USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 139 HIS : no HD1:sc= -0.321 K(o=-3.5,f=-1.4) USER MOD Set 1.2: A 141 ASN : amide:sc= -3.14! K(o=-3.5!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.039 USER MOD Single : A 145 GLN : amide:sc= -8.73! C(o=-8.7!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.532 K(o=0.53,f=-0.7) USER MOD Single : A 149 TYR OH : rot -101:sc= 0.029 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.6! C(o=-8.6!,f=-8.8!) USER MOD Single : A 153 LYS NZ :NH3+ 162:sc= -0.0164 (180deg=-0.244) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.057) USER MOD Single : A 161 LYS NZ :NH3+ -149:sc= -0.119 (180deg=-0.812) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 156:sc= -0.104 (180deg=-0.747) USER MOD Single : A 165 SER OG : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ 166:sc=-0.000996 (180deg=-0.114) USER MOD Single : A 168 ASN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 MET CE :methyl 162:sc= -1.03 (180deg=-1.61!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -173:sc=-0.00778 (180deg=-0.0795) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 197 ASN : amide:sc= -0.0874 K(o=-0.087,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.313 -1.970 3.101 1.00 0.00 N ATOM 19 CA ALA A 134 16.444 -2.839 2.313 1.00 0.00 C ATOM 20 C ALA A 134 15.028 -2.275 2.259 1.00 0.00 C ATOM 21 O ALA A 134 14.729 -1.261 2.891 1.00 0.00 O ATOM 22 CB ALA A 134 16.415 -4.241 2.924 1.00 0.00 C ATOM 0 HA ALA A 134 16.839 -2.893 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.764 -4.883 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.423 -4.655 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.036 -4.185 3.945 1.00 0.00 H new ATOM 28 N CYS A 135 14.161 -2.939 1.504 1.00 0.00 N ATOM 29 CA CYS A 135 12.777 -2.496 1.376 1.00 0.00 C ATOM 30 C CYS A 135 12.091 -2.487 2.739 1.00 0.00 C ATOM 31 O CYS A 135 12.483 -3.225 3.643 1.00 0.00 O ATOM 32 CB CYS A 135 12.024 -3.416 0.411 1.00 0.00 C ATOM 33 SG CYS A 135 12.628 -3.128 -1.274 1.00 0.00 S ATOM 0 H CYS A 135 14.389 -3.780 0.974 1.00 0.00 H new ATOM 0 HA CYS A 135 12.769 -1.481 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.174 -4.459 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.953 -3.222 0.465 1.00 0.00 H new ATOM 38 N GLN A 136 11.071 -1.640 2.881 1.00 0.00 N ATOM 39 CA GLN A 136 10.330 -1.526 4.142 1.00 0.00 C ATOM 40 C GLN A 136 8.861 -1.853 3.920 1.00 0.00 C ATOM 41 O GLN A 136 8.356 -1.738 2.806 1.00 0.00 O ATOM 42 CB GLN A 136 10.458 -0.104 4.692 1.00 0.00 C ATOM 43 CG GLN A 136 11.911 0.159 5.097 1.00 0.00 C ATOM 44 CD GLN A 136 12.056 1.588 5.608 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.356 1.994 6.535 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.934 2.382 5.055 1.00 0.00 N ATOM 0 H GLN A 136 10.738 -1.023 2.141 1.00 0.00 H new ATOM 0 HA GLN A 136 10.748 -2.233 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.143 0.618 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.801 0.025 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.215 -0.546 5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.570 -0.000 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.514 2.045 4.287 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.040 3.339 5.392 1.00 0.00 H new ATOM 55 N PHE A 137 8.177 -2.269 4.987 1.00 0.00 N ATOM 56 CA PHE A 137 6.758 -2.619 4.900 1.00 0.00 C ATOM 57 C PHE A 137 5.903 -1.612 5.668 1.00 0.00 C ATOM 58 O PHE A 137 6.254 -1.197 6.773 1.00 0.00 O ATOM 59 CB PHE A 137 6.541 -4.031 5.466 1.00 0.00 C ATOM 60 CG PHE A 137 5.057 -4.320 5.597 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.220 -4.214 4.480 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.520 -4.688 6.840 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.854 -4.475 4.601 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.151 -4.950 6.960 1.00 0.00 C ATOM 65 CZ PHE A 137 2.316 -4.843 5.840 1.00 0.00 C ATOM 0 H PHE A 137 8.580 -2.372 5.918 1.00 0.00 H new ATOM 0 HA PHE A 137 6.456 -2.596 3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.006 -4.768 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.023 -4.119 6.439 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.632 -3.930 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.163 -4.769 7.704 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.211 -4.393 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.738 -5.235 7.916 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.259 -5.044 5.932 1.00 0.00 H new ATOM 75 N SER A 138 4.776 -1.226 5.070 1.00 0.00 N ATOM 76 CA SER A 138 3.862 -0.269 5.690 1.00 0.00 C ATOM 77 C SER A 138 2.423 -0.566 5.273 1.00 0.00 C ATOM 78 O SER A 138 2.151 -0.850 4.107 1.00 0.00 O ATOM 79 CB SER A 138 4.237 1.152 5.273 1.00 0.00 C ATOM 80 OG SER A 138 3.627 2.079 6.162 1.00 0.00 O ATOM 0 H SER A 138 4.474 -1.562 4.156 1.00 0.00 H new ATOM 0 HA SER A 138 3.942 -0.359 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.320 1.274 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.910 1.342 4.251 1.00 0.00 H new ATOM 0 HG SER A 138 3.867 2.992 5.898 1.00 0.00 H new ATOM 86 N HIS A 139 1.503 -0.503 6.238 1.00 0.00 N ATOM 87 CA HIS A 139 0.085 -0.770 5.971 1.00 0.00 C ATOM 88 C HIS A 139 -0.801 0.294 6.613 1.00 0.00 C ATOM 89 O HIS A 139 -0.378 1.005 7.524 1.00 0.00 O ATOM 90 CB HIS A 139 -0.303 -2.150 6.512 1.00 0.00 C ATOM 91 CG HIS A 139 -0.232 -2.141 8.013 1.00 0.00 C ATOM 92 ND1 HIS A 139 0.902 -2.540 8.704 1.00 0.00 N ATOM 93 CD2 HIS A 139 -1.146 -1.782 8.970 1.00 0.00 C ATOM 94 CE1 HIS A 139 0.641 -2.412 10.019 1.00 0.00 C ATOM 95 NE2 HIS A 139 -0.595 -1.953 10.237 1.00 0.00 N ATOM 0 H HIS A 139 1.712 -0.270 7.209 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.065 -0.746 4.892 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.311 -2.409 6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.367 -2.911 6.111 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.144 -1.421 8.771 1.00 0.00 H new ATOM 0 HE1 HIS A 139 1.345 -2.651 10.802 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -1.039 -1.768 11.137 1.00 0.00 H new ATOM 104 N VAL A 140 -2.035 0.397 6.122 1.00 0.00 N ATOM 105 CA VAL A 140 -2.999 1.375 6.636 1.00 0.00 C ATOM 106 C VAL A 140 -4.367 0.716 6.812 1.00 0.00 C ATOM 107 O VAL A 140 -4.993 0.306 5.838 1.00 0.00 O ATOM 108 CB VAL A 140 -3.099 2.549 5.649 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.286 3.449 6.009 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.811 3.372 5.711 1.00 0.00 C ATOM 0 H VAL A 140 -2.394 -0.186 5.366 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.665 1.744 7.606 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.244 2.153 4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.344 4.276 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.208 2.870 5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.152 3.843 7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.878 4.206 5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.673 3.756 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.963 2.742 5.443 1.00 0.00 H new ATOM 120 N ASN A 141 -4.825 0.609 8.062 1.00 0.00 N ATOM 121 CA ASN A 141 -6.121 -0.017 8.342 1.00 0.00 C ATOM 122 C ASN A 141 -6.780 0.594 9.583 1.00 0.00 C ATOM 123 O ASN A 141 -6.188 0.618 10.662 1.00 0.00 O ATOM 124 CB ASN A 141 -5.930 -1.524 8.556 1.00 0.00 C ATOM 125 CG ASN A 141 -5.264 -1.795 9.904 1.00 0.00 C ATOM 126 OD1 ASN A 141 -4.061 -2.044 9.965 1.00 0.00 O ATOM 127 ND2 ASN A 141 -5.984 -1.765 10.992 1.00 0.00 N ATOM 0 H ASN A 141 -4.326 