USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 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 :FLIP no HD1:sc= 0.0183 F(o=-3.4,f=-1.5) USER MOD Set 1.2: A 141 ASN :FLIP amide:sc= -1.49 F(o=-3.2!,f=-1.5) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0297 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= 0.366 K(o=0.37,f=-0.73) USER MOD Single : A 149 TYR OH : rot -101:sc= 0.0251 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.53! C(o=-8.5!,f=-10!) USER MOD Single : A 153 LYS NZ :NH3+ 156:sc= -0.0614 (180deg=-0.475) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.078) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 141:sc= -0.142 (180deg=-1.01) USER MOD Single : A 165 SER OG : rot 180:sc= -0.432! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 ASN : amide:sc=-0.00373 X(o=-0.0037,f=0) USER MOD Single : A 169 LYS NZ :NH3+ -164:sc= -0.013 (180deg=-0.29) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.73 (180deg=-1.57!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -174:sc=-0.00672 (180deg=-0.0705) USER MOD Single : A 188 THR OG1 : rot -157:sc= -0.389 USER MOD Single : A 197 ASN : amide:sc= -0.0742 K(o=-0.074,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 134 17.317 -1.998 3.088 1.00 0.00 N ATOM 19 CA ALA A 134 16.463 -2.861 2.278 1.00 0.00 C ATOM 20 C ALA A 134 15.040 -2.313 2.230 1.00 0.00 C ATOM 21 O ALA A 134 14.729 -1.311 2.875 1.00 0.00 O ATOM 22 CB ALA A 134 16.449 -4.275 2.861 1.00 0.00 C ATOM 0 HA ALA A 134 16.863 -2.890 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.810 -4.914 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.462 -4.676 2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.065 -4.244 3.881 1.00 0.00 H new ATOM 28 N CYS A 135 14.182 -2.976 1.463 1.00 0.00 N ATOM 29 CA CYS A 135 12.793 -2.546 1.340 1.00 0.00 C ATOM 30 C CYS A 135 12.108 -2.562 2.702 1.00 0.00 C ATOM 31 O CYS A 135 12.505 -3.307 3.597 1.00 0.00 O ATOM 32 CB CYS A 135 12.051 -3.460 0.360 1.00 0.00 C ATOM 33 SG CYS A 135 12.667 -3.152 -1.316 1.00 0.00 S ATOM 0 H CYS A 135 14.420 -3.807 0.921 1.00 0.00 H new ATOM 0 HA CYS A 135 12.772 -1.525 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.203 -4.505 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.979 -3.271 0.408 1.00 0.00 H new ATOM 38 N GLN A 136 11.082 -1.722 2.856 1.00 0.00 N ATOM 39 CA GLN A 136 10.343 -1.629 4.119 1.00 0.00 C ATOM 40 C GLN A 136 8.870 -1.942 3.897 1.00 0.00 C ATOM 41 O GLN A 136 8.358 -1.804 2.789 1.00 0.00 O ATOM 42 CB GLN A 136 10.482 -0.219 4.697 1.00 0.00 C ATOM 43 CG GLN A 136 11.933 0.019 5.119 1.00 0.00 C ATOM 44 CD GLN A 136 12.098 1.442 5.639 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.394 1.853 6.562 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.992 2.226 5.099 1.00 0.00 N ATOM 0 H GLN A 136 10.744 -1.097 2.124 1.00 0.00 H new ATOM 0 HA GLN A 136 10.758 -2.354 4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.182 0.521 3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.819 -0.099 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.217 -0.695 5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.599 -0.147 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.575 1.885 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 136 13.108 3.180 5.442 1.00 0.00 H new ATOM 55 N PHE A 137 8.192 -2.374 4.961 1.00 0.00 N ATOM 56 CA PHE A 137 6.769 -2.713 4.878 1.00 0.00 C ATOM 57 C PHE A 137 5.923 -1.681 5.622 1.00 0.00 C ATOM 58 O PHE A 137 6.278 -1.245 6.716 1.00 0.00 O ATOM 59 CB PHE A 137 6.542 -4.108 5.478 1.00 0.00 C ATOM 60 CG PHE A 137 5.058 -4.390 5.608 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.231 -4.326 4.478 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.507 -4.710 6.857 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.864 -4.582 4.595 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.136 -4.967 6.973 1.00 0.00 C ATOM 65 CZ PHE A 137 2.314 -4.903 5.844 1.00 0.00 C ATOM 0 H PHE A 137 8.602 -2.497 5.887 1.00 0.00 H new ATOM 0 HA PHE A 137 6.467 -2.711 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 137 7.009 -4.863 4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 137 7.018 -4.172 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.652 -4.078 3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.141 -4.758 7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.229 -4.533 3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.713 -5.215 7.935 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.256 -5.101 5.934 1.00 0.00 H new ATOM 75 N SER A 138 4.799 -1.299 5.015 1.00 0.00 N ATOM 76 CA SER A 138 3.896 -0.318 5.617 1.00 0.00 C ATOM 77 C SER A 138 2.453 -0.604 5.211 1.00 0.00 C ATOM 78 O SER A 138 2.166 -0.862 4.041 1.00 0.00 O ATOM 79 CB SER A 138 4.287 1.089 5.166 1.00 0.00 C ATOM 80 OG SER A 138 3.681 2.044 6.027 1.00 0.00 O ATOM 0 H SER A 138 4.493 -1.653 4.109 1.00 0.00 H new ATOM 0 HA SER A 138 3.977 -0.388 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.371 1.201 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.967 1.255 4.137 1.00 0.00 H new ATOM 0 HG SER A 138 3.931 2.947 5.741 1.00 0.00 H new ATOM 86 N HIS A 139 1.543 -0.559 6.187 1.00 0.00 N ATOM 87 CA HIS A 139 0.122 -0.818 5.930 1.00 0.00 C ATOM 88 C HIS A 139 -0.755 0.246 6.586 1.00 0.00 C ATOM 89 O HIS A 139 -0.323 0.949 7.499 1.00 0.00 O ATOM 90 CB HIS A 139 -0.269 -2.197 6.467 1.00 0.00 C ATOM 91 CG HIS A 139 -0.172 -2.202 7.967 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.075 -1.859 