USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 150 THR OG1 : rot -160:sc= -0.356 USER MOD Set 1.2: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -0.232 K(o=-0.23,f=-2.4!) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 155 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4!) USER MOD Single : A 160 LYS NZ :NH3+ -155:sc= 0.313 (180deg=0.107) USER MOD Single : A 162 LYS NZ :NH3+ 158:sc= -1.28 (180deg=-2.44!) USER MOD Single : A 166 THR OG1 : rot 49:sc= 0.00211 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot 180:sc= 0 USER MOD Single : A 180 GLN : amide:sc= -2.57! C(o=-2.6!,f=-7.7!) USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 0.431 -14.248 -12.082 1.00 0.00 N ATOM 2 CA ALA A 127 1.006 -13.002 -11.514 1.00 0.00 C ATOM 3 C ALA A 127 0.324 -12.634 -10.200 1.00 0.00 C ATOM 4 O ALA A 127 0.936 -12.025 -9.322 1.00 0.00 O ATOM 5 CB ALA A 127 0.879 -11.860 -12.512 1.00 0.00 C ATOM 0 HA ALA A 127 2.062 -13.178 -11.310 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.304 -10.953 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.415 -12.115 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -0.173 -11.694 -12.742 1.00 0.00 H new ATOM 13 N GLN A 128 -0.944 -13.009 -10.071 1.00 0.00 N ATOM 14 CA GLN A 128 -1.708 -12.720 -8.863 1.00 0.00 C ATOM 15 C GLN A 128 -1.802 -11.216 -8.625 1.00 0.00 C ATOM 16 O GLN A 128 -0.991 -10.443 -9.135 1.00 0.00 O ATOM 17 CB GLN A 128 -1.065 -13.402 -7.654 1.00 0.00 C ATOM 18 CG GLN A 128 -2.050 -14.192 -6.807 1.00 0.00 C ATOM 19 CD GLN A 128 -1.931 -15.689 -7.018 1.00 0.00 C ATOM 20 OE1 GLN A 128 -1.185 -16.149 -7.881 1.00 0.00 O ATOM 21 NE2 GLN A 128 -2.672 -16.458 -6.228 1.00 0.00 N ATOM 0 H GLN A 128 -1.465 -13.514 -10.788 1.00 0.00 H new ATOM 0 HA GLN A 128 -2.717 -13.111 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -0.278 -14.072 -8.001 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -0.588 -12.645 -7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.884 -13.963 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -3.065 -13.875 -7.046 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -3.277 -16.034 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -2.636 -17.473 -6.324 1.00 0.00 H new ATOM 30 N VAL A 129 -2.799 -10.809 -7.846 1.00 0.00 N ATOM 31 CA VAL A 129 -3.002 -9.399 -7.537 1.00 0.00 C ATOM 32 C VAL A 129 -3.359 -9.207 -6.067 1.00 0.00 C ATOM 33 O VAL A 129 -4.151 -8.331 -5.718 1.00 0.00 O ATOM 34 CB VAL A 129 -4.113 -8.785 -8.410 1.00 0.00 C ATOM 35 CG1 VAL A 129 -3.635 -8.620 -9.845 1.00 0.00 C ATOM 36 CG2 VAL A 129 -5.370 -9.642 -8.355 1.00 0.00 C ATOM 0 H VAL A 129 -3.479 -11.437 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.063 -8.889 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.356 -7.798 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.433 -8.185 -10.447 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.766 -7.963 -9.866 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.363 -9.594 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.144 -9.193 -8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.144 -10.643 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.723 -9.704 -7.326 1.00 0.00 H new ATOM 46 N ALA A 130 -2.770 -10.033 -5.209 1.00 0.00 N ATOM 47 CA ALA A 130 -3.025 -9.957 -3.776 1.00 0.00 C ATOM 48 C ALA A 130 -2.257 -8.802 -3.141 1.00 0.00 C ATOM 49 O ALA A 130 -1.091 -8.569 -3.462 1.00 0.00 O ATOM 50 CB ALA A 130 -2.654 -11.271 -3.104 1.00 0.00 C ATOM 0 H ALA A 130 -2.112 -10.763 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.090 -9.774 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -2.849 -11.200 -2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -3.250 -12.078 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.596 -11.477 -3.267 1.00 0.00 H new ATOM 56 N PHE A 131 -2.918 -8.083 -2.241 1.00 0.00 N ATOM 57 CA PHE A 131 -2.298 -6.951 -1.561 1.00 0.00 C ATOM 58 C PHE A 131 -1.666 -7.387 -0.244 1.00 0.00 C ATOM 59 O PHE A 131 -2.128 -8.333 0.395 1.00 0.00 O ATOM 60 CB PHE A 131 -3.332 -5.855 -1.305 1.00 0.00 C ATOM 61 CG PHE A 131 -2.728 -4.490 -1.124 1.00 0.00 C ATOM 62 CD1 PHE A 131 -2.072 -3.867 -2.173 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.817 -3.836 0.092 1.00 0.00 C ATOM 64 CE1 PHE A 131 -1.513 -2.613 -2.010 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.262 -2.582 0.261 1.00 0.00 C ATOM 66 CZ PHE A 131 -1.608 -1.969 -0.790 1.00 0.00 C ATOM 0 H PHE A 131 -3.883 -8.264 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.513 -6.557 -2.207 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -4.033 -5.826 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -3.907 -6.110 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.996 -4.366 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -3.326 -4.311 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -1.003 -2.137 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -2.340 -2.081 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 131 -1.172 -0.990 -0.659 1.00 0.00 H new ATOM 76 N ARG A 132 -0.607 -6.691 0.157 1.00 0.00 N ATOM 77 CA ARG A 132 0.090 -7.004 1.399 1.00 0.00 C ATOM 78 C ARG A 132 0.613 -5.735 2.064 1.00 0.00 C ATOM 79 O ARG A 132 0.999 -4.783 1.386 1.00 0.00 O ATOM 80 CB ARG A 132 1.247 -7.968 1.131 1.00 0.00 C ATOM 81 CG ARG A 132 0.809 -9.415 0.966 1.00 0.00 C ATOM 82 CD ARG A 132 1.757 -10.183 0.059 1.00 0.00 C ATOM 83 NE ARG A 132 2.829 -10.830 0.809 1.00 0.00 N ATOM 84 CZ ARG A 132 3.888 -11.406 0.242 1.00 0.00 C ATOM 85 NH1 ARG A 132 4.018 -11.418 -1.078 1.00 0.00 N ATOM 86 NH2 ARG A 132 4.818 -11.972 0.999 1.00 0.00 N ATOM 0 H ARG A 132 -0.213 -5.906 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 132 -0.620 -7.480 2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.771 -7.651 0.230 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.960 -7.904 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.767 -9.897 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -0.199 -9.446 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 132 1.197 -10.936 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.188 -9.502 -0.675 1.00 0.00 H new ATOM 0 HE ARG A 132 2.764 -10.842 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.305 -10.985 -1.665 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.831 -11.861 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 132 4.722 -11.966 2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 132 5.629 -12.413 0.566 1.00 0.00 H new ATOM 100 N GLU A 133 0.624 -5.728 3.392 1.00 0.00 N ATOM 101 CA GLU A 133 1.102 -4.576 4.147 1.00 0.00 C ATOM 102 C GLU A 133 2.585 -4.331 3.886 1.00 0.00 C ATOM 103 O GLU A 133 3.366 -5.274 3.754 1.00 0.00 O ATOM 104 CB GLU A 133 0.863 -4.785 5.643 1.00 0.00 C ATOM 105 CG GLU A 133 