0.943 8.887 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.773 0.160 7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.895 -2.028 8.513 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.319 -1.936 7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -5.549 -1.948 11.896 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -6.981 -1.558 10.938 1.00 0.00 H new ATOM 134 N SER A 142 -8.021 1.064 9.427 1.00 0.00 N ATOM 135 CA SER A 142 -8.772 1.646 10.544 1.00 0.00 C ATOM 136 C SER A 142 -10.229 1.198 10.485 1.00 0.00 C ATOM 137 O SER A 142 -10.619 0.436 9.599 1.00 0.00 O ATOM 138 CB SER A 142 -8.694 3.178 10.519 1.00 0.00 C ATOM 139 OG SER A 142 -8.953 3.679 11.824 1.00 0.00 O ATOM 0 H SER A 142 -8.526 1.053 8.541 1.00 0.00 H new ATOM 0 HA SER A 142 -8.325 1.295 11.474 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.708 3.499 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.419 3.580 9.811 1.00 0.00 H new ATOM 0 HG SER A 142 -8.903 4.658 11.815 1.00 0.00 H new ATOM 145 N ARG A 143 -11.029 1.667 11.436 1.00 0.00 N ATOM 146 CA ARG A 143 -12.441 1.301 11.485 1.00 0.00 C ATOM 147 C ARG A 143 -13.239 2.004 10.387 1.00 0.00 C ATOM 148 O ARG A 143 -14.152 1.419 9.804 1.00 0.00 O ATOM 149 CB ARG A 143 -13.022 1.665 12.852 1.00 0.00 C ATOM 150 CG ARG A 143 -12.034 1.271 13.953 1.00 0.00 C ATOM 151 CD ARG A 143 -11.664 -0.208 13.810 1.00 0.00 C ATOM 152 NE ARG A 143 -11.061 -0.697 15.045 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.836 -1.994 15.232 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.155 -2.854 14.304 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.295 -2.408 16.346 1.00 0.00 N ATOM 0 H ARG A 143 -10.727 2.297 12.179 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.515 0.226 11.324 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.226 2.735 12.898 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.972 1.153 13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.138 1.888 13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.476 1.452 14.933 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.554 -0.792 13.575 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.969 -0.338 12.981 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.808 -0.033 15.777 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.578 -2.532 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -10.982 -3.849 14.449 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.045 -1.737 17.072 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.122 -3.403 16.490 1.00 0.00 H new ATOM 169 N ASP A 144 -12.909 3.269 10.125 1.00 0.00 N ATOM 170 CA ASP A 144 -13.621 4.050 9.108 1.00 0.00 C ATOM 171 C ASP A 144 -12.921 3.986 7.752 1.00 0.00 C ATOM 172 O ASP A 144 -13.544 4.209 6.715 1.00 0.00 O ATOM 173 CB ASP A 144 -13.716 5.508 9.556 1.00 0.00 C ATOM 174 CG ASP A 144 -14.576 6.299 8.577 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.596 5.777 8.157 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.203 7.417 8.260 1.00 0.00 O ATOM 0 H ASP A 144 -12.159 3.774 10.598 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.617 3.621 8.996 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.145 5.562 10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.719 5.945 9.613 1.00 0.00 H new ATOM 181 N GLN A 145 -11.626 3.690 7.762 1.00 0.00 N ATOM 182 CA GLN A 145 -10.861 3.614 6.522 1.00 0.00 C ATOM 183 C GLN A 145 -11.449 2.557 5.582 1.00 0.00 C ATOM 184 O GLN A 145 -10.904 1.465 5.447 1.00 0.00 O ATOM 185 CB GLN A 145 -9.393 3.281 6.849 1.00 0.00 C ATOM 186 CG GLN A 145 -8.605 4.570 7.136 1.00 0.00 C ATOM 187 CD GLN A 145 -7.128 4.249 7.323 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.265 4.966 6.816 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.785 3.209 8.026 1.00 0.00 N ATOM 0 H GLN A 145 -11.087 3.500 8.607 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.912 4.578 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.347 2.618 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.939 2.747 6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.731 5.273 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.996 5.053 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.503 2.617 8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.799 2.986 8.158 1.00 0.00 H new ATOM 198 N CYS A 146 -12.560 2.906 4.928 1.00 0.00 N ATOM 199 CA CYS A 146 -13.241 2.001 3.989 1.00 0.00 C ATOM 200 C CYS A 146 -13.263 2.623 2.587 1.00 0.00 C ATOM 201 O CYS A 146 -14.042 3.539 2.318 1.00 0.00 O ATOM 202 CB CYS A 146 -14.672 1.758 4.494 1.00 0.00 C ATOM 203 SG CYS A 146 -15.535 0.583 3.422 1.00 0.00 S ATOM 0 H CYS A 146 -13.012 3.815 5.031 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.710 1.051 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.643 1.375 5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.218 2.701 4.523 1.00 0.00 H new ATOM 208 N ASN A 147 -12.387 2.130 1.698 1.00 0.00 N ATOM 209 CA ASN A 147 -12.291 2.655 0.324 1.00 0.00 C ATOM 210 C ASN A 147 -12.204 1.521 -0.706 1.00 0.00 C ATOM 211 O ASN A 147 -11.967 0.366 -0.354 1.00 0.00 O ATOM 212 CB ASN A 147 -11.051 3.544 0.198 1.00 0.00 C ATOM 213 CG ASN A 147 -10.942 4.464 1.409 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.406 5.604 1.367 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.356 4.034 2.493 1.00 0.00 N ATOM 0 H ASN A 147 -11.737 1.372 1.903 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.193 3.234 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.157 2.926 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.110 4.137 -0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.281 4.643 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.973 3.089 2.525 1.00 0.00 H new ATOM 222 N ASP A 148 -12.406 1.868 -1.983 1.00 0.00 N ATOM 223 CA ASP A 148 -12.358 0.881 -3.066 1.00 0.00 C ATOM 224 C ASP A 148 -10.925 0.476 -3.401 1.00 0.00 C ATOM 225 O ASP A 148 -9.970 1.181 -3.077 1.00 0.00 O ATOM 226 CB ASP A 148 -13.044 1.440 -4.317 1.00 0.00 C ATOM 227 CG ASP A 148 -12.563 2.858 -4.597 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.177 3.781 -4.087 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.591 2.999 -5.320 1.00 0.00 O ATOM 0 H ASP A 148 -12.603 2.821 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.886 -0.009 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.830 0.801 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.125 1.436 -4.179 1.00 0.00 H new ATOM 234 N TYR A 149 -10.794 -0.680 -4.051 1.00 0.00 N ATOM 235 CA TYR A 149 -9.487 -1.207 -4.436 1.00 0.00 C ATOM 236 C TYR A 149 -8.641 -0.126 -5.101 1.00 0.00 C ATOM 237 O TYR A 149 -7.549 0.197 -4.634 1.00 0.00 O ATOM 238 CB TYR A 149 -9.674 -2.375 -5.408 1.00 0.00 C ATOM 239 CG TYR A 149 -8.354 -3.075 -5.641 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.957 -4.125 -4.800 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.531 -2.680 -6.704 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.738 -4.777 -5.023 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.313 -3.334 -6.925 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.918 -4.383 -6.085 1.00 0.00 C ATOM 245 OH TYR A 149 -4.716 -5.025 -6.305 1.00 0.00 O ATOM 0 H TYR A 149 -11.580 -1.270 -4.322 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.973 -1.548 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.402 -3.080 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.073 -2.010 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.591 -4.430 -3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.836 -1.872 -7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.431 -5.584 -4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.678 -3.030 -7.744 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.983 -4.474 -5.959 1.00 0.00 H new ATOM 255 N GLN A 150 -9.152 0.425 -6.198 1.00 0.00 N ATOM 256 CA GLN A 150 -8.432 1.463 -6.926 1.00 0.00 C ATOM 257 C GLN A 150 -8.062 2.615 -5.998 1.00 0.00 C ATOM 258 O GLN A 150 -6.915 3.063 -5.977 1.00 0.00 O ATOM 259 CB GLN A 150 -9.293 1.986 -8.077 1.00 0.00 C ATOM 260 CG GLN A 150 -8.564 3.135 -8.788 1.00 0.00 C ATOM 261 CD GLN A 150 -9.118 3.318 -10.193 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.972 4.175 -10.423 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.675 2.557 -11.151 1.00 0.00 N ATOM 0 H GLN A 150 -10.055 0.172 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.516 1.029 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.501 1.182 -8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.254 2.332 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.682 4.057 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.496 2.924 -8.835 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.968 1.849 -10.954 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.035 2.668 -12.099 1.00 0.00 H new ATOM 272 N HIS A 151 -9.038 3.091 -5.232 1.00 0.00 N ATOM 273 CA HIS A 151 -8.792 4.192 -4.309 1.00 0.00 C ATOM 274 C HIS A 151 -7.584 3.880 -3.433 1.00 0.00 C ATOM 275 O HIS A 151 -6.688 4.711 -3.280 1.00 0.00 O ATOM 276 CB HIS A 151 -10.029 4.428 -3.423 1.00 0.00 C ATOM 277 CG HIS A 151 -11.035 5.276 -4.159 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.081 5.910 -3.509 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.165 5.602 -5.485 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.790 6.579 -4.437 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.274 6.425 -5.660 1.00 0.00 N ATOM 0 H HIS A 151 -9.995 2.737 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.591 5.094 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.477 3.473 -3.148 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.734 4.920 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.506 5.270 -6.274 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.669 7.168 -4.220 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.618 6.824 -6.533 1.00 0.00 H new ATOM 290 N TRP A 152 -7.564 2.685 -2.854 1.00 0.00 N ATOM 291 CA TRP A 152 -6.455 2.301 -1.996 1.00 0.00 C ATOM 292 C TRP A 152 -5.142 2.335 -2.778 1.00 0.00 C ATOM 293 O TRP A 152 -4.144 2.874 -2.306 1.00 0.00 O ATOM 294 CB TRP A 152 -6.681 0.889 -1.409 1.00 0.00 C ATOM 295 CG TRP A 152 -7.471 0.949 -0.135 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.572 0.203 0.115 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.239 1.753 1.067 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.040 0.500 1.381 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.258 1.452 2.004 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.264 2.711 1.439 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.309 2.071 3.250 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.317 3.330 2.692 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.336 3.017 3.595 1.00 0.00 C ATOM 0 H TRP A 152 -8.291 1.977 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.398 3.015 -1.174 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.206 0.270 -2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.719 0.413 -1.221 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.014 -0.510 -0.565 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.862 0.069 1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.473 2.966 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.095 1.823 3.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.564 4.055 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.373 3.504 4.558 1.00 0.00 H new ATOM 314 N LYS A 153 -5.150 1.748 -3.966 1.00 0.00 N ATOM 315 CA LYS A 153 -3.954 1.709 -4.803 1.00 0.00 C ATOM 316 C LYS A 153 -3.313 3.091 -4.892 1.00 0.00 C ATOM 317 O LYS A 153 -2.090 3.220 -4.858 1.00 0.00 O ATOM 318 CB LYS A 153 -4.336 1.198 -6.206 1.00 0.00 C ATOM 319 CG LYS A 153 -3.135 0.514 -6.901 1.00 0.00 C ATOM 320 CD LYS A 153 -3.619 -0.458 -7.989 1.00 0.00 C ATOM 321 CE LYS A 153 -4.080 0.320 -9.223 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.889 0.848 -9.950 1.00 0.00 N ATOM 0 H LYS A 153 -5.967 1.293 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.225 1.032 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.163 0.492 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.686 2.031 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.486 1.270 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.540 -0.025 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.815 -1.142 -8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.439 -1.066 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.662 -0.328 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.732 1.141 -8.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.160 1.103 -10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.528 1.690 -9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.148 0.119 -9.978 1.00 0.00 H new ATOM 336 N ASP A 154 -4.142 4.118 -4.998 1.00 0.00 N ATOM 337 CA ASP A 154 -3.631 5.479 -5.084 1.00 0.00 C ATOM 338 C ASP A 154 -3.158 5.963 -3.716 1.00 0.00 C ATOM 339 O ASP A 154 -2.054 6.489 -3.587 1.00 0.00 O ATOM 340 CB ASP A 154 -4.721 6.414 -5.609 1.00 0.00 C ATOM 341 CG ASP A 154 -5.038 6.081 -7.063 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.147 5.614 -7.752 1.00 0.00 O ATOM 343 OD2 ASP A 154 -6.169 6.297 -7.466 1.00 0.00 O ATOM 0 H ASP A 154 -5.159 4.039 -5.026 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.785 5.486 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.620 6.316 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.393 7.450 -5.528 1.00 0.00 H new ATOM 348 N GLU A 155 -3.998 5.782 -2.700 1.00 0.00 N ATOM 349 CA GLU A 155 -3.654 6.212 -1.346 1.00 0.00 C ATOM 350 C GLU A 155 -2.351 5.561 -0.878 1.00 0.00 C ATOM 351 O GLU A 155 -1.433 6.252 -0.434 1.00 0.00 O ATOM 352 CB GLU A 155 -4.801 5.871 -0.383 1.00 0.00 C ATOM 353 CG GLU A 155 -4.357 6.076 1.080 1.00 0.00 C ATOM 354 CD GLU A 155 -5.555 6.453 1.952 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.631 5.938 1.701 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.374 7.251 2.858 1.00 0.00 O ATOM 0 H GLU A 155 -4.915 5.344 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.504 7.292 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.664 6.501 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.114 4.838 -0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.896 5.163 1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.601 6.859 1.131 1.00 0.00 H new ATOM 363 N ALA A 156 -2.266 4.239 -0.984 1.00 0.00 N ATOM 364 CA ALA A 156 -1.057 3.535 -0.567 1.00 0.00 C ATOM 365 C ALA A 156 0.146 4.123 -1.290 1.00 0.00 C ATOM 366 O ALA A 156 1.248 4.178 -0.746 1.00 0.00 O ATOM 367 CB ALA A 156 -1.173 2.039 -0.883 1.00 0.00 C ATOM 0 H ALA A 156 -3.007 3.640 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.931 3.654 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.264 1.529 -0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.028 1.620 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.310 1.903 -1.956 1.00 0.00 H new ATOM 373 N GLY A 157 -0.081 4.571 -2.521 1.00 0.00 N ATOM 374 CA GLY A 157 0.985 5.169 -3.314 1.00 0.00 C ATOM 375 C GLY A 157 1.461 6.473 -2.681 1.00 0.00 C