6.112 -1.387 1.00 0.00 N ATOM 152 CA SER A 10 -8.676 -6.682 -1.619 1.00 0.00 C ATOM 153 C SER A 10 -9.798 -5.645 -1.372 1.00 0.00 C ATOM 154 O SER A 10 -10.838 -5.972 -0.795 1.00 0.00 O ATOM 155 CB SER A 10 -8.810 -7.917 -0.710 1.00 0.00 C ATOM 156 OG SER A 10 -10.023 -8.617 -0.911 1.00 0.00 O ATOM 0 H SER A 10 -6.918 -6.485 -0.539 1.00 0.00 H new ATOM 0 HA SER A 10 -8.786 -6.977 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.973 -8.590 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.745 -7.604 0.332 1.00 0.00 H new ATOM 0 HG SER A 10 -10.755 -7.976 -1.026 1.00 0.00 H new ATOM 162 N ALA A 11 -9.587 -4.380 -1.737 1.00 0.00 N ATOM 163 CA ALA A 11 -10.513 -3.269 -1.574 1.00 0.00 C ATOM 164 C ALA A 11 -11.898 -3.547 -2.172 1.00 0.00 C ATOM 165 O ALA A 11 -12.884 -2.997 -1.692 1.00 0.00 O ATOM 166 CB ALA A 11 -9.888 -2.026 -2.222 1.00 0.00 C ATOM 0 H ALA A 11 -8.714 -4.091 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.675 -3.114 -0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.565 -1.179 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.940 -1.799 -1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.714 -2.216 -3.281 1.00 0.00 H new ATOM 172 N GLY A 12 -12.002 -4.426 -3.170 1.00 0.00 N ATOM 173 CA GLY A 12 -13.278 -4.739 -3.802 1.00 0.00 C ATOM 174 C GLY A 12 -14.279 -5.460 -2.891 1.00 0.00 C ATOM 175 O GLY A 12 -15.445 -5.599 -3.273 1.00 0.00 O ATOM 0 H GLY A 12 -11.209 -4.936 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.730 -3.813 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.092 -5.359 -4.679 1.00 0.00 H new ATOM 179 N SER A 13 -13.844 -5.908 -1.709 1.00 0.00 N ATOM 180 CA SER A 13 -14.640 -6.622 -0.722 1.00 0.00 C ATOM 181 C SER A 13 -15.837 -5.830 -0.191 1.00 0.00 C ATOM 182 O SER A 13 -16.884 -6.431 0.066 1.00 0.00 O ATOM 183 CB SER A 13 -13.720 -6.976 0.451 1.00 0.00 C ATOM 184 OG SER A 13 -14.236 -8.026 1.236 1.00 0.00 O ATOM 0 H SER A 13 -12.880 -5.773 -1.406 1.00 0.00 H new ATOM 0 HA SER A 13 -15.054 -7.502 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.739 -7.259 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.576 -6.095 1.076 1.00 0.00 H new ATOM 0 HG SER A 13 -13.617 -8.220 1.971 1.00 0.00 H new ATOM 190 N CYS A 14 -15.715 -4.516 -0.005 1.00 0.00 N ATOM 191 CA CYS A 14 -16.787 -3.678 0.524 1.00 0.00 C ATOM 192 C CYS A 14 -16.871 -2.396 -0.290 1.00 0.00 C ATOM 193 O CYS A 14 -15.910 -2.076 -1.000 1.00 0.00 O ATOM 194 CB CYS A 14 -16.485 -3.332 1.988 1.00 0.00 C ATOM 195 SG CYS A 14 -15.787 -4.651 3.027 1.00 0.00 S ATOM 0 H CYS A 14 -14.862 -4.000 -0.220 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.735 -4.213 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -15.793 -2.490 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.410 -2.990 2.452 1.00 0.00 H new ATOM 200 N PHE A 15 -17.992 -1.669 -0.223 1.00 0.00 N ATOM 201 CA PHE A 15 -18.072 -0.432 -0.983 1.00 0.00 C ATOM 202 C PHE A 15 -17.539 0.664 -0.085 1.00 0.00 C ATOM 203 O PHE A 15 -18.204 1.064 0.875 1.00 0.00 O ATOM 204 CB PHE A 15 -19.514 -0.107 -1.406 1.00 0.00 C ATOM 205 CG PHE A 15 -19.657 1.187 -2.192 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.852 2.415 -1.525 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.603 1.169 -3.597 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.980 3.611 -2.254 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.726 2.366 -4.324 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.908 3.590 -3.656 1.00 0.00 C ATOM 0 H PHE A 15 -18.819 -1.906 0.326 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.492 -0.524 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.898 -0.930 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.138 -0.048 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.903 2.437 -0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.467 0.233 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -20.134 4.546 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.680 2.345 -5.403 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.992 4.508 -4.218 1.00 0.00 H new ATOM 220 N ALA A 16 -16.325 1.115 -0.363 1.00 0.00 N ATOM 221 CA ALA A 16 -15.715 2.200 0.361 1.00 0.00 C ATOM 222 C ALA A 16 -14.767 2.938 -0.571 1.00 0.00 C ATOM 223 O ALA A 16 -14.221 2.346 -1.511 1.00 0.00 O ATOM 224 CB ALA A 16 -15.100 1.776 1.689 1.00 0.00 C ATOM 0 H ALA A 16 -15.739 0.730 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.489 2.901 0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.659 2.644 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.873 1.352 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.327 1.029 1.510 1.00 0.00 H new ATOM 230 N PHE A 17 -14.545 4.216 -0.281 1.00 0.00 N ATOM 231 CA PHE A 17 -13.677 5.075 -1.059 1.00 0.00 C ATOM 232 C PHE A 17 -12.731 5.840 -0.151 1.00 0.00 C ATOM 233 O PHE A 17 -13.136 6.820 0.491 1.00 0.00 O ATOM 234 CB PHE A 17 -14.519 5.999 -1.928 1.00 0.00 C ATOM 235 CG PHE A 17 -13.676 6.753 -2.934 1.00 0.00 C ATOM 236 CD1 PHE A 17 -13.113 6.064 -4.025 1.00 0.00 C ATOM 237 CD2 PHE A 17 -13.404 8.121 -2.750 