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+ 171:sc= 0 (180deg=-0.0481) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 13 SER OG : rot 92:sc= 0.0799 USER MOD Single : A 20 SER OG : rot 180:sc= 0 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 51:sc= 1.17 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN :FLIP amide:sc= 0.441 F(o=-2.6!,f=0.44) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -38:sc= 0.0589 USER MOD Single : A 28 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.47) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 31 HIS : no HD1:sc= -0.245 X(o=-0.24,f=-0.071) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0306 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 35 TYR OH : rot 30:sc= 0.142 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 1.01 K(o=1,f=-0.051) USER MOD Single : A 43 ASN : amide:sc= -0.889! C(o=-0.89!,f=-7.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0582 X(o=-0.058,f=-0.45) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.205 -5.671 2.779 1.00 0.00 N ATOM 2 CA ARG A 1 10.805 -5.330 2.498 1.00 0.00 C ATOM 3 C ARG A 1 9.907 -6.386 3.170 1.00 0.00 C ATOM 4 O ARG A 1 9.913 -7.540 2.741 1.00 0.00 O ATOM 5 CB ARG A 1 10.601 -5.165 0.987 1.00 0.00 C ATOM 6 CG ARG A 1 10.940 -6.350 0.057 1.00 0.00 C ATOM 7 CD ARG A 1 11.838 -5.893 -1.105 1.00 0.00 C ATOM 8 NE ARG A 1 13.278 -5.905 -0.770 1.00 0.00 N ATOM 9 CZ ARG A 1 14.224 -6.654 -1.365 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.890 -7.623 -2.216 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.515 -6.437 -1.111 1.00 0.00 N ATOM 0 H1 ARG A 1 12.831 -5.064 2.212 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.402 -5.524 3.789 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.375 -6.667 2.535 1.00 0.00 H new ATOM 0 HA ARG A 1 10.522 -4.367 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.556 -4.904 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.197 -4.311 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.443 -7.132 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.021 -6.784 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.666 -6.541 -1.964 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.550 -4.885 -1.403 1.00 0.00 H new ATOM 0 HE ARG A 1 13.583 -5.288 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.908 -7.804 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.617 -8.184 -2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.790 -5.700 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.227 -7.008 -1.565 1.00 0.00 H new ATOM 25 N PRO A 2 9.178 -6.045 4.249 1.00 0.00 N ATOM 26 CA PRO A 2 8.317 -6.974 4.986 1.00 0.00 C ATOM 27 C PRO A 2 7.194 -7.553 4.115 1.00 0.00 C ATOM 28 O PRO A 2 6.637 -6.851 3.266 1.00 0.00 O ATOM 29 CB PRO A 2 7.755 -6.155 6.156 1.00 0.00 C ATOM 30 CG PRO A 2 7.779 -4.736 5.632 1.00 0.00 C ATOM 31 CD PRO A 2 9.087 -4.725 4.842 1.00 0.00 C ATOM 0 HA PRO A 2 8.879 -7.844 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.745 -6.470 6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.366 -6.263 7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.917 -4.517 5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.780 -4.001 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.080 -3.948 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.939 -4.525 5.492 1.00 0.00 H new ATOM 39 N ARG A 3 6.797 -8.807 4.366 1.00 0.00 N ATOM 40 CA ARG A 3 5.754 -9.502 3.601 1.00 0.00 C ATOM 41 C ARG A 3 4.405 -8.812 3.592 1.00 0.00 C ATOM 42 O ARG A 3 3.601 -9.068 2.704 1.00 0.00 O ATOM 43 CB ARG A 3 5.600 -10.983 4.017 1.00 0.00 C ATOM 44 CG ARG A 3 5.026 -11.340 5.407 1.00 0.00 C ATOM 45 CD ARG A 3 3.535 -11.055 5.666 1.00 0.00 C ATOM 46 NE ARG A 3 3.035 -11.719 6.889 1.00 0.00 N ATOM 47 CZ ARG A 3 2.648 -13.000 7.007 1.00 0.00 C ATOM 48 NH1 ARG A 3 2.666 -13.823 5.969 1.00 0.00 N ATOM 49 NH2 ARG A 3 2.228 -13.471 8.174 1.00 0.00 N ATOM 0 H ARG A 3 7.196 -9.374 5.114 1.00 0.00 H new ATOM 0 HA ARG A 3 6.120 -9.464 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.967 -11.465 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.585 -11.444 3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.198 -12.403 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.605 -10.800 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.384 -9.979 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 3 2.950 -11.391 4.809 1.00 0.00 H new ATOM 0 HE ARG A 3 2.978 -11.145 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.978 -13.488 5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.368 -14.792 6.081 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.197 -12.859 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.936 -14.445 8.256 1.00 0.00 H new ATOM 63 N PHE A 4 4.116 -7.950 4.563 1.00 0.00 N ATOM 64 CA PHE A 4 2.817 -7.302 4.577 1.00 0.00 C ATOM 65 C PHE A 4 2.693 -6.238 3.482 1.00 0.00 C ATOM 66 O PHE A 4 1.582 -5.943 3.042 1.00 0.00 O ATOM 67 CB PHE A 4 2.539 -6.754 5.972 1.00 0.00 C ATOM 68 CG PHE A 4 3.145 -5.408 6.264 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.489 -4.249 5.828 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.333 -5.307 7.001 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.968 -2.990 6.206 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.868 -4.043 7.291 1.00 0.00 C ATOM 73 CZ PHE A 4 4.176 -2.882 6.915 1.00 0.00 C ATOM 0 H PHE A 4 4.743 -7.693 5.325 1.00 0.00 H new ATOM 0 HA PHE A 4 2.050 -8.041 4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.460 -6.686 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.910 -7.469 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.614 -4.328 5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.835 -6.199 7.345 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.409 -2.101 5.953 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.815 -3.964 7.805 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.570 -1.909 7.170 1.00 0.00 H new ATOM 83 N CYS A 5 3.813 -5.664 3.033 1.00 0.00 N ATOM 84 CA CYS A 5 3.792 -4.642 2.005 1.00 0.00 C ATOM 85 C CYS A 5 3.569 -5.206 0.607 1.00 0.00 C ATOM 86 O CYS A 5 3.207 -4.454 -0.287 1.00 0.00 O ATOM 87 CB CYS A 5 5.120 -3.888 2.035 1.00 0.00 C ATOM 88 SG CYS A 5 5.168 -2.657 3.340 1.00 0.00 S ATOM 0 H CYS A 5 4.746 -5.897 3.373 1.00 0.00 