ATOM 376 O GLY A 157 2.662 6.698 -2.532 1.00 0.00 O ATOM 0 H GLY A 157 -0.987 4.531 -2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.819 4.472 -3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.629 5.359 -4.327 1.00 0.00 H new ATOM 380 N LYS A 158 0.512 7.333 -2.309 1.00 0.00 N ATOM 381 CA LYS A 158 0.857 8.611 -1.695 1.00 0.00 C ATOM 382 C LYS A 158 1.479 8.403 -0.318 1.00 0.00 C ATOM 383 O LYS A 158 2.396 9.126 0.069 1.00 0.00 O ATOM 384 CB LYS A 158 -0.390 9.494 -1.554 1.00 0.00 C ATOM 385 CG LYS A 158 -1.180 9.517 -2.877 1.00 0.00 C ATOM 386 CD LYS A 158 -1.964 10.829 -2.999 1.00 0.00 C ATOM 387 CE LYS A 158 -2.966 10.932 -1.848 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.922 12.045 -2.120 1.00 0.00 N ATOM 0 H LYS A 158 -0.489 7.169 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 158 1.581 9.104 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.023 9.116 -0.751 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.097 10.507 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.497 9.413 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.865 8.670 -2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.280 11.677 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.487 10.865 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.507 9.992 -1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.441 11.110 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.604 12.116 -1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.398 12.939 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.431 11.856 -3.007 1.00 0.00 H new ATOM 402 N GLN A 159 0.974 7.421 0.422 1.00 0.00 N ATOM 403 CA GLN A 159 1.494 7.149 1.760 1.00 0.00 C ATOM 404 C GLN A 159 2.992 6.847 1.701 1.00 0.00 C ATOM 405 O GLN A 159 3.762 7.296 2.549 1.00 0.00 O ATOM 406 CB GLN A 159 0.735 5.962 2.395 1.00 0.00 C ATOM 407 CG GLN A 159 0.590 6.176 3.912 1.00 0.00 C ATOM 408 CD GLN A 159 -0.533 7.166 4.198 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.287 8.251 4.725 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.759 6.856 3.878 1.00 0.00 N ATOM 0 H GLN A 159 0.216 6.807 0.125 1.00 0.00 H new ATOM 0 HA GLN A 159 1.343 8.035 2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.250 5.864 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.270 5.033 2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.381 5.225 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.527 6.548 4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.960 5.956 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.516 7.513 4.064 1.00 0.00 H new ATOM 419 N CYS A 160 3.394 6.074 0.698 1.00 0.00 N ATOM 420 CA CYS A 160 4.795 5.712 0.539 1.00 0.00 C ATOM 421 C CYS A 160 5.603 6.873 -0.030 1.00 0.00 C ATOM 422 O CYS A 160 6.710 7.157 0.427 1.00 0.00 O ATOM 423 CB CYS A 160 4.906 4.510 -0.394 1.00 0.00 C ATOM 424 SG CYS A 160 6.560 3.788 -0.258 1.00 0.00 S ATOM 0 H CYS A 160 2.772 5.688 -0.013 1.00 0.00 H new ATOM 0 HA CYS A 160 5.198 5.463 1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.151 3.767 -0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.715 4.816 -1.423 1.00 0.00 H new ATOM 429 N LYS A 161 5.048 7.533 -1.041 1.00 0.00 N ATOM 430 CA LYS A 161 5.731 8.654 -1.680 1.00 0.00 C ATOM 431 C LYS A 161 5.968 9.788 -0.687 1.00 0.00 C ATOM 432 O LYS A 161 7.088 10.280 -0.552 1.00 0.00 O ATOM 433 CB LYS A 161 4.902 9.169 -2.856 1.00 0.00 C ATOM 434 CG LYS A 161 4.936 8.146 -3.993 1.00 0.00 C ATOM 435 CD LYS A 161 3.887 8.514 -5.044 1.00 0.00 C ATOM 436 CE LYS A 161 3.903 7.476 -6.166 1.00 0.00 C ATOM 437 NZ LYS A 161 5.288 7.331 -6.692 1.00 0.00 N ATOM 0 H LYS A 161 4.133 7.314 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 161 6.697 8.301 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.873 9.343 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.296 10.125 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.927 8.123 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.740 7.147 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.898 8.556 -4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 161 4.094 9.505 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 161 3.542 6.517 -5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.229 7.781 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 5.252 7.085 -7.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 5.800 8.228 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 5.781 6.579 -6.170 1.00 0.00 H new ATOM 451 N THR A 162 4.909 10.203 0.001 1.00 0.00 N ATOM 452 CA THR A 162 5.027 11.285 0.971 1.00 0.00 C ATOM 453 C THR A 162 5.993 10.899 2.090 1.00 0.00 C ATOM 454 O THR A 162 6.633 11.760 2.693 1.00 0.00 O ATOM 455 CB THR A 162 3.649 11.627 1.558 1.00 0.00 C ATOM 456 OG1 THR A 162 3.726 12.870 2.242 1.00 0.00 O ATOM 457 CG2 THR A 162 3.204 10.535 2.533 1.00 0.00 C ATOM 0 H THR A 162 3.971 9.812 -0.093 1.00 0.00 H new ATOM 0 HA THR A 162 5.420 12.164 0.460 1.00 0.00 H new ATOM 0 HB THR A 162 2.923 11.695 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.848 13.092 2.617 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.226 10.789 2.942 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.141 9.582 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.927 10.455 3.345 1.00 0.00 H new ATOM 465 N LYS A 163 6.095 9.600 2.355 1.00 0.00 N ATOM 466 CA LYS A 163 6.990 9.115 3.398 1.00 0.00 C ATOM 467 C LYS A 163 8.434 9.124 2.900 1.00 0.00 C ATOM 468 O LYS A 163 8.688 9.042 1.700 1.00 0.00 O ATOM 469 CB LYS A 163 6.589 7.690 3.814 1.00 0.00 C ATOM 470 CG LYS A 163 5.413 7.748 4.804 1.00 0.00 C ATOM 471 CD LYS A 163 5.895 8.232 6.206 1.00 0.00 C ATOM 472 CE LYS A 163 5.152 9.509 6.622 1.00 0.00 C ATOM 473 NZ LYS A 163 5.423 9.794 8.061 1.00 0.00 N ATOM 0 H LYS A 163 5.574 8.871 1.867 1.00 0.00 H new ATOM 0 HA LYS A 163 6.911 9.774 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.308 7.110 2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.438 7.183 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.645 8.423 4.425 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.956 6.762 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.725 7.449 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.968 8.421 6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.476 10.348 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 163 4.081 9.389 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.920 10.659 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 5.093 8.996 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.445 9.926 8.202 1.00 0.00 H new ATOM 487 N LYS A 164 9.373 9.225 3.838 1.00 0.00 N ATOM 488 CA LYS A 164 10.794 9.249 3.496 1.00 0.00 C ATOM 489 C LYS A 164 11.607 8.515 4.556 1.00 0.00 C ATOM 490 O LYS A 164 11.130 8.274 5.664 1.00 0.00 O ATOM 491 CB LYS A 164 11.284 10.701 3.396 1.00 0.00 C ATOM 492 CG LYS A 164 10.799 11.519 4.616 1.00 0.00 C ATOM 493 CD LYS A 164 9.476 12.231 4.296 1.00 0.00 C ATOM 494 CE LYS A 164 9.072 13.107 5.484 1.00 0.00 C ATOM 495 NZ LYS A 164 10.108 14.154 5.704 1.00 0.00 N ATOM 0 H LYS A 164 9.177 9.291 4.837 1.00 0.00 H new ATOM 0 HA LYS A 164 10.927 8.752 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.373 10.721 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.914 11.154 2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.665 10.859 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.556 12.253 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.586 12.842 3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.696 11.498 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.105 