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.247 6.731 -4.908 1.00 0.00 C ATOM 239 CE2 PHE A 17 -12.555 8.790 -3.646 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.964 8.095 -4.715 1.00 0.00 C ATOM 0 H PHE A 17 -14.974 4.686 0.516 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.057 4.469 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.274 5.414 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.050 6.710 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -13.347 5.022 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -13.847 8.655 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.800 6.197 -5.733 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.355 9.843 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.293 8.608 -5.388 1.00 0.00 H new ATOM 250 N VAL A 18 -11.506 5.347 -0.031 1.00 0.00 N ATOM 251 CA VAL A 18 -10.447 5.934 0.767 1.00 0.00 C ATOM 252 C VAL A 18 -9.165 5.854 -0.072 1.00 0.00 C ATOM 253 O VAL A 18 -8.555 4.785 -0.118 1.00 0.00 O ATOM 254 CB VAL A 18 -10.351 5.265 2.158 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.443 5.816 3.086 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.485 3.736 2.147 1.00 0.00 C ATOM 0 H VAL A 18 -11.215 4.493 -0.507 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.644 6.981 1.000 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.348 5.504 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.366 5.338 4.063 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.316 6.893 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.423 5.609 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.405 3.356 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.454 3.459 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.691 3.306 1.536 1.00 0.00 H new ATOM 266 N PRO A 19 -8.745 6.917 -0.782 1.00 0.00 N ATOM 267 CA PRO A 19 -7.526 6.859 -1.572 1.00 0.00 C ATOM 268 C PRO A 19 -6.374 6.621 -0.605 1.00 0.00 C ATOM 269 O PRO A 19 -6.215 7.346 0.383 1.00 0.00 O ATOM 270 CB PRO A 19 -7.429 8.188 -2.316 1.00 0.00 C ATOM 271 CG PRO A 19 -8.255 9.142 -1.462 1.00 0.00 C ATOM 272 CD PRO A 19 -9.333 8.243 -0.856 1.00 0.00 C ATOM 0 HA PRO A 19 -7.506 6.055 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.395 8.523 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.827 8.110 -3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.649 9.616 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.690 9.941 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.627 8.596 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.231 8.239 -1.473 1.00 0.00 H new ATOM 280 N SER A 20 -5.608 5.559 -0.832 1.00 0.00 N ATOM 281 CA SER A 20 -4.472 5.192 0.006 1.00 0.00 C ATOM 282 C SER A 20 -3.225 4.809 -0.844 1.00 0.00 C ATOM 283 O SER A 20 -3.210 5.107 -2.040 1.00 0.00 O ATOM 284 CB SER A 20 -5.018 4.306 1.124 1.00 0.00 C ATOM 285 OG SER A 20 -5.759 5.101 2.035 1.00 0.00 O ATOM 0 H SER A 20 -5.761 4.921 -1.613 1.00 0.00 H new ATOM 0 HA SER A 20 -3.997 6.005 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.653 3.524 0.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.198 3.808 1.642 1.00 0.00 H new ATOM 0 HG SER A 20 -5.880 5.999 1.662 1.00 0.00 H new ATOM 291 N TYR A 21 -2.117 4.324 -0.263 1.00 0.00 N ATOM 292 CA TYR A 21 -0.870 4.011 -0.992 1.00 0.00 C ATOM 293 C TYR A 21 -0.528 2.535 -1.107 1.00 0.00 C ATOM 294 O TYR A 21 -0.646 1.790 -0.135 1.00 0.00 O ATOM 295 CB TYR A 21 0.316 4.725 -0.330 1.00 0.00 C ATOM 296 CG TYR A 21 0.596 6.107 -0.869 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.106 7.204 -0.343 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.550 6.299 -1.887 1.00 0.00 C ATOM 299 CE1 TYR A 21 0.163 8.500 -0.807 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.799 7.593 -2.370 1.00 0.00 C ATOM 301 CZ TYR A 21 1.123 8.701 -1.821 1.00 0.00 C ATOM 302 OH TYR A 21 1.418 9.949 -2.263 1.00 0.00 O ATOM 0 H TYR A 21 -2.057 4.135 0.737 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.054 4.363 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.128 4.798 0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.209 4.112 -0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.854 7.049 0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.087 5.455 -2.294 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.365 9.344 -0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.513 7.740 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 21 2.102 9.895 -2.962 1.00 0.00 H new ATOM 312 N TYR A 22 -0.078 2.166 -2.310 1.00 0.00 N ATOM 313 CA TYR A 22 0.344 0.841 -2.758 1.00 0.00 C ATOM 314 C TYR A 22 1.875 0.785 -2.705 1.00 0.00 C ATOM 315 O TYR A 22 2.508 1.823 -2.912 1.00 0.00 O ATOM 316 CB TYR A 22 -0.084 0.633 -4.239 1.00 0.00 C ATOM 317 CG TYR A 22 -0.142 -0.811 -4.679 1.00 0.00 C ATOM 318 CD1 TYR A 22 1.033 -1.481 -5.052 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.375 -1.476 -4.767 1.00 0.00 C ATOM 320 CE1 TYR A 22 1.005 -2.815 -5.482 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.411 -2.811 -5.211 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.228 -3.493 -5.575 1.00 