8.943 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.976 -2.599 8.635 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.499 -2.040 10.198 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.736 -2.486 9.954 1.00 0.00 N flip ATOM 0 H HIS A 139 1.763 -0.346 7.160 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.035 -0.787 4.852 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.285 -2.444 6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.386 -2.960 6.048 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.895 -2.937 8.180 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -0.953 -1.859 11.161 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.415 -2.714 10.680 1.00 0.00 H new ATOM 104 N VAL A 140 -1.993 0.354 6.104 1.00 0.00 N ATOM 105 CA VAL A 140 -2.950 1.332 6.630 1.00 0.00 C ATOM 106 C VAL A 140 -4.317 0.671 6.813 1.00 0.00 C ATOM 107 O VAL A 140 -4.929 0.228 5.843 1.00 0.00 O ATOM 108 CB VAL A 140 -3.057 2.510 5.650 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.238 3.411 6.023 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.767 3.330 5.701 1.00 0.00 C ATOM 0 H VAL A 140 -2.359 -0.225 5.348 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.607 1.699 7.598 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.213 2.117 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.299 4.241 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.162 2.834 5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.094 3.801 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.840 4.167 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.617 3.709 6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.923 2.699 5.421 1.00 0.00 H new ATOM 120 N ASN A 141 -4.789 0.594 8.059 1.00 0.00 N ATOM 121 CA ASN A 141 -6.083 -0.034 8.338 1.00 0.00 C ATOM 122 C ASN A 141 -6.748 0.572 9.579 1.00 0.00 C ATOM 123 O ASN A 141 -6.162 0.588 10.661 1.00 0.00 O ATOM 124 CB ASN A 141 -5.887 -1.542 8.550 1.00 0.00 C ATOM 125 CG ASN A 141 -5.224 -1.812 9.899 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.950 -1.797 10.983 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.019 -2.044 9.965 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.303 0.953 8.881 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.735 0.145 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.850 -2.050 8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.272 -1.951 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.454 -2.055 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.583 -2.226 10.869 1.00 0.00 H new ATOM 134 N SER A 142 -7.987 1.047 9.417 1.00 0.00 N ATOM 135 CA SER A 142 -8.743 1.624 10.535 1.00 0.00 C ATOM 136 C SER A 142 -10.202 1.179 10.462 1.00 0.00 C ATOM 137 O SER A 142 -10.589 0.437 9.559 1.00 0.00 O ATOM 138 CB SER A 142 -8.658 3.155 10.522 1.00 0.00 C ATOM 139 OG SER A 142 -8.907 3.646 11.832 1.00 0.00 O ATOM 0 H SER A 142 -8.486 1.044 8.528 1.00 0.00 H new ATOM 0 HA SER A 142 -8.305 1.266 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.673 3.474 10.182 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.385 3.566 9.822 1.00 0.00 H new ATOM 0 HG SER A 142 -8.852 4.624 11.830 1.00 0.00 H new ATOM 145 N ARG A 143 -11.003 1.633 11.418 1.00 0.00 N ATOM 146 CA ARG A 143 -12.417 1.268 11.453 1.00 0.00 C ATOM 147 C ARG A 143 -13.202 1.997 10.363 1.00 0.00 C ATOM 148 O ARG A 143 -14.107 1.427 9.754 1.00 0.00 O ATOM 149 CB ARG A 143 -13.007 1.607 12.828 1.00 0.00 C ATOM 150 CG ARG A 143 -12.549 0.572 13.861 1.00 0.00 C ATOM 151 CD ARG A 143 -11.020 0.491 13.878 1.00 0.00 C ATOM 152 NE ARG A 143 -10.564 -0.123 15.121 1.00 0.00 N ATOM 153 CZ ARG A 143 -10.642 0.527 16.277 1.00 0.00 C ATOM 154 NH1 ARG A 143 -11.132 1.736 16.316 1.00 0.00 N ATOM 155 NH2 ARG A 143 -10.229 -0.045 17.376 1.00 0.00 N ATOM 0 H ARG A 143 -10.703 2.249 12.174 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.496 0.196 11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -12.690 2.604 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -14.096 1.622 12.773 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -12.918 0.845 14.850 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.971 -0.404 13.622 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -10.669 -0.091 13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.594 1.489 13.779 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.179 -1.067 15.102 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -11.456 2.183 15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -11.191 2.234 17.204 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -9.847 -0.990 17.346 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -10.289 0.454 18.264 1.00 0.00 H new ATOM 169 N ASP A 144 -12.867 3.267 10.134 1.00 0.00 N ATOM 170 CA ASP A 144 -13.566 4.072 9.127 1.00 0.00 C ATOM 171 C ASP A 144 -12.871 4.003 7.768 1.00 0.00 C ATOM 172 O ASP A 144 -13.498 4.229 6.734 1.00 0.00 O ATOM 173 CB ASP A 144 -13.626 5.529 9.588 1.00 0.00 C ATOM 174 CG ASP A 144 -14.476 6.347 8.622 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.687 6.335 8.773 1.00 0.00 O ATOM 176 OD2 ASP A 144 -13.904 6.973 7.745 1.00 0.00 O ATOM 0 H ASP A 144 -12.122 3.759 10.627 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.572 3.668 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.047 5.584 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.620 5.944 9.641 1.00 0.00 H new ATOM 181 N GLN A 145 -11.578 3.704 7.776 1.00 0.00 N ATOM 182 CA GLN A 145 -10.818 