13.572 5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.962 12.496 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.683 14.964 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 10.880 13.762 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.485 14.468 4.787 1.00 0.00 H new ATOM 509 N SER A 165 12.841 8.165 4.208 1.00 0.00 N ATOM 510 CA SER A 165 13.718 7.460 5.137 1.00 0.00 C ATOM 511 C SER A 165 14.317 8.438 6.144 1.00 0.00 C ATOM 512 O SER A 165 14.022 9.632 6.115 1.00 0.00 O ATOM 513 CB SER A 165 14.836 6.758 4.366 1.00 0.00 C ATOM 514 OG SER A 165 14.311 5.598 3.731 1.00 0.00 O ATOM 0 H SER A 165 13.255 8.356 3.296 1.00 0.00 H new ATOM 0 HA SER A 165 13.132 6.715 5.676 1.00 0.00 H new ATOM 0 HB2 SER A 165 15.261 7.433 3.623 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.643 6.482 5.044 1.00 0.00 H new ATOM 0 HG SER A 165 15.024 5.146 3.234 1.00 0.00 H new ATOM 520 N LYS A 166 15.159 7.924 7.034 1.00 0.00 N ATOM 521 CA LYS A 166 15.792 8.762 8.045 1.00 0.00 C ATOM 522 C LYS A 166 16.585 9.889 7.389 1.00 0.00 C ATOM 523 O LYS A 166 16.704 10.981 7.943 1.00 0.00 O ATOM 524 CB LYS A 166 16.727 7.915 8.917 1.00 0.00 C ATOM 525 CG LYS A 166 17.168 8.714 10.162 1.00 0.00 C ATOM 526 CD LYS A 166 16.158 8.525 11.301 1.00 0.00 C ATOM 527 CE LYS A 166 16.472 9.511 12.428 1.00 0.00 C ATOM 528 NZ LYS A 166 15.992 10.870 12.049 1.00 0.00 N ATOM 0 H LYS A 166 15.417 6.938 7.076 1.00 0.00 H new ATOM 0 HA LYS A 166 15.011 9.199 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 166 16.220 7.000 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.602 7.616 8.340 1.00 0.00 H new ATOM 0 HG2 LYS A 166 18.155 8.383 10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 166 17.252 9.772 9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.145 8.686 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 166 16.202 7.502 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 166 15.991 9.189 13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 166 17.545 9.533 12.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 15.986 11.483 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 16.626 11.274 11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 15.029 10.803 11.662 1.00 0.00 H new ATOM 542 N GLY A 167 17.128 9.613 6.206 1.00 0.00 N ATOM 543 CA GLY A 167 17.914 10.608 5.476 1.00 0.00 C ATOM 544 C GLY A 167 17.035 11.402 4.514 1.00 0.00 C ATOM 545 O GLY A 167 17.483 11.808 3.443 1.00 0.00 O ATOM 0 H GLY A 167 17.040 8.714 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.393 11.287 6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.710 10.112 4.921 1.00 0.00 H new ATOM 549 N ASN A 168 15.781 11.619 4.901 1.00 0.00 N ATOM 550 CA ASN A 168 14.849 12.365 4.062 1.00 0.00 C ATOM 551 C ASN A 168 14.937 11.893 2.615 1.00 0.00 C ATOM 552 O ASN A 168 14.946 12.702 1.687 1.00 0.00 O ATOM 553 CB ASN A 168 15.166 13.860 4.133 1.00 0.00 C ATOM 554 CG ASN A 168 15.070 14.347 5.576 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.006 14.958 6.090 1.00 0.00 O ATOM 556 ND2 ASN A 168 13.985 14.110 6.262 1.00 0.00 N ATOM 0 H ASN A 168 15.389 11.291 5.784 1.00 0.00 H new ATOM 0 HA ASN A 168 13.838 12.190 4.429 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.167 14.047 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.471 14.418 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.911 14.432 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.211 13.603 5.833 1.00 0.00 H new ATOM 563 N LYS A 169 15.003 10.576 2.432 1.00 0.00 N ATOM 564 CA LYS A 169 15.093 9.991 1.093 1.00 0.00 C ATOM 565 C LYS A 169 13.689 9.730 0.537 1.00 0.00 C ATOM 566 O LYS A 169 12.696 10.199 1.094 1.00 0.00 O ATOM 567 CB LYS A 169 15.908 8.675 1.162 1.00 0.00 C ATOM 568 CG LYS A 169 16.869 8.562 -0.041 1.00 0.00 C ATOM 569 CD LYS A 169 18.160 9.363 0.230 1.00 0.00 C ATOM 570 CE LYS A 169 19.167 8.502 1.004 1.00 0.00 C ATOM 571 NZ LYS A 169 20.442 9.256 1.164 1.00 0.00 N ATOM 0 H LYS A 169 14.996 9.894 3.191 1.00 0.00 H new ATOM 0 HA LYS A 169 15.600 10.687 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.476 8.642 2.092 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.230 7.822 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 169 17.113 7.516 -0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 169 16.382 8.937 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.599 9.689 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 169 17.926 10.262 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 169 18.762 8.239 1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 169 19.348 7.568 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 21.126 8.674 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 20.830 9.485 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 20.262 10.136 1.689 1.00 0.00 H new ATOM 585 N ASP A 170 13.616 8.980 -0.563 1.00 0.00 N ATOM 586 CA ASP A 170 12.332 8.655 -1.193 1.00 0.00 C ATOM 587 C ASP A 170 12.195 7.148 -1.367 1.00 0.00 C ATOM 588 O ASP A 170 13.191 6.425 -1.400 1.00 0.00 O ATOM 589 CB ASP A 170 12.237 9.337 -2.560 1.00 0.00 C ATOM 590 CG ASP A 170 10.801 9.286 -3.069 1.00 0.00 C ATOM 591 OD1 ASP A 170 9.900 9.399 -2.254 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.623 9.134 -4.267 1.00 0.00 O ATOM 0 H ASP A 170 14.429 8.586 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 170 11.528 9.013 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.568 10.373 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 170 12.901 8.843 -3.269 1.00 0.00 H new ATOM 597 N MET A 171 10.954 6.675 -1.474 1.00 0.00 N ATOM 598 CA MET A 171 10.696 5.246 -1.642 1.00 0.00 C ATOM 599 C MET A 171 9.435 5.017 -2.468 1.00 0.00 C ATOM 600 O MET A 171 8.425 5.696 -2.280 1.00 0.00 O ATOM 601 CB MET A 171 10.526 4.581 -0.273 1.00 0.00 C ATOM 602 CG MET A 171 11.759 4.854 0.592 1.00 0.00 C ATOM 603 SD MET A 171 11.703 3.818 2.078 1.00 0.00 S ATOM 604 CE MET A 171 11.906 2.210 1.271 1.00 0.00 C ATOM 0 H MET A 171 10.116 7.256 -1.448 1.00 0.00 H new ATOM 0 HA MET A 171 11.546 4.807 -2.164 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.633 4.965 0.220 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.386 3.507 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.666 4.645 0.025 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.793 5.907 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.216 1.469 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.959 1.904 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.665 2.287 0.493 1.00 0.00 H new ATOM 614 N ILE A 172 9.496 4.044 -3.375 1.00 0.00 N ATOM 615 CA ILE A 172 8.351 3.711 -4.222 1.00 0.00 C ATOM 616 C ILE A 172 7.524 2.619 -3.558 1.00 0.00 C ATOM 617 O ILE A 172 7.780 2.257 -2.415 1.00 0.00 O ATOM 618 CB ILE A 172 8.832 3.238 -5.604 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.628 1.926 -5.487 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.731 4.310 -6.220 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.918 1.381 -6.888 1.00 0.00 C ATOM 0 H ILE A 172 10.324 3.473 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 172 7.735 4.601 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 172 7.959 3.066 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.562 2.101 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.062 1.195 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.074 3.978 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.170 5.238 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.591 4.479 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.482 