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+ 172:sc=-0.00838 (180deg=-0.0673) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -125:sc= -0.377 USER MOD Single : A 20 SER OG : rot 65:sc= 0.633 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 48:sc= 1.27 USER MOD Single : A 24 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.45) USER MOD Single : A 25 GLN : amide:sc= -2.64! C(o=-2.6!,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -33:sc= 0.254 USER MOD Single : A 28 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.58) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00451 USER MOD Single : A 31 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0212 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 36:sc= 1.04 USER MOD Single : A 36 SER OG : rot 147:sc= 0.972 USER MOD Single : A 41 ASN : amide:sc= 1.12 K(o=1.1,f=-0.1) USER MOD Single : A 43 ASN : amide:sc= 0.18 K(o=0.18,f=-1.9) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.379 X(o=-0.38,f=-0.56) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.485 -5.232 3.357 1.00 0.00 N ATOM 2 CA ARG A 1 11.102 -5.019 2.904 1.00 0.00 C ATOM 3 C ARG A 1 10.203 -6.113 3.470 1.00 0.00 C ATOM 4 O ARG A 1 10.395 -7.291 3.160 1.00 0.00 O ATOM 5 CB ARG A 1 10.995 -4.896 1.379 1.00 0.00 C ATOM 6 CG ARG A 1 11.541 -6.065 0.543 1.00 0.00 C ATOM 7 CD ARG A 1 12.493 -5.559 -0.544 1.00 0.00 C ATOM 8 NE ARG A 1 13.731 -4.980 0.009 1.00 0.00 N ATOM 9 CZ ARG A 1 14.875 -4.790 -0.661 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.929 -4.988 -1.975 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.957 -4.393 0.005 1.00 0.00 N ATOM 0 H1 ARG A 1 13.118 -4.569 2.865 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.543 -5.069 4.382 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.773 -6.208 3.145 1.00 0.00 H new ATOM 0 HA ARG A 1 10.757 -4.060 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.944 -4.759 1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.518 -3.989 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.063 -6.769 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.714 -6.607 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.748 -6.383 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.983 -4.808 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 1 13.715 -4.699 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 1 14.095 -5.287 -2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 1 15.804 -4.841 -2.477 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.908 -4.238 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.835 -4.244 -0.492 1.00 0.00 H new ATOM 25 N PRO A 2 9.254 -5.757 4.344 1.00 0.00 N ATOM 26 CA PRO A 2 8.354 -6.708 4.957 1.00 0.00 C ATOM 27 C PRO A 2 7.352 -7.215 3.925 1.00 0.00 C ATOM 28 O PRO A 2 6.758 -6.435 3.182 1.00 0.00 O ATOM 29 CB PRO A 2 7.665 -5.930 6.073 1.00 0.00 C ATOM 30 CG PRO A 2 7.629 -4.503 5.545 1.00 0.00 C ATOM 31 CD PRO A 2 8.942 -4.409 4.776 1.00 0.00 C ATOM 0 HA PRO A 2 8.866 -7.588 5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.662 -6.311 6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.219 -5.997 7.010 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.767 -4.329 4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.577 -3.772 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.846 -3.739 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.735 -4.009 5.407 1.00 0.00 H new ATOM 39 N ARG A 3 7.096 -8.521 3.933 1.00 0.00 N ATOM 40 CA ARG A 3 6.161 -9.152 3.001 1.00 0.00 C ATOM 41 C ARG A 3 4.743 -8.588 3.089 1.00 0.00 C ATOM 42 O ARG A 3 3.988 -8.718 2.135 1.00 0.00 O ATOM 43 CB ARG A 3 6.181 -10.685 3.152 1.00 0.00 C ATOM 44 CG ARG A 3 5.336 -11.267 4.298 1.00 0.00 C ATOM 45 CD ARG A 3 5.751 -10.792 5.695 1.00 0.00 C ATOM 46 NE ARG A 3 4.814 -11.281 6.713 1.00 0.00 N ATOM 47 CZ ARG A 3 4.402 -10.606 7.791 1.00 0.00 C ATOM 48 NH1 ARG A 3 4.951 -9.451 8.140 1.00 0.00 N ATOM 49 NH2 ARG A 3 3.420 -11.075 8.544 1.00 0.00 N ATOM 0 H ARG A 3 7.531 -9.173 4.586 1.00 0.00 H new ATOM 0 HA ARG A 3 6.510 -8.905 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.838 -11.126 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.214 -11.002 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.291 -11.003 4.133 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.399 -12.355 4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.757 -11.146 5.920 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.784 -9.703 5.718 1.00 0.00 H new ATOM 0 HE ARG A 3 4.443 -12.223 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.707 -9.056 7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.617 -8.957 8.968 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.971 -11.959 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.113 -10.553 9.365 1.00 0.00 H new ATOM 63 N PHE A 4 4.346 -7.961 4.203 1.00 0.00 N ATOM 64 CA PHE A 4 2.998 -7.409 4.292 1.00 0.00 C ATOM 65 C PHE A 4 2.803 -6.296 3.249 1.00 0.00 C ATOM 66 O PHE A 4 1.675 -5.996 2.858 1.00 0.00 O ATOM 67 CB PHE A 4 2.690 -6.943 5.723 1.00 0.00 C ATOM 68 CG PHE A 4 3.379 -5.673 6.188 1.00 0.00 C ATOM 69 CD1 PHE A 4 3.055 -4.422 5.621 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.338 -5.738 7.213 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.763 -3.270 6.009 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.022 -4.580 7.618 1.00 0.00 C ATOM 73 CZ PHE A 4 4.749 -3.347 7.003 1.00 0.00 C ATOM 0 H PHE A 4 4.925 -7.827 5.032 1.00 0.00 H new ATOM 0 HA PHE A 4 2.277 -8.193 4.060 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.613 -6.797 5.809 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.959 -7.747 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.264 -4.349 4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.550 -6.683 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.546 -2.322 5.539 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.760 -4.638 8.404 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.296 -2.462 7.294 1.00 0.00 H new ATOM 83 N CYS A 5 3.896 -5.673 2.794 1.00 0.00 N ATOM 84 CA CYS A 5 3.862 -4.614 1.812 1.00 0.00 C ATOM 85 C CYS A 5 3.505 -5.120 0.408 1.00 0.00 C ATOM 86 O CYS A 5 3.024 -4.343 -0.414 1.00 0.00 O ATOM 87 CB CYS A 5 5.240 -3.928 1.823 1.00 0.00 C ATOM 88 SG CYS A 5 5.224 -2.131 1.989 1.00 0.00 S ATOM 0 H CYS A 5 