3.623 6.532 1.00 0.00 C ATOM 183 C GLN A 145 -11.418 2.573 5.592 1.00 0.00 C ATOM 184 O GLN A 145 -10.888 1.471 5.462 1.00 0.00 O ATOM 185 CB GLN A 145 -9.351 3.279 6.855 1.00 0.00 C ATOM 186 CG GLN A 145 -8.554 4.561 7.141 1.00 0.00 C ATOM 187 CD GLN A 145 -7.079 4.230 7.324 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.212 4.942 6.815 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.741 3.190 8.026 1.00 0.00 N ATOM 0 H GLN A 145 -11.037 3.515 8.620 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.863 4.587 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.308 2.615 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.903 2.743 6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.677 5.266 6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.940 5.046 8.038 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.461 2.602 8.446 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.756 2.961 8.157 1.00 0.00 H new ATOM 198 N CYS A 146 -12.522 2.935 4.934 1.00 0.00 N ATOM 199 CA CYS A 146 -13.211 2.039 3.995 1.00 0.00 C ATOM 200 C CYS A 146 -13.222 2.662 2.592 1.00 0.00 C ATOM 201 O CYS A 146 -13.976 3.598 2.327 1.00 0.00 O ATOM 202 CB CYS A 146 -14.648 1.814 4.495 1.00 0.00 C ATOM 203 SG CYS A 146 -15.518 0.633 3.432 1.00 0.00 S ATOM 0 H CYS A 146 -12.963 3.849 5.034 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.691 1.083 3.940 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.628 1.442 5.520 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.186 2.762 4.510 1.00 0.00 H new ATOM 208 N ASN A 147 -12.363 2.146 1.702 1.00 0.00 N ATOM 209 CA ASN A 147 -12.256 2.669 0.328 1.00 0.00 C ATOM 210 C ASN A 147 -12.173 1.535 -0.701 1.00 0.00 C ATOM 211 O ASN A 147 -11.948 0.378 -0.349 1.00 0.00 O ATOM 212 CB ASN A 147 -11.009 3.550 0.208 1.00 0.00 C ATOM 213 CG ASN A 147 -10.893 4.456 1.429 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.328 5.607 1.394 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.327 4.001 2.515 1.00 0.00 N ATOM 0 H ASN A 147 -11.733 1.370 1.905 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.153 3.254 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.119 2.926 0.122 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.065 4.153 -0.699 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.245 4.600 3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.967 3.047 2.541 1.00 0.00 H new ATOM 222 N ASP A 148 -12.367 1.881 -1.978 1.00 0.00 N ATOM 223 CA ASP A 148 -12.324 0.895 -3.062 1.00 0.00 C ATOM 224 C ASP A 148 -10.892 0.487 -3.403 1.00 0.00 C ATOM 225 O ASP A 148 -9.935 1.195 -3.088 1.00 0.00 O ATOM 226 CB ASP A 148 -13.014 1.454 -4.309 1.00 0.00 C ATOM 227 CG ASP A 148 -12.531 2.870 -4.592 1.00 0.00 C ATOM 228 OD1 ASP A 148 -11.557 3.009 -5.312 1.00 0.00 O ATOM 229 OD2 ASP A 148 -13.145 3.796 -4.087 1.00 0.00 O ATOM 0 H ASP A 148 -12.555 2.835 -2.286 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.852 0.006 -2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.805 0.814 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.095 1.453 -4.166 1.00 0.00 H new ATOM 234 N TYR A 149 -10.765 -0.671 -4.047 1.00 0.00 N ATOM 235 CA TYR A 149 -9.461 -1.199 -4.437 1.00 0.00 C ATOM 236 C TYR A 149 -8.615 -0.119 -5.102 1.00 0.00 C ATOM 237 O TYR A 149 -7.521 0.201 -4.638 1.00 0.00 O ATOM 238 CB TYR A 149 -9.655 -2.364 -5.412 1.00 0.00 C ATOM 239 CG TYR A 149 -8.339 -3.067 -5.655 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.943 -4.120 -4.821 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.517 -2.670 -6.718 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.726 -4.776 -5.051 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.302 -3.326 -6.947 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.907 -4.380 -6.114 1.00 0.00 C ATOM 245 OH TYR A 149 -4.710 -5.027 -6.340 1.00 0.00 O ATOM 0 H TYR A 149 -11.553 -1.263 -4.310 1.00 0.00 H new ATOM 0 HA TYR A 149 -8.944 -1.543 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.383 -3.068 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.058 -1.995 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.575 -4.426 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -7.821 -1.857 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.420 -5.588 -4.407 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.669 -3.019 -7.766 1.00 0.00 H new ATOM 0 HH TYR A 149 -3.973 -4.482 -5.992 1.00 0.00 H new ATOM 255 N GLN A 150 -9.126 0.435 -6.197 1.00 0.00 N ATOM 256 CA GLN A 150 -8.409 1.474 -6.925 1.00 0.00 C ATOM 257 C GLN A 150 -8.034 2.623 -5.995 1.00 0.00 C ATOM 258 O GLN A 150 -6.885 3.065 -5.973 1.00 0.00 O ATOM 259 CB GLN A 150 -9.272 2.003 -8.070 1.00 0.00 C ATOM 260 CG GLN A 150 -8.540 3.146 -8.784 1.00 0.00 C ATOM 261 CD GLN A 150 -9.123 3.355 -10.172 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.935 4.255 -10.382 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.751 2.567 -11.138 1.00 0.00 N ATOM 0 H GLN A 150 -10.030 0.183 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.496 1.039 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.489 1.201 -8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.228 2.356 -7.684 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.628 4.064 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.477 2.917 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.077 1.822 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.133 2.694 -12.075 1.00 0.00 H new ATOM 272 N HIS A 151 -9.006 3.102 -5.227 1.00 0.00 