0.452 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.978 1.191 -7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.501 2.111 -7.449 1.00 0.00 H new ATOM 633 N VAL A 173 6.550 2.082 -4.291 1.00 0.00 N ATOM 634 CA VAL A 173 5.704 1.001 -3.774 1.00 0.00 C ATOM 635 C VAL A 173 5.967 -0.271 -4.570 1.00 0.00 C ATOM 636 O VAL A 173 5.601 -0.378 -5.741 1.00 0.00 O ATOM 637 CB VAL A 173 4.222 1.392 -3.862 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.345 0.171 -3.555 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.918 2.507 -2.849 1.00 0.00 C ATOM 0 H VAL A 173 6.325 2.375 -5.242 1.00 0.00 H new ATOM 0 HA VAL A 173 5.947 0.825 -2.726 1.00 0.00 H new ATOM 0 HB VAL A 173 4.007 1.749 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.294 0.453 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.554 -0.618 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.564 -0.191 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.865 2.781 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.138 2.154 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.534 3.378 -3.071 1.00 0.00 H new ATOM 649 N ARG A 174 6.623 -1.228 -3.922 1.00 0.00 N ATOM 650 CA ARG A 174 6.959 -2.492 -4.564 1.00 0.00 C ATOM 651 C ARG A 174 5.725 -3.393 -4.673 1.00 0.00 C ATOM 652 O ARG A 174 5.362 -3.826 -5.766 1.00 0.00 O ATOM 653 CB ARG A 174 8.090 -3.174 -3.758 1.00 0.00 C ATOM 654 CG ARG A 174 8.006 -4.706 -3.854 1.00 0.00 C ATOM 655 CD ARG A 174 9.342 -5.322 -3.435 1.00 0.00 C ATOM 656 NE ARG A 174 10.362 -5.052 -4.444 1.00 0.00 N ATOM 657 CZ ARG A 174 11.613 -5.470 -4.284 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.948 -6.136 -3.212 1.00 0.00 N ATOM 659 NH2 ARG A 174 12.507 -5.215 -5.199 1.00 0.00 N ATOM 0 H ARG A 174 6.932 -1.152 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 174 7.307 -2.308 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.057 -2.838 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.028 -2.870 -2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.206 -5.077 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.761 -5.003 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.654 -4.913 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.228 -6.398 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 174 10.110 -4.534 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.249 -6.336 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.909 -6.456 -3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 174 12.245 -4.695 -6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 174 13.468 -5.536 -5.077 1.00 0.00 H new ATOM 673 N SER A 175 5.092 -3.680 -3.533 1.00 0.00 N ATOM 674 CA SER A 175 3.903 -4.545 -3.512 1.00 0.00 C ATOM 675 C SER A 175 2.678 -3.771 -3.036 1.00 0.00 C ATOM 676 O SER A 175 2.799 -2.687 -2.467 1.00 0.00 O ATOM 677 CB SER A 175 4.147 -5.736 -2.583 1.00 0.00 C ATOM 678 OG SER A 175 3.220 -6.769 -2.893 1.00 0.00 O ATOM 0 H SER A 175 5.377 -3.331 -2.618 1.00 0.00 H new ATOM 0 HA SER A 175 3.718 -4.900 -4.526 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.168 -6.100 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.034 -5.430 -1.543 1.00 0.00 H new ATOM 0 HG SER A 175 3.374 -7.535 -2.301 1.00 0.00 H new ATOM 684 N PHE A 176 1.498 -4.339 -3.273 1.00 0.00 N ATOM 685 CA PHE A 176 0.260 -3.693 -2.860 1.00 0.00 C ATOM 686 C PHE A 176 -0.918 -4.667 -2.959 1.00 0.00 C ATOM 687 O PHE A 176 -1.098 -5.350 -3.968 1.00 0.00 O ATOM 688 CB PHE A 176 0.028 -2.437 -3.726 1.00 0.00 C ATOM 689 CG PHE A 176 -1.437 -2.046 -3.742 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.959 -1.264 -2.711 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.271 -2.471 -4.783 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.306 -0.910 -2.711 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.624 -2.110 -4.786 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.142 -1.330 -3.746 1.00 0.00 C ATOM 0 H PHE A 176 1.375 -5.236 -3.744 1.00 0.00 H new ATOM 0 HA PHE A 176 0.339 -3.388 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.624 -1.610 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.368 -2.626 -4.744 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.316 -0.932 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.871 -3.077 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.705 -0.309 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.268 -2.433 -5.591 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.186 -1.054 -3.745 1.00 0.00 H new ATOM 704 N ALA A 177 -1.714 -4.713 -1.893 1.00 0.00 N ATOM 705 CA ALA A 177 -2.882 -5.592 -1.836 1.00 0.00 C ATOM 706 C ALA A 177 -3.767 -5.185 -0.663 1.00 0.00 C ATOM 707 O ALA A 177 -3.259 -4.825 0.391 1.00 0.00 O ATOM 708 CB ALA A 177 -2.435 -7.044 -1.658 1.00 0.00 C ATOM 0 H ALA A 177 -1.572 -4.150 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.443 -5.502 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.311 -7.692 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.806 -7.337 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.869 -7.139 -0.731 1.00 0.00 H new ATOM 714 N VAL A 178 -5.085 -5.236 -0.843 1.00 0.00 N ATOM 715 CA VAL A 178 -5.993 -4.843 0.233 1.00 0.00 C ATOM 716 C VAL A 178 -5.929 -5.832 1.392 1.00 0.00 C ATOM 717 O VAL A 178 -5.393 -6.933 1.250 1.00 0.00 O ATOM 718 CB VAL A 178 -7.432 -4.720 -0.282 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.527 -3.535 -1.247 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.847 -6.011 -1.003 1.00 0.00 C ATOM 0 H VAL A 178 -5.541 -5.539 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.672 -3.867 0.597 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.102 -4.558 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.549 -3.446 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.247 -2.619 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.852 -3.695 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.871 -5.913 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.179 -6.187 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.786 -6.850 -0.310 1.00 0.00 H new ATOM 730 N LEU A 179 -6.450 -5.419 2.554 1.00 0.00 N ATOM 731 CA LEU A 179 -6.416 -6.262 3.755 1.00 0.00 C ATOM 732 C LEU A 179 -7.814 -6.722 4.175 1.00 0.00 C ATOM 733 O LEU A 179 -8.342 -7.703 3.654 1.00 0.00 O ATOM 734 CB LEU A 179 -5.788 -5.477 4.922 1.00 0.00 C ATOM 735 CG LEU A 179 -4.261 -5.362 4.754 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.678 -4.449 5.876 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.611 -6.772 4.800 1.00 0.00 C ATOM 0 H LEU A 179 -6.897 -4.512 2.688 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.821 -7.143 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.228 -4.481 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.017 -5.975 5.864 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.037 -4.914 3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.598 -4.369 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.125 -3.457 5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.903 -4.882 6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.532 -6.679 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.831 -7.243 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.014 -7.385 3.994 1.00 0.00 H new ATOM 749 N GLU A 180 -8.377 -6.023 5.158 1.00 0.00 N ATOM 750 CA GLU A 180 -9.687 -6.380 5.693 1.00 0.00 C ATOM 751 C GLU A 180 -10.811 -6.043 4.706 1.00 0.00 C ATOM 752 O GLU A 180 -10.726 -5.050 3.983 1.00 0.00 O ATOM 753 CB GLU A 180 -9.925 -5.630 7.004 1.00 0.00 C ATOM 