0.00 C ATOM 323 OH TYR A 22 -0.296 -4.764 -6.057 1.00 0.00 O ATOM 0 H TYR A 22 0.007 2.851 -3.061 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.107 0.077 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.065 1.084 -4.387 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.613 1.168 -4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.977 -0.959 -5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.288 -0.967 -4.496 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.923 -3.321 -5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.360 -3.323 -5.275 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.227 -5.069 -6.046 1.00 0.00 H new ATOM 333 N TYR A 23 2.473 -0.392 -2.495 1.00 0.00 N ATOM 334 CA TYR A 23 3.927 -0.572 -2.459 1.00 0.00 C ATOM 335 C TYR A 23 4.367 -1.406 -3.660 1.00 0.00 C ATOM 336 O TYR A 23 3.760 -2.447 -3.924 1.00 0.00 O ATOM 337 CB TYR A 23 4.341 -1.296 -1.181 1.00 0.00 C ATOM 338 CG TYR A 23 5.809 -1.707 -1.159 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.821 -0.730 -1.183 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.170 -3.067 -1.189 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.175 -1.101 -1.212 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.525 -3.446 -1.180 1.00 0.00 C ATOM 343 CZ TYR A 23 8.538 -2.463 -1.208 1.00 0.00 C ATOM 344 OH TYR A 23 9.852 -2.819 -1.226 1.00 0.00 O ATOM 0 H TYR A 23 1.954 -1.257 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 23 4.400 0.410 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.141 -0.650 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.722 -2.185 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.554 0.316 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.401 -3.825 -1.219 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.941 -0.340 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.791 -4.492 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 23 10.324 -2.366 -0.497 1.00 0.00 H new ATOM 354 N ASN A 24 5.433 -0.993 -4.351 1.00 0.00 N ATOM 355 CA ASN A 24 5.970 -1.676 -5.518 1.00 0.00 C ATOM 356 C ASN A 24 7.452 -2.018 -5.349 1.00 0.00 C ATOM 357 O ASN A 24 8.312 -1.275 -5.832 1.00 0.00 O ATOM 358 CB ASN A 24 5.755 -0.846 -6.801 1.00 0.00 C ATOM 359 CG ASN A 24 4.332 -0.923 -7.330 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.429 -0.298 -6.783 1.00 0.00 O ATOM 361 ND2 ASN A 24 4.090 -1.659 -8.402 1.00 0.00 N ATOM 0 H ASN A 24 5.955 -0.153 -4.103 1.00 0.00 H new ATOM 0 HA ASN A 24 5.420 -2.612 -5.615 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.005 0.195 -6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.442 -1.195 -7.572 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.145 -1.711 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.848 -2.174 -8.849 1.00 0.00 H new ATOM 368 N GLN A 25 7.774 -3.165 -4.725 1.00 0.00 N ATOM 369 CA GLN A 25 9.162 -3.636 -4.558 1.00 0.00 C ATOM 370 C GLN A 25 9.866 -3.653 -5.920 1.00 0.00 C ATOM 371 O GLN A 25 11.039 -3.303 -6.000 1.00 0.00 O ATOM 372 CB GLN A 25 9.267 -5.058 -3.963 1.00 0.00 C ATOM 373 CG GLN A 25 8.287 -6.128 -4.464 1.00 0.00 C ATOM 374 CD GLN A 25 6.971 -6.004 -3.731 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.886 -6.334 -2.560 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.952 -5.452 -4.356 1.00 0.00 N ATOM 0 H GLN A 25 7.079 -3.793 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 25 9.631 -2.943 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.278 -5.421 -4.145 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.147 -4.977 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.128 -6.014 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.708 -7.121 -4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.040 -5.182 -5.336 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.074 -5.294 -3.861 1.00 0.00 H new ATOM 385 N TYR A 26 9.128 -4.011 -6.979 1.00 0.00 N ATOM 386 CA TYR A 26 9.570 -4.097 -8.363 1.00 0.00 C ATOM 387 C TYR A 26 10.279 -2.828 -8.832 1.00 0.00 C ATOM 388 O TYR A 26 11.201 -2.914 -9.636 1.00 0.00 O ATOM 389 CB TYR A 26 8.353 -4.354 -9.259 1.00 0.00 C ATOM 390 CG TYR A 26 7.731 -5.729 -9.139 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.184 -6.769 -9.966 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.661 -5.956 -8.255 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.552 -8.021 -9.935 1.00 0.00 C ATOM 394 CE2 TYR A 26 6.028 -7.213 -8.207 1.00 0.00 C ATOM 395 CZ TYR A 26 6.457 -8.243 -9.074 1.00 0.00 C ATOM 396 OH TYR A 26 5.817 -9.438 -9.089 1.00 0.00 O ATOM 0 H TYR A 26 8.145 -4.263 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 26 10.287 -4.915 -8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.591 -3.609 -9.029 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.649 -4.198 -10.296 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.021 -6.605 -10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.322 -5.160 -7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.905 -8.818 -10.573 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.220 -7.389 -7.512 1.00 0.00 H new ATOM 0 