4.838 -5.903 3.111 1.00 0.00 H new ATOM 0 HA CYS A 5 3.075 -3.906 2.073 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.825 -4.344 2.643 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.759 -4.184 0.899 1.00 0.00 H new ATOM 93 N GLU A 6 3.702 -6.410 0.124 1.00 0.00 N ATOM 94 CA GLU A 6 3.438 -7.001 -1.188 1.00 0.00 C ATOM 95 C GLU A 6 2.051 -7.626 -1.319 1.00 0.00 C ATOM 96 O GLU A 6 1.796 -8.330 -2.300 1.00 0.00 O ATOM 97 CB GLU A 6 4.540 -8.034 -1.500 1.00 0.00 C ATOM 98 CG GLU A 6 4.407 -9.391 -0.785 1.00 0.00 C ATOM 99 CD GLU A 6 4.414 -10.587 -1.732 1.00 0.00 C ATOM 100 OE1 GLU A 6 5.441 -10.833 -2.410 1.00 0.00 O ATOM 101 OE2 GLU A 6 3.448 -11.385 -1.696 1.00 0.00 O ATOM 0 H GLU A 6 4.054 -7.080 0.808 1.00 0.00 H new ATOM 0 HA GLU A 6 3.454 -6.192 -1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.552 -8.211 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.504 -7.599 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.225 -9.498 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.481 -9.399 -0.210 1.00 0.00 H new ATOM 108 N LEU A 7 1.162 -7.437 -0.344 1.00 0.00 N ATOM 109 CA LEU A 7 -0.158 -8.039 -0.406 1.00 0.00 C ATOM 110 C LEU A 7 -1.028 -7.366 -1.466 1.00 0.00 C ATOM 111 O LEU A 7 -0.707 -6.294 -1.977 1.00 0.00 O ATOM 112 CB LEU A 7 -0.809 -8.040 0.979 1.00 0.00 C ATOM 113 CG LEU A 7 0.004 -8.769 2.064 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.806 -8.799 3.355 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.432 -10.196 1.732 1.00 0.00 C ATOM 0 H LEU A 7 1.335 -6.875 0.490 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.053 -9.079 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.968 -7.008 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.792 -8.505 0.905 1.00 0.00 H new ATOM 0 HG LEU A 7 0.928 -8.198 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.237 -9.314 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.016 -7.779 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.745 -9.326 3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.997 -10.610 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.452 -10.809 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.056 -10.190 0.839 1.00 0.00 H new ATOM 127 N ALA A 8 -2.129 -8.016 -1.807 1.00 0.00 N ATOM 128 CA ALA A 8 -3.083 -7.551 -2.802 1.00 0.00 C ATOM 129 C ALA A 8 -4.186 -6.817 -2.045 1.00 0.00 C ATOM 130 O ALA A 8 -4.846 -7.462 -1.222 1.00 0.00 O ATOM 131 CB ALA A 8 -3.631 -8.747 -3.581 1.00 0.00 C ATOM 0 H ALA A 8 -2.392 -8.908 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.623 -6.880 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.346 -8.399 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.810 -9.264 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.128 -9.432 -2.894 1.00 0.00 H new ATOM 137 N PRO A 9 -4.403 -5.509 -2.247 1.00 0.00 N ATOM 138 CA PRO A 9 -5.429 -4.775 -1.525 1.00 0.00 C ATOM 139 C PRO A 9 -6.845 -5.231 -1.908 1.00 0.00 C ATOM 140 O PRO A 9 -7.410 -4.750 -2.888 1.00 0.00 O ATOM 141 CB PRO A 9 -5.200 -3.305 -1.849 1.00 0.00 C ATOM 142 CG PRO A 9 -4.528 -3.346 -3.219 1.00 0.00 C ATOM 143 CD PRO A 9 -3.710 -4.637 -3.184 1.00 0.00 C ATOM 0 HA PRO A 9 -5.356 -4.958 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.137 -2.749 -1.877 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.566 -2.823 -1.105 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.262 -3.359 -4.025 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.894 -2.474 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.651 -5.091 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.687 -4.445 -2.859 1.00 0.00 H new ATOM 151 N SER A 10 -7.450 -6.096 -1.091 1.00 0.00 N ATOM 152 CA SER A 10 -8.790 -6.643 -1.286 1.00 0.00 C ATOM 153 C SER A 10 -9.899 -5.603 -1.007 1.00 0.00 C ATOM 154 O SER A 10 -10.776 -5.814 -0.174 1.00 0.00 O ATOM 155 CB SER A 10 -8.915 -7.914 -0.429 1.00 0.00 C ATOM 156 OG SER A 10 -9.975 -8.709 -0.903 1.00 0.00 O ATOM 0 H SER A 10 -7.001 -6.446 -0.245 1.00 0.00 H new ATOM 0 HA SER A 10 -8.933 -6.909 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.983 -8.478 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.088 -7.645 0.613 1.00 0.00 H new ATOM 0 HG SER A 10 -10.048 -9.518 -0.354 1.00 0.00 H new ATOM 162 N ALA A 11 -9.852 -4.438 -1.651 1.00 0.00 N ATOM 163 CA ALA A 11 -10.813 -3.356 -1.471 1.00 0.00 C ATOM 164 C ALA A 11 -12.218 -3.648 -2.027 1.00 0.00 C ATOM 165 O ALA A 11 -13.155 -2.924 -1.695 1.00 0.00 O ATOM 166 CB ALA A 11 -10.231 -2.098 -2.126 1.00 0.00 C ATOM 0 H ALA A 11 -9.124 -4.217 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.961 -3.225 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.929 -1.270 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.284 -1.845 -1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.066 -2.284 -3.187 1.00 0.00 H new ATOM 172 N GLY A 12 -12.406 -4.700 -2.824 1.00 0.00 N ATOM 173 CA GLY A 12 -13.700 -5.027 -3.412 1.00 0.00 C ATOM 174 C GLY A 12 -14.779 -5.498 -2.436 1.00 0.00 C ATOM 175 O GLY A 12 -15.945 -5.578 -2.829 1.00 0.00 O ATOM 0 H GLY A 12 -11.662 -5.349 -3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.072 -4.147 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.551 -5.805 -4.161 1.00 0.00 H new ATOM 179 N SER A 13 -14.436 -5.771 -1.176 1.00 0.00 N ATOM 180 CA SER A 13 -15.354 -6.251 -0.151 1.00 0.00 C ATOM 181 C SER A 13 -16.586 -5.366 0.079 1.00 0.00 C ATOM 182 O SER A 13 -17.665 -5.910 0.330 1.00 0.00 O ATOM 183 CB SER A 13 -14.574 -6.422 1.155 1.00 0.00 C ATOM 184 OG SER A 13 -13.340 -7.064 0.922 1.00 0.00 O ATOM 0 H SER A 13 -13.482 -5.660 -0.834 1.00 0.00 H new ATOM 0 HA SER A 13 -15.756 -7.199 -0.509 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.401 -5.447 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.164 -7.005 1.862 1.00 0.00 H new ATOM 0 HG SER A 13 -13.270 -7.856 1.495 1.00 0.00 H new ATOM 190 N CYS A 14 -16.458 -4.037 0.049 1.00 0.00 N ATOM 191 CA CYS A 14 -17.565 -3.104 0.260 1.00 0.00 C ATOM 192 C CYS A 14 -17.346 -1.850 -0.574 1.00 0.00 C ATOM 193 O CYS A 14 -16.241 -1.618 -1.070 1.00 0.00 O ATOM 194 CB CYS A 14 -17.654 -2.686 1.734 1.00 0.00 C ATOM 195 SG CYS A 14 -18.045 -4.000 2.917 1.00 0.00 S ATOM 0 H CYS A 14 -15.567 -3.573 -0.126 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.487 -3.606 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.702 -2.239 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.412 -1.908 1.824 1.00 0.00 H new ATOM 200 N PHE A 15 -18.400 -1.050 -0.727 1.00 0.00 N ATOM 201 CA PHE A 15 -18.335 0.184 -1.479 1.00 0.00 C ATOM 202 C PHE A 15 -17.936 1.296 -0.522 1.00 0.00 C ATOM 203 O PHE A 15 -18.713 1.680 0.353 1.00 0.00 O ATOM 204 CB PHE A 15 -19.674 0.520 -2.151 1.00 0.00 C ATOM 205 CG PHE A 15 -19.555 1.685 -3.115 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.349 2.998 -2.642 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.584 1.452 -4.501 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.131 4.051 -3.543 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.425 2.519 -5.399 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.202 3.819 -4.920 1.00 0.00 C ATOM 0 H PHE A 15 -19.319 -1.246 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.601 0.075 -2.277 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -20.040 -0.356 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.413 0.758 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.359 3.194 -1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.729 0.450 -4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -18.908 5.041 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.474 2.339 -6.463 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.085 4.639 -5.614 1.00 0.00 H new ATOM 220 N ALA A 16 -16.705 1.766 -0.654 1.00 0.00 N ATOM 221 CA ALA A 16 -16.153 2.854 0.120 1.00 0.00 C ATOM 222 C ALA A 16 -15.154 3.544 -0.793 1.00 0.00 C ATOM 223 O ALA A 16 -14.563 2.896 -1.662 1.00 0.00 O ATOM 224 CB ALA A 16 -15.478 2.337 1.383 1.00 0.00 C ATOM 0 H ALA A 16 -16.044 1.382 -1.329 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.929 3.543 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.071 3.176 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.208 1.808 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.671 1.657 1.112 1.00 0.00 H new ATOM 230 N PHE A 17 -14.898 4.827 -0.558 1.00 0.00 N ATOM 231 CA PHE A 17 -13.958 5.585 -1.361 1.00 0.00 C ATOM 232 C PHE A 17 -12.963 6.234 -0.412 1.00 0.00 C ATOM 233 O PHE A 17 -13.263 7.272 0.187 1.00 0.00 O ATOM 234 CB PHE A 17 -14.732 6.588 -2.231 1.00 0.00 C ATOM 235 CG PHE A 17 -13.989 7.208 -3.405 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.596 7.061 -3.585 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.728 7.943 -4.350 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.954 7.637 -4.691 1.00 0.00 C ATOM 239 CE2 PHE A 17 -14.085 8.529 -5.453 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.697 8.381 -5.622 1.00 0.00 C ATOM 0 H PHE A 17 -15.336 5.364 0.191 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.396 4.956 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.618 6.085 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.080 7.396 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.020 6.500 -2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.795 8.057 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.890 7.509 -4.826 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.658 9.094 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.203 8.839 -6.466 1.00 0.00 H new ATOM 250 N VAL A 18 -11.806 5.601 -0.239 1.00 0.00 N ATOM 251 CA VAL A 18 -10.719 6.061 0.607 1.00 0.00 C ATOM 252 C VAL A 18 -9.411 5.839 -0.163 1.00 0.00 C ATOM 253 O VAL A 18 -8.811 4.763 -0.057 1.00 0.00 O ATOM 254 CB VAL A 18 -10.764 5.380 2.000 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.777 6.105 2.892 1.00 0.00 C ATOM 256 CG2 VAL A 18 -11.123 3.883 1.994 1.00 0.00 C ATOM 0 H VAL A 18 -11.596 4.718 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.808 7.125 0.827 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.744 5.451 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.808 5.626 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.480 7.147 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.765 6.058 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.127 3.506 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.111 3.747 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.386 3.334 1.407 1.00 0.00 H new ATOM 266 N PRO A 19 -8.928 6.830 -0.934 1.00 0.00 N ATOM 267 CA PRO A 19 -7.684 6.681 -1.670 1.00 0.00 C ATOM 268 C PRO A 19 -6.564 6.555 -0.641 1.00 0.00 C ATOM 269 O PRO A 19 -6.398 7.410 0.231 1.00 0.00 O ATOM 270 CB PRO A 19 -7.555 7.903 -2.578 1.00 0.00 C ATOM 271 CG PRO A 19 -8.410 8.951 -1.874 1.00 0.00 C ATOM 272 CD PRO A 19 -9.505 8.144 -1.178 1.00 0.00 C ATOM 0 HA PRO A 19 -7.643 5.795 -2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.518 8.227 -2.673 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.918 7.697 -3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.824 9.526 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.831 9.662 -2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.808 8.618 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.395 8.071 -1.803 1.00 0.00 H new ATOM 280 N SER A 20 -5.855 5.440 -0.696 1.00 0.00 N ATOM 281 CA SER A 20 -4.747 5.082 0.172 1.00 0.00 C ATOM 282 C SER A 20 -3.485 4.820 -0.667 1.00 0.00 C ATOM 283 O SER A 20 -3.460 5.101 -1.865 1.00 0.00 O ATOM 284 CB SER A 20 -5.167 3.957 1.114 1.00 0.00 C ATOM 285 OG SER A 20 -6.441 4.206 1.690 1.00 0.00 O ATOM 0 H SER A 20 -6.050 4.718 -1.389 1.00 0.00 H new ATOM 0 HA SER A 20 -4.475 5.908 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.192 3.014 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.425 3.847 1.905 1.00 0.00 H new ATOM 0 HG SER A 20 -7.123 4.211 0.986 1.00 0.00 H new ATOM 291 N TYR A 21 -2.394 4.362 -0.058 1.00 0.00 N ATOM 292 CA TYR A 21 -1.118 4.124 -0.733 1.00 0.00 C ATOM 293 C TYR A 21 -0.738 2.645 -0.832 1.00 0.00 C ATOM 294 O TYR A 21 -0.957 1.917 0.129 1.00 0.00 O ATOM 295 CB TYR A 21 -0.072 4.927 0.021 1.00 0.00 C ATOM 296 CG TYR A 21 0.270 6.293 -0.542 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.302 6.495 -1.495 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.451 7.393 -0.044 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.577 7.798 -1.954 1.00 0.00 C ATOM 300 CE2 TYR A 21 -0.130 8.693 -0.448 1.00 0.00 C ATOM 301 CZ TYR A 21 0.877 8.901 -1.413 1.00 0.00 C ATOM 302 OH TYR A 21 1.179 10.174 -1.776 1.00 0.00 O ATOM 0 H TYR A 21 -2.370 4.141 0.938 