754 CG GLU A 180 -9.031 -6.215 8.101 1.00 0.00 C ATOM 755 CD GLU A 180 -9.023 -5.293 9.315 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.022 -5.257 10.014 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.017 -4.635 9.528 1.00 0.00 O ATOM 0 H GLU A 180 -7.948 -5.209 5.598 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.697 -7.456 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.709 -4.570 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.973 -5.709 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.392 -7.203 8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.016 -6.343 7.725 1.00 0.00 H new ATOM 764 N PRO A 181 -11.865 -6.835 4.665 1.00 0.00 N ATOM 765 CA PRO A 181 -13.019 -6.589 3.750 1.00 0.00 C ATOM 766 C PRO A 181 -13.982 -5.520 4.282 1.00 0.00 C ATOM 767 O PRO A 181 -14.189 -5.387 5.489 1.00 0.00 O ATOM 768 CB PRO A 181 -13.708 -7.954 3.699 1.00 0.00 C ATOM 769 CG PRO A 181 -13.487 -8.518 5.060 1.00 0.00 C ATOM 770 CD PRO A 181 -12.083 -8.059 5.470 1.00 0.00 C ATOM 0 HA PRO A 181 -12.699 -6.211 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.770 -7.857 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.276 -8.591 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.239 -8.156 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.557 -9.606 5.050 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.026 -7.851 6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.333 -8.820 5.253 1.00 0.00 H new ATOM 778 N CYS A 182 -14.568 -4.781 3.350 1.00 0.00 N ATOM 779 CA CYS A 182 -15.532 -3.718 3.655 1.00 0.00 C ATOM 780 C CYS A 182 -16.723 -3.865 2.708 1.00 0.00 C ATOM 781 O CYS A 182 -16.844 -4.885 2.030 1.00 0.00 O ATOM 782 CB CYS A 182 -14.881 -2.341 3.494 1.00 0.00 C ATOM 783 SG CYS A 182 -15.701 -1.106 4.527 1.00 0.00 S ATOM 0 H CYS A 182 -14.391 -4.898 2.352 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.868 -3.805 4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.826 -2.401 3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.927 -2.034 2.449 1.00 0.00 H new ATOM 788 N ALA A 183 -17.607 -2.869 2.685 1.00 0.00 N ATOM 789 CA ALA A 183 -18.797 -2.912 1.824 1.00 0.00 C ATOM 790 C ALA A 183 -18.511 -3.618 0.491 1.00 0.00 C ATOM 791 O ALA A 183 -17.358 -3.776 0.096 1.00 0.00 O ATOM 792 CB ALA A 183 -19.281 -1.488 1.547 1.00 0.00 C ATOM 0 H ALA A 183 -17.526 -2.023 3.249 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.566 -3.479 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.164 -1.521 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.533 -1.000 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.492 -0.926 1.047 1.00 0.00 H new ATOM 798 N LEU A 184 -19.591 -4.043 -0.175 1.00 0.00 N ATOM 799 CA LEU A 184 -19.524 -4.766 -1.460 1.00 0.00 C ATOM 800 C LEU A 184 -18.156 -4.661 -2.146 1.00 0.00 C ATOM 801 O LEU A 184 -17.447 -5.659 -2.269 1.00 0.00 O ATOM 802 CB LEU A 184 -20.617 -4.223 -2.399 1.00 0.00 C ATOM 803 CG LEU A 184 -21.048 -5.300 -3.405 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.133 -4.729 -4.321 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.844 -5.744 -4.248 1.00 0.00 C ATOM 0 H LEU A 184 -20.543 -3.897 0.160 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.682 -5.823 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.478 -3.898 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.245 -3.348 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.439 -6.162 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.442 -5.490 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -22.991 -4.424 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.739 -3.865 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.159 -6.508 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.444 -4.887 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -19.073 -6.152 -3.595 1.00 0.00 H new ATOM 817 N ASP A 185 -17.794 -3.460 -2.596 1.00 0.00 N ATOM 818 CA ASP A 185 -16.508 -3.248 -3.277 1.00 0.00 C ATOM 819 C ASP A 185 -15.661 -2.240 -2.514 1.00 0.00 C ATOM 820 O ASP A 185 -15.433 -1.126 -2.985 1.00 0.00 O ATOM 821 CB ASP A 185 -16.752 -2.734 -4.698 1.00 0.00 C ATOM 822 CG ASP A 185 -17.514 -1.415 -4.650 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.247 -1.210 -3.695 1.00 0.00 O ATOM 824 OD2 ASP A 185 -17.355 -0.628 -5.568 1.00 0.00 O ATOM 0 H ASP A 185 -18.366 -2.621 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.977 -4.199 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.801 -2.596 -5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.318 -3.470 -5.268 1.00 0.00 H new ATOM 829 N MET A 186 -15.206 -2.637 -1.330 1.00 0.00 N ATOM 830 CA MET A 186 -14.396 -1.757 -0.494 1.00 0.00 C ATOM 831 C MET A 186 -13.582 -2.561 0.518 1.00 0.00 C ATOM 832 O MET A 186 -13.880 -3.725 0.781 1.00 0.00 O ATOM 833 CB MET A 186 -15.303 -0.754 0.237 1.00 0.00 C ATOM 834 CG MET A 186 -15.846 0.297 -0.740 1.00 0.00 C ATOM 835 SD MET A 186 -16.399 1.746 0.197 1.00 0.00 S ATOM 836 CE MET A 186 -16.000 2.998 -1.048 1.00 0.00 C ATOM 0 H MET A 186 -15.383 -3.558 -0.929 1.00 0.00 H new ATOM 0 HA MET A 186 -13.701 -1.216 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.132 -1.282 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.743 -0.263 1.033 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.073 0.583 -1.453 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.674 -0.117 -1.316 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.148 3.992 -0.625 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.960 2.886 -1.356 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.651 2.871 -1.913 1.00 0.00 H new ATOM 846 N PHE A 187 -12.548 -1.926 1.086 1.00 0.00 N ATOM 847 CA PHE A 187 -11.685 -2.582 2.078 1.00 0.00 C ATOM 848 C PHE A 187 -11.436 -1.666 3.280 1.00 0.00 C ATOM 849 O PHE A 187 -11.134 -0.484 3.120 1.00 0.00 O ATOM 850 CB PHE A 187 -10.366 -2.958 1.415 1.00 0.00 C ATOM 851 CG PHE A 187 -10.675 -3.895 0.280 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.777 -5.268 0.518 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.892 -3.386 -1.006 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.092 -6.138 -0.530 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.209 -4.253 -2.056 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.310 -5.632 -1.819 1.00 0.00 C ATOM 0 H PHE A 187 -12.289 -0.962 0.877 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.182 -3.480 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.855 -2.068 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.699 -3.435 2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.612 -5.657 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.815 -2.324 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.167 -7.200 -0.347 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.376 -3.861 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.555 -6.303 -2.629 1.00 0.00 H new ATOM 866 N THR A 188 -11.591 -2.224 4.484 1.00 0.00 N ATOM 867 CA THR A 188 -11.409 -1.448 5.714 1.00 0.00 C ATOM 868 C THR A 188 -9.946 -1.044 5.900 1.00 0.00 C ATOM 869 O THR A 188 -9.642 -0.140 6.677 1.00 0.00 O ATOM 870 CB THR A 188 -11.882 -2.248 6.956 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.755 -2.681 7.707 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.702 -3.471 6.537 1.00 0.00 C ATOM 0 H THR A 188 -11.840 -3.202 4.633 1.00 0.00 H new ATOM 0 HA THR A 188 -12.017 -0.548 5.618 1.00 0.00 H new ATOM 0 HB THR A 188 -12.507 -1.594 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.058 -3.184 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.022 -4.016 7.425 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.578 -3.147 5.975 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.091 -4.122 5.913 1.00 0.00 H new ATOM 880 N GLY A 189 -9.046 -1.724 5.200 1.00 0.00 N ATOM 881 CA GLY A 189 -7.624 -1.426 5.319 1.00 0.00 C ATOM 882 C GLY A 189 -6.841 -2.030 4.165 1.00 0.00 C ATOM 883 O GLY A 189 -7.335 -2.913 3.465 1.00 0.00 O ATOM 0 H GLY A 189 -9.272 -2.478 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.476 -0.346 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.245 -1.816 6.264 1.00 0.00 H new ATOM 887 N VAL A 190 -5.614 -1.545 3.963 1.00 0.00 N ATOM 888 CA VAL A 190 -4.777 -2.053 2.876 1.00 0.00 C ATOM 889 C VAL A 190 -3.305 -2.135 3.278 1.00 0.00 C ATOM 890 O VAL A 190 -2.797 -1.286 4.010 1.00 0.00 O ATOM 891 CB VAL A 190 -4.933 -1.146 1.639 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.498 0.283 1.989 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.084 -1.677 0.454 1.00 0.00 C ATOM 0 H VAL A 190 -5.184 -0.813 4.528 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.110 -3.064 2.642 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.981 -1.147 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.609 0.922 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.120 0.665 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.455 0.279 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.210 -1.021 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.033 -1.700 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.411 -2.684 0.194 1.00 0.00 H new ATOM 903 N GLU A 191 -2.626 -3.169 2.775 1.00 0.00 N ATOM 904 CA GLU A 191 -1.202 -3.374 3.054 1.00 0.00 C ATOM 905 C GLU A 191 -0.382 -3.158 1.787 1.00 0.00 C ATOM 906 O GLU A 191 -0.794 -3.557 0.697 1.00 0.00 O ATOM 907 CB GLU A 191 -0.975 -4.793 3.601 1.00 0.00 C ATOM 908 CG GLU A 191 -1.225 -5.858 2.525 1.00 0.00 C ATOM 909 CD GLU A 191 -0.924 -7.242 3.094 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.052 -7.333 3.944 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.567 -8.187 2.671 1.00 0.00 O ATOM 0 H GLU A 191 -3.040 -3.879 2.171 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.880 -2.652 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.046 -4.882 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.638 -4.968 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.260 -5.811 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.595 -5.666 1.656 1.00 0.00 H new ATOM 918 N PHE A 192 0.783 -2.531 1.931 1.00 0.00 N ATOM 919 CA PHE A 192 1.650 -2.281 0.782 1.00 0.00 C ATOM 920 C PHE A 192 3.108 -2.193 1.209 1.00 0.00 C ATOM 921 O PHE A 192 3.421 -1.718 2.302 1.00 0.00 O ATOM 922 CB PHE A 192 1.242 -0.992 0.060 1.00 0.00 C ATOM 923 CG PHE A 192 1.121 0.158 1.035 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.042 0.211 1.929 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.076 1.183 1.031 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.077 1.285 2.818 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.954 2.258 1.918 1.00 0.00 C ATOM 928 CZ PHE A 192 0.878 2.308 2.812 1.00 0.00 C ATOM 0 H PHE A 192 1.146 -2.190 2.821 1.00 0.00 H new ATOM 0 HA PHE A 192 1.537 -3.120 0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.980 -0.750 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.291 -1.142 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.697 -0.577 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.907 1.143 0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.906 1.325 3.509 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.690 3.049 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.785 3.137 3.498 1.00 0.00 H new ATOM 938 N VAL A 193 3.997 -2.658 0.334 1.00 0.00 N ATOM 939 CA VAL A 193 5.436 -2.640 0.617 1.00 0.00 C ATOM 940 C VAL A 193 6.108 -1.479 -0.103 1.00 0.00 C ATOM 941 O VAL A 193 5.681 -1.073 -1.184 1.00 0.00 O ATOM 942 CB VAL A 193 6.079 -3.956 0.161 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.600 -3.882 0.340 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.525 -5.109 1.003 1.00 0.00 C ATOM 0 H VAL A 193 3.751 -3.051 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 193 5.571 -2.520 1.692 1.00 0.00 H new ATOM 0 HB VAL A 193 5.849 -4.123 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.051 -4.820 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 193 7.997 -3.062 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.835 -3.712 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.980 -6.046 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.756 -4.936 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.444 -5.167 0.874 1.00 0.00 H new ATOM 954 N CYS A 194 7.171 -0.952 0.502 1.00 0.00 N ATOM 955 CA CYS A 194 7.920 0.164 -0.080 1.00 0.00 C ATOM 956 C CYS A 194 9.358 -0.255 -0.363 1.00 0.00 C ATOM 957 O CYS A 194 9.895 -1.139 0.300 1.00 0.00 O ATOM 958 CB CYS A 194 7.921 1.350 0.884 1.00 0.00 C ATOM 959 SG CYS A 194 6.292 2.138 0.875 1.00 0.00 S ATOM 0 H CYS A 194 7.535 -1.280 1.397 1.00 0.00 H new ATOM 0 HA CYS A 194 7.440 0.453 -1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.168 1.013 1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.686 2.069 0.591 1.00 0.00 H new ATOM 964 N CYS A 195 9.983 0.389 -1.352 1.00 0.00 N ATOM 965 CA CYS A 195 11.369 0.071 -1.713 1.00 0.00 C ATOM 966 C CYS A 195 12.138 1.354 -2.071 1.00 0.00 C ATOM 967 O CYS A 195 11.562 2.279 -2.641 1.00 0.00 O ATOM 968 CB CYS A 195 11.373 -0.893 -2.901 1.00 0.00 C ATOM 969 SG CYS A 195 10.991 -2.564 -2.314 1.00 0.00 S ATOM 0 H CYS A 195 9.557 1.127 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 195 11.862 -0.398 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.639 -0.578 -3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.346 -0.881 -3.391 1.00 0.00 H new ATOM 974 N PRO A 196 13.417 1.439 -1.749 1.00 0.00 N ATOM 975 CA PRO A 196 14.243 2.651 -2.053 1.00 0.00 C ATOM 976 C PRO A 196 14.625 2.742 -3.529 1.00 0.00 C ATOM 977 O PRO A 196 15.418 3.599 -3.923 1.00 0.00 O ATOM 978 CB PRO A 196 15.484 2.455 -1.175 1.00 0.00 C ATOM 979 CG PRO A 196 15.644 0.973 -1.092 1.00 0.00 C ATOM 980 CD PRO A 196 14.223 0.404 -1.067 1.00 0.00 C ATOM 0 HA PRO A 196 13.706 3.578 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.362 2.926 -1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.347 2.897 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.204 0.591 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.196 0.688 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.166 -0.553 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.877 0.235 -0.047 1.00 0.00 H new ATOM 988 N ASN A 197 14.061 1.856 -4.340 1.00 0.00 N ATOM 989 CA ASN A 197 14.354 1.849 -5.768 1.00 0.00 C ATOM 990 C ASN A 197 14.278 3.265 -6.335 1.00 0.00 C ATOM 991 O ASN A 197 13.175 3.735 -6.560 1.00 0.00 O ATOM 992 CB ASN A 197 13.350 0.946 -6.490 1.00 0.00 C ATOM 993 CG ASN A 197 13.725 -0.522 -6.309 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.831 -0.833 -5.870 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.859 -1.442 -6.625 1.00 0.00 N ATOM 996 OXT ASN A 197 15.325 3.859 -6.536 1.00 0.00 O ATOM 0 H ASN A 197 13.403 1.138 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 197 15.364 1.468 -5.920 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.348 1.122 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.327 1.193 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.096 -2.427 -6.509 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.943 -1.177 -6.989 1.00 0.00 H new