1.428 -6.093 6.171 1.00 0.00 C ATOM 106 CD GLU A 133 0.376 -7.177 6.284 1.00 0.00 C ATOM 107 OE1 GLU A 133 -0.371 -7.179 7.285 1.00 0.00 O ATOM 108 OE2 GLU A 133 0.299 -8.028 5.372 1.00 0.00 O ATOM 0 H GLU A 133 0.307 -6.508 3.968 1.00 0.00 H new ATOM 0 HA GLU A 133 0.544 -3.700 3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 133 1.310 -3.957 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.209 -4.756 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 133 2.226 -6.433 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 133 1.876 -5.922 7.150 1.00 0.00 H new ATOM 115 N GLY A 134 2.967 -3.061 3.813 1.00 0.00 N ATOM 116 CA GLY A 134 4.356 -2.717 3.568 1.00 0.00 C ATOM 117 C GLY A 134 4.666 -2.539 2.092 1.00 0.00 C ATOM 118 O GLY A 134 5.717 -2.006 1.735 1.00 0.00 O ATOM 0 H GLY A 134 2.340 -2.263 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.597 -1.796 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.997 -3.498 3.978 1.00 0.00 H new ATOM 122 N ASP A 135 3.756 -2.989 1.233 1.00 0.00 N ATOM 123 CA ASP A 135 3.943 -2.875 -0.210 1.00 0.00 C ATOM 124 C ASP A 135 4.218 -1.429 -0.614 1.00 0.00 C ATOM 125 O ASP A 135 3.996 -0.504 0.167 1.00 0.00 O ATOM 126 CB ASP A 135 2.710 -3.398 -0.948 1.00 0.00 C ATOM 127 CG ASP A 135 2.770 -4.894 -1.186 1.00 0.00 C ATOM 128 OD1 ASP A 135 3.884 -5.456 -1.148 1.00 0.00 O ATOM 129 OD2 ASP A 135 1.703 -5.504 -1.407 1.00 0.00 O ATOM 0 H ASP A 135 2.882 -3.436 1.511 1.00 0.00 H new ATOM 0 HA ASP A 135 4.807 -3.479 -0.487 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.816 -3.160 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 135 2.617 -2.884 -1.905 1.00 0.00 H new ATOM 134 N GLN A 136 4.705 -1.243 -1.837 1.00 0.00 N ATOM 135 CA GLN A 136 5.013 0.090 -2.341 1.00 0.00 C ATOM 136 C GLN A 136 4.153 0.430 -3.555 1.00 0.00 C ATOM 137 O GLN A 136 4.264 -0.206 -4.604 1.00 0.00 O ATOM 138 CB GLN A 136 6.495 0.189 -2.710 1.00 0.00 C ATOM 139 CG GLN A 136 6.996 -0.985 -3.533 1.00 0.00 C ATOM 140 CD GLN A 136 8.034 -0.576 -4.560 1.00 0.00 C ATOM 141 OE1 GLN A 136 9.070 -0.005 -4.218 1.00 0.00 O ATOM 142 NE2 GLN A 136 7.761 -0.868 -5.826 1.00 0.00 N ATOM 0 H GLN A 136 4.894 -1.998 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 136 4.792 0.807 -1.551 1.00 0.00 H new ATOM 0 HB2 GLN A 136 6.661 1.110 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 136 7.085 0.259 -1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 136 7.424 -1.734 -2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 136 6.153 -1.454 -4.041 1.00 0.00 H new ATOM 0 HE21 GLN A 136 6.890 -1.342 -6.064 1.00 0.00 H new ATOM 0 HE22 GLN A 136 8.423 -0.618 -6.561 1.00 0.00 H new ATOM 151 N VAL A 137 3.298 1.437 -3.405 1.00 0.00 N ATOM 152 CA VAL A 137 2.421 1.866 -4.487 1.00 0.00 C ATOM 153 C VAL A 137 2.633 3.341 -4.807 1.00 0.00 C ATOM 154 O VAL A 137 2.969 4.132 -3.926 1.00 0.00 O ATOM 155 CB VAL A 137 0.941 1.636 -4.133 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.634 0.147 -4.057 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.592 2.327 -2.824 1.00 0.00 C ATOM 0 H VAL A 137 3.194 1.972 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 137 2.674 1.266 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 137 0.326 2.070 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.417 0.005 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.843 -0.317 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.256 -0.314 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.458 2.154 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.213 1.925 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.770 3.398 -2.919 1.00 0.00 H new ATOM 167 N ARG A 138 2.434 3.708 -6.068 1.00 0.00 N ATOM 168 CA ARG A 138 2.608 5.092 -6.496 1.00 0.00 C ATOM 169 C ARG A 138 1.387 5.930 -6.133 1.00 0.00 C ATOM 170 O ARG A 138 0.342 5.400 -5.757 1.00 0.00 O ATOM 171 CB ARG A 138 2.860 5.160 -8.004 1.00 0.00 C ATOM 172 CG ARG A 138 4.017 6.071 -8.389 1.00 0.00 C ATOM 173 CD ARG A 138 5.356 5.458 -8.015 1.00 0.00 C ATOM 174 NE ARG A 138 5.814 4.492 -9.011 1.00 0.00 N ATOM 175 CZ ARG A 138 7.068 4.052 -9.096 1.00 0.00 C ATOM 176 NH1 ARG A 138 7.991 4.488 -8.248 1.00 0.00 N ATOM 177 NH2 ARG A 138 7.398 3.174 -10.032 1.00 0.00 N ATOM 0 H ARG A 138 2.153 3.068 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 138 3.475 5.499 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 138 3.061 4.155 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.954 5.508 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.990 6.262 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 138 3.905 7.034 -7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 138 6.099 6.248 -7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 138 5.272 4.967 -7.046 1.00 0.00 H new ATOM 0 HE ARG A 138 5.133 4.134 -9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 138 7.742 5.164 -7.526 1.00 0.00 H new ATOM 0 HH12 ARG A 138 8.950 4.147 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 138 6.692 2.836 -10.686 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.358 2.836 -10.098 1.00 0.00 H new ATOM 191 N VAL A 139 1.531 7.245 -6.249 1.00 0.00 N ATOM 192 CA VAL A 139 0.449 8.170 -5.936 1.00 0.00 C ATOM 193 C VAL A 139 -0.545 8.262 -7.092 1.00 0.00 C ATOM 194 O VAL A 139 -0.274 7.783 -8.193 1.00 0.00 O ATOM 195 CB VAL A 139 0.992 9.579 -5.627 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.061 10.426 -4.929 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.257 9.495 -4.784 1.00 0.00 C ATOM 0 H VAL A 139 2.392 7.696 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.059 7.781 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 139 1.241 10.060 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.347 11.415 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.936 10.521 -5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.349 9.949 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.624 10.500 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 139 2.035 8.989 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 139 3.019 8.935 -5.326 1.00 0.00 H new ATOM 207 N VAL A 140 -1.697 8.876 -6.835 1.00 0.00 N ATOM 208 CA VAL A 140 -2.728 9.022 -7.856 1.00 0.00 C ATOM 209 C VAL A 140 -2.414 10.176 -8.811 1.00 0.00 C ATOM 210 O VAL A 140 -2.151 9.953 -9.993 1.00 0.00 O ATOM 211 CB VAL A 140 -4.135 9.221 -7.228 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.096 10.194 -6.054 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.139 9.683 -8.278 1.00 0.00 C ATOM 0 H VAL A 140 -1.939 9.279 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.736 8.093 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.459 8.254 -6.843 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.099 10.307 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.428 