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.193 4.444 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.417 5.058 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.844 4.337 0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.872 5.656 -1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.258 7.233 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.323 7.955 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.653 9.536 -0.021 1.00 0.00 H new ATOM 0 HH TYR A 21 0.591 10.798 -1.301 1.00 0.00 H new ATOM 312 N TYR A 22 -0.217 2.238 -1.997 1.00 0.00 N ATOM 313 CA TYR A 22 0.224 0.906 -2.430 1.00 0.00 C ATOM 314 C TYR A 22 1.756 0.874 -2.424 1.00 0.00 C ATOM 315 O TYR A 22 2.364 1.945 -2.367 1.00 0.00 O ATOM 316 CB TYR A 22 -0.254 0.712 -3.899 1.00 0.00 C ATOM 317 CG TYR A 22 -0.299 -0.709 -4.445 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.847 -1.321 -4.992 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.523 -1.395 -4.495 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.800 -2.635 -5.495 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.591 -2.685 -5.056 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.429 -3.328 -5.536 1.00 0.00 C ATOM 323 OH TYR A 22 -0.520 -4.568 -6.088 1.00 0.00 O ATOM 0 H TYR A 22 -0.078 2.915 -2.747 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.175 0.132 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.254 1.137 -3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.399 1.299 -4.545 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.777 -0.773 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.416 -0.932 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.702 -3.112 -5.849 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.544 -3.189 -5.120 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.444 -4.887 -6.024 1.00 0.00 H new ATOM 333 N TYR A 23 2.379 -0.304 -2.534 1.00 0.00 N ATOM 334 CA TYR A 23 3.842 -0.500 -2.576 1.00 0.00 C ATOM 335 C TYR A 23 4.215 -1.379 -3.767 1.00 0.00 C ATOM 336 O TYR A 23 3.527 -2.363 -4.029 1.00 0.00 O ATOM 337 CB TYR A 23 4.349 -1.170 -1.298 1.00 0.00 C ATOM 338 CG TYR A 23 5.790 -1.660 -1.342 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.860 -0.750 -1.264 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.066 -3.037 -1.404 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.187 -1.201 -1.206 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.390 -3.496 -1.306 1.00 0.00 C ATOM 343 CZ TYR A 23 8.459 -2.582 -1.228 1.00 0.00 C ATOM 344 OH TYR A 23 9.740 -3.028 -1.147 1.00 0.00 O ATOM 0 H TYR A 23 1.865 -1.182 -2.599 1.00 0.00 H new ATOM 0 HA TYR A 23 4.305 0.483 -2.669 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.249 -0.464 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.702 -2.018 -1.072 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.657 0.311 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.258 -3.743 -1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.998 -0.490 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.590 -4.557 -1.290 1.00 0.00 H new ATOM 0 HH TYR A 23 10.198 -2.576 -0.408 1.00 0.00 H new ATOM 354 N ASN A 24 5.290 -1.043 -4.486 1.00 0.00 N ATOM 355 CA ASN A 24 5.752 -1.808 -5.639 1.00 0.00 C ATOM 356 C ASN A 24 7.255 -2.029 -5.512 1.00 0.00 C ATOM 357 O ASN A 24 8.059 -1.196 -5.940 1.00 0.00 O ATOM 358 CB ASN A 24 5.372 -1.126 -6.971 1.00 0.00 C ATOM 359 CG ASN A 24 4.099 -1.705 -7.580 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.953 -2.918 -7.700 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.162 -0.885 -8.026 1.00 0.00 N ATOM 0 H ASN A 24 5.865 -0.226 -4.280 1.00 0.00 H new ATOM 0 HA ASN A 24 5.253 -2.777 -5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.237 -0.057 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.193 -1.236 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.323 -1.261 -8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.279 0.124 -7.929 1.00 0.00 H new ATOM 368 N GLN A 25 7.639 -3.173 -4.934 1.00 0.00 N ATOM 369 CA GLN A 25 9.038 -3.566 -4.743 1.00 0.00 C ATOM 370 C GLN A 25 9.788 -3.548 -6.075 1.00 0.00 C ATOM 371 O GLN A 25 10.953 -3.167 -6.099 1.00 0.00 O ATOM 372 CB GLN A 25 9.200 -4.940 -4.053 1.00 0.00 C ATOM 373 CG GLN A 25 8.310 -6.099 -4.535 1.00 0.00 C ATOM 374 CD GLN A 25 6.878 -5.980 -4.020 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.630 -6.114 -2.831 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.923 -5.657 -4.873 1.00 0.00 N ATOM 0 H GLN A 25 6.975 -3.862 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 25 9.473 -2.828 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.239 -5.249 -4.163 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.020 -4.802 -2.987 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.302 -6.119 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.737 -7.045 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.140 -5.547 -5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.969 -5.517 -4.541 1.00 0.00 H new ATOM 385 N TYR A 26 9.108 -3.872 -7.181 1.00 0.00 N ATOM 386 CA TYR A 26 9.668 -3.897 -8.528 1.00 0.00 C ATOM 387 C TYR A 26 10.355 -2.575 -8.896 1.00 0.00 C ATOM 388 O TYR A 26 11.345 -2.586 -9.623 1.00 0.00 O ATOM 389 CB TYR A 26 8.542 -4.166 -9.535 1.00 0.00 C ATOM 390 CG TYR A 26 7.653 -5.362 -9.239 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.153 -6.672 -9.365 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.309 -5.160 -8.870 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.307 -7.779 -9.164 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.460 -6.258 -8.660 1.00 0.00 C ATOM 395 CZ TYR A 26 5.948 -7.573 -8.831 1.00 0.00 C ATOM 396 OH TYR A 26 5.090 -8.620 -8.675 1.00 0.00 O ATOM 0 H TYR A 26 8.122 -4.131 -7.157 1.00 0.00 H new ATOM 0 HA TYR A 26 10.420 -4.686 -8.558 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.914 -3.277 -9.593 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.988 -4.305 -10.520 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.191 -6.829 -9.617 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.930 -4.156 -8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.694 -8.782 -9.264 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.433 -6.098 -8.367 1.00 0.00 H new ATOM 0 HH TYR A 26 4.199 -8.282 -8.446 1.00 0.00 H new ATOM 406 N SER A 27 9.848 -1.451 -8.387 1.00 0.00 N ATOM 407 CA SER A 27 10.345 -0.102 -8.623 1.00 0.00 C ATOM 408 C SER A 27 10.948 0.501 -7.341 1.00 0.00 C ATOM 409 O SER A 27 11.295 1.684 -7.324 1.00 0.00 O ATOM 410 CB SER A 27 9.144 0.693 -9.157 1.00 0.00 C ATOM 411 OG SER A 27 9.461 2.006 -9.564 1.00 0.00 O ATOM 0 H SER A 27 9.038 -1.462 -7.767 1.00 0.00 H new ATOM 0 HA SER A 27 11.161 -0.083 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.712 0.156 -10.002 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.378 0.738 -8.383 1.00 0.00 H new ATOM 0 HG SER A 27 10.175 2.362 -8.995 1.00 0.00 H new ATOM 417 N ASN A 28 11.074 -0.293 -6.265 1.00 0.00 N ATOM 418 CA ASN A 28 11.596 0.083 -4.954 1.00 0.00 C ATOM 419 C ASN A 28 10.988 1.419 -4.519 1.00 0.00 C ATOM 420 O ASN A 28 11.687 2.329 -4.072 1.00 0.00 O ATOM 421 CB ASN A 28 13.132 0.059 -4.982 1.00 0.00 C ATOM 422 CG ASN A 28 13.775 0.164 -3.608 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.661 0.978 -3.387 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.418 -0.686 -2.655 1.00 0.00 N ATOM 0 H ASN A 28 10.795 -1.274 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 28 11.301 -0.639 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.463 -0.864 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.487 0.882 -5.602 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.881 -0.658 -1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.680 -1.368 -2.830 1.00 0.00 H new ATOM 431 N THR A 29 9.670 1.551 -4.696 1.00 0.00 N ATOM 432 CA THR A 29 8.932 2.751 -4.353 1.00 0.00 C ATOM 433 C THR A 29 7.472 2.398 -4.052 1.00 0.00 C ATOM 434 O THR A 29 7.120 1.220 -3.922 1.00 0.00 O ATOM 435 CB THR A 29 9.172 3.811 -5.445 1.00 0.00 C ATOM 436 OG1 THR A 29 8.943 5.117 -4.956 1.00 0.00 O ATOM 437 CG2 THR A 29 8.343 3.622 -6.711 1.00 0.00 C ATOM 0 H THR A 29 9.086 0.812 -5.087 1.00 0.00 H new ATOM 0 HA THR A 29 9.288 3.207 -3.429 1.00 0.00 H new ATOM 0 HB THR A 29 10.218 3.675 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.105 5.767 -5.671 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.579 4.414 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.574 2.654 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.283 3.663 -6.461 1.00 0.00 H new ATOM 445 N CYS A 30 6.631 3.416 -3.881 1.00 0.00 N ATOM 446 CA CYS A 30 5.231 3.273 -3.560 1.00 0.00 C ATOM 447 C CYS A 30 4.381 4.254 -4.362 1.00 0.00 C ATOM 448 O CYS A 30 4.923 5.199 -4.939 1.00 0.00 O ATOM 449 CB CYS A 30 5.108 3.510 -2.067 1.00 0.00 C ATOM 450 SG CYS A 30 6.387 2.958 -0.906 1.00 0.00 S ATOM 0 H CYS A 30 6.924 4.389 -3.967 1.00 0.00 H new ATOM 0 HA CYS A 30 4.864 2.280 -3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.996 4.585 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.173 3.048 -1.750 1.00 0.00 H new ATOM 455 N HIS A 31 3.051 4.080 -4.369 1.00 0.00 N ATOM 456 CA HIS A 31 2.190 4.966 -5.144 1.00 0.00 C ATOM 457 C HIS A 31 0.765 4.982 -4.613 1.00 0.00 C ATOM 458 O HIS A 31 0.311 3.965 -4.091 1.00 0.00 O ATOM 459 CB HIS A 31 2.178 4.415 -6.576 1.00 0.00 C ATOM 460 CG HIS A 31 2.085 5.463 -7.639 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.225 5.477 -8.712 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.969 6.492 -7.782 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.570 6.512 -9.494 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.639 7.146 -8.976 1.00 0.00 N ATOM 0 H HIS A 31 2.562 3.347 -3.855 1.00 0.00 H new ATOM 0 HA HIS A 31 2.568 5.987 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.085 3.832 -6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.336 3.731 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.769 6.752 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.064 6.795 -10.405 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.119 7.952 -9.378 1.00 0.00 H new ATOM 472 N SER A 32 0.034 6.091 -4.736 1.00 0.00 N ATOM 473 CA SER A 32 -1.342 6.122 -4.253 1.00 0.00 C ATOM 474 C SER A 32 -2.251 5.337 -5.211 1.00 0.00 C ATOM 475 O SER A 32 -2.042 5.324 -6.429 1.00 0.00 O ATOM 476 CB SER A 32 -1.811 7.533 -3.913 1.00 0.00 C ATOM 477 OG SER A 32 -1.185 8.540 -4.685 1.00 0.00 O ATOM 0 H SER A 32 0.364 6.960 -5.156 1.00 0.00 H new ATOM 0 HA SER A 32 -1.400 5.607 -3.294 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.890 7.593 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.621 7.725 -2.857 1.00 0.00 H new ATOM 0 HG SER A 32 -1.530 9.418 -4.419 1.00 0.00 H new ATOM 483 N PHE A 33 -3.230 4.634 -4.644 1.00 0.00 N ATOM 484 CA PHE A 33 -4.229 3.770 -5.272 1.00 0.00 C ATOM 485 C PHE A 33 -5.575 3.931 -4.532 1.00 0.00 C ATOM 486 O PHE A 33 -5.694 4.797 -3.663 1.00 0.00 O ATOM 487 CB PHE A 33 -3.711 2.322 -5.309 1.00 0.00 C ATOM 488 CG PHE A 33 -3.977 1.532 -4.044 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.272 1.827 -2.868 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.972 0.543 -4.018 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.526 1.110 -1.690 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.274 -0.120 -2.818 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.533 0.148 -1.654 1.00 0.00 C ATOM 0 H PHE A 33 -3.356 4.658 -3.632 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.403 4.059 -6.309 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.173 1.805 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.637 2.337 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.529 2.611 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.506 0.292 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.938 1.305 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.079 -0.839 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.743 -0.387 -0.740 1.00 0.00 H new ATOM 503 N THR A 34 -6.622 3.191 -4.900 1.00 0.00 N ATOM 504 CA THR A 34 -7.955 3.277 -4.251 1.00 0.00 C ATOM 505 C THR A 34 -8.211 2.111 -3.272 1.00 0.00 C ATOM 506 O THR A 34 -8.046 0.950 -3.654 1.00 0.00 O ATOM 507 CB THR A 34 -9.081 3.401 -5.296 1.00 0.00 C ATOM 508 OG1 THR A 34 -9.012 2.400 -6.287 1.00 0.00 O ATOM 509 CG2 THR A 34 -9.070 4.754 -6.008 1.00 0.00 C ATOM 0 H THR A 34 -6.581 2.509 -5.658 1.00 0.00 H new ATOM 0 HA THR A 34 -7.956 4.188 -3.653 1.00 0.00 H new ATOM 0 HB THR A 34 -10.001 3.290 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.747 2.520 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.883 4.790 -6.734 