H new ATOM 0 HA CYS A 5 2.953 -3.980 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.936 -4.597 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.282 -3.402 1.073 1.00 0.00 H new ATOM 93 N GLU A 6 3.743 -6.508 0.396 1.00 0.00 N ATOM 94 CA GLU A 6 3.582 -7.098 -0.942 1.00 0.00 C ATOM 95 C GLU A 6 2.234 -7.786 -1.154 1.00 0.00 C ATOM 96 O GLU A 6 2.059 -8.534 -2.122 1.00 0.00 O ATOM 97 CB GLU A 6 4.791 -7.987 -1.256 1.00 0.00 C ATOM 98 CG GLU A 6 4.710 -9.353 -0.557 1.00 0.00 C ATOM 99 CD GLU A 6 6.057 -9.899 -0.089 1.00 0.00 C ATOM 100 OE1 GLU A 6 6.945 -9.120 0.329 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.203 -11.142 -0.066 1.00 0.00 O ATOM 0 H GLU A 6 3.994 -7.176 1.125 1.00 0.00 H new ATOM 0 HA GLU A 6 3.561 -6.288 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.859 -8.137 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.704 -7.477 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.046 -9.269 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.257 -10.072 -1.240 1.00 0.00 H new ATOM 108 N LEU A 7 1.281 -7.586 -0.243 1.00 0.00 N ATOM 109 CA LEU A 7 -0.038 -8.203 -0.350 1.00 0.00 C ATOM 110 C LEU A 7 -0.863 -7.467 -1.411 1.00 0.00 C ATOM 111 O LEU A 7 -0.468 -6.399 -1.884 1.00 0.00 O ATOM 112 CB LEU A 7 -0.745 -8.218 1.013 1.00 0.00 C ATOM 113 CG LEU A 7 0.059 -8.839 2.174 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.802 -8.819 3.436 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.550 -10.269 1.956 1.00 0.00 C ATOM 0 H LEU A 7 1.401 -6.998 0.581 1.00 0.00 H new ATOM 0 HA LEU A 7 0.073 -9.241 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.002 -7.193 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.682 -8.765 0.910 1.00 0.00 H new ATOM 0 HG LEU A 7 0.957 -8.227 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.244 -9.256 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.067 -7.790 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.710 -9.397 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.102 -10.602 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.304 -10.926 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.203 -10.300 1.084 1.00 0.00 H new ATOM 127 N ALA A 8 -2.003 -8.025 -1.809 1.00 0.00 N ATOM 128 CA ALA A 8 -2.885 -7.424 -2.806 1.00 0.00 C ATOM 129 C ALA A 8 -3.976 -6.669 -2.039 1.00 0.00 C ATOM 130 O ALA A 8 -4.781 -7.317 -1.366 1.00 0.00 O ATOM 131 CB ALA A 8 -3.462 -8.498 -3.724 1.00 0.00 C ATOM 0 H ALA A 8 -2.344 -8.915 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.345 -6.732 -3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.117 -8.033 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.650 -9.015 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.032 -9.214 -3.132 1.00 0.00 H new ATOM 137 N PRO A 9 -4.002 -5.329 -2.047 1.00 0.00 N ATOM 138 CA PRO A 9 -4.999 -4.560 -1.321 1.00 0.00 C ATOM 139 C PRO A 9 -6.388 -4.644 -1.979 1.00 0.00 C ATOM 140 O PRO A 9 -6.693 -3.852 -2.867 1.00 0.00 O ATOM 141 CB PRO A 9 -4.434 -3.140 -1.280 1.00 0.00 C ATOM 142 CG PRO A 9 -3.635 -3.030 -2.579 1.00 0.00 C ATOM 143 CD PRO A 9 -3.112 -4.447 -2.790 1.00 0.00 C ATOM 0 HA PRO A 9 -5.170 -4.945 -0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.228 -2.394 -1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.801 -2.986 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.261 -2.704 -3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.822 -2.310 -2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.105 -4.705 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.086 -4.540 -2.433 1.00 0.00 H new ATOM 151 N SER A 10 -7.241 -5.553 -1.497 1.00 0.00 N ATOM 152 CA SER A 10 -8.612 -5.813 -1.941 1.00 0.00 C ATOM 153 C SER A 10 -9.546 -4.609 -1.694 1.00 0.00 C ATOM 154 O SER A 10 -10.436 -4.644 -0.846 1.00 0.00 O ATOM 155 CB SER A 10 -9.143 -7.073 -1.227 1.00 0.00 C ATOM 156 OG SER A 10 -8.116 -8.024 -0.984 1.00 0.00 O ATOM 0 H SER A 10 -6.971 -6.170 -0.731 1.00 0.00 H new ATOM 0 HA SER A 10 -8.597 -5.977 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.602 -6.786 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.924 -7.531 -1.834 1.00 0.00 H new ATOM 0 HG SER A 10 -8.494 -8.805 -0.529 1.00 0.00 H new ATOM 162 N ALA A 11 -9.371 -3.530 -2.451 1.00 0.00 N ATOM 163 CA ALA A 11 -10.148 -2.298 -2.365 1.00 0.00 C ATOM 164 C ALA A 11 -11.616 -2.462 -2.791 1.00 0.00 C ATOM 165 O ALA A 11 -12.368 -1.490 -2.769 1.00 0.00 O ATOM 166 CB ALA A 11 -9.471 -1.258 -3.260 1.00 0.00 C ATOM 0 H ALA A 11 -8.652 -3.489 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.171 -1.990 -1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.029 -0.323 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.452 -1.088 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.449 -1.621 -4.287 1.00 0.00 H new ATOM 172 N GLY A 12 -12.020 -3.652 -3.232 1.00 0.00 N ATOM 173 CA GLY A 12 -13.370 -3.929 -3.704 1.00 0.00 C ATOM 174 C GLY A 12 -14.300 -4.622 -2.723 1.00 0.00 C ATOM 175 O GLY A 12 -15.515 -4.574 -2.934 1.00 0.00 O ATOM 0 H GLY A 12 -11.404 -4.464 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.828 -2.986 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.299 -4.545 -4.600 1.00 0.00 H new ATOM 179 N SER A 13 -13.757 -5.232 -1.671 1.00 0.00 N ATOM 180 CA SER A 13 -14.491 -5.961 -0.651 1.00 0.00 C ATOM 181 C SER A 13 -15.625 -5.130 -0.045 1.00 0.00 C ATOM 182 O SER A 13 -16.802 -5.438 -0.263 1.00 0.00 O ATOM 183 CB SER A 13 -13.482 -6.436 0.389 1.00 0.00 C ATOM 184 OG SER A 13 -12.385 -7.086 -0.224 1.00 0.00 O ATOM 0 H SER A 13 -12.751 -5.229 -1.504 1.00 0.00 H new ATOM 0 HA SER A 13 -14.992 -6.823 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.126 -5.585 0.970 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.968 -7.117 1.087 1.00 0.00 H new ATOM 0 HG SER A 13 -11.673 -6.435 -0.395 1.00 0.00 H new ATOM 190 N CYS A 14 -15.308 -4.145 0.793 1.00 0.00 N ATOM 191 CA CYS A 14 -16.306 -3.275 1.398 1.00 0.00 C ATOM 192 C CYS A 14 -16.474 -2.103 0.436 1.00 0.00 C ATOM 193 O CYS A 14 -15.486 -1.683 -0.174 1.00 0.00 O ATOM 194 CB CYS A 14 -15.834 -2.838 2.784 1.00 0.00 C ATOM 195 SG CYS A 14 -15.735 -4.240 3.930 1.00 0.00 S ATOM 0 H CYS A 14 -14.350 -3.930 1.070 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.265 -3.770 1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.856 -2.364 