9.808 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -3.733 11.163 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.116 9.815 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.809 10.630 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.211 8.935 -9.067 1.00 0.00 H new ATOM 223 N SER A 141 -2.443 11.406 -8.305 1.00 0.00 N ATOM 224 CA SER A 141 -2.161 12.574 -9.130 1.00 0.00 C ATOM 225 C SER A 141 -1.785 13.777 -8.269 1.00 0.00 C ATOM 226 O SER A 141 -1.475 13.635 -7.085 1.00 0.00 O ATOM 227 CB SER A 141 -3.375 12.910 -10.001 1.00 0.00 C ATOM 228 OG SER A 141 -2.983 13.227 -11.324 1.00 0.00 O ATOM 0 H SER A 141 -2.658 11.618 -7.331 1.00 0.00 H new ATOM 0 HA SER A 141 -1.313 12.338 -9.773 1.00 0.00 H new ATOM 0 HB2 SER A 141 -4.061 12.063 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 141 -3.915 13.751 -9.567 1.00 0.00 H new ATOM 0 HG SER A 141 -3.777 13.436 -11.859 1.00 0.00 H new ATOM 234 N GLY A 142 -1.814 14.964 -8.871 1.00 0.00 N ATOM 235 CA GLY A 142 -1.478 16.175 -8.147 1.00 0.00 C ATOM 236 C GLY A 142 0.019 16.401 -8.059 1.00 0.00 C ATOM 237 O GLY A 142 0.784 15.807 -8.818 1.00 0.00 O ATOM 0 H GLY A 142 -2.065 15.107 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -1.943 17.029 -8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -1.894 16.121 -7.141 1.00 0.00 H new ATOM 241 N PRO A 143 0.472 17.263 -7.132 1.00 0.00 N ATOM 242 CA PRO A 143 1.900 17.554 -6.958 1.00 0.00 C ATOM 243 C PRO A 143 2.690 16.320 -6.533 1.00 0.00 C ATOM 244 O PRO A 143 3.913 16.282 -6.666 1.00 0.00 O ATOM 245 CB PRO A 143 1.922 18.615 -5.851 1.00 0.00 C ATOM 246 CG PRO A 143 0.621 18.462 -5.141 1.00 0.00 C ATOM 247 CD PRO A 143 -0.365 18.014 -6.183 1.00 0.00 C ATOM 0 HA PRO A 143 2.364 17.886 -7.887 1.00 0.00 H new ATOM 0 HB2 PRO A 143 2.762 18.460 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 143 2.029 19.617 -6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 143 0.699 17.731 -4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 143 0.310 19.403 -4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.149 17.389 -5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.858 18.860 -6.662 1.00 0.00 H new ATOM 255 N PHE A 144 1.985 15.315 -6.024 1.00 0.00 N ATOM 256 CA PHE A 144 2.623 14.081 -5.584 1.00 0.00 C ATOM 257 C PHE A 144 2.438 12.975 -6.614 1.00 0.00 C ATOM 258 O PHE A 144 2.396 11.798 -6.264 1.00 0.00 O ATOM 259 CB PHE A 144 2.046 13.620 -4.241 1.00 0.00 C ATOM 260 CG PHE A 144 1.674 14.741 -3.315 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.646 15.419 -2.597 1.00 0.00 C ATOM 262 CD2 PHE A 144 0.348 15.113 -3.158 1.00 0.00 C ATOM 263 CE1 PHE A 144 2.303 16.448 -1.742 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.002 16.139 -2.305 1.00 0.00 C ATOM 265 CZ PHE A 144 0.977 16.809 -1.596 1.00 0.00 C ATOM 0 H PHE A 144 0.972 15.331 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 144 3.687 14.286 -5.468 1.00 0.00 H new ATOM 0 HB2 PHE A 144 1.163 13.010 -4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.776 12.981 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.683 15.140 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.421 14.593 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 144 3.070 16.970 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.039 16.418 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.706 17.614 -0.929 1.00 0.00 H new ATOM 275 N ALA A 145 2.323 13.350 -7.885 1.00 0.00 N ATOM 276 CA ALA A 145 2.131 12.373 -8.954 1.00 0.00 C ATOM 277 C ALA A 145 3.453 11.751 -9.400 1.00 0.00 C ATOM 278 O ALA A 145 3.642 11.451 -10.579 1.00 0.00 O ATOM 279 CB ALA A 145 1.424 13.018 -10.137 1.00 0.00 C ATOM 0 H ALA A 145 2.359 14.320 -8.200 1.00 0.00 H new ATOM 0 HA ALA A 145 1.508 11.571 -8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.287 12.279 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.451 13.393 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 145 2.026 13.845 -10.514 1.00 0.00 H new ATOM 285 N ASP A 146 4.356 11.549 -8.449 1.00 0.00 N ATOM 286 CA ASP A 146 5.653 10.950 -8.737 1.00 0.00 C ATOM 287 C ASP A 146 6.286 10.410 -7.462 1.00 0.00 C ATOM 288 O ASP A 146 7.503 10.468 -7.285 1.00 0.00 O ATOM 289 CB ASP A 146 6.581 11.972 -9.396 1.00 0.00 C ATOM 290 CG ASP A 146 7.500 11.339 -10.424 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.120 10.297 -10.998 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.598 11.887 -10.653 1.00 0.00 O ATOM 0 H ASP A 146 4.213 11.792 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 146 5.501 10.121 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.982 12.746 -9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.181 12.462 -8.629 1.00 0.00 H new ATOM 297 N PHE A 147 5.450 9.887 -6.575 1.00 0.00 N ATOM 298 CA PHE A 147 5.920 9.338 -5.308 1.00 0.00 C ATOM 299 C PHE A 147 5.253 8.000 -5.015 1.00 0.00 C ATOM 300 O PHE A 147 4.377 7.556 -5.756 1.00 0.00 O ATOM 301 CB PHE A 147 5.641 10.319 -4.169 1.00 0.00 C ATOM 302 CG PHE A 147 6.276 11.665 -4.367 1.00 0.00 C ATOM 303 CD1 PHE A 147 5.715 12.589 -5.234 1.00 0.00 C ATOM 304 CD2 PHE A 147 7.436 12.005 -3.690 1.00 0.00 C ATOM 305 CE1 PHE A 147 6.298 13.828 -5.422 1.00 0.00 C ATOM 306 CE2 PHE A 147 8.025 13.241 -3.876 1.00 0.00 C ATOM 307 CZ PHE A 147 7.456 14.153 -4.742 1.00 0.00 C ATOM 0 H PHE A 147 4.440 9.831 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 147 6.995 9.179 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 147 4.563 10.446 -4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.002 9.890 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 147 4.811 12.338 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 147 7.885 11.296 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 147 5.850 14.540 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 147 8.930 13.493 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 147 7.915 15.119 -4.888 1.00 0.00 H new ATOM 317 N THR A 148 5.672 7.365 -3.928 1.00 0.00 N ATOM 318 CA THR A 148 5.115 6.077 -3.534 1.00 0.00 C ATOM 319 C THR A 148 4.478 6.164 -2.151 1.00 0.00 C ATOM 320 O THR A 148 4.502 7.213 -1.509 1.00 0.00 O ATOM 321 CB THR A 148 6.199 4.998 -3.546 1.00 0.00 C ATOM 322 OG1 THR A 148 7.322 5.424 -4.298 1.00 0.00 O ATOM 323 CG2 THR A 148 5.729 3.682 -4.130 1.00 0.00 C ATOM 0 H THR A 148 6.396 7.721 -3.303 1.00 0.00 H new ATOM 0 HA THR A 148 4.343 5.807 -4.255 1.00 0.00 H new ATOM 0 HB THR A 148 6.460 4.840 -2.500 1.00 0.00 H new ATOM 0 HG1 THR A 148 8.005 4.721 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.547 2.962 -4.108 1.00 0.00 H new ATOM 0 HG22 THR A 148 4.894 3.301 -3.542 1.00 0.00 H new ATOM 0 HG23 THR A 148 5.408 3.835 -5.160 1.00 0.00 H new ATOM 331 N GLY A 149 3.910 5.052 -1.696 1.00 0.00 N ATOM 332 CA