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.201 5.551 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.118 4.887 -6.522 1.00 0.00 H new ATOM 517 N TYR A 35 -8.616 2.390 -2.020 1.00 0.00 N ATOM 518 CA TYR A 35 -8.887 1.369 -0.996 1.00 0.00 C ATOM 519 C TYR A 35 -10.362 1.384 -0.573 1.00 0.00 C ATOM 520 O TYR A 35 -11.160 2.119 -1.154 1.00 0.00 O ATOM 521 CB TYR A 35 -7.963 1.529 0.219 1.00 0.00 C ATOM 522 CG TYR A 35 -7.751 0.288 1.069 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.135 -0.853 0.521 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.046 0.320 2.443 1.00 0.00 C ATOM 525 CE1 TYR A 35 -6.732 -1.916 1.350 1.00 0.00 C ATOM 526 CE2 TYR A 35 -7.672 -0.749 3.274 1.00 0.00 C ATOM 527 CZ TYR A 35 -6.963 -1.845 2.743 1.00 0.00 C ATOM 528 OH TYR A 35 -6.478 -2.800 3.580 1.00 0.00 O ATOM 0 H TYR A 35 -8.766 3.343 -1.688 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.677 0.397 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.991 1.873 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.368 2.315 0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.970 -0.913 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.563 1.171 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.248 -2.783 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.929 -0.731 4.323 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.605 -3.105 3.257 1.00 0.00 H new ATOM 538 N SER A 36 -10.742 0.570 0.414 1.00 0.00 N ATOM 539 CA SER A 36 -12.098 0.482 0.937 1.00 0.00 C ATOM 540 C SER A 36 -12.036 0.346 2.463 1.00 0.00 C ATOM 541 O SER A 36 -10.957 0.263 3.059 1.00 0.00 O ATOM 542 CB SER A 36 -12.830 -0.681 0.247 1.00 0.00 C ATOM 543 OG SER A 36 -14.198 -0.774 0.596 1.00 0.00 O ATOM 0 H SER A 36 -10.093 -0.062 0.882 1.00 0.00 H new ATOM 0 HA SER A 36 -12.669 1.385 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.746 -0.563 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.333 -1.616 0.505 1.00 0.00 H new ATOM 0 HG SER A 36 -14.708 -1.112 -0.169 1.00 0.00 H new ATOM 549 N GLY A 37 -13.196 0.380 3.112 1.00 0.00 N ATOM 550 CA GLY A 37 -13.299 0.249 4.551 1.00 0.00 C ATOM 551 C GLY A 37 -13.144 -1.225 4.910 1.00 0.00 C ATOM 552 O GLY A 37 -12.206 -1.595 5.618 1.00 0.00 O ATOM 0 H GLY A 37 -14.095 0.500 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.528 0.843 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -14.261 0.625 4.899 1.00 0.00 H new ATOM 556 N CYS A 38 -14.033 -2.066 4.381 1.00 0.00 N ATOM 557 CA CYS A 38 -14.036 -3.509 4.598 1.00 0.00 C ATOM 558 C CYS A 38 -12.815 -4.184 3.961 1.00 0.00 C ATOM 559 O CYS A 38 -12.076 -3.566 3.191 1.00 0.00 O ATOM 560 CB CYS A 38 -15.278 -4.100 3.930 1.00 0.00 C ATOM 561 SG CYS A 38 -16.875 -3.489 4.492 1.00 0.00 S ATOM 0 H CYS A 38 -14.790 -1.752 3.774 1.00 0.00 H new ATOM 0 HA CYS A 38 -14.021 -3.683 5.674 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.204 -3.920 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.259 -5.180 4.074 1.00 0.00 H new ATOM 566 N GLY A 39 -12.674 -5.483 4.234 1.00 0.00 N ATOM 567 CA GLY A 39 -11.636 -6.386 3.763 1.00 0.00 C ATOM 568 C GLY A 39 -10.279 -5.723 3.632 1.00 0.00 C ATOM 569 O GLY A 39 -9.718 -5.254 4.625 1.00 0.00 O ATOM 0 H GLY A 39 -13.340 -5.964 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.557 -7.228 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.929 -6.792 2.795 1.00 0.00 H new ATOM 573 N GLY A 40 -9.745 -5.681 2.416 1.00 0.00 N ATOM 574 CA GLY A 40 -8.447 -5.096 2.135 1.00 0.00 C ATOM 575 C GLY A 40 -7.327 -5.921 2.774 1.00 0.00 C ATOM 576 O GLY A 40 -7.576 -6.897 3.479 1.00 0.00 O ATOM 0 H GLY A 40 -10.210 -6.058 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.294 -5.041 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.414 -4.075 2.514 1.00 0.00 H new ATOM 580 N ASN A 41 -6.074 -5.582 2.470 1.00 0.00 N ATOM 581 CA ASN A 41 -4.899 -6.248 3.042 1.00 0.00 C ATOM 582 C ASN A 41 -3.906 -5.190 3.516 1.00 0.00 C ATOM 583 O ASN A 41 -4.016 -4.018 3.136 1.00 0.00 O ATOM 584 CB ASN A 41 -4.235 -7.252 2.080 1.00 0.00 C ATOM 585 CG ASN A 41 -4.938 -8.606 2.099 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.982 -9.264 3.136 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.465 -9.071 0.983 1.00 0.00 N ATOM 0 H ASN A 41 -5.842 -4.834 1.817 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.237 -6.845 3.889 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.250 -6.849 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.189 -7.382 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.915 -9.986 0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.422 -8.515 0.129 1.00 0.00 H new ATOM 594 N ALA A 42 -2.886 -5.632 4.258 1.00 0.00 N ATOM 595 CA ALA A 42 -1.823 -4.818 4.838 1.00 0.00 C ATOM 596 C ALA A 42 -1.033 -3.975 3.832 1.00 0.00 C ATOM 597 O ALA A 42 -0.331 -3.064 4.264 1.00 0.00 O ATOM 598 CB ALA A 42 -0.858 -5.716 5.611 1.00 0.00 C ATOM 0 H ALA A 42 -2.778 -6.622 4.480 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.324 -4.106 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.064 -5.108 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.397 -6.230 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.424 -6.451 4.934 1.00 0.00 H new ATOM 604 N ASN A 43 -1.133 -4.248 2.522 1.00 0.00 N ATOM 605 CA ASN A 43 -0.441 -3.476 1.485 1.00 0.00 C ATOM 606 C ASN A 43 -0.889 -1.999 1.445 1.00 0.00 C ATOM 607 O ASN A 43 -0.307 -1.201 0.716 1.00 0.00 O ATOM 608 CB ASN A 43 -0.622 -4.193 0.135 1.00 0.00 C ATOM 609 CG ASN A 43 -0.945 -3.291 -1.051 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.046 -2.763 -1.139 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.048 -3.152 -2.009 1.00 0.00 N ATOM 0 H ASN A 43 -1.698 -5.013 2.154 1.00 0.00 H new ATOM 0 HA ASN A 43 0.622 -3.433 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.291 -4.744 -0.089 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.421 -4.928 0.238 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.268 -2.599 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.865 -3.598 -1.921 1.00 0.00 H new ATOM 618 N ARG A 44 -1.932 -1.621 2.190 1.00 0.00 N ATOM 619 CA ARG A 44 -2.431 -0.259 2.242 1.00 0.00 C ATOM 620 C ARG A 44 -1.677 0.551 3.291 1.00 0.00 C ATOM 621 O ARG A 44 -1.560 0.117 4.437 1.00 0.00 O ATOM 622 CB ARG A 44 -3.923 -0.314 2.577 1.00 0.00 C ATOM 623 CG ARG A 44 -4.590 1.068 2.672 