HH TYR A 26 5.087 -9.426 -8.436 1.00 0.00 H new ATOM 406 N SER A 27 9.860 -1.657 -8.344 1.00 0.00 N ATOM 407 CA SER A 27 10.447 -0.374 -8.697 1.00 0.00 C ATOM 408 C SER A 27 11.018 0.345 -7.462 1.00 0.00 C ATOM 409 O SER A 27 11.306 1.539 -7.526 1.00 0.00 O ATOM 410 CB SER A 27 9.401 0.426 -9.492 1.00 0.00 C ATOM 411 OG SER A 27 10.026 1.445 -10.245 1.00 0.00 O ATOM 0 H SER A 27 9.089 -1.579 -7.681 1.00 0.00 H new ATOM 0 HA SER A 27 11.316 -0.502 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.852 -0.241 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.673 0.864 -8.809 1.00 0.00 H new ATOM 0 HG SER A 27 10.704 1.889 -9.695 1.00 0.00 H new ATOM 417 N ASN A 28 11.180 -0.369 -6.336 1.00 0.00 N ATOM 418 CA ASN A 28 11.696 0.140 -5.069 1.00 0.00 C ATOM 419 C ASN A 28 11.011 1.461 -4.704 1.00 0.00 C ATOM 420 O ASN A 28 11.661 2.440 -4.347 1.00 0.00 O ATOM 421 CB ASN A 28 13.233 0.252 -5.151 1.00 0.00 C ATOM 422 CG ASN A 28 13.935 0.718 -3.880 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.737 1.651 -3.878 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.725 0.049 -2.763 1.00 0.00 N ATOM 0 H ASN A 28 10.942 -1.360 -6.289 1.00 0.00 H new ATOM 0 HA ASN A 28 11.465 -0.554 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.635 -0.723 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.485 0.942 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.225 0.307 -1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.063 -0.727 -2.750 1.00 0.00 H new ATOM 431 N THR A 29 9.684 1.510 -4.837 1.00 0.00 N ATOM 432 CA THR A 29 8.919 2.705 -4.532 1.00 0.00 C ATOM 433 C THR A 29 7.483 2.318 -4.176 1.00 0.00 C ATOM 434 O THR A 29 7.196 1.155 -3.880 1.00 0.00 O ATOM 435 CB THR A 29 9.074 3.709 -5.693 1.00 0.00 C ATOM 436 OG1 THR A 29 8.782 5.019 -5.256 1.00 0.00 O ATOM 437 CG2 THR A 29 8.244 3.383 -6.936 1.00 0.00 C ATOM 0 H THR A 29 9.119 0.724 -5.158 1.00 0.00 H new ATOM 0 HA THR A 29 9.296 3.220 -3.649 1.00 0.00 H new ATOM 0 HB THR A 29 10.117 3.630 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.887 5.644 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.417 4.142 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.537 2.407 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.186 3.367 -6.673 1.00 0.00 H new ATOM 445 N CYS A 30 6.595 3.305 -4.153 1.00 0.00 N ATOM 446 CA CYS A 30 5.183 3.201 -3.852 1.00 0.00 C ATOM 447 C CYS A 30 4.396 4.057 -4.833 1.00 0.00 C ATOM 448 O CYS A 30 4.979 4.802 -5.626 1.00 0.00 O ATOM 449 CB CYS A 30 4.925 3.733 -2.454 1.00 0.00 C ATOM 450 SG CYS A 30 5.758 2.917 -1.089 1.00 0.00 S ATOM 0 H CYS A 30 6.869 4.266 -4.360 1.00 0.00 H new ATOM 0 HA CYS A 30 4.878 2.157 -3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.206 4.786 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.852 3.686 -2.269 1.00 0.00 H new ATOM 455 N HIS A 31 3.068 3.938 -4.803 1.00 0.00 N ATOM 456 CA HIS A 31 2.211 4.709 -5.672 1.00 0.00 C ATOM 457 C HIS A 31 0.820 4.823 -5.072 1.00 0.00 C ATOM 458 O HIS A 31 0.290 3.838 -4.552 1.00 0.00 O ATOM 459 CB HIS A 31 2.142 4.018 -7.037 1.00 0.00 C ATOM 460 CG HIS A 31 1.879 4.981 -8.162 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.040 4.768 -9.230 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.466 6.206 -8.331 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.141 5.822 -10.052 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.977 6.737 -9.528 1.00 0.00 N ATOM 0 H HIS A 31 2.570 3.306 -4.176 1.00 0.00 H new ATOM 0 HA HIS A 31 2.616 5.714 -5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.080 3.496 -7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.355 3.264 -7.019 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.175 6.675 -7.664 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.627 5.922 -10.996 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.210 7.646 -9.928 1.00 0.00 H new ATOM 472 N SER A 32 0.214 6.005 -5.131 1.00 0.00 N ATOM 473 CA SER A 32 -1.126 6.173 -4.601 1.00 0.00 C ATOM 474 C SER A 32 -2.107 5.363 -5.459 1.00 0.00 C ATOM 475 O SER A 32 -2.005 5.378 -6.689 1.00 0.00 O ATOM 476 CB SER A 32 -1.503 7.648 -4.563 1.00 0.00 C ATOM 477 OG SER A 32 -1.265 8.319 -5.798 1.00 0.00 O ATOM 0 H SER A 32 0.626 6.846 -5.535 1.00 0.00 H new ATOM 0 HA SER A 32 -1.168 5.803 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.558 7.741 -4.304 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.936 8.141 -3.773 1.00 0.00 H new ATOM 0 HG SER A 32 -1.527 9.260 -5.715 1.00 0.00 H new ATOM 483 N PHE A 33 -3.026 4.638 -4.829 1.00 0.00 N ATOM 484 CA PHE A 33 -4.061 3.814 -5.450 1.00 0.00 C ATOM 485 C PHE A 33 -5.374 4.048 -4.686 1.00 0.00 C ATOM 486 O PHE A 33 -5.457 4.921 -3.814 1.00 0.00 O ATOM 487 CB PHE A 33 -3.642 2.341 -5.600 1.00 0.00 C ATOM 488 CG PHE A 33 -3.880 1.482 -4.385 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.025 1.635 -3.299 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.943 0.566 -4.305 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.136 0.794 -2.194 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.185 -0.118 -3.101 