GLY A 149 3.276 5.024 -0.391 1.00 0.00 C ATOM 333 C GLY A 149 3.402 3.675 0.288 1.00 0.00 C ATOM 334 O GLY A 149 2.867 2.677 -0.196 1.00 0.00 O ATOM 0 H GLY A 149 3.877 4.170 -2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 149 3.724 5.789 0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.221 5.276 -0.498 1.00 0.00 H new ATOM 338 N THR A 150 4.111 3.644 1.412 1.00 0.00 N ATOM 339 CA THR A 150 4.306 2.407 2.160 1.00 0.00 C ATOM 340 C THR A 150 3.101 2.116 3.048 1.00 0.00 C ATOM 341 O THR A 150 2.833 2.844 4.004 1.00 0.00 O ATOM 342 CB THR A 150 5.573 2.496 3.012 1.00 0.00 C ATOM 343 OG1 THR A 150 6.556 3.286 2.368 1.00 0.00 O ATOM 344 CG2 THR A 150 6.189 1.146 3.309 1.00 0.00 C ATOM 0 H THR A 150 4.560 4.461 1.825 1.00 0.00 H new ATOM 0 HA THR A 150 4.415 1.591 1.445 1.00 0.00 H new ATOM 0 HB THR A 150 5.258 2.948 3.952 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.438 3.082 2.745 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.084 1.280 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.471 0.530 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.456 0.654 2.374 1.00 0.00 H new ATOM 352 N VAL A 151 2.379 1.048 2.726 1.00 0.00 N ATOM 353 CA VAL A 151 1.202 0.662 3.494 1.00 0.00 C ATOM 354 C VAL A 151 1.588 0.181 4.890 1.00 0.00 C ATOM 355 O VAL A 151 2.383 -0.746 5.041 1.00 0.00 O ATOM 356 CB VAL A 151 0.407 -0.451 2.783 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.898 -0.729 3.515 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.143 -0.079 1.332 1.00 0.00 C ATOM 0 H VAL A 151 2.589 0.435 1.938 1.00 0.00 H new ATOM 0 HA VAL A 151 0.576 1.550 3.578 1.00 0.00 H new ATOM 0 HB VAL A 151 1.006 -1.362 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.445 -1.517 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.682 -1.046 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.503 0.177 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.419 -0.878 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.433 0.846 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.092 0.062 0.814 1.00 0.00 H new ATOM 368 N THR A 152 1.019 0.820 5.907 1.00 0.00 N ATOM 369 CA THR A 152 1.302 0.459 7.291 1.00 0.00 C ATOM 370 C THR A 152 0.132 -0.303 7.903 1.00 0.00 C ATOM 371 O THR A 152 0.277 -1.452 8.322 1.00 0.00 O ATOM 372 CB THR A 152 1.596 1.712 8.118 1.00 0.00 C ATOM 373 OG1 THR A 152 0.871 2.822 7.620 1.00 0.00 O ATOM 374 CG2 THR A 152 3.061 2.089 8.136 1.00 0.00 C ATOM 0 H THR A 152 0.359 1.590 5.799 1.00 0.00 H new ATOM 0 HA THR A 152 2.180 -0.187 7.299 1.00 0.00 H new ATOM 0 HB THR A 152 1.291 1.465 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.071 3.613 8.163 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.199 2.986 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 152 3.642 1.271 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.400 2.282 7.118 1.00 0.00 H new ATOM 382 N GLU A 153 -1.028 0.343 7.950 1.00 0.00 N ATOM 383 CA GLU A 153 -2.225 -0.273 8.511 1.00 0.00 C ATOM 384 C GLU A 153 -3.348 -0.320 7.479 1.00 0.00 C ATOM 385 O GLU A 153 -3.282 0.346 6.444 1.00 0.00 O ATOM 386 CB GLU A 153 -2.687 0.497 9.751 1.00 0.00 C ATOM 387 CG GLU A 153 -2.357 -0.203 11.059 1.00 0.00 C ATOM 388 CD GLU A 153 -1.099 0.337 11.710 1.00 0.00 C ATOM 389 OE1 GLU A 153 -0.003 0.122 11.150 1.00 0.00 O ATOM 390 OE2 GLU A 153 -1.210 0.975 12.777 1.00 0.00 O ATOM 0 H GLU A 153 -1.165 1.294 7.606 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.977 -1.295 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -2.224 1.484 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -3.765 0.651 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -3.194 -0.091 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -2.236 -1.271 10.875 1.00 0.00 H new ATOM 397 N ILE A 154 -4.377 -1.109 7.768 1.00 0.00 N ATOM 398 CA ILE A 154 -5.515 -1.243 6.867 1.00 0.00 C ATOM 399 C ILE A 154 -6.831 -1.068 7.617 1.00 0.00 C ATOM 400 O ILE A 154 -6.892 -1.249 8.833 1.00 0.00 O ATOM 401 CB ILE A 154 -5.521 -2.611 6.159 1.00 0.00 C ATOM 402 CG1 ILE A 154 -5.336 -3.744 7.175 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.441 -2.661 5.087 1.00 0.00 C ATOM 404 CD1 ILE A 154 -3.916 -3.887 7.687 1.00 0.00 C ATOM 0 H ILE A 154 -4.446 -1.666 8.620 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.416 -0.458 6.118 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.488 -2.746 5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.001 -3.571 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.642 -4.684 6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.460 -3.634 4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.624 -1.880 4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.465 -2.505 5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -3.868 -4.709 8.401 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -3.247 -4.092 6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -3.611 -2.962 8.177 1.00 0.00 H new ATOM 416 N ASN A 155 -7.881 -0.713 6.886 1.00 0.00 N ATOM 417 CA ASN A 155 -9.197 -0.512 7.484 1.00 0.00 C ATOM 418 C ASN A 155 -10.232 -1.437 6.847 1.00 0.00 C ATOM 419 O ASN A 155 -10.884 -1.071 5.869 1.00 0.00 O ATOM 420 CB ASN A 155 -9.635 0.945 7.324 1.00 0.00 C ATOM 421 CG ASN A 155 -9.208 1.808 8.495 1.00 0.00 C ATOM 422 OD1 ASN A 155 -8.472 1.362 9.376 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.669 3.053 8.511 1.00 0.00 N ATOM 0 H ASN A 155 -7.848 -0.558 5.878 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.126 -0.750 8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.212 1.350 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.719 0.987 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.416 3.681 9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -10.277 3.382 7.760 1.00 0.00 H new ATOM 430 N PRO A 156 -10.397 -2.653 7.397 1.00 0.00 N ATOM 431 CA PRO A 156 -11.359 -3.631 6.876 1.00 0.00 C ATOM 432 C PRO A 156 -12.800 -3.254 7.200 1.00 0.00 C ATOM 433 O PRO A 156 -13.712 -3.509 6.412 1.00 0.00 O ATOM 434 CB PRO A 156 -10.970 -4.923 7.593 1.00 0.00 C ATOM 435 CG PRO A 156 -10.353 -4.471 8.872 1.00 0.00 C ATOM 436 CD PRO A 156 -9.658 -3.172 8.564 1.00 0.00 C ATOM 0 HA PRO A 156 -11.322 -3.703 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.840 -5.554 7.774 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.269 -5.510 7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.111 -4.334 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.647 -5.212 9.247 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.704 -2.483 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.603 -3.326 8.335 1.00 0.00 H new ATOM 444 N GLU A 157 -13.002 -2.646 8.367 1.00 0.00 N ATOM 445 CA GLU A 157 -14.335 -2.235 8.797 1.00 0.00 C ATOM 446 C GLU A 157 -14.653 -0.811 8.342 