1.00 0.00 C ATOM 624 CD ARG A 44 -5.082 1.404 4.086 1.00 0.00 C ATOM 625 NE ARG A 44 -5.980 2.574 4.081 1.00 0.00 N ATOM 626 CZ ARG A 44 -7.043 2.784 4.866 1.00 0.00 C ATOM 627 NH1 ARG A 44 -7.405 1.925 5.809 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.758 3.886 4.685 1.00 0.00 N ATOM 0 H ARG A 44 -2.456 -2.268 2.780 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.280 0.230 1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.435 -0.902 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.054 -0.836 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.880 1.830 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.433 1.106 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.605 0.544 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.227 1.603 4.732 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.767 3.305 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.867 1.071 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.222 2.118 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.493 4.552 3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.573 4.067 5.271 1.00 0.00 H new ATOM 642 N PHE A 45 -1.288 1.773 2.934 1.00 0.00 N ATOM 643 CA PHE A 45 -0.587 2.730 3.783 1.00 0.00 C ATOM 644 C PHE A 45 -1.299 4.070 3.701 1.00 0.00 C ATOM 645 O PHE A 45 -2.207 4.268 2.888 1.00 0.00 O ATOM 646 CB PHE A 45 0.883 2.892 3.362 1.00 0.00 C ATOM 647 CG PHE A 45 1.537 1.567 3.091 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.624 0.616 4.122 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.829 1.212 1.765 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.936 -0.712 3.809 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.200 -0.101 1.467 1.00 0.00 C ATOM 652 CZ PHE A 45 2.218 -1.063 2.483 1.00 0.00 C ATOM 0 H PHE A 45 -1.462 2.139 1.998 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.595 2.357 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.938 3.514 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.430 3.413 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.452 0.908 5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.767 1.950 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.959 -1.462 4.586 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.472 -0.372 0.458 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.452 -2.089 2.241 1.00 0.00 H new ATOM 662 N ARG A 46 -0.866 5.003 4.545 1.00 0.00 N ATOM 663 CA ARG A 46 -1.399 6.359 4.619 1.00 0.00 C ATOM 664 C ARG A 46 -0.496 7.321 3.858 1.00 0.00 C ATOM 665 O ARG A 46 -0.914 8.438 3.577 1.00 0.00 O ATOM 666 CB ARG A 46 -1.665 6.796 6.076 1.00 0.00 C ATOM 667 CG ARG A 46 -0.752 6.226 7.175 1.00 0.00 C ATOM 668 CD ARG A 46 0.751 6.436 6.963 1.00 0.00 C ATOM 669 NE ARG A 46 1.099 7.865 6.925 1.00 0.00 N ATOM 670 CZ ARG A 46 1.766 8.532 7.873 1.00 0.00 C ATOM 671 NH1 ARG A 46 2.267 7.895 8.925 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.943 9.840 7.752 1.00 0.00 N ATOM 0 H ARG A 46 -0.115 4.831 5.214 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.374 6.377 4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.599 7.883 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.693 6.530 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.033 6.678 8.126 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.942 5.156 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.304 5.948 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.057 5.962 6.031 1.00 0.00 H new ATOM 0 HE ARG A 46 0.806 8.393 6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.145 6.886 9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.774 8.414 9.642 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.571 10.332 6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.451 10.355 8.472 1.00 0.00 H new ATOM 686 N THR A 47 0.749 6.944 3.564 1.00 0.00 N ATOM 687 CA THR A 47 1.661 7.777 2.814 1.00 0.00 C ATOM 688 C THR A 47 2.814 6.955 2.261 1.00 0.00 C ATOM 689 O THR A 47 3.164 5.912 2.826 1.00 0.00 O ATOM 690 CB THR A 47 2.169 8.976 3.643 1.00 0.00 C ATOM 691 OG1 THR A 47 2.786 9.872 2.745 1.00 0.00 O ATOM 692 CG2 THR A 47 3.205 8.568 4.696 1.00 0.00 C ATOM 0 H THR A 47 1.145 6.047 3.845 1.00 0.00 H new ATOM 0 HA THR A 47 1.106 8.191 1.972 1.00 0.00 H new ATOM 0 HB THR A 47 1.322 9.417 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.121 10.650 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.528 9.450 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.760 7.850 5.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.065 8.114 4.204 1.00 0.00 H new ATOM 700 N ILE A 48 3.400 7.452 1.168 1.00 0.00 N ATOM 701 CA ILE A 48 4.562 6.842 0.547 1.00 0.00 C ATOM 702 C ILE A 48 5.706 7.006 1.536 1.00 0.00 C ATOM 703 O ILE A 48 6.604 6.178 1.550 1.00 0.00 O ATOM 704 CB ILE A 48 4.953 7.494 -0.797 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.360 6.997 -1.229 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.893 9.037 -0.752 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.682 7.297 -2.694 1.00 0.00 C ATOM 0 H ILE A 48 3.074 8.293 0.692 1.00 0.00 H new ATOM 0 HA ILE A 48 4.337 5.800 0.319 1.00 0.00 H new ATOM 0 HB ILE A 48 4.218 7.187 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.114 7.464 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.425 5.922 -1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.178 9.441 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.879 9.355 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.580 9.406 0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.678 6.924 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.949 6.807 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.648 8.374 -2.861 1.00 0.00 H new ATOM 719 N ASP A 49 5.704 8.074 2.335 1.00 0.00 N ATOM 720 CA ASP A 49 6.745 8.314 3.309 1.00 0.00 C ATOM 721 C ASP A 49 6.822 7.099 4.220 1.00 0.00 C ATOM 722 O ASP A 49 7.866 6.486 4.291 1.00 0.00 O ATOM 723 CB ASP A 49 6.525 9.615 4.093 1.00 0.00 C ATOM 724 CG ASP A 49 7.387 10.758 3.590 1.00 0.00 C ATOM 725 OD1 ASP A 49 7.443 11.022 2.371 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.953 11.475 4.443 1.00 0.00 O ATOM 0 H ASP A 49 4.978 8.790 2.318 1.00 0.00 H new ATOM 0 HA ASP A 49 7.698 8.452 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.475 9.901 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.741 9.440 