N ATOM 273 CA HIS A 151 -8.757 4.198 -4.302 1.00 0.00 C ATOM 274 C HIS A 151 -7.551 3.882 -3.426 1.00 0.00 C ATOM 275 O HIS A 151 -6.654 4.709 -3.269 1.00 0.00 O ATOM 276 CB HIS A 151 -9.994 4.440 -3.417 1.00 0.00 C ATOM 277 CG HIS A 151 -10.996 5.292 -4.152 1.00 0.00 C ATOM 278 ND1 HIS A 151 -11.034 5.360 -5.536 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.997 6.120 -3.708 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.029 6.203 -5.873 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.648 6.693 -4.796 1.00 0.00 N ATOM 0 H HIS A 151 -9.964 2.752 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.552 5.100 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.447 3.487 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.698 4.931 -2.490 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -12.242 6.299 -2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -12.294 6.452 -6.890 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -13.430 7.347 -4.775 1.00 0.00 H new ATOM 290 N TRP A 152 -7.535 2.684 -2.850 1.00 0.00 N ATOM 291 CA TRP A 152 -6.428 2.294 -1.991 1.00 0.00 C ATOM 292 C TRP A 152 -5.114 2.327 -2.772 1.00 0.00 C ATOM 293 O TRP A 152 -4.116 2.862 -2.301 1.00 0.00 O ATOM 294 CB TRP A 152 -6.656 0.881 -1.410 1.00 0.00 C ATOM 295 CG TRP A 152 -7.441 0.938 -0.132 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.545 0.195 0.119 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.200 1.737 1.073 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.005 0.489 1.388 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.216 1.435 2.013 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.220 2.688 1.445 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.261 2.047 3.262 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.266 3.300 2.703 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.282 2.987 3.607 1.00 0.00 C ATOM 0 H TRP A 152 -8.264 1.979 -2.961 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.372 3.005 -1.166 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.186 0.267 -2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.695 0.401 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -8.993 -0.513 -0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.827 0.060 1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.431 2.943 0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.046 1.799 3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.509 4.020 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.313 3.470 4.573 1.00 0.00 H new ATOM 314 N LYS A 153 -5.125 1.746 -3.964 1.00 0.00 N ATOM 315 CA LYS A 153 -3.927 1.705 -4.799 1.00 0.00 C ATOM 316 C LYS A 153 -3.283 3.084 -4.883 1.00 0.00 C ATOM 317 O LYS A 153 -2.059 3.209 -4.850 1.00 0.00 O ATOM 318 CB LYS A 153 -4.312 1.199 -6.204 1.00 0.00 C ATOM 319 CG LYS A 153 -3.114 0.511 -6.899 1.00 0.00 C ATOM 320 CD LYS A 153 -3.602 -0.453 -7.992 1.00 0.00 C ATOM 321 CE LYS A 153 -4.065 0.339 -9.217 1.00 0.00 C ATOM 322 NZ LYS A 153 -2.883 0.945 -9.891 1.00 0.00 N ATOM 0 H LYS A 153 -5.944 1.298 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.199 1.025 -4.355 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.142 0.497 -6.126 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.658 2.035 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.459 1.264 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.524 -0.035 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.800 -1.136 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.421 -1.063 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.595 -0.316 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -4.765 1.118 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.107 1.123 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.640 1.843 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -2.075 0.293 -9.828 1.00 0.00 H new ATOM 336 N ASP A 154 -4.108 4.116 -4.987 1.00 0.00 N ATOM 337 CA ASP A 154 -3.595 5.475 -5.066 1.00 0.00 C ATOM 338 C ASP A 154 -3.119 5.951 -3.696 1.00 0.00 C ATOM 339 O ASP A 154 -2.015 6.471 -3.563 1.00 0.00 O ATOM 340 CB ASP A 154 -4.681 6.415 -5.588 1.00 0.00 C ATOM 341 CG ASP A 154 -5.007 6.080 -7.039 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.359 6.631 -7.914 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.901 5.279 -7.255 1.00 0.00 O ATOM 0 H ASP A 154 -5.125 4.040 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.749 5.483 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.578 6.324 -4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.346 7.449 -5.511 1.00 0.00 H new ATOM 348 N GLU A 155 -3.961 5.769 -2.681 1.00 0.00 N ATOM 349 CA GLU A 155 -3.618 6.193 -1.326 1.00 0.00 C ATOM 350 C GLU A 155 -2.321 5.533 -0.853 1.00 0.00 C ATOM 351 O GLU A 155 -1.401 6.216 -0.404 1.00 0.00 O ATOM 352 CB GLU A 155 -4.771 5.858 -0.367 1.00 0.00 C ATOM 353 CG GLU A 155 -4.332 6.058 1.098 1.00 0.00 C ATOM 354 CD GLU A 155 -5.533 6.422 1.969 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.611 5.919 1.697 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.356 7.198 2.894 1.00 0.00 O ATOM 0 H GLU A 155 -4.879 5.334 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.460 7.271 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.629 6.493 -0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.090 4.827 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.866 5.146 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.581 6.846 1.155 1.00 0.00 H new ATOM 363 N ALA A 156 -2.243 4.209 -0.963 1.00 0.00 N ATOM 364 CA ALA A 156 -1.038 3.498 -0.545 1.00 0.00 C ATOM 365 C ALA A 156 0.167 4.085 -1.263 1.00 0.00 C ATOM 366 O ALA A 156 1.271 4.122 -0.723 1.00 0.00 O ATOM 367 CB ALA A 156 -1.159 2.004 -0.866 1.00 0.00 C ATOM 0 H ALA A 156 -2.986 3.615 -1.331 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.914 3.611 0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.253 1.489 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.017 1.587 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.294 1.872 -1.940 1.00 0.00 H new ATOM 373 N GLY A 157 -0.063 4.557 -2.484 1.00 0.00 N ATOM 374 CA GLY A 157 1.005 5.159 -3.272 1.00 0.00 C ATOM 375 C GLY A 157 1.488 6.454 -2.623 1.00 0.00 C ATOM 376 O GLY A 157 2.689 6.656 -2.446 1.00 0.00 O ATOM 0 H GLY A 157 -0.972 4.535 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.836 4.459 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.649 5.363 -4.282 1.00 0.00 H new ATOM 380 N LYS A 158 0.547 7.328 -2.270 1.00 0.00 N ATOM 381 CA LYS A 158 0.897 8.598 -1.644 1.00 0.00 C ATOM 382 C LYS A 158 1.511 8.373 -0.265 1.00 0.00 C ATOM 383 O LYS A 158 2.423 9.091 0.136 1.00 0.00 O ATOM 384 CB LYS A 158 -0.344 9.489 -1.500 1.00 0.00 C ATOM 385 CG LYS A 158 -1.136 9.510 -2.818 1.00 0.00 C ATOM 386 CD LYS A 158 -1.969 10.795 -2.909 1.00 0.00 C ATOM 387 CE LYS A 158 -2.996 10.817 -1.774 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.977 11.913 -2.015 1.00 0.00 N ATOM 0 H LYS A 158 -0.453 7.181 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 158 1.627 9.092 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -0.976 9.118 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.045 10.502 -1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.452 9.450 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.789 8.639 -2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.319 11.668 -2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.475 10.846 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.512 9.858 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.495 10.967 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.676 11.929 -1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.478 12.825 -2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.463 11.751 -2.920 1.00 0.00 H new ATOM 402 N GLN A 159 0.999 7.382 0.461 1.00 0.00 N ATOM 403 CA GLN A 159 1.513 7.096 1.798 1.00 0.00 C ATOM 404 C GLN A 159 3.010 6.790 1.740 1.00 0.00 C ATOM 405 O GLN A 159 3.779 7.234 2.591 1.00 0.00 O ATOM 406 CB GLN A 159 0.749 5.905 2.422 1.00 0.00 C ATOM 407 CG GLN A 159 0.624 6.098 3.941 1.00 0.00 C ATOM 408 CD GLN A 159 -0.477 7.107 4.252 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.208 8.168 4.814 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.709 6.836 3.918 1.00 0.00 N ATOM 0 H GLN A 159 0.241 6.773 0.153 1.00 0.00 H new ATOM 0 HA GLN A 159 1.362 7.976 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.242 5.824 1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.273 4.974 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.400 5.145 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.573 6.445 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.929 5.956 3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.452 7.504 4.123 1.00 0.00 H new ATOM 419 N CYS A 160 3.411 6.021 0.736 1.00 0.00 N ATOM 420 CA CYS A 160 4.812 5.655 0.575 1.00 0.00 C ATOM 421 C CYS A 160 5.623 6.817 0.008 1.00 0.00 C ATOM 422 O CYS A 160 6.729 7.097 0.468 1.00 0.00 O ATOM 423 CB CYS A 160 4.920 4.455 -0.361 1.00 0.00 C ATOM 424 SG CYS A 160 6.575 3.737 -0.233 1.00 0.00 S ATOM 0 H CYS A 160 2.789 5.640 0.023 1.00 0.00 H new ATOM 0 HA CYS A 160 5.215 5.402 1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.168 3.710 -0.102 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.724 4.763 -1.388 1.00 0.00 H new ATOM 429 N LYS A 161 5.070 7.479 -1.002 1.00 0.00 N ATOM 430 CA LYS A 161 5.754 8.599 -1.637 1.00 0.00 C ATOM 431 C LYS A 161 5.996 9.730 -0.641 1.00 0.00 C ATOM 432 O LYS A 161 7.117 10.218 -0.507 1.00 0.00 O ATOM 433 CB LYS A 161 4.921 9.122 -2.812 1.00 0.00 C ATOM 434 CG LYS A 161 4.832 8.055 -3.920 1.00 0.00 C ATOM 435 CD LYS A 161 6.067 8.120 -4.829 1.00 0.00 C ATOM 436 CE LYS A 161 5.870 7.181 -6.020 1.00 0.00 C ATOM 437 NZ LYS A 161 7.044 7.281 -6.932 1.00 0.00 N ATOM 0 H LYS A 161 4.155 7.261 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 161 6.719 8.244 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.920 9.384 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.371 10.032 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 161 4.754 7.064 -3.473 1.00 0.00 H new ATOM 0 HG3 LYS A 161 3.929 8.210 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 161 6.222 9.141 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 161 6.959 7.835 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 161 5.753 6.155 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 161 4.957 7.442 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 6.910 6.642 -7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 7.136 8.259 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 7.907 7.012 -6.418 1.00 0.00 H new ATOM 451 N THR A 162 4.942 10.144 0.051 1.00 0.00 N ATOM 452 CA THR A 162 5.065 11.223 1.025 1.00 0.00 C ATOM 453 C THR A 162 6.030 10.827 2.139 1.00 0.00 C ATOM 454 O THR A 162 6.703 11.679 2.722 1.00 0.00 O ATOM 455 CB THR A 162 3.689 11.570 1.614 1.00 0.00 C ATOM 456 OG1 THR A 162 3.771 12.815 2.294 