2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.519 -2.089 3.183 1.00 0.00 H new ATOM 200 N PHE A 15 -17.682 -1.549 0.307 1.00 0.00 N ATOM 201 CA PHE A 15 -17.854 -0.446 -0.621 1.00 0.00 C ATOM 202 C PHE A 15 -17.563 0.857 0.099 1.00 0.00 C ATOM 203 O PHE A 15 -18.343 1.320 0.932 1.00 0.00 O ATOM 204 CB PHE A 15 -19.268 -0.431 -1.214 1.00 0.00 C ATOM 205 CG PHE A 15 -19.401 0.489 -2.419 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.243 1.885 -2.295 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.646 -0.063 -3.688 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.318 2.711 -3.428 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.721 0.763 -4.821 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.562 2.150 -4.690 1.00 0.00 C ATOM 0 H PHE A 15 -18.520 -1.836 0.813 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.157 -0.570 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.544 -1.444 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.974 -0.117 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.063 2.321 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.777 -1.130 -3.792 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.188 3.778 -3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.901 0.330 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.627 2.786 -5.560 1.00 0.00 H new ATOM 220 N ALA A 16 -16.406 1.429 -0.216 1.00 0.00 N ATOM 221 CA ALA A 16 -15.953 2.698 0.313 1.00 0.00 C ATOM 222 C ALA A 16 -15.064 3.378 -0.721 1.00 0.00 C ATOM 223 O ALA A 16 -14.655 2.753 -1.705 1.00 0.00 O ATOM 224 CB ALA A 16 -15.255 2.509 1.654 1.00 0.00 C ATOM 0 H ALA A 16 -15.743 1.006 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.807 3.348 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.924 3.476 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.949 2.060 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.393 1.855 1.526 1.00 0.00 H new ATOM 230 N PHE A 17 -14.761 4.654 -0.497 1.00 0.00 N ATOM 231 CA PHE A 17 -13.903 5.448 -1.361 1.00 0.00 C ATOM 232 C PHE A 17 -12.903 6.183 -0.461 1.00 0.00 C ATOM 233 O PHE A 17 -13.273 7.181 0.162 1.00 0.00 O ATOM 234 CB PHE A 17 -14.806 6.363 -2.206 1.00 0.00 C ATOM 235 CG PHE A 17 -14.257 6.920 -3.506 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.909 6.770 -3.883 1.00 0.00 C ATOM 237 CD2 PHE A 17 -15.135 7.605 -4.366 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.444 7.292 -5.099 1.00 0.00 C ATOM 239 CE2 PHE A 17 -14.662 8.150 -5.570 1.00 0.00 C ATOM 240 CZ PHE A 17 -13.314 8.012 -5.934 1.00 0.00 C ATOM 0 H PHE A 17 -15.114 5.172 0.308 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.317 4.859 -2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.714 5.808 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.100 7.207 -1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.226 6.248 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.176 7.712 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.416 7.140 -5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.341 8.680 -6.221 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.949 8.456 -6.848 1.00 0.00 H new ATOM 250 N VAL A 18 -11.689 5.656 -0.296 1.00 0.00 N ATOM 251 CA VAL A 18 -10.624 6.243 0.519 1.00 0.00 C ATOM 252 C VAL A 18 -9.287 6.105 -0.234 1.00 0.00 C ATOM 253 O VAL A 18 -8.777 4.987 -0.338 1.00 0.00 O ATOM 254 CB VAL A 18 -10.607 5.648 1.949 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.710 6.272 2.817 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.794 4.124 2.008 1.00 0.00 C ATOM 0 H VAL A 18 -11.411 4.781 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.808 7.307 0.668 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.611 5.884 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.677 5.837 3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.554 7.349 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.683 6.073 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.769 3.794 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.754 3.858 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.992 3.637 1.453 1.00 0.00 H new ATOM 266 N PRO A 19 -8.690 7.175 -0.787 1.00 0.00 N ATOM 267 CA PRO A 19 -7.430 7.056 -1.507 1.00 0.00 C ATOM 268 C PRO A 19 -6.313 6.715 -0.523 1.00 0.00 C ATOM 269 O PRO A 19 -6.109 7.450 0.450 1.00 0.00 O ATOM 270 CB PRO A 19 -7.208 8.401 -2.203 1.00 0.00 C ATOM 271 CG PRO A 19 -7.998 9.392 -1.351 1.00 0.00 C ATOM 272 CD PRO A 19 -9.139 8.558 -0.757 1.00 0.00 C ATOM 0 HA PRO A 19 -7.442 6.257 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.150 8.661 -2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.568 8.383 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.376 9.828 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.380 10.217 -1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.361 8.873 0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.054 8.683 -1.336 1.00 0.00 H new ATOM 280 N SER A 20 -5.612 5.605 -0.760 1.00 0.00 N ATOM 281 CA SER A 20 -4.497 5.138 0.080 1.00 0.00 C ATOM 282 C SER A 20 -3.218 4.860 -0.769 1.00 0.00 C ATOM 283 O SER A 20 -3.217 5.135 -1.968 1.00 0.00 O ATOM 284 CB SER A 20 -4.987 3.984 0.966 1.00 0.00 C ATOM 285 OG SER A 20 -6.255 4.271 1.550 1.00 0.00 O ATOM 0 H SER A 20 -5.803 4.992 -1.553 1.00 0.00 H new ATOM 0 HA SER A 20 -4.169 5.919 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.058 3.073 0.371 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.258 3.795 1.754 1.00 0.00 H new ATOM 0 HG SER A 20 -6.538 3.515 2.106 1.00 0.00 H new ATOM 291 N TYR A 21 -2.110 4.339 -0.213 1.00 0.00 N ATOM 292 CA TYR A 21 -0.845 4.073 -0.942 1.00 0.00 C ATOM 293 C TYR A 21 -0.532 2.589 -1.118 1.00 0.00 C ATOM 294 O TYR A 21 -0.732 1.818 -0.181 1.00 0.00 O ATOM 295 CB TYR A 21 0.342 4.742 -0.241 1.00 0.00 C ATOM 296 CG TYR A 21 0.626 6.150 -0.706 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.011 7.214 -0.049 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.512 6.409 -1.775 1.00 0.00 C ATOM 299 CE1 TYR A 21 0.239 8.537 -0.437 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.725 7.731 -2.197 1.00 0.00 C ATOM 301 CZ TYR A 21 1.100 8.801 -1.523 1.00 0.00 C ATOM 302 OH TYR A 21 1.345 10.074 -1.920 1.00 0.00 O ATOM 0 H TYR A 21 -2.062 4.084 0.774 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.997 