5.147 1.00 0.00 H new ATOM 731 N GLU A 50 5.738 6.673 4.868 1.00 0.00 N ATOM 732 CA GLU A 50 5.803 5.533 5.765 1.00 0.00 C ATOM 733 C GLU A 50 6.125 4.277 4.982 1.00 0.00 C ATOM 734 O GLU A 50 6.925 3.469 5.436 1.00 0.00 O ATOM 735 CB GLU A 50 4.478 5.390 6.515 1.00 0.00 C ATOM 736 CG GLU A 50 4.501 4.299 7.604 1.00 0.00 C ATOM 737 CD GLU A 50 5.646 4.466 8.615 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.957 5.621 8.985 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.251 3.449 9.038 1.00 0.00 O ATOM 0 H GLU A 50 4.815 7.099 4.786 1.00 0.00 H new ATOM 0 HA GLU A 50 6.596 5.689 6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.225 6.345 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.688 5.161 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.551 4.310 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.587 3.323 7.127 1.00 0.00 H new ATOM 746 N CYS A 51 5.525 4.121 3.804 1.00 0.00 N ATOM 747 CA CYS A 51 5.753 2.961 2.975 1.00 0.00 C ATOM 748 C CYS A 51 7.211 2.813 2.559 1.00 0.00 C ATOM 749 O CYS A 51 7.731 1.707 2.524 1.00 0.00 O ATOM 750 CB CYS A 51 4.881 3.080 1.743 1.00 0.00 C ATOM 751 SG CYS A 51 5.280 1.892 0.444 1.00 0.00 S ATOM 0 H CYS A 51 4.872 4.797 3.407 1.00 0.00 H new ATOM 0 HA CYS A 51 5.500 2.073 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.839 2.948 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.975 4.088 1.340 1.00 0.00 H new ATOM 756 N ASN A 52 7.890 3.902 2.223 1.00 0.00 N ATOM 757 CA ASN A 52 9.278 3.813 1.793 1.00 0.00 C ATOM 758 C ASN A 52 10.173 3.525 2.985 1.00 0.00 C ATOM 759 O ASN A 52 11.037 2.658 2.957 1.00 0.00 O ATOM 760 CB ASN A 52 9.693 4.994 0.911 1.00 0.00 C ATOM 761 CG ASN A 52 10.299 6.187 1.624 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.408 6.120 2.149 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.604 7.306 1.580 1.00 0.00 N ATOM 0 H ASN A 52 7.507 4.847 2.239 1.00 0.00 H new ATOM 0 HA ASN A 52 9.401 2.961 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.412 4.635 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.816 5.334 0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.984 8.159 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.687 7.319 1.135 1.00 0.00 H new ATOM 770 N ARG A 53 9.880 4.156 4.100 1.00 0.00 N ATOM 771 CA ARG A 53 10.653 3.945 5.331 1.00 0.00 C ATOM 772 C ARG A 53 10.461 2.527 5.862 1.00 0.00 C ATOM 773 O ARG A 53 11.388 1.904 6.375 1.00 0.00 O ATOM 774 CB ARG A 53 10.202 4.941 6.400 1.00 0.00 C ATOM 775 CG ARG A 53 10.347 6.382 5.921 1.00 0.00 C ATOM 776 CD ARG A 53 11.782 6.900 5.880 1.00 0.00 C ATOM 777 NE ARG A 53 12.383 6.917 7.221 1.00 0.00 N ATOM 778 CZ ARG A 53 13.631 6.574 7.546 1.00 0.00 C ATOM 779 NH1 ARG A 53 14.514 6.198 6.628 1.00 0.00 N ATOM 780 NH2 ARG A 53 13.991 6.645 8.817 1.00 0.00 N ATOM 0 H ARG A 53 9.114 4.823 4.193 1.00 0.00 H new ATOM 0 HA ARG A 53 11.707 4.094 5.098 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.162 4.747 6.663 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.792 4.797 7.305 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.917 6.463 4.923 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.761 7.028 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.379 6.271 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.796 7.906 5.460 1.00 0.00 H new ATOM 0 HE ARG A 53 11.782 7.224 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.245 6.166 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.461 5.941 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.321 6.956 9.520 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.939 6.389 9.094 1.00 0.00 H new ATOM 794 N THR A 54 9.253 1.996 5.737 1.00 0.00 N ATOM 795 CA THR A 54 8.904 0.669 6.209 1.00 0.00 C ATOM 796 C THR A 54 9.138 -0.392 5.130 1.00 0.00 C ATOM 797 O THR A 54 9.163 -1.563 5.509 1.00 0.00 O ATOM 798 CB THR A 54 7.457 0.707 6.767 1.00 0.00 C ATOM 799 OG1 THR A 54 7.213 -0.220 7.816 1.00 0.00 O ATOM 800 CG2 THR A 54 6.361 0.488 5.715 1.00 0.00 C ATOM 0 H THR A 54 8.475 2.487 5.296 1.00 0.00 H new ATOM 0 HA THR A 54 9.561 0.369 7.025 1.00 0.00 H new ATOM 0 HB THR A 54 7.399 1.726 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.284 -0.137 8.116 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.383 0.531 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.427 1.266 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.494 -0.488 5.249 1.00 0.00 H new ATOM 808 N CYS A 55 9.355 -0.034 3.849 1.00 0.00 N ATOM 809 CA CYS A 55 9.525 -1.082 2.808 1.00 0.00 C ATOM 810 C CYS A 55 10.507 -0.828 1.665 1.00 0.00 C ATOM 811 O CYS A 55 10.798 -1.751 0.907 1.00 0.00 O ATOM 812 CB CYS A 55 8.170 -1.408 2.149 1.00 0.00 C ATOM 813 SG CYS A 55 6.778 -1.772 3.241 1.00 0.00 S ATOM 0 H CYS A 55 9.416 0.927 3.514 1.00 0.00 H new ATOM 0 HA CYS A 55 9.957 -1.894 3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.891 -0.564 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.314 -2.264 1.490 1.00 0.00 H new ATOM 818 N VAL A 56 10.983 0.382 1.439 1.00 0.00 N ATOM 819 CA VAL A 56 11.931 0.678 0.369 1.00 0.00 C ATOM 820 C VAL A 56 13.313 0.474 0.981 1.00 0.00 C ATOM 821 O VAL A 56 13.897 1.393 1.558 1.00 0.00 O ATOM 822 CB VAL A 56 11.624 2.066 -0.208 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.696 2.717 -1.072 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.320 1.979 -1.019 1.00 0.00 C ATOM 0 H VAL A 56 10.724 1.197 1.995 1.00 0.00 H new ATOM 0 HA VAL A 56 11.866 0.025 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 56 11.556 2.715 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.347 3.692 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.608 2.842 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.902 2.084 -1.935 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.086 2.958 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.442 1.259 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.507 1.659 -0.367 1.00 0.00 H new ATOM 834 N GLY A 57 13.820 -0.753 0.842 1.00 0.00 N ATOM 835 CA GLY A 57 15.112 -1.180 1.359 1.00 0.00 C ATOM 836 C GLY A 57 14.928 -2.329 2.326 1.00 0.00 C ATOM 837 O GLY A 57 15.739 -2.468 3.263 1.00 0.00 O ATOM 0 H GLY A 57 13.323 -1.496 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.759 -1.486 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.606 -0.347 1.860 1.00 0.00 H new TER 841 GLY A 57