1.00 0.00 C ATOM 447 O GLU A 157 -15.440 -0.112 8.979 1.00 0.00 O ATOM 448 CB GLU A 157 -14.452 -2.333 10.319 1.00 0.00 C ATOM 449 CG GLU A 157 -13.399 -1.527 11.063 1.00 0.00 C ATOM 450 CD GLU A 157 -12.497 -2.394 11.919 1.00 0.00 C ATOM 451 OE1 GLU A 157 -13.023 -3.127 12.784 1.00 0.00 O ATOM 452 OE2 GLU A 157 -11.264 -2.340 11.727 1.00 0.00 O ATOM 0 H GLU A 157 -12.259 -2.427 9.031 1.00 0.00 H new ATOM 0 HA GLU A 157 -15.057 -2.908 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -15.441 -1.990 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -14.373 -3.379 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -12.792 -0.978 10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.892 -0.788 11.694 1.00 0.00 H new ATOM 459 N ARG A 158 -14.042 -0.389 7.239 1.00 0.00 N ATOM 460 CA ARG A 158 -14.267 0.951 6.709 1.00 0.00 C ATOM 461 C ARG A 158 -13.870 1.025 5.238 1.00 0.00 C ATOM 462 O ARG A 158 -14.637 1.500 4.400 1.00 0.00 O ATOM 463 CB ARG A 158 -13.473 1.983 7.514 1.00 0.00 C ATOM 464 CG ARG A 158 -14.281 2.647 8.618 1.00 0.00 C ATOM 465 CD ARG A 158 -13.578 3.882 9.158 1.00 0.00 C ATOM 466 NE ARG A 158 -13.135 3.701 10.539 1.00 0.00 N ATOM 467 CZ ARG A 158 -12.184 4.435 11.115 1.00 0.00 C ATOM 468 NH1 ARG A 158 -11.577 5.400 10.437 1.00 0.00 N ATOM 469 NH2 ARG A 158 -11.842 4.202 12.375 1.00 0.00 N ATOM 0 H ARG A 158 -13.389 -0.954 6.696 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.330 1.174 6.795 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -12.603 1.496 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.100 2.751 6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -15.263 2.925 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -14.444 1.937 9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -12.718 4.114 8.529 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -14.253 4.736 9.103 1.00 0.00 H new ATOM 0 HE ARG A 158 -13.580 2.970 11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -11.837 5.584 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -10.850 5.958 10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -12.307 3.462 12.901 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -11.114 4.763 12.818 1.00 0.00 H new ATOM 483 N GLY A 159 -12.666 0.554 4.931 1.00 0.00 N ATOM 484 CA GLY A 159 -12.186 0.577 3.562 1.00 0.00 C ATOM 485 C GLY A 159 -11.182 1.686 3.319 1.00 0.00 C ATOM 486 O GLY A 159 -11.435 2.600 2.534 1.00 0.00 O ATOM 0 H GLY A 159 -12.014 0.156 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.727 -0.383 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.032 0.702 2.886 1.00 0.00 H new ATOM 490 N LYS A 160 -10.042 1.609 3.998 1.00 0.00 N ATOM 491 CA LYS A 160 -8.997 2.617 3.853 1.00 0.00 C ATOM 492 C LYS A 160 -7.612 1.992 3.983 1.00 0.00 C ATOM 493 O LYS A 160 -7.471 0.858 4.439 1.00 0.00 O ATOM 494 CB LYS A 160 -9.172 3.716 4.902 1.00 0.00 C ATOM 495 CG LYS A 160 -10.223 4.752 4.531 1.00 0.00 C ATOM 496 CD LYS A 160 -9.862 6.130 5.065 1.00 0.00 C ATOM 497 CE LYS A 160 -10.955 6.682 5.969 1.00 0.00 C ATOM 498 NZ LYS A 160 -11.116 8.153 5.809 1.00 0.00 N ATOM 0 H LYS A 160 -9.818 0.860 4.653 1.00 0.00 H new ATOM 0 HA LYS A 160 -9.086 3.054 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.445 3.259 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.216 4.218 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -10.325 4.796 3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -11.191 4.448 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -8.925 6.073 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -9.698 6.813 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -11.899 6.186 5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -10.717 6.454 7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -11.523 8.554 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -10.188 8.586 5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -11.750 8.348 5.008 1.00 0.00 H new ATOM 512 N VAL A 161 -6.591 2.744 3.585 1.00 0.00 N ATOM 513 CA VAL A 161 -5.214 2.270 3.659 1.00 0.00 C ATOM 514 C VAL A 161 -4.250 3.431 3.869 1.00 0.00 C ATOM 515 O VAL A 161 -4.189 4.356 3.060 1.00 0.00 O ATOM 516 CB VAL A 161 -4.812 1.505 2.384 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.412 0.108 2.387 1.00 0.00 C ATOM 518 CG2 VAL A 161 -5.237 2.273 1.139 1.00 0.00 C ATOM 0 H VAL A 161 -6.692 3.686 3.207 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.156 1.592 4.510 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.726 1.410 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -5.117 -0.417 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -5.051 -0.441 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.499 0.179 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.944 1.715 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -6.319 2.404 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.753 3.250 1.131 1.00 0.00 H new ATOM 528 N LYS A 162 -3.497 3.379 4.964 1.00 0.00 N ATOM 529 CA LYS A 162 -2.538 4.430 5.282 1.00 0.00 C ATOM 530 C LYS A 162 -1.194 4.168 4.611 1.00 0.00 C ATOM 531 O LYS A 162 -0.656 3.063 4.685 1.00 0.00 O ATOM 532 CB LYS A 162 -2.352 4.536 6.798 1.00 0.00 C ATOM 533 CG LYS A 162 -1.388 5.632 7.219 1.00 0.00 C ATOM 534 CD LYS A 162 -0.940 5.457 8.660 1.00 0.00 C ATOM 535 CE LYS A 162 -1.915 6.104 9.630 1.00 0.00 C ATOM 536 NZ LYS A 162 -3.295 5.567 9.470 1.00 0.00 N ATOM 0 H LYS A 162 -3.533 2.620 5.645 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.933 5.372 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.321 4.718 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.991 3.581 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.518 5.624 6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.867 6.604 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -0.850 4.395 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 162 0.049 5.896 8.790 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -1.576 5.936 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -1.924 7.182 9.