4.497 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.153 4.758 0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.232 4.133 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.698 7.012 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.023 5.594 -2.266 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.227 9.354 0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.370 7.929 -3.041 1.00 0.00 H new ATOM 0 HH TYR A 21 1.962 10.066 -2.682 1.00 0.00 H new ATOM 312 N TYR A 22 -0.019 2.240 -2.306 1.00 0.00 N ATOM 313 CA TYR A 22 0.364 0.913 -2.777 1.00 0.00 C ATOM 314 C TYR A 22 1.880 0.822 -2.935 1.00 0.00 C ATOM 315 O TYR A 22 2.472 1.626 -3.660 1.00 0.00 O ATOM 316 CB TYR A 22 -0.261 0.687 -4.173 1.00 0.00 C ATOM 317 CG TYR A 22 -0.277 -0.732 -4.691 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.918 -1.359 -5.079 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.503 -1.393 -4.867 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.914 -2.658 -5.606 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.521 -2.694 -5.409 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.315 -3.330 -5.790 1.00 0.00 C ATOM 323 OH TYR A 22 -0.348 -4.565 -6.363 1.00 0.00 O ATOM 0 H TYR A 22 0.151 2.947 -3.021 1.00 0.00 H new ATOM 0 HA TYR A 22 0.020 0.171 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.288 1.051 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.279 1.305 -4.891 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.855 -0.832 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.427 -0.908 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.843 -3.141 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.462 -3.209 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.275 -4.879 -6.410 1.00 0.00 H new ATOM 333 N TYR A 23 2.507 -0.143 -2.274 1.00 0.00 N ATOM 334 CA TYR A 23 3.950 -0.368 -2.368 1.00 0.00 C ATOM 335 C TYR A 23 4.211 -1.240 -3.596 1.00 0.00 C ATOM 336 O TYR A 23 3.542 -2.264 -3.773 1.00 0.00 O ATOM 337 CB TYR A 23 4.450 -1.072 -1.111 1.00 0.00 C ATOM 338 CG TYR A 23 5.856 -1.618 -1.199 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.966 -0.757 -1.161 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.044 -3.007 -1.298 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.262 -1.294 -1.230 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.335 -3.549 -1.284 1.00 0.00 C ATOM 343 CZ TYR A 23 8.452 -2.689 -1.302 1.00 0.00 C ATOM 344 OH TYR A 23 9.703 -3.206 -1.390 1.00 0.00 O ATOM 0 H TYR A 23 2.029 -0.797 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 23 4.477 0.582 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.400 -0.372 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.772 -1.893 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.823 0.310 -1.079 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.188 -3.660 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.117 -0.635 -1.228 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.474 -4.620 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 23 10.265 -2.824 -0.684 1.00 0.00 H new ATOM 354 N ASN A 24 5.149 -0.841 -4.458 1.00 0.00 N ATOM 355 CA ASN A 24 5.500 -1.573 -5.672 1.00 0.00 C ATOM 356 C ASN A 24 6.966 -1.960 -5.568 1.00 0.00 C ATOM 357 O ASN A 24 7.850 -1.158 -5.889 1.00 0.00 O ATOM 358 CB ASN A 24 5.232 -0.774 -6.959 1.00 0.00 C ATOM 359 CG ASN A 24 3.751 -0.518 -7.213 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.047 -1.333 -7.800 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.226 0.613 -6.766 1.00 0.00 N ATOM 0 H ASN A 24 5.693 0.012 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 24 4.866 -2.456 -5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.754 0.181 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.651 -1.315 -7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.235 0.807 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.813 1.290 -6.278 1.00 0.00 H new ATOM 368 N GLN A 25 7.238 -3.175 -5.085 1.00 0.00 N ATOM 369 CA GLN A 25 8.604 -3.668 -4.932 1.00 0.00 C ATOM 370 C GLN A 25 9.298 -3.744 -6.286 1.00 0.00 C ATOM 371 O GLN A 25 10.488 -3.444 -6.360 1.00 0.00 O ATOM 372 CB GLN A 25 8.699 -5.008 -4.175 1.00 0.00 C ATOM 373 CG GLN A 25 8.212 -6.283 -4.878 1.00 0.00 C ATOM 374 CD GLN A 25 6.707 -6.395 -5.122 1.00 0.00 C ATOM 375 OE1 GLN A 25 5.860 -5.677 -4.398 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 6.271 -7.163 -5.972 1.00 0.00 N flip ATOM 0 H GLN A 25 6.521 -3.839 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 25 9.125 -2.944 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.743 -5.160 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.136 -4.905 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.720 -6.358 -5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.526 -7.141 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.914 -7.720 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.265 -7.245 -6.117 1.00 0.00 H new ATOM 385 N TYR A 26 8.559 -4.060 -7.356 1.00 0.00 N ATOM 386 CA TYR A 26 9.109 -4.161 -8.702 1.00 0.00 C ATOM 387 C TYR A 26 9.713 -2.839 -9.191 1.00 0.00 C ATOM 388 O TYR A 26 10.535 -2.851 -10.108 1.00 0.00 O ATOM 389 CB TYR A 26 8.024 -4.646 -9.669 1.00 0.00 C ATOM 390 CG TYR A 26 7.521 -6.063 -9.442 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.415 -7.150 -9.467 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.148 -6.304 -9.258 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.938 -8.468 -9.364 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.657 -7.619 -9.164 1.00 0.00 C ATOM 395 CZ TYR A 26 6.553 -8.710 -9.223 1.00 0.00 C ATOM 396 OH TYR A 26 6.091 -9.988 -9.159 1.00 0.00 O ATOM 0 H TYR A 26 7.559 -4.253 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 26 9.923 -4.885 -8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.176 -3.965 -9.605 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.412 -4.577 -10.685 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.475 -6.970 -9.566 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.464 -5.471 -9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.630 -9.296 -9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.598 -7.794 -9.047 1.00 0.00 H new ATOM 0 HH TYR A 26 5.116 -9.979 -9.061 1.00 0.00 H new ATOM 406 N SER A 27 9.327 -1.712 -8.590 