1.00 0.00 O ATOM 457 CG2 THR A 162 3.243 10.482 2.594 1.00 0.00 C ATOM 0 H THR A 162 4.003 9.755 -0.041 1.00 0.00 H new ATOM 0 HA THR A 162 5.461 12.103 0.518 1.00 0.00 H new ATOM 0 HB THR A 162 2.961 11.636 0.805 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.895 13.041 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.267 10.740 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.177 9.527 2.072 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.968 10.403 3.404 1.00 0.00 H new ATOM 465 N LYS A 163 6.097 9.530 2.425 1.00 0.00 N ATOM 466 CA LYS A 163 6.988 9.035 3.466 1.00 0.00 C ATOM 467 C LYS A 163 8.426 9.005 2.960 1.00 0.00 C ATOM 468 O LYS A 163 8.669 8.894 1.758 1.00 0.00 O ATOM 469 CB LYS A 163 6.558 7.626 3.899 1.00 0.00 C ATOM 470 CG LYS A 163 5.352 7.722 4.850 1.00 0.00 C ATOM 471 CD LYS A 163 5.799 8.184 6.272 1.00 0.00 C ATOM 472 CE LYS A 163 5.108 9.502 6.657 1.00 0.00 C ATOM 473 NZ LYS A 163 5.308 9.758 8.112 1.00 0.00 N ATOM 0 H LYS A 163 5.550 8.809 1.954 1.00 0.00 H new ATOM 0 HA LYS A 163 6.930 9.705 4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.297 7.030 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.386 7.119 4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.622 8.424 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.858 6.752 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.556 7.413 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.881 8.315 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.518 10.325 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 163 4.044 9.448 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.841 10.649 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 4.897 8.977 8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.326 9.827 8.316 1.00 0.00 H new ATOM 487 N LYS A 164 9.374 9.114 3.885 1.00 0.00 N ATOM 488 CA LYS A 164 10.792 9.107 3.529 1.00 0.00 C ATOM 489 C LYS A 164 11.615 8.429 4.619 1.00 0.00 C ATOM 490 O LYS A 164 11.136 8.220 5.733 1.00 0.00 O ATOM 491 CB LYS A 164 11.288 10.546 3.338 1.00 0.00 C ATOM 492 CG LYS A 164 10.825 11.434 4.516 1.00 0.00 C ATOM 493 CD LYS A 164 9.493 12.126 4.187 1.00 0.00 C ATOM 494 CE LYS A 164 9.150 13.122 5.298 1.00 0.00 C ATOM 495 NZ LYS A 164 10.233 14.140 5.401 1.00 0.00 N ATOM 0 H LYS A 164 9.189 9.208 4.884 1.00 0.00 H new ATOM 0 HA LYS A 164 10.911 8.551 2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.376 10.557 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.907 10.948 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.712 10.826 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.586 12.184 4.733 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.565 12.643 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.700 11.385 4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.198 13.608 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 164 9.035 12.599 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 9.815 15.075 5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 10.873 13.889 6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 10.769 14.168 4.510 1.00 0.00 H new ATOM 509 N SER A 165 12.857 8.095 4.287 1.00 0.00 N ATOM 510 CA SER A 165 13.745 7.448 5.243 1.00 0.00 C ATOM 511 C SER A 165 14.315 8.477 6.217 1.00 0.00 C ATOM 512 O SER A 165 13.927 9.645 6.192 1.00 0.00 O ATOM 513 CB SER A 165 14.887 6.748 4.503 1.00 0.00 C ATOM 514 OG SER A 165 15.908 6.401 5.429 1.00 0.00 O ATOM 0 H SER A 165 13.269 8.261 3.369 1.00 0.00 H new ATOM 0 HA SER A 165 13.174 6.709 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.516 5.854 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.289 7.403 3.730 1.00 0.00 H new ATOM 0 HG SER A 165 16.639 5.951 4.956 1.00 0.00 H new ATOM 520 N LYS A 166 15.231 8.038 7.073 1.00 0.00 N ATOM 521 CA LYS A 166 15.840 8.935 8.048 1.00 0.00 C ATOM 522 C LYS A 166 16.624 10.041 7.346 1.00 0.00 C ATOM 523 O LYS A 166 16.720 11.161 7.849 1.00 0.00 O ATOM 524 CB LYS A 166 16.778 8.148 8.969 1.00 0.00 C ATOM 525 CG LYS A 166 15.996 7.042 9.697 1.00 0.00 C ATOM 526 CD LYS A 166 15.287 7.613 10.931 1.00 0.00 C ATOM 527 CE LYS A 166 14.663 6.468 11.733 1.00 0.00 C ATOM 528 NZ LYS A 166 14.047 7.010 12.978 1.00 0.00 N ATOM 0 H LYS A 166 15.566 7.075 7.112 1.00 0.00 H new ATOM 0 HA LYS A 166 15.045 9.389 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.588 7.709 8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.235 8.820 9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.264 6.600 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.676 6.244 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.996 8.161 11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.516 8.321 10.626 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.909 5.959 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 166 15.424 5.728 11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 13.623 6.232 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.778 7.477 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.310 7.700 12.729 1.00 0.00 H new ATOM 542 N GLY A 167 17.183 9.719 6.181 1.00 0.00 N ATOM 543 CA GLY A 167 17.960 10.690 5.415 1.00 0.00 C ATOM 544 C GLY A 167 17.077 11.447 4.428 1.00 0.00 C ATOM 545 O GLY A 167 17.525 11.826 3.346 1.00 0.00 O ATOM 0 H GLY A 167 17.113 8.798 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.438 11.395 6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.757 10.178 4.876 1.00 0.00 H new ATOM 549 N ASN A 168 15.821 11.665 4.804 1.00 0.00 N ATOM 