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 -3.834 5.729 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 -3.766 6.050 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 -3.250 4.546 9.275 1.00 0.00 H new ATOM 550 N VAL A 163 -0.657 5.195 3.959 1.00 0.00 N ATOM 551 CA VAL A 163 0.625 5.081 3.275 1.00 0.00 C ATOM 552 C VAL A 163 1.548 6.238 3.644 1.00 0.00 C ATOM 553 O VAL A 163 1.089 7.293 4.080 1.00 0.00 O ATOM 554 CB VAL A 163 0.447 5.049 1.745 1.00 0.00 C ATOM 555 CG1 VAL A 163 -0.328 3.811 1.321 1.00 0.00 C ATOM 556 CG2 VAL A 163 -0.247 6.314 1.261 1.00 0.00 C ATOM 0 H VAL A 163 -1.091 6.116 3.890 1.00 0.00 H new ATOM 0 HA VAL A 163 1.074 4.142 3.599 1.00 0.00 H new ATOM 0 HB VAL A 163 1.434 5.005 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -0.443 3.807 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.215 2.918 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.312 3.819 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 163 -0.364 6.273 0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -1.228 6.393 1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.353 7.183 1.529 1.00 0.00 H new ATOM 566 N MET A 164 2.850 6.033 3.468 1.00 0.00 N ATOM 567 CA MET A 164 3.833 7.063 3.786 1.00 0.00 C ATOM 568 C MET A 164 4.577 7.517 2.531 1.00 0.00 C ATOM 569 O MET A 164 5.136 6.699 1.801 1.00 0.00 O ATOM 570 CB MET A 164 4.828 6.544 4.830 1.00 0.00 C ATOM 571 CG MET A 164 5.863 5.580 4.269 1.00 0.00 C ATOM 572 SD MET A 164 6.687 4.621 5.555 1.00 0.00 S ATOM 573 CE MET A 164 8.402 4.824 5.082 1.00 0.00 C ATOM 0 H MET A 164 3.248 5.166 3.108 1.00 0.00 H new ATOM 0 HA MET A 164 3.302 7.921 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 164 5.343 7.393 5.280 1.00 0.00 H new ATOM 0 HB3 MET A 164 4.276 6.046 5.627 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.379 4.900 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 164 6.608 6.141 3.705 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.039 4.286 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.552 4.426 4.078 1.00 0.00 H new ATOM 0 HE3 MET A 164 8.660 5.883 5.095 1.00 0.00 H new ATOM 583 N VAL A 165 4.582 8.824 2.291 1.00 0.00 N ATOM 584 CA VAL A 165 5.262 9.384 1.129 1.00 0.00 C ATOM 585 C VAL A 165 6.539 10.104 1.543 1.00 0.00 C ATOM 586 O VAL A 165 6.657 10.578 2.673 1.00 0.00 O ATOM 587 CB VAL A 165 4.362 10.369 0.353 1.00 0.00 C ATOM 588 CG1 VAL A 165 4.867 10.544 -1.069 1.00 0.00 C ATOM 589 CG2 VAL A 165 2.915 9.898 0.357 1.00 0.00 C ATOM 0 H VAL A 165 4.123 9.515 2.885 1.00 0.00 H new ATOM 0 HA VAL A 165 5.506 8.546 0.476 1.00 0.00 H new ATOM 0 HB VAL A 165 4.403 11.336 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 165 4.221 11.242 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 165 5.884 10.935 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 165 4.859 9.581 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.300 10.608 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 165 2.850 8.917 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 165 2.557 9.831 1.384 1.00 0.00 H new ATOM 599 N THR A 166 7.496 10.184 0.624 1.00 0.00 N ATOM 600 CA THR A 166 8.765 10.846 0.899 1.00 0.00 C ATOM 601 C THR A 166 9.026 11.966 -0.100 1.00 0.00 C ATOM 602 O THR A 166 9.410 11.716 -1.243 1.00 0.00 O ATOM 603 CB THR A 166 9.911 9.834 0.856 1.00 0.00 C ATOM 604 OG1 THR A 166 9.708 8.888 -0.178 1.00 0.00 O ATOM 605 CG2 THR A 166 10.083 9.069 2.150 1.00 0.00 C ATOM 0 H THR A 166 7.416 9.799 -0.317 1.00 0.00 H new ATOM 0 HA THR A 166 8.708 11.281 1.897 1.00 0.00 H new ATOM 0 HB THR A 166 10.810 10.425 0.679 1.00 0.00 H new ATOM 0 HG1 THR A 166 9.481 9.355 -1.009 1.00 0.00 H new ATOM 0 HG21 THR A 166 10.912 8.369 2.051 1.00 0.00 H new ATOM 0 HG22 THR A 166 10.292 9.767 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 166 9.168 8.519 2.372 1.00 0.00 H new ATOM 613 N ILE A 167 8.822 13.204 0.339 1.00 0.00 N ATOM 614 CA ILE A 167 9.042 14.362 -0.517 1.00 0.00 C ATOM 615 C ILE A 167 10.528 14.706 -0.585 1.00 0.00 C ATOM 616 O ILE A 167 10.960 15.744 -0.083 1.00 0.00 O ATOM 617 CB ILE A 167 8.252 15.592 -0.017 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.769 15.249 0.130 1.00 0.00 C ATOM 619 CG2 ILE A 167 8.436 16.766 -0.966 1.00 0.00 C ATOM 620 CD1 ILE A 167 6.149 14.681 -1.128 1.00 0.00 C ATOM 0 H ILE A 167 8.505 13.430 1.282 1.00 0.00 H new ATOM 0 HA ILE A 167 8.685 14.102 -1.513 1.00 0.00 H new ATOM 0 HB ILE A 167 8.640 15.877 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 167 6.650 14.529 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.224 16.148 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 167 7.872 17.623 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 167 9.493 17.025 -1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 167 8.074 16.493 -1.957 1.00 0.00 H new ATOM 0 HD11 ILE A 167 5.097 14.462 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.235 15.407 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 167 6.668 13.764 -1.407 1.00 0.00 H new ATOM 632 N PHE A 168 11.303 13.818 -1.206 1.00 0.00 N ATOM 633 CA PHE A 168 12.749 14.005 -1.344 1.00 0.00 C ATOM 634 C PHE A 168 13.373 14.502 -0.043 1.00 0.00 C ATOM 635 O PHE A 168 13.650 15.691 0.110 1.00 0.00 O ATOM 636 CB PHE A 168 13.074 14.977 -2.488 1.00 0.00 C ATOM 637 CG PHE A 168 12.037 16.043 -2.709 1.00 0.00 C ATOM 638 CD1 PHE A 168 12.119 17.257 -2.047 1.00 0.00 C ATOM 639 CD2 PHE A 168 10.983 15.830 -3.583 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.169 18.239 -2.251 1.00 0.00 C ATOM 641 CE2 PHE A 168 10.029 16.807 -3.791 1.00 0.00 C ATOM 642 CZ PHE A 168 10.123 18.014 -3.124 1.00 0.00 C ATOM 0 H PHE A 168 10.952 12.956 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 168 13.179 13.032 -1.581 1.00 0.00 H new ATOM 0 HB2 PHE A 168 14.031 15.455 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 168 13.195 14.407 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 168 12.935 17.438 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 168 10.907 14.889 -4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 168 11.244 19.181 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 168 9.211 16.628 -4.473 1.00 0.00 H new ATOM 0 HZ PHE A 168 9.379 18.780 -3.285 1.00 0.00 H new ATOM 652 N GLY A 169 13.591 13.580 0.891 1.00 0.00 N ATOM 653 CA GLY A 169 14.181 13.940 2.166 1.00 0.00 C ATOM 654 C GLY A 169 13.161 14.473 3.152 1.00 0.00 C ATOM 655 O GLY A 169 13.466 15.358 3.952 1.00 0.00 O ATOM 0 H GLY A 169 13.369 12.590 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 169 14.672 13.066 2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.953 14.693 2.005 1.00 0.00 H new ATOM 659 N ARG A 170 11.946 13.936 3.096 1.00 0.00 N ATOM 660 CA ARG A 170 10.881 14.366 3.994 1.00 0.00 C ATOM 661 C ARG A 170 9.778 13.314 4.081 1.00 0.00 C ATOM 662 O ARG A 170 9.024 13.112 3.130 1.00 0.00 O ATOM 663 CB ARG A 170 10.294 15.698 3.519 1.00 0.00 C ATOM 664 CG ARG A 170 11.113 16.907 3.938 1.00 0.00 C ATOM 665 CD ARG A 170 10.241 18.138 4.129 1.00 0.00 C ATOM 666 NE ARG A 170 10.122 18.513 5.538 1.00 0.00 N ATOM 667 CZ ARG A 170 9.119 18.132 6.330 1.00 0.00 C ATOM 668 NH1 ARG A 170 8.143 17.364 5.863 1.00 0.00 N ATOM 669 NH2 ARG A 170 9.095 18.524 7.597 1.00 0.00 N ATOM 0 H ARG A 170 11.675 13.204 2.439 1.00 0.00 H new ATOM 0 HA ARG A 170 11.310 14.496 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 170 10.213 15.683 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 170 9.283 15.801 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 