1.00 0.00 N ATOM 407 CA SER A 27 9.814 -0.377 -8.922 1.00 0.00 C ATOM 408 C SER A 27 10.510 0.258 -7.703 1.00 0.00 C ATOM 409 O SER A 27 10.915 1.420 -7.744 1.00 0.00 O ATOM 410 CB SER A 27 8.614 0.420 -9.451 1.00 0.00 C ATOM 411 OG SER A 27 8.988 1.629 -10.070 1.00 0.00 O ATOM 0 H SER A 27 8.643 -1.706 -7.833 1.00 0.00 H new ATOM 0 HA SER A 27 10.579 -0.396 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.064 -0.193 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.935 0.635 -8.626 1.00 0.00 H new ATOM 0 HG SER A 27 9.735 2.030 -9.579 1.00 0.00 H new ATOM 417 N ASN A 28 10.663 -0.505 -6.611 1.00 0.00 N ATOM 418 CA ASN A 28 11.254 -0.139 -5.336 1.00 0.00 C ATOM 419 C ASN A 28 10.811 1.256 -4.900 1.00 0.00 C ATOM 420 O ASN A 28 11.621 2.131 -4.576 1.00 0.00 O ATOM 421 CB ASN A 28 12.768 -0.348 -5.358 1.00 0.00 C ATOM 422 CG ASN A 28 13.255 -0.655 -3.954 1.00 0.00 C ATOM 423 OD1 ASN A 28 12.766 -1.601 -3.342 1.00 0.00 O ATOM 424 ND2 ASN A 28 14.183 0.105 -3.410 1.00 0.00 N ATOM 0 H ASN A 28 10.346 -1.475 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 28 10.880 -0.808 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.023 -1.167 -6.031 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.264 0.544 -5.740 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.509 -0.087 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 28 14.576 0.886 -3.936 1.00 0.00 H new ATOM 431 N THR A 29 9.495 1.467 -4.942 1.00 0.00 N ATOM 432 CA THR A 29 8.863 2.717 -4.576 1.00 0.00 C ATOM 433 C THR A 29 7.416 2.443 -4.147 1.00 0.00 C ATOM 434 O THR A 29 7.044 1.304 -3.842 1.00 0.00 O ATOM 435 CB THR A 29 9.040 3.736 -5.723 1.00 0.00 C ATOM 436 OG1 THR A 29 8.770 5.040 -5.255 1.00 0.00 O ATOM 437 CG2 THR A 29 8.173 3.470 -6.957 1.00 0.00 C ATOM 0 H THR A 29 8.831 0.752 -5.239 1.00 0.00 H new ATOM 0 HA THR A 29 9.337 3.179 -3.710 1.00 0.00 H new ATOM 0 HB THR A 29 10.077 3.629 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.886 5.681 -5.987 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.365 4.236 -7.709 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.415 2.490 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.121 3.495 -6.674 1.00 0.00 H new ATOM 445 N CYS A 30 6.611 3.497 -4.041 1.00 0.00 N ATOM 446 CA CYS A 30 5.217 3.453 -3.658 1.00 0.00 C ATOM 447 C CYS A 30 4.460 4.343 -4.625 1.00 0.00 C ATOM 448 O CYS A 30 5.058 5.223 -5.245 1.00 0.00 O ATOM 449 CB CYS A 30 5.064 4.005 -2.240 1.00 0.00 C ATOM 450 SG CYS A 30 3.748 3.254 -1.272 1.00 0.00 S ATOM 0 H CYS A 30 6.935 4.445 -4.230 1.00 0.00 H new ATOM 0 HA CYS A 30 4.836 2.432 -3.684 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.007 3.871 -1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.883 5.078 -2.301 1.00 0.00 H new ATOM 455 N HIS A 31 3.150 4.162 -4.726 1.00 0.00 N ATOM 456 CA HIS A 31 2.320 4.956 -5.601 1.00 0.00 C ATOM 457 C HIS A 31 0.926 4.993 -5.002 1.00 0.00 C ATOM 458 O HIS A 31 0.449 3.981 -4.480 1.00 0.00 O ATOM 459 CB HIS A 31 2.314 4.321 -6.996 1.00 0.00 C ATOM 460 CG HIS A 31 1.948 5.285 -8.088 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.085 5.061 -9.135 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.497 6.523 -8.256 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.117 6.134 -9.937 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.946 7.063 -9.426 1.00 0.00 N ATOM 0 H HIS A 31 2.638 3.455 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 31 2.697 5.974 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.301 3.907 -7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.610 3.489 -7.005 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.220 6.997 -7.609 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.560 6.238 -10.857 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.137 7.986 -9.816 1.00 0.00 H new ATOM 472 N SER A 32 0.268 6.144 -5.026 1.00 0.00 N ATOM 473 CA SER A 32 -1.071 6.230 -4.479 1.00 0.00 C ATOM 474 C SER A 32 -2.036 5.423 -5.362 1.00 0.00 C ATOM 475 O SER A 32 -1.912 5.397 -6.591 1.00 0.00 O ATOM 476 CB SER A 32 -1.465 7.694 -4.281 1.00 0.00 C ATOM 477 OG SER A 32 -1.056 8.522 -5.359 1.00 0.00 O ATOM 0 H SER A 32 0.634 7.014 -5.412 1.00 0.00 H new ATOM 0 HA SER A 32 -1.117 5.780 -3.487 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.547 7.762 -4.166 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.022 8.063 -3.356 1.00 0.00 H new ATOM 0 HG SER A 32 -1.333 9.446 -5.185 1.00 0.00 H new ATOM 483 N PHE A 33 -2.982 4.724 -4.739 1.00 0.00 N ATOM 484 CA PHE A 33 -4.022 3.900 -5.343 1.00 0.00 C ATOM 485 C PHE A 33 -5.346 4.198 -4.622 1.00 0.00 C ATOM 486 O PHE A 33 -5.411 5.093 -3.771 1.00 0.00 O ATOM 487 CB PHE A 33 -3.629 2.410 -5.366 1.00 0.00 C ATOM 488 CG PHE A 33 -3.902 1.623 -4.098 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.182 1.901 -2.926 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.897 0.628 -4.073 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.464 1.212 -1.737 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.189 -0.050 -2.878 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.476 0.253 -1.705 1.00 0.00 C ATOM 0 H PHE A 33 -3.045 4.720 -3.721 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.151 4.152 -6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.159 1.929 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.564 2.340 -5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.405 2.651 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.438 0.385 -4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.896 1.425 -0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.962 -0.804 -2.860 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.711 -0.255 -0.782 1.00 0.00 H new ATOM 503 N THR A 34 -6.428 3.525 -4.984 1.00 0.00 N ATOM 504 CA THR A 34 -7.763 3.685 -4.393 1.00 0.00 C ATOM 505 C THR A 34 -8.061 2.515 -3.440 1.00 0.00 C ATOM 506 O THR A 34 -7.888 1.369 -3.853 1.00 0.00 O ATOM 507 CB THR A 34 -8.783 3.766 -5.545 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.361 3.002 -6.670 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.952 5.203 -6.039 1.00 0.00 C ATOM 0 H THR A 34 -6.407 2.824 -5.725 1.00 0.00 H new ATOM 0 HA THR A 34 -7.822 4.598 -3.800 1.00 0.00 H new ATOM 0 HB THR A 34 -9.719 3.379 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.030 3.072 