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.274 0.007 -2.036 1.00 0.00 C ATOM 0 H PHE A 33 -3.072 4.607 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.219 4.117 -6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.183 1.910 -6.442 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.582 2.305 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.272 2.409 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.571 0.388 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.342 0.752 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.065 -0.736 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.456 -0.504 -1.102 1.00 0.00 H new ATOM 503 N THR A 34 -6.437 3.355 -5.055 1.00 0.00 N ATOM 504 CA THR A 34 -7.768 3.489 -4.428 1.00 0.00 C ATOM 505 C THR A 34 -8.039 2.325 -3.462 1.00 0.00 C ATOM 506 O THR A 34 -7.900 1.167 -3.869 1.00 0.00 O ATOM 507 CB THR A 34 -8.832 3.647 -5.530 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.610 2.737 -6.590 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.798 5.059 -6.131 1.00 0.00 C ATOM 0 H THR A 34 -6.414 2.669 -5.809 1.00 0.00 H new ATOM 0 HA THR A 34 -7.809 4.387 -3.812 1.00 0.00 H new ATOM 0 HB THR A 34 -9.796 3.454 -5.059 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.301 2.858 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.559 5.143 -6.906 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.995 5.792 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.816 5.246 -6.565 1.00 0.00 H new ATOM 517 N TYR A 35 -8.361 2.606 -2.184 1.00 0.00 N ATOM 518 CA TYR A 35 -8.621 1.575 -1.172 1.00 0.00 C ATOM 519 C TYR A 35 -10.070 1.605 -0.663 1.00 0.00 C ATOM 520 O TYR A 35 -10.864 2.464 -1.052 1.00 0.00 O ATOM 521 CB TYR A 35 -7.603 1.649 -0.024 1.00 0.00 C ATOM 522 CG TYR A 35 -7.499 0.444 0.893 1.00 0.00 C ATOM 523 CD1 TYR A 35 -6.946 -0.763 0.420 1.00 0.00 C ATOM 524 CD2 TYR A 35 -7.860 0.558 2.251 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.728 -1.834 1.301 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.651 -0.517 3.136 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.072 -1.715 2.666 1.00 0.00 C ATOM 528 OH TYR A 35 -6.802 -2.751 3.506 1.00 0.00 O ATOM 0 H TYR A 35 -8.447 3.558 -1.828 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.491 0.609 -1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.619 1.829 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.846 2.518 0.587 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.689 -0.864 -0.624 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.299 1.475 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.295 -2.753 0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.934 -0.425 4.174 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.919 -3.121 3.296 1.00 0.00 H new ATOM 538 N SER A 36 -10.419 0.658 0.210 1.00 0.00 N ATOM 539 CA SER A 36 -11.721 0.493 0.831 1.00 0.00 C ATOM 540 C SER A 36 -11.435 0.301 2.325 1.00 0.00 C ATOM 541 O SER A 36 -10.611 -0.542 2.674 1.00 0.00 O ATOM 542 CB SER A 36 -12.419 -0.705 0.166 1.00 0.00 C ATOM 543 OG SER A 36 -13.795 -0.805 0.441 1.00 0.00 O ATOM 0 H SER A 36 -9.755 -0.054 0.516 1.00 0.00 H new ATOM 0 HA SER A 36 -12.396 1.340 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.281 -0.636 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.929 -1.622 0.492 1.00 0.00 H new ATOM 0 HG SER A 36 -14.235 -1.315 -0.271 1.00 0.00 H new ATOM 549 N GLY A 37 -12.040 1.101 3.213 1.00 0.00 N ATOM 550 CA GLY A 37 -11.812 1.013 4.657 1.00 0.00 C ATOM 551 C GLY A 37 -12.163 -0.352 5.243 1.00 0.00 C ATOM 552 O GLY A 37 -11.602 -0.735 6.277 1.00 0.00 O ATOM 0 H GLY A 37 -12.703 1.829 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.765 1.232 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.404 1.779 5.158 1.00 0.00 H new ATOM 556 N CYS A 38 -13.117 -1.037 4.624 1.00 0.00 N ATOM 557 CA CYS A 38 -13.596 -2.358 4.969 1.00 0.00 C ATOM 558 C CYS A 38 -12.964 -3.261 3.916 1.00 0.00 C ATOM 559 O CYS A 38 -12.944 -2.916 2.730 1.00 0.00 O ATOM 560 CB CYS A 38 -15.125 -2.346 4.935 1.00 0.00 C ATOM 561 SG CYS A 38 -15.982 -3.947 4.929 1.00 0.00 S ATOM 0 H CYS A 38 -13.605 -0.653 3.815 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.329 -2.703 5.968 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.475 -1.781 5.799 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.436 -1.796 4.047 1.00 0.00 H new ATOM 566 N GLY A 39 -12.477 -4.428 4.328 1.00 0.00 N ATOM 567 CA GLY A 39 -11.830 -5.327 3.392 1.00 0.00 C ATOM 568 C GLY A 39 -10.414 -4.835 3.120 1.00 0.00 C ATOM 569 O GLY A 39 -9.925 -3.902 3.765 1.00 0.00 O ATOM 0 H GLY A 39 -12.519 -4.765 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.804 -6.338 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.397 -5.372 2.462 1.00 0.00 H new ATOM 573 N GLY A 40 -9.740 -5.456 2.157 1.00 0.00 N ATOM 574 CA GLY A 40 -8.383 -5.090 1.789 1.00 0.00 C ATOM 575 C GLY A 40 -7.340 -5.856 2.598 1.00 0.00 C ATOM 576 O GLY A 40 -7.677 -6.686 3.446 1.00 0.00 O ATOM 0 H GLY A 40 -10.123 -6.228 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.231 -5.284 