550 CA ASN A 168 14.887 12.378 3.938 1.00 0.00 C ATOM 551 C ASN A 168 14.973 11.849 2.510 1.00 0.00 C ATOM 552 O ASN A 168 14.944 12.618 1.548 1.00 0.00 O ATOM 553 CB ASN A 168 15.203 13.874 3.951 1.00 0.00 C ATOM 554 CG ASN A 168 15.109 14.415 5.374 1.00 0.00 C ATOM 555 OD1 ASN A 168 16.070 14.989 5.886 1.00 0.00 O ATOM 556 ND2 ASN A 168 14.000 14.265 6.046 1.00 0.00 N ATOM 0 H ASN A 168 15.428 11.361 5.695 1.00 0.00 H new ATOM 0 HA ASN A 168 13.876 12.218 4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 168 16.203 14.046 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 168 14.506 14.407 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 168 13.928 14.624 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 168 13.205 13.789 5.619 1.00 0.00 H new ATOM 563 N LYS A 169 15.083 10.529 2.382 1.00 0.00 N ATOM 564 CA LYS A 169 15.178 9.894 1.068 1.00 0.00 C ATOM 565 C LYS A 169 13.776 9.654 0.496 1.00 0.00 C ATOM 566 O LYS A 169 12.789 10.176 1.014 1.00 0.00 O ATOM 567 CB LYS A 169 15.952 8.560 1.204 1.00 0.00 C ATOM 568 CG LYS A 169 16.936 8.378 0.034 1.00 0.00 C ATOM 569 CD LYS A 169 17.373 6.912 -0.046 1.00 0.00 C ATOM 570 CE LYS A 169 18.328 6.728 -1.227 1.00 0.00 C ATOM 571 NZ LYS A 169 17.574 6.876 -2.504 1.00 0.00 N ATOM 0 H LYS A 169 15.109 9.880 3.168 1.00 0.00 H new ATOM 0 HA LYS A 169 15.715 10.548 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.496 8.544 2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.249 7.727 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.464 8.679 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.806 9.020 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 169 17.863 6.617 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 169 16.502 6.268 -0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 169 19.130 7.465 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 169 18.796 5.745 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 18.140 6.492 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 16.675 6.357 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 17.380 7.883 -2.678 1.00 0.00 H new ATOM 585 N ASP A 170 13.695 8.865 -0.576 1.00 0.00 N ATOM 586 CA ASP A 170 12.413 8.562 -1.216 1.00 0.00 C ATOM 587 C ASP A 170 12.256 7.055 -1.397 1.00 0.00 C ATOM 588 O ASP A 170 13.243 6.320 -1.442 1.00 0.00 O ATOM 589 CB ASP A 170 12.342 9.248 -2.581 1.00 0.00 C ATOM 590 CG ASP A 170 10.908 9.230 -3.101 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.003 9.326 -2.289 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.736 9.122 -4.303 1.00 0.00 O ATOM 0 H ASP A 170 14.501 8.424 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 170 11.608 8.930 -0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.695 10.276 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.000 8.741 -3.287 1.00 0.00 H new ATOM 597 N MET A 171 11.008 6.600 -1.496 1.00 0.00 N ATOM 598 CA MET A 171 10.730 5.173 -1.668 1.00 0.00 C ATOM 599 C MET A 171 9.460 4.963 -2.486 1.00 0.00 C ATOM 600 O MET A 171 8.459 5.650 -2.286 1.00 0.00 O ATOM 601 CB MET A 171 10.558 4.502 -0.301 1.00 0.00 C ATOM 602 CG MET A 171 11.781 4.789 0.575 1.00 0.00 C ATOM 603 SD MET A 171 11.706 3.765 2.070 1.00 0.00 S ATOM 604 CE MET A 171 11.923 2.148 1.281 1.00 0.00 C ATOM 0 H MET A 171 10.178 7.192 -1.461 1.00 0.00 H new ATOM 0 HA MET A 171 11.573 4.727 -2.196 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.656 4.873 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.433 3.426 -0.427 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.696 4.577 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.809 5.845 0.845 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.224 1.415 2.030 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.983 1.836 0.825 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.693 2.218 0.513 1.00 0.00 H new ATOM 614 N ILE A 172 9.507 3.994 -3.399 1.00 0.00 N ATOM 615 CA ILE A 172 8.353 3.675 -4.237 1.00 0.00 C ATOM 616 C ILE A 172 7.529 2.583 -3.571 1.00 0.00 C ATOM 617 O ILE A 172 7.795 2.212 -2.432 1.00 0.00 O ATOM 618 CB ILE A 172 8.818 3.205 -5.625 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.625 1.900 -5.516 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.704 4.283 -6.253 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.911 1.363 -6.921 1.00 0.00 C ATOM 0 H ILE A 172 10.330 3.418 -3.577 1.00 0.00 H new ATOM 0 HA ILE A 172 7.742 4.569 -4.357 1.00 0.00 H new ATOM 0 HB ILE A 172 7.938 3.027 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.560 2.080 -4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.068 1.162 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.036 3.953 -7.238 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.136 5.208 -6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.572 4.457 -5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.483 0.438 -6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.970 1.168 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.484 2.100 -7.483 1.00 0.00 H new ATOM 633 N VAL A 173 6.544 2.052 -4.296 1.00 0.00 N ATOM 634 CA VAL A 173 5.701 0.972 -3.775 1.00 0.00 C ATOM 635 C VAL A 173 5.952 -0.299 -4.579 1.00 0.00 C ATOM 636 O VAL A 173 5.565 -0.404 -5.741 1.00 0.00 O ATOM 637 CB VAL A 173 4.219 1.365 -3.847 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.345 0.148 -3.520 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.933 2.485 -2.832 1.00 0.00 C ATOM 0 H VAL A 173 6.310 2.350 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 