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.678 5.225 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.304 5.830 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.994 5.579 -6.398 1.00 0.00 H new ATOM 517 N TYR A 35 -8.495 2.775 -2.192 1.00 0.00 N ATOM 518 CA TYR A 35 -8.805 1.746 -1.187 1.00 0.00 C ATOM 519 C TYR A 35 -10.240 1.852 -0.642 1.00 0.00 C ATOM 520 O TYR A 35 -10.980 2.769 -1.005 1.00 0.00 O ATOM 521 CB TYR A 35 -7.811 1.827 -0.022 1.00 0.00 C ATOM 522 CG TYR A 35 -7.680 0.609 0.863 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.161 -0.587 0.333 1.00 0.00 C ATOM 524 CD2 TYR A 35 -7.944 0.711 2.239 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.792 -1.632 1.194 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.625 -0.352 3.099 1.00 0.00 C ATOM 527 CZ TYR A 35 -6.993 -1.505 2.584 1.00 0.00 C ATOM 528 OH TYR A 35 -6.487 -2.458 3.410 1.00 0.00 O ATOM 0 H TYR A 35 -8.642 3.725 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.719 0.784 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.827 2.053 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.095 2.671 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.047 -0.700 -0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.393 1.609 2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.354 -2.534 0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.862 -0.288 4.151 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.678 -2.840 3.011 1.00 0.00 H new ATOM 538 N SER A 36 -10.633 0.941 0.251 1.00 0.00 N ATOM 539 CA SER A 36 -11.931 0.888 0.914 1.00 0.00 C ATOM 540 C SER A 36 -11.695 0.526 2.388 1.00 0.00 C ATOM 541 O SER A 36 -10.685 -0.099 2.706 1.00 0.00 O ATOM 542 CB SER A 36 -12.851 -0.100 0.199 1.00 0.00 C ATOM 543 OG SER A 36 -12.259 -1.370 0.060 1.00 0.00 O ATOM 0 H SER A 36 -10.019 0.181 0.544 1.00 0.00 H new ATOM 0 HA SER A 36 -12.435 1.854 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.783 -0.194 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.106 0.290 -0.786 1.00 0.00 H new ATOM 0 HG SER A 36 -12.880 -1.972 -0.401 1.00 0.00 H new ATOM 549 N GLY A 37 -12.615 0.871 3.292 1.00 0.00 N ATOM 550 CA GLY A 37 -12.514 0.626 4.727 1.00 0.00 C ATOM 551 C GLY A 37 -12.095 -0.781 5.136 1.00 0.00 C ATOM 552 O GLY A 37 -11.074 -0.914 5.819 1.00 0.00 O ATOM 0 H GLY A 37 -13.480 1.345 3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.799 1.333 5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.481 0.842 5.182 1.00 0.00 H new ATOM 556 N CYS A 38 -12.803 -1.832 4.707 1.00 0.00 N ATOM 557 CA CYS A 38 -12.484 -3.214 5.076 1.00 0.00 C ATOM 558 C CYS A 38 -12.309 -4.171 3.892 1.00 0.00 C ATOM 559 O CYS A 38 -12.701 -3.884 2.760 1.00 0.00 O ATOM 560 CB CYS A 38 -13.533 -3.726 6.068 1.00 0.00 C ATOM 561 SG CYS A 38 -15.284 -3.407 5.725 1.00 0.00 S ATOM 0 H CYS A 38 -13.614 -1.747 4.094 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.501 -3.194 5.546 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.405 -4.805 6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.304 -3.296 7.043 1.00 0.00 H new ATOM 566 N GLY A 39 -11.735 -5.339 4.199 1.00 0.00 N ATOM 567 CA GLY A 39 -11.443 -6.441 3.297 1.00 0.00 C ATOM 568 C GLY A 39 -10.020 -6.348 2.765 1.00 0.00 C ATOM 569 O GLY A 39 -9.288 -7.345 2.811 1.00 0.00 O ATOM 0 H GLY A 39 -11.444 -5.547 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.579 -7.388 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.147 -6.431 2.465 1.00 0.00 H new ATOM 573 N GLY A 40 -9.616 -5.163 2.300 1.00 0.00 N ATOM 574 CA GLY A 40 -8.287 -4.892 1.784 1.00 0.00 C ATOM 575 C GLY A 40 -7.167 -5.402 2.701 1.00 0.00 C ATOM 576 O GLY A 40 -7.295 -5.468 3.929 1.00 0.00 O ATOM 0 H GLY A 40 -10.228 -4.347 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.184 -5.355 0.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.171 -3.817 1.643 1.00 0.00 H new ATOM 580 N ASN A 41 -6.046 -5.772 2.077 1.00 0.00 N ATOM 581 CA ASN A 41 -4.879 -6.302 2.769 1.00 0.00 C ATOM 582 C ASN A 41 -3.895 -5.218 3.182 1.00 0.00 C ATOM 583 O ASN A 41 -3.913 -4.104 2.657 1.00 0.00 O ATOM 584 CB ASN A 41 -4.208 -7.394 1.936 1.00 0.00 C ATOM 585 CG ASN A 41 -5.085 -8.639 1.909 1.00 0.00 C ATOM 586 OD1 ASN A 41 -5.356 -9.228 2.954 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.572 -9.039 0.754 1.00 0.00 N ATOM 0 H ASN A 41 -5.926 -5.710 1.066 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.232 -6.751 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.038 -7.036 0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.232 -7.636 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.187 -9.852 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.335 -8.536 -0.101 1.00 0.00 H new ATOM 594 N ALA A 42 -2.933 -5.622 4.015 1.00 0.00 N ATOM 595 CA ALA A 42 -1.911 -4.769 4.604 1.00 0.00 C ATOM 596 C ALA A 42 -1.025 -3.947 3.658 1.00 0.00 C ATOM 597 O ALA A 42 -0.319 -3.078 4.167 1.00 0.00 O ATOM 598 CB ALA A 42 -1.069 -5.596 5.573 1.00 0.00 C ATOM 0 H ALA A 42 -2.846 -6.595 4.307 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.474 -3.988 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.301 -4.964 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.708 -5.998 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.596 -6.417 5.034 1.00 0.00 H new ATOM 604 N ASN A 43 -1.037 -4.164 2.332 1.00 0.00 N ATOM 605 CA ASN A 43 -0.215 -3.339 1.427 1.00 0.00 C ATOM 606 C ASN A 43 -0.667 -1.863 1.492 1.00 0.00 C ATOM 607 O ASN A 43 0.078 -0.952 1.136 1.00 0.00 O ATOM 608 CB ASN A 43 -0.292 -3.882 -0.014 1.00 0.00 C ATOM 609 CG ASN A 43 0.482 -3.064 -1.059 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.404 -2.325 -0.763 1.00 0.00 O ATOM 611 ND2 ASN A 43 0.156 -3.152 -2.332 1.00 0.00 N ATOM 0 H ASN A 43 -1.592 -4.885 1.870 1.00 0.00 H new ATOM 0 HA ASN A 43 0.825 -3.390 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.087 -4.904 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.339 -3.928 -0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.670 -2.612 -3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.610 -3.760 -2.621 1.00 0.00 H new ATOM 618 N ARG A 44 -1.857 -1.582 2.028 1.00 0.00 N ATOM 619 CA ARG A 44 -2.340 -0.215 2.105 1.00 0.00 C ATOM 620 C ARG A 44 -1.560 0.585 3.146 1.00 0.00 C ATOM 621 O ARG A 44 -1.376 0.147 4.281 1.00 0.00 O ATOM 