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.243 -4.020 1.940 1.00 0.00 H new ATOM 580 N ASN A 41 -6.060 -5.633 2.287 1.00 0.00 N ATOM 581 CA ASN A 41 -4.933 -6.279 2.957 1.00 0.00 C ATOM 582 C ASN A 41 -3.974 -5.223 3.487 1.00 0.00 C ATOM 583 O ASN A 41 -3.980 -4.073 3.051 1.00 0.00 O ATOM 584 CB ASN A 41 -4.188 -7.252 2.025 1.00 0.00 C ATOM 585 CG ASN A 41 -4.838 -8.630 1.995 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.853 -9.327 3.007 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.347 -9.051 0.856 1.00 0.00 N ATOM 0 H ASN A 41 -5.775 -4.988 1.550 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.331 -6.863 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.165 -6.841 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.153 -7.347 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.768 -9.978 0.797 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.320 -8.450 0.032 1.00 0.00 H new ATOM 594 N ALA A 42 -3.063 -5.666 4.355 1.00 0.00 N ATOM 595 CA ALA A 42 -2.058 -4.844 5.011 1.00 0.00 C ATOM 596 C ALA A 42 -1.136 -4.064 4.069 1.00 0.00 C ATOM 597 O ALA A 42 -0.426 -3.197 4.579 1.00 0.00 O ATOM 598 CB ALA A 42 -1.207 -5.721 5.939 1.00 0.00 C ATOM 0 H ALA A 42 -3.007 -6.647 4.628 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.617 -4.090 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.454 -5.106 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.847 -6.182 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.715 -6.499 5.355 1.00 0.00 H new ATOM 604 N ASN A 43 -1.104 -4.313 2.749 1.00 0.00 N ATOM 605 CA ASN A 43 -0.217 -3.533 1.879 1.00 0.00 C ATOM 606 C ASN A 43 -0.642 -2.075 1.716 1.00 0.00 C ATOM 607 O ASN A 43 0.029 -1.314 1.019 1.00 0.00 O ATOM 608 CB ASN A 43 -0.017 -4.191 0.518 1.00 0.00 C ATOM 609 CG ASN A 43 -1.204 -3.970 -0.396 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.251 -4.585 -0.220 1.00 0.00 O ATOM 611 ND2 ASN A 43 -1.055 -3.078 -1.360 1.00 0.00 N ATOM 0 H ASN A 43 -1.662 -5.024 2.276 1.00 0.00 H new ATOM 0 HA ASN A 43 0.742 -3.522 2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.882 -3.790 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.144 -5.261 0.652 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.829 -2.878 -1.994 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.166 -2.590 -1.470 1.00 0.00 H new ATOM 618 N ARG A 44 -1.770 -1.703 2.313 1.00 0.00 N ATOM 619 CA ARG A 44 -2.308 -0.370 2.294 1.00 0.00 C ATOM 620 C ARG A 44 -1.522 0.530 3.242 1.00 0.00 C ATOM 621 O ARG A 44 -1.357 0.183 4.415 1.00 0.00 O ATOM 622 CB ARG A 44 -3.764 -0.473 2.768 1.00 0.00 C ATOM 623 CG ARG A 44 -4.391 0.912 2.919 1.00 0.00 C ATOM 624 CD ARG A 44 -4.552 1.448 4.325 1.00 0.00 C ATOM 625 NE ARG A 44 -4.885 2.865 4.188 1.00 0.00 N ATOM 626 CZ ARG A 44 -4.749 3.811 5.118 1.00 0.00 C ATOM 627 NH1 ARG A 44 -4.359 3.505 6.352 1.00 0.00 N ATOM 628 NH2 ARG A 44 -5.000 5.066 4.781 1.00 0.00 N ATOM 0 H ARG A 44 -2.348 -2.357 2.841 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.245 0.059 1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.341 -1.061 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.803 -1.000 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.785 1.621 2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.375 0.890 2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.339 0.913 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.634 1.318 4.898 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.261 3.161 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.159 2.535 6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.260 4.240 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.290 5.290 3.829 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.904 5.809 5.473 1.00 0.00 H new ATOM 642 N PHE A 45 -1.167 1.724 2.769 1.00 0.00 N ATOM 643 CA PHE A 45 -0.462 2.758 3.516 1.00 0.00 C ATOM 644 C PHE A 45 -1.251 4.060 3.429 1.00 0.00 C ATOM 645 O PHE A 45 -2.182 4.187 2.640 1.00 0.00 O ATOM 646 CB PHE A 45 0.965 2.927 3.002 1.00 0.00 C ATOM 647 CG PHE A 45 1.818 1.753 3.386 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.303 1.646 4.702 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.061 0.734 2.452 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.050 0.523 5.074 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.831 -0.374 2.824 1.00 0.00 C ATOM 652 CZ PHE A 45 3.354 -0.466 4.125 1.00 0.00 C ATOM 0 H PHE A 45 -1.374 2.007 1.811 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.386 2.463 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.954 3.034 1.