170 11.639 16.686 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 170 11.872 17.112 3.183 1.00 0.00 H new ATOM 0 HD2 ARG A 170 10.662 18.971 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.249 17.946 3.720 1.00 0.00 H new ATOM 0 HE ARG A 170 10.851 19.102 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.155 17.059 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 170 7.381 17.078 6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 170 9.842 19.115 7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 170 8.330 18.235 8.206 1.00 0.00 H new ATOM 683 N GLU A 171 9.690 12.652 5.230 1.00 0.00 N ATOM 684 CA GLU A 171 8.676 11.626 5.443 1.00 0.00 C ATOM 685 C GLU A 171 7.403 12.237 6.020 1.00 0.00 C ATOM 686 O GLU A 171 7.456 13.047 6.944 1.00 0.00 O ATOM 687 CB GLU A 171 9.208 10.539 6.382 1.00 0.00 C ATOM 688 CG GLU A 171 9.811 9.349 5.653 1.00 0.00 C ATOM 689 CD GLU A 171 10.315 8.280 6.602 1.00 0.00 C ATOM 690 OE1 GLU A 171 9.477 7.576 7.204 1.00 0.00 O ATOM 691 OE2 GLU A 171 11.550 8.146 6.744 1.00 0.00 O ATOM 0 H GLU A 171 10.308 12.807 6.027 1.00 0.00 H new ATOM 0 HA GLU A 171 8.439 11.176 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 171 9.963 10.974 7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.395 10.191 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.062 8.917 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.634 9.691 5.026 1.00 0.00 H new ATOM 698 N THR A 172 6.259 11.848 5.466 1.00 0.00 N ATOM 699 CA THR A 172 4.974 12.364 5.925 1.00 0.00 C ATOM 700 C THR A 172 3.887 11.294 5.835 1.00 0.00 C ATOM 701 O THR A 172 3.410 10.976 4.746 1.00 0.00 O ATOM 702 CB THR A 172 4.571 13.586 5.097 1.00 0.00 C ATOM 703 OG1 THR A 172 5.155 13.533 3.808 1.00 0.00 O ATOM 704 CG2 THR A 172 4.977 14.899 5.730 1.00 0.00 C ATOM 0 H THR A 172 6.195 11.178 4.700 1.00 0.00 H new ATOM 0 HA THR A 172 5.081 12.656 6.970 1.00 0.00 H new ATOM 0 HB THR A 172 3.483 13.549 5.040 1.00 0.00 H new ATOM 0 HG1 THR A 172 4.884 14.322 3.293 1.00 0.00 H new ATOM 0 HG21 THR A 172 4.661 15.724 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 172 4.503 14.994 6.707 1.00 0.00 H new ATOM 0 HG23 THR A 172 6.060 14.926 5.849 1.00 0.00 H new ATOM 712 N PRO A 173 3.472 10.723 6.983 1.00 0.00 N ATOM 713 CA PRO A 173 2.432 9.689 7.017 1.00 0.00 C ATOM 714 C PRO A 173 1.052 10.253 6.692 1.00 0.00 C ATOM 715 O PRO A 173 0.480 11.008 7.477 1.00 0.00 O ATOM 716 CB PRO A 173 2.479 9.186 8.459 1.00 0.00 C ATOM 717 CG PRO A 173 3.018 10.331 9.244 1.00 0.00 C ATOM 718 CD PRO A 173 3.980 11.041 8.332 1.00 0.00 C ATOM 0 HA PRO A 173 2.604 8.908 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.488 8.898 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 173 3.118 8.308 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 173 2.217 10.998 9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 173 3.520 9.983 10.147 1.00 0.00 H new ATOM 0 HD2 PRO A 173 3.988 12.115 8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 173 5.001 10.686 8.471 1.00 0.00 H new ATOM 726 N VAL A 174 0.525 9.883 5.531 1.00 0.00 N ATOM 727 CA VAL A 174 -0.787 10.354 5.101 1.00 0.00 C ATOM 728 C VAL A 174 -1.703 9.188 4.741 1.00 0.00 C ATOM 729 O VAL A 174 -1.247 8.162 4.235 1.00 0.00 O ATOM 730 CB VAL A 174 -0.671 11.303 3.891 1.00 0.00 C ATOM 731 CG1 VAL A 174 -0.023 10.592 2.712 1.00 0.00 C ATOM 732 CG2 VAL A 174 -2.036 11.854 3.505 1.00 0.00 C ATOM 0 H VAL A 174 0.986 9.258 4.870 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.220 10.899 5.940 1.00 0.00 H new ATOM 0 HB VAL A 174 -0.035 12.142 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 174 0.050 11.278 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 174 0.975 10.256 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -0.629 9.731 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -1.930 12.521 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -2.700 11.030 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -2.457 12.406 4.346 1.00 0.00 H new ATOM 742 N GLU A 175 -2.996 9.353 5.002 1.00 0.00 N ATOM 743 CA GLU A 175 -3.975 8.316 4.703 1.00 0.00 C ATOM 744 C GLU A 175 -4.345 8.335 3.223 1.00 0.00 C ATOM 745 O GLU A 175 -4.181 9.349 2.546 1.00 0.00 O ATOM 746 CB GLU A 175 -5.230 8.506 5.556 1.00 0.00 C ATOM 747 CG GLU A 175 -5.949 9.819 5.295 1.00 0.00 C ATOM 748 CD GLU A 175 -7.393 9.794 5.757 1.00 0.00 C ATOM 749 OE1 GLU A 175 -8.134 8.881 5.336 1.00 0.00 O ATOM 750 OE2 GLU A 175 -7.783 10.688 6.537 1.00 0.00 O ATOM 0 H GLU A 175 -3.389 10.196 5.420 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.529 7.350 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.917 7.681 5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -4.955 8.455 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -5.422 10.625 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -5.916 10.041 4.228 1.00 0.00 H new ATOM 757 N LEU A 176 -4.841 7.207 2.726 1.00 0.00 N ATOM 758 CA LEU A 176 -5.228 7.100 1.324 1.00 0.00 C ATOM 759 C LEU A 176 -6.186 5.947 1.101 1.00 0.00 C ATOM 760 O LEU A 176 -6.643 5.301 2.044 1.00 0.00 O ATOM 761 CB LEU A 176 -3.999 6.871 0.445 1.00 0.00 C ATOM 762 CG LEU A 176 -3.410 8.124 -0.206 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.309 7.749 -1.185 1.00 0.00 C ATOM 764 CD2 LEU A 176 -4.499 8.926 -0.906 1.00 0.00 C ATOM 0 H LEU A 176 -4.984 6.357 3.271 1.00 0.00 H new ATOM 0 HA LEU A 176 -5.717 8.037 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -3.225 6.399 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -4.264 6.165 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 176 -2.976 8.746 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.902 8.653 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -1.516 7.220 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.718 7.105 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -4.061 9.813 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -4.964 8.312 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -5.253 9.227 -0.179 1.00 0.00 H new ATOM 776 N ASP A 177 -6.451 5.676 -0.169 1.00 0.00 N ATOM 777 CA ASP A 177 -7.312 4.582 -0.548 1.00 0.00 C ATOM 778 C ASP A 177 -6.843 3.975 -1.863 1.00 0.00 C ATOM 779 O ASP A 177 -6.206 4.644 -2.674 1.00 0.00 O ATOM 780 CB ASP A 177 -8.770 5.037 -0.661 1.00 0.00 C ATOM 781 CG ASP A 177 -9.155 6.040 0.411 1.00 0.00 C ATOM 782 OD1 ASP A 177 -9.443 5.610 1.548 1.00 0.00 O ATOM 783 OD2 ASP A 177 -9.169 7.252 0.112 1.00 0.00 O ATOM 0 H ASP A 177 -6.075 6.207 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.257 3.823 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -8.933 5.481 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.424 4.168 -0.591 1.00 0.00 H new ATOM 788 N PHE A 178 -7.153 2.702 -2.058 1.00 0.00 N ATOM 789 CA PHE