622 CB ARG A 44 -3.834 -0.257 2.453 1.00 0.00 C ATOM 623 CG ARG A 44 -4.433 1.083 2.930 1.00 0.00 C ATOM 624 CD ARG A 44 -4.528 1.256 4.457 1.00 0.00 C ATOM 625 NE ARG A 44 -5.334 0.199 5.095 1.00 0.00 N ATOM 626 CZ ARG A 44 -5.979 0.303 6.266 1.00 0.00 C ATOM 627 NH1 ARG A 44 -5.870 1.394 7.012 1.00 0.00 N ATOM 628 NH2 ARG A 44 -6.768 -0.670 6.711 1.00 0.00 N ATOM 0 H ARG A 44 -2.494 -2.281 2.410 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.194 0.284 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.386 -0.592 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.989 -1.004 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.830 1.896 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.432 1.187 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.525 1.251 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.965 2.228 4.683 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.408 -0.691 4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.289 2.171 6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.368 1.456 7.900 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.893 -1.518 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.248 -0.568 7.605 1.00 0.00 H new ATOM 642 N PHE A 45 -1.198 1.803 2.747 1.00 0.00 N ATOM 643 CA PHE A 45 -0.487 2.815 3.516 1.00 0.00 C ATOM 644 C PHE A 45 -1.239 4.134 3.419 1.00 0.00 C ATOM 645 O PHE A 45 -2.180 4.266 2.643 1.00 0.00 O ATOM 646 CB PHE A 45 0.973 2.963 3.063 1.00 0.00 C ATOM 647 CG PHE A 45 1.865 2.212 4.009 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.275 2.791 5.226 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.157 0.874 3.733 1.00 0.00 C ATOM 650 CE1 PHE A 45 2.963 2.013 6.172 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.876 0.111 4.657 1.00 0.00 C ATOM 652 CZ PHE A 45 3.254 0.669 5.889 1.00 0.00 C ATOM 0 H PHE A 45 -1.412 2.130 1.805 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.450 2.499 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.092 2.578 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.253 4.016 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.061 3.830 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.827 0.429 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.267 2.447 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.141 -0.909 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.769 0.063 6.620 1.00 0.00 H new ATOM 662 N ARG A 46 -0.805 5.126 4.194 1.00 0.00 N ATOM 663 CA ARG A 46 -1.399 6.460 4.263 1.00 0.00 C ATOM 664 C ARG A 46 -0.493 7.540 3.680 1.00 0.00 C ATOM 665 O ARG A 46 -0.927 8.676 3.522 1.00 0.00 O ATOM 666 CB ARG A 46 -1.840 6.759 5.711 1.00 0.00 C ATOM 667 CG ARG A 46 -0.926 6.231 6.838 1.00 0.00 C ATOM 668 CD ARG A 46 0.548 6.644 6.774 1.00 0.00 C ATOM 669 NE ARG A 46 0.672 8.105 6.766 1.00 0.00 N ATOM 670 CZ ARG A 46 0.804 8.886 7.841 1.00 0.00 C ATOM 671 NH1 ARG A 46 0.959 8.383 9.058 1.00 0.00 N ATOM 672 NH2 ARG A 46 0.758 10.194 7.673 1.00 0.00 N ATOM 0 H ARG A 46 -0.002 5.019 4.813 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.287 6.473 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.929 7.840 5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.836 6.341 5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.333 6.566 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.975 5.142 6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.085 6.232 7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.009 6.229 5.878 1.00 0.00 H new ATOM 0 HE ARG A 46 0.656 8.567 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.980 7.372 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.057 9.007 9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.624 10.584 6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.856 10.815 8.476 1.00 0.00 H new ATOM 686 N THR A 47 0.773 7.230 3.416 1.00 0.00 N ATOM 687 CA THR A 47 1.726 8.156 2.829 1.00 0.00 C ATOM 688 C THR A 47 2.884 7.343 2.273 1.00 0.00 C ATOM 689 O THR A 47 3.210 6.280 2.820 1.00 0.00 O ATOM 690 CB THR A 47 2.179 9.232 3.839 1.00 0.00 C ATOM 691 OG1 THR A 47 2.852 10.289 3.193 1.00 0.00 O ATOM 692 CG2 THR A 47 3.131 8.677 4.899 1.00 0.00 C ATOM 0 H THR A 47 1.169 6.310 3.609 1.00 0.00 H new ATOM 0 HA THR A 47 1.258 8.713 2.017 1.00 0.00 H new ATOM 0 HB THR A 47 1.264 9.584 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.126 10.956 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.419 9.475 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.633 7.883 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.021 8.276 4.414 1.00 0.00 H new ATOM 700 N ILE A 48 3.494 7.833 1.194 1.00 0.00 N ATOM 701 CA ILE A 48 4.642 7.177 0.588 1.00 0.00 C ATOM 702 C ILE A 48 5.835 7.309 1.543 1.00 0.00 C ATOM 703 O ILE A 48 6.728 6.472 1.518 1.00 0.00 O ATOM 704 CB ILE A 48 4.963 7.746 -0.815 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.309 7.188 -1.330 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.955 9.284 -0.844 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.539 7.389 -2.827 1.00 0.00 C ATOM 0 H ILE A 48 3.206 8.690 0.722 1.00 0.00 H new ATOM 0 HA ILE A 48 4.414 6.122 0.433 1.00 0.00 H new ATOM 0 HB ILE A 48 4.168 7.419 -1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.121 7.666 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.357 6.122 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.186 9.630 -1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.970 9.648 -0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.703 9.665 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.505 6.969 -3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.750 6.887 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.526 8.454 -3.057 1.00 0.00 H new ATOM 719 N ASP A 49 5.834 8.315 2.418 1.00 0.00 N ATOM 720 CA ASP A 49 6.917 8.575 3.361 1.00 0.00 C ATOM 721 C ASP A 49 7.092 7.400 4.329 1.00 0.00 C ATOM 722 O ASP A 49 8.206 7.090 4.744 1.00 0.00 O ATOM 723 CB ASP A 49 6.694 9.900 4.109 1.00 0.00 C ATOM 724 CG ASP A 49 6.478 11.128 3.215 1.00 0.00 C ATOM 725 OD1 ASP A 49 6.737 11.109 1.989 1.00 0.00 O ATOM 726 OD2 ASP A 49 5.994 12.153 3.744 1.00 0.00 O ATOM 0 H ASP A 49 5.066 8.982 2.491 1.00 0.00 H new ATOM 0 HA ASP A 49 7.843 8.675 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.828 9.789 4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.555 