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.396 3.842 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.100 2.426 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.657 0.804 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.393 0.417 6.092 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.024 -1.160 2.109 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.989 -1.297 4.395 1.00 0.00 H new ATOM 662 N ARG A 46 -0.876 5.044 4.245 1.00 0.00 N ATOM 663 CA ARG A 46 -1.510 6.360 4.333 1.00 0.00 C ATOM 664 C ARG A 46 -0.679 7.457 3.685 1.00 0.00 C ATOM 665 O ARG A 46 -1.172 8.567 3.510 1.00 0.00 O ATOM 666 CB ARG A 46 -1.869 6.692 5.798 1.00 0.00 C ATOM 667 CG ARG A 46 -0.983 6.093 6.908 1.00 0.00 C ATOM 668 CD ARG A 46 0.522 6.363 6.803 1.00 0.00 C ATOM 669 NE ARG A 46 0.836 7.798 6.861 1.00 0.00 N ATOM 670 CZ ARG A 46 1.515 8.412 7.835 1.00 0.00 C ATOM 671 NH1 ARG A 46 2.094 7.738 8.816 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.618 9.729 7.804 1.00 0.00 N ATOM 0 H ARG A 46 -0.091 4.943 4.889 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.436 6.314 3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.857 7.776 5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.894 6.365 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.332 6.476 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.136 5.014 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.039 5.847 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.899 5.948 5.868 1.00 0.00 H new ATOM 0 HE ARG A 46 0.506 8.377 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.029 6.720 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.605 8.236 9.545 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.184 10.257 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.132 10.218 8.537 1.00 0.00 H new ATOM 686 N THR A 47 0.599 7.203 3.419 1.00 0.00 N ATOM 687 CA THR A 47 1.476 8.154 2.774 1.00 0.00 C ATOM 688 C THR A 47 2.690 7.411 2.250 1.00 0.00 C ATOM 689 O THR A 47 3.031 6.335 2.763 1.00 0.00 O ATOM 690 CB THR A 47 1.855 9.309 3.719 1.00 0.00 C ATOM 691 OG1 THR A 47 2.341 10.414 2.984 1.00 0.00 O ATOM 692 CG2 THR A 47 2.920 8.862 4.720 1.00 0.00 C ATOM 0 H THR A 47 1.052 6.319 3.651 1.00 0.00 H new ATOM 0 HA THR A 47 0.960 8.621 1.935 1.00 0.00 H new ATOM 0 HB THR A 47 0.956 9.604 4.261 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.575 11.139 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.173 9.694 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.536 8.033 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.812 8.540 4.183 1.00 0.00 H new ATOM 700 N ILE A 48 3.364 8.023 1.281 1.00 0.00 N ATOM 701 CA ILE A 48 4.557 7.456 0.703 1.00 0.00 C ATOM 702 C ILE A 48 5.714 7.516 1.698 1.00 0.00 C ATOM 703 O ILE A 48 6.607 6.683 1.654 1.00 0.00 O ATOM 704 CB ILE A 48 4.918 8.090 -0.652 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.176 7.404 -1.231 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.067 9.620 -0.565 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.378 7.647 -2.725 1.00 0.00 C ATOM 0 H ILE A 48 3.092 8.922 0.882 1.00 0.00 H new ATOM 0 HA ILE A 48 4.352 6.407 0.489 1.00 0.00 H new ATOM 0 HB ILE A 48 4.090 7.921 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.054 7.761 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.108 6.331 -1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.322 10.017 -1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.127 10.059 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.857 9.869 0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.280 7.134 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.519 7.264 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.479 8.717 -2.909 1.00 0.00 H new ATOM 719 N ASP A 49 5.706 8.481 2.616 1.00 0.00 N ATOM 720 CA ASP A 49 6.778 8.638 3.600 1.00 0.00 C ATOM 721 C ASP A 49 6.832 7.439 4.536 1.00 0.00 C ATOM 722 O ASP A 49 7.885 7.091 5.054 1.00 0.00 O ATOM 723 CB ASP A 49 6.588 9.886 4.468 1.00 0.00 C ATOM 724 CG ASP A 49 6.317 11.175 3.711 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.864 11.415 2.614 1.00 0.00 O ATOM 726 OD2 ASP A 49 5.464 11.949 4.204 1.00 0.00 O ATOM 0 H ASP A 49 4.961 9.173 2.699 1.00 0.00 H new ATOM 0 HA ASP A 49 7.701 8.728 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.760 9.707 5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.482 10.024 5.076 1.00 0.00 H new ATOM 731 N GLU A 50 5.672 6.838 4.805 1.00 0.00 N ATOM 732 CA GLU A 50 5.549 5.689 5.677 1.00 0.00 C ATOM 733 C GLU A 50 5.856 4.450 4.853 1.00 0.00 C ATOM 734 O GLU A 50 6.712 3.652 5.221 1.00 0.00 O ATOM 735 CB GLU A 50 4.124 5.644 6.259 1.00 0.00 C ATOM 736 CG GLU A 50 3.994 4.988 7.632 1.00 0.00 C ATOM 737 CD GLU A 50 4.735 3.666 7.793 1.00 0.00 C ATOM 738 OE1 GLU A 50 4.150 2.604 7.503 1.00 0.00 O ATOM 739 OE2 GLU A 50 5.870 3.696 8.315 1.00 0.00 O ATOM 0 H GLU A 50 4.783 7.147 4.413 1.00 0.00 H new ATOM 0 HA GLU A 50 6.245 5.745 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.745 6.664 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.481 5.111 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.360 5.685 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.937 4.821 7.838 1.00 0.00 H new ATOM 746 N CYS A 51 5.197 4.322 3.698 1.00 0.00 N ATOM 747 CA CYS A 51 5.391 3.157 2.858 1.00 0.00 C ATOM 748 C CYS A 51 6.849 2.976 2.415 1.00 0.00 C ATOM 749 O CYS A 51 7.359 1.851 2.384 1.00 0.00 O ATOM 750 CB CYS A 51 4.408 3.192 1.682 1.00 0.00 C ATOM 751 SG CYS A 51 5.021 4.148 0.305 1.00 0.00 S ATOM 0 H CYS A 51 4.534 5.006 3.334 1.00 0.00 H new