A 178 -6.760 1.985 -3.271 1.00 0.00 C ATOM 790 C PHE A 178 -7.046 2.807 -4.526 1.00 0.00 C ATOM 791 O PHE A 178 -6.317 2.720 -5.515 1.00 0.00 O ATOM 792 CB PHE A 178 -7.492 0.644 -3.353 1.00 0.00 C ATOM 793 CG PHE A 178 -7.257 -0.243 -2.163 1.00 0.00 C ATOM 794 CD1 PHE A 178 -5.970 -0.506 -1.723 1.00 0.00 C ATOM 795 CD2 PHE A 178 -8.323 -0.811 -1.485 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.750 -1.321 -0.629 1.00 0.00 C ATOM 797 CE2 PHE A 178 -8.109 -1.626 -0.390 1.00 0.00 C ATOM 798 CZ PHE A 178 -6.822 -1.883 0.038 1.00 0.00 C ATOM 0 H PHE A 178 -7.678 2.138 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.685 1.810 -3.218 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.562 0.829 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.174 0.120 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -5.129 -0.069 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -9.332 -0.615 -1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -4.742 -1.518 -0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -8.949 -2.062 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 178 -6.653 -2.522 0.892 1.00 0.00 H new ATOM 808 N SER A 179 -8.109 3.605 -4.481 1.00 0.00 N ATOM 809 CA SER A 179 -8.489 4.440 -5.619 1.00 0.00 C ATOM 810 C SER A 179 -7.674 5.733 -5.669 1.00 0.00 C ATOM 811 O SER A 179 -7.997 6.649 -6.426 1.00 0.00 O ATOM 812 CB SER A 179 -9.980 4.773 -5.556 1.00 0.00 C ATOM 813 OG SER A 179 -10.764 3.690 -6.028 1.00 0.00 O ATOM 0 H SER A 179 -8.722 3.692 -3.671 1.00 0.00 H new ATOM 0 HA SER A 179 -8.279 3.873 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.260 5.009 -4.529 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.183 5.661 -6.154 1.00 0.00 H new ATOM 0 HG SER A 179 -11.714 3.927 -5.976 1.00 0.00 H new ATOM 819 N GLN A 180 -6.618 5.809 -4.861 1.00 0.00 N ATOM 820 CA GLN A 180 -5.768 6.992 -4.821 1.00 0.00 C ATOM 821 C GLN A 180 -4.302 6.630 -5.063 1.00 0.00 C ATOM 822 O GLN A 180 -3.427 7.493 -5.010 1.00 0.00 O ATOM 823 CB GLN A 180 -5.914 7.697 -3.473 1.00 0.00 C ATOM 824 CG GLN A 180 -7.028 8.731 -3.445 1.00 0.00 C ATOM 825 CD GLN A 180 -6.538 10.125 -3.784 1.00 0.00 C ATOM 826 OE1 GLN A 180 -5.494 10.564 -3.299 1.00 0.00 O ATOM 827 NE2 GLN A 180 -7.293 10.832 -4.616 1.00 0.00 N ATOM 0 H GLN A 180 -6.333 5.064 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.088 7.664 -5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -6.102 6.951 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -4.971 8.184 -3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.805 8.441 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.485 8.741 -2.455 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.150 10.429 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -7.016 11.778 -4.877 1.00 0.00 H new ATOM 836 N VAL A 181 -4.038 5.352 -5.331 1.00 0.00 N ATOM 837 CA VAL A 181 -2.676 4.893 -5.578 1.00 0.00 C ATOM 838 C VAL A 181 -2.652 3.779 -6.620 1.00 0.00 C ATOM 839 O VAL A 181 -3.693 3.368 -7.132 1.00 0.00 O ATOM 840 CB VAL A 181 -2.011 4.388 -4.285 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.792 5.536 -3.312 1.00 0.00 C ATOM 842 CG2 VAL A 181 -2.849 3.290 -3.647 1.00 0.00 C ATOM 0 H VAL A 181 -4.747 4.621 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.116 5.749 -5.954 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.038 3.969 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.321 5.159 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.146 6.284 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.751 5.989 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.363 2.945 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.838 3.680 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.947 2.457 -4.343 1.00 0.00 H new ATOM 852 N VAL A 182 -1.454 3.293 -6.931 1.00 0.00 N ATOM 853 CA VAL A 182 -1.289 2.226 -7.911 1.00 0.00 C ATOM 854 C VAL A 182 -0.062 1.378 -7.599 1.00 0.00 C ATOM 855 O VAL A 182 0.929 1.877 -7.068 1.00 0.00 O ATOM 856 CB VAL A 182 -1.158 2.792 -9.339 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.483 3.372 -9.810 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.058 3.840 -9.397 1.00 0.00 C ATOM 0 H VAL A 182 -0.582 3.622 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.182 1.603 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.888 1.976 -10.010 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.369 3.766 -10.820 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.243 2.591 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.788 4.175 -9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.021 4.229 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.296 4.655 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.891 3.388 -9.107 1.00 0.00 H new ATOM 868 N LYS A 183 -0.134 0.094 -7.933 1.00 0.00 N ATOM 869 CA LYS A 183 0.975 -0.822 -7.689 1.00 0.00 C ATOM 870 C LYS A 183 2.201 -0.422 -8.502 1.00 0.00 C ATOM 871 O LYS A 183 2.106 -0.166 -9.702 1.00 0.00 O ATOM 872 CB LYS A 183 0.566 -2.255 -8.030 1.00 0.00 C ATOM 873 CG LYS A 183 1.449 -3.312 -7.385 1.00 0.00 C ATOM 874 CD LYS A 183 1.859 -4.384 -8.381 1.00 0.00 C ATOM 875 CE LYS A 183 3.184 -5.024 -7.998 1.00 0.00 C ATOM 876 NZ LYS A 183 3.786 -5.777 -9.133 1.00 0.00 N ATOM 0 H LYS A 183 -0.948 -0.336 -8.373 1.00 0.00 H new ATOM 0 HA LYS A 183 1.231 -0.768 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.465 -2.414 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 183 0.592 -2.383 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 183 2.340 -2.839 -6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 183 0.917 -3.773 -6.553 1.00 0.00 H new ATOM 0 HD2 LYS A 183 1.085 -5.150 -8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 183 1.940 -3.946 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 183 3.878 -4.251 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 183 3.031 -5.698 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 4.688 -6.198 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 3.135 -6.531 -9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 3.956 -5.129 -9.928 1.00 0.00 H new ATOM 890 N ALA A 184 3.353 -0.371 -7.841 1.00 0.00 N ATOM 891 CA ALA A 184 4.598 -0.004 -8.504 1.00 0.00 C ATOM 892 C ALA A 184 5.508 -1.215 -8.674 1.00 0.00 C ATOM 893 O ALA A 184 6.712 -1.017 -8.949 1.00 0.00 O ATOM 894 CB ALA A 184 5.312 1.087 -7.718 1.00 0.00 C ATOM 895 OXT ALA A 184 5.012 -2.352 -8.530 1.00 0.00 O ATOM 0 H ALA A 184 3.450 -0.579 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 184 4.354 0.376 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 184 6.240 1.352 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.671 1.966 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.536 0.725 -6.715 1.00 0.00 H new TER 901 ALA A 184