10.085 4.751 1.00 0.00 H new ATOM 731 N GLU A 50 5.990 6.733 4.688 1.00 0.00 N ATOM 732 CA GLU A 50 5.985 5.595 5.585 1.00 0.00 C ATOM 733 C GLU A 50 6.272 4.356 4.762 1.00 0.00 C ATOM 734 O GLU A 50 7.124 3.548 5.119 1.00 0.00 O ATOM 735 CB GLU A 50 4.610 5.446 6.247 1.00 0.00 C ATOM 736 CG GLU A 50 4.540 6.000 7.665 1.00 0.00 C ATOM 737 CD GLU A 50 4.922 7.474 7.812 1.00 0.00 C ATOM 738 OE1 GLU A 50 6.129 7.801 7.776 1.00 0.00 O ATOM 739 OE2 GLU A 50 4.018 8.272 8.141 1.00 0.00 O ATOM 0 H GLU A 50 5.061 6.983 4.350 1.00 0.00 H new ATOM 0 HA GLU A 50 6.735 5.733 6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.866 5.953 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.341 4.390 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.525 5.866 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.196 5.407 8.302 1.00 0.00 H new ATOM 746 N CYS A 51 5.536 4.228 3.660 1.00 0.00 N ATOM 747 CA CYS A 51 5.642 3.112 2.741 1.00 0.00 C ATOM 748 C CYS A 51 7.096 2.878 2.322 1.00 0.00 C ATOM 749 O CYS A 51 7.609 1.760 2.377 1.00 0.00 O ATOM 750 CB CYS A 51 4.752 3.418 1.535 1.00 0.00 C ATOM 751 SG CYS A 51 4.807 2.280 0.143 1.00 0.00 S ATOM 0 H CYS A 51 4.836 4.916 3.381 1.00 0.00 H new ATOM 0 HA CYS A 51 5.310 2.192 3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.721 3.471 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.015 4.410 1.168 1.00 0.00 H new ATOM 756 N ASN A 52 7.776 3.946 1.905 1.00 0.00 N ATOM 757 CA ASN A 52 9.148 3.876 1.468 1.00 0.00 C ATOM 758 C ASN A 52 10.047 3.601 2.664 1.00 0.00 C ATOM 759 O ASN A 52 10.697 2.560 2.682 1.00 0.00 O ATOM 760 CB ASN A 52 9.551 5.067 0.574 1.00 0.00 C ATOM 761 CG ASN A 52 10.223 6.213 1.304 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.397 6.148 1.644 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.478 7.261 1.573 1.00 0.00 N ATOM 0 H ASN A 52 7.378 4.884 1.865 1.00 0.00 H new ATOM 0 HA ASN A 52 9.280 3.030 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.223 4.707 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.659 5.446 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.875 8.052 2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.503 7.283 1.275 1.00 0.00 H new ATOM 770 N ARG A 53 9.983 4.403 3.730 1.00 0.00 N ATOM 771 CA ARG A 53 10.862 4.156 4.874 1.00 0.00 C ATOM 772 C ARG A 53 10.710 2.775 5.521 1.00 0.00 C ATOM 773 O ARG A 53 11.639 2.306 6.180 1.00 0.00 O ATOM 774 CB ARG A 53 10.765 5.302 5.895 1.00 0.00 C ATOM 775 CG ARG A 53 9.680 5.147 6.970 1.00 0.00 C ATOM 776 CD ARG A 53 9.596 6.440 7.787 1.00 0.00 C ATOM 777 NE ARG A 53 8.413 6.493 8.660 1.00 0.00 N ATOM 778 CZ ARG A 53 8.346 6.224 9.967 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.373 5.673 10.601 1.00 0.00 N ATOM 780 NH2 ARG A 53 7.233 6.500 10.636 1.00 0.00 N ATOM 0 H ARG A 53 9.355 5.201 3.825 1.00 0.00 H new ATOM 0 HA ARG A 53 11.874 4.139 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.730 5.404 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.585 6.231 5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.718 4.933 6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.914 4.305 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.495 6.537 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.578 7.292 7.107 1.00 0.00 H new ATOM 0 HE ARG A 53 7.538 6.768 8.213 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.227 5.449 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.308 5.473 11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.437 6.915 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.174 6.297 11.634 1.00 0.00 H new ATOM 794 N THR A 54 9.562 2.117 5.362 1.00 0.00 N ATOM 795 CA THR A 54 9.286 0.816 5.944 1.00 0.00 C ATOM 796 C THR A 54 9.493 -0.379 4.995 1.00 0.00 C ATOM 797 O THR A 54 9.858 -1.457 5.484 1.00 0.00 O ATOM 798 CB THR A 54 7.884 0.907 6.583 1.00 0.00 C ATOM 799 OG1 THR A 54 7.809 0.226 7.821 1.00 0.00 O ATOM 800 CG2 THR A 54 6.730 0.451 5.693 1.00 0.00 C ATOM 0 H THR A 54 8.786 2.486 4.813 1.00 0.00 H new ATOM 0 HA THR A 54 10.027 0.589 6.710 1.00 0.00 H new ATOM 0 HB THR A 54 7.757 1.978 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.904 0.313 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.790 0.554 6.235 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.700 1.065 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.875 -0.593 5.415 1.00 0.00 H new ATOM 808 N CYS A 55 9.330 -0.216 3.671 1.00 0.00 N ATOM 809 CA CYS A 55 9.443 -1.296 2.695 1.00 0.00 C ATOM 810 C CYS A 55 10.365 -1.039 1.507 1.00 0.00 C ATOM 811 O CYS A 55 10.689 -1.996 0.814 1.00 0.00 O ATOM 812 CB CYS A 55 8.016 -1.676 2.262 1.00 0.00 C ATOM 813 SG CYS A 55 7.121 -2.313 3.700 1.00 0.00 S ATOM 0 H CYS A 55 9.113 0.687 3.249 1.00 0.00 H new ATOM 0 HA CYS A 55 9.947 -2.128 3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.502 -0.807 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.048 -2.428 1.474 1.00 0.00 H new ATOM 818 N VAL A 56 10.777 0.190 1.226 1.00 0.00 N ATOM 819 CA VAL A 56 11.684 0.488 0.119 1.00 0.00 C ATOM 820 C VAL A 56 13.097 0.317 0.674 1.00 0.00 C ATOM 821 O VAL A 56 13.618 1.185 1.380 1.00 0.00 O ATOM 822 CB VAL A 56 11.398 1.880 -0.472 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.466 2.439 -1.402 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.068 1.859 -1.246 1.00 0.00 C ATOM 0 H VAL A 56 10.493 1.012 1.759 1.00 0.00 H new ATOM 0 HA VAL A 56 11.548 -0.187 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 56 11.370 2.537 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.160 3.422 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.409 2.526 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.595 1.769 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.873 2.848 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.129 1.131 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.258 1.583 -0.571 1.00 0.00 H new ATOM 834 N GLY A 57 13.680 -0.855 0.424 1.00 0.00 N ATOM 835 CA GLY A 57 15.021 -1.185 0.856 1.00 0.00 C ATOM 836 C GLY A 57 15.985 -0.494 -0.082 1.00 0.00 C ATOM 837 O GLY A 57 16.780 0.335 0.397 1.00 0.00 O ATOM 0 H GLY A 57 13.221 -1.606 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.184 -0.858 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.175 -2.264 0.837 1.00 0.00 H new