ATOM 0 HA CYS A 51 5.172 2.271 3.453 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.206 2.173 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.460 3.612 2.018 1.00 0.00 H new ATOM 756 N ASN A 52 7.544 4.069 2.093 1.00 0.00 N ATOM 757 CA ASN A 52 8.917 3.994 1.651 1.00 0.00 C ATOM 758 C ASN A 52 9.799 3.716 2.856 1.00 0.00 C ATOM 759 O ASN A 52 10.468 2.685 2.859 1.00 0.00 O ATOM 760 CB ASN A 52 9.327 5.170 0.749 1.00 0.00 C ATOM 761 CG ASN A 52 10.043 6.301 1.452 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.213 6.185 1.803 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.335 7.388 1.655 1.00 0.00 N ATOM 0 H ASN A 52 7.166 5.016 2.134 1.00 0.00 H new ATOM 0 HA ASN A 52 9.054 3.153 0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.971 4.791 -0.045 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.433 5.569 0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.755 8.190 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.365 7.431 1.342 1.00 0.00 H new ATOM 770 N ARG A 53 9.715 4.502 3.935 1.00 0.00 N ATOM 771 CA ARG A 53 10.569 4.240 5.098 1.00 0.00 C ATOM 772 C ARG A 53 10.388 2.823 5.670 1.00 0.00 C ATOM 773 O ARG A 53 11.342 2.244 6.194 1.00 0.00 O ATOM 774 CB ARG A 53 10.408 5.350 6.155 1.00 0.00 C ATOM 775 CG ARG A 53 9.255 5.143 7.150 1.00 0.00 C ATOM 776 CD ARG A 53 9.098 6.330 8.108 1.00 0.00 C ATOM 777 NE ARG A 53 10.181 6.356 9.108 1.00 0.00 N ATOM 778 CZ ARG A 53 11.142 7.273 9.265 1.00 0.00 C ATOM 779 NH1 ARG A 53 11.197 8.361 8.509 1.00 0.00 N ATOM 780 NH2 ARG A 53 12.068 7.102 10.203 1.00 0.00 N ATOM 0 H ARG A 53 9.086 5.300 4.028 1.00 0.00 H new ATOM 0 HA ARG A 53 11.604 4.268 4.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.339 5.434 6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.258 6.300 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.325 4.996 6.601 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.432 4.234 7.726 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.101 7.261 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.134 6.268 8.613 1.00 0.00 H new ATOM 0 HE ARG A 53 10.200 5.575 9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.495 8.515 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.941 9.044 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.044 6.275 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.803 7.798 10.327 1.00 0.00 H new ATOM 794 N THR A 54 9.210 2.215 5.509 1.00 0.00 N ATOM 795 CA THR A 54 8.913 0.888 6.026 1.00 0.00 C ATOM 796 C THR A 54 9.155 -0.270 5.035 1.00 0.00 C ATOM 797 O THR A 54 9.230 -1.410 5.497 1.00 0.00 O ATOM 798 CB THR A 54 7.495 0.946 6.620 1.00 0.00 C ATOM 799 OG1 THR A 54 7.386 0.154 7.783 1.00 0.00 O ATOM 800 CG2 THR A 54 6.398 0.580 5.624 1.00 0.00 C ATOM 0 H THR A 54 8.430 2.641 5.009 1.00 0.00 H new ATOM 0 HA THR A 54 9.629 0.633 6.807 1.00 0.00 H new ATOM 0 HB THR A 54 7.338 1.991 6.887 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.474 0.214 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.426 0.643 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.426 1.272 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.558 -0.436 5.264 1.00 0.00 H new ATOM 808 N CYS A 55 9.317 -0.050 3.720 1.00 0.00 N ATOM 809 CA CYS A 55 9.540 -1.146 2.764 1.00 0.00 C ATOM 810 C CYS A 55 10.526 -0.843 1.639 1.00 0.00 C ATOM 811 O CYS A 55 11.013 -1.777 1.001 1.00 0.00 O ATOM 812 CB CYS A 55 8.232 -1.583 2.110 1.00 0.00 C ATOM 813 SG CYS A 55 6.921 -2.136 3.210 1.00 0.00 S ATOM 0 H CYS A 55 9.298 0.877 3.295 1.00 0.00 H new ATOM 0 HA CYS A 55 9.974 -1.933 3.381 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.852 -0.749 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.454 -2.391 1.413 1.00 0.00 H new ATOM 818 N VAL A 56 10.762 0.419 1.308 1.00 0.00 N ATOM 819 CA VAL A 56 11.715 0.810 0.267 1.00 0.00 C ATOM 820 C VAL A 56 13.095 0.659 0.913 1.00 0.00 C ATOM 821 O VAL A 56 13.621 1.573 1.559 1.00 0.00 O ATOM 822 CB VAL A 56 11.382 2.212 -0.280 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.449 2.878 -1.150 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.090 2.116 -1.110 1.00 0.00 C ATOM 0 H VAL A 56 10.297 1.209 1.755 1.00 0.00 H new ATOM 0 HA VAL A 56 11.675 0.186 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 56 11.295 2.842 0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.096 3.858 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.367 2.994 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.645 2.257 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.838 3.100 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.239 1.420 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.277 1.760 -0.477 1.00 0.00 H new ATOM 834 N GLY A 57 13.639 -0.553 0.816 1.00 0.00 N ATOM 835 CA GLY A 57 14.936 -0.915 1.356 1.00 0.00 C ATOM 836 C GLY A 57 16.022 -0.464 0.412 1.00 0.00 C ATOM 837 O GLY A 57 17.158 -0.281 0.902 1.00 0.00 O ATOM 0 H GLY A 57 13.171 -1.328 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.076 -0.454 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.992 -1.994 1.502 1.00 0.00 H new