173 5.955 0.793 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 173 3.990 1.717 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.294 0.431 -3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.543 -0.646 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.576 -0.207 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.880 2.763 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.166 2.133 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.550 3.353 -3.065 1.00 0.00 H new ATOM 649 N ARG A 174 6.624 -1.251 -3.945 1.00 0.00 N ATOM 650 CA ARG A 174 6.957 -2.513 -4.591 1.00 0.00 C ATOM 651 C ARG A 174 5.722 -3.414 -4.698 1.00 0.00 C ATOM 652 O ARG A 174 5.349 -3.834 -5.793 1.00 0.00 O ATOM 653 CB ARG A 174 8.088 -3.197 -3.789 1.00 0.00 C ATOM 654 CG ARG A 174 8.025 -4.728 -3.920 1.00 0.00 C ATOM 655 CD ARG A 174 9.379 -5.334 -3.539 1.00 0.00 C ATOM 656 NE ARG A 174 9.293 -6.790 -3.522 1.00 0.00 N ATOM 657 CZ ARG A 174 9.232 -7.488 -4.651 1.00 0.00 C ATOM 658 NH1 ARG A 174 9.247 -6.872 -5.801 1.00 0.00 N ATOM 659 NH2 ARG A 174 9.157 -8.790 -4.610 1.00 0.00 N ATOM 0 H ARG A 174 6.950 -1.172 -2.982 1.00 0.00 H new ATOM 0 HA ARG A 174 7.302 -2.326 -5.608 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.055 -2.840 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.011 -2.917 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.243 -5.126 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.766 -5.005 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.141 -5.016 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.686 -4.969 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 174 9.279 -7.281 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.306 -5.854 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.200 -7.408 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.145 -9.272 -3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 174 9.110 -9.326 -5.477 1.00 0.00 H new ATOM 673 N SER A 175 5.098 -3.711 -3.557 1.00 0.00 N ATOM 674 CA SER A 175 3.909 -4.573 -3.535 1.00 0.00 C ATOM 675 C SER A 175 2.681 -3.794 -3.073 1.00 0.00 C ATOM 676 O SER A 175 2.800 -2.692 -2.537 1.00 0.00 O ATOM 677 CB SER A 175 4.145 -5.756 -2.594 1.00 0.00 C ATOM 678 OG SER A 175 3.215 -6.787 -2.894 1.00 0.00 O ATOM 0 H SER A 175 5.391 -3.372 -2.641 1.00 0.00 H new ATOM 0 HA SER A 175 3.731 -4.936 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.164 -6.126 -2.705 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.032 -5.439 -1.557 1.00 0.00 H new ATOM 0 HG SER A 175 3.365 -7.547 -2.294 1.00 0.00 H new ATOM 684 N PHE A 176 1.504 -4.376 -3.282 1.00 0.00 N ATOM 685 CA PHE A 176 0.265 -3.726 -2.878 1.00 0.00 C ATOM 686 C PHE A 176 -0.913 -4.697 -2.980 1.00 0.00 C ATOM 687 O PHE A 176 -1.090 -5.382 -3.988 1.00 0.00 O ATOM 688 CB PHE A 176 0.039 -2.472 -3.749 1.00 0.00 C ATOM 689 CG PHE A 176 -1.423 -2.071 -3.761 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.940 -1.289 -2.727 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.261 -2.486 -4.803 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.284 -0.925 -2.724 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.612 -2.118 -4.803 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.123 -1.338 -3.759 1.00 0.00 C ATOM 0 H PHE A 176 1.384 -5.287 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 176 0.340 -3.418 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.642 -1.648 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.374 -2.668 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.294 -0.964 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.866 -3.090 -5.606 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.677 -0.322 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.259 -2.436 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.166 -1.056 -3.755 1.00 0.00 H new ATOM 704 N ALA A 177 -1.713 -4.738 -1.918 1.00 0.00 N ATOM 705 CA ALA A 177 -2.883 -5.614 -1.864 1.00 0.00 C ATOM 706 C ALA A 177 -3.766 -5.210 -0.688 1.00 0.00 C ATOM 707 O ALA A 177 -3.256 -4.859 0.367 1.00 0.00 O ATOM 708 CB ALA A 177 -2.442 -7.069 -1.693 1.00 0.00 C ATOM 0 H ALA A 177 -1.573 -4.174 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.443 -5.518 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.320 -7.713 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.815 -7.361 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.876 -7.171 -0.767 1.00 0.00 H new ATOM 714 N VAL A 178 -5.084 -5.252 -0.869 1.00 0.00 N ATOM 715 CA VAL A 178 -5.989 -4.857 0.210 1.00 0.00 C ATOM 716 C VAL A 178 -5.930 -5.852 1.365 1.00 0.00 C ATOM 717 O VAL A 178 -5.403 -6.956 1.219 1.00 0.00 O ATOM 718 CB VAL A 178 -7.427 -4.723 -0.303 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.512 -3.534 -1.267 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.853 -6.007 -1.026 1.00 0.00 C ATOM 0 H VAL A 178 -5.542 -5.548 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.662 -3.884 0.577 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.095 -4.559 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.534 -3.436 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.224 -2.621 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.839 -3.699 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.876 -5.900 -1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.188 -6.186 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.798 -6.849 -0.336 1.00 0.00 H new ATOM 730 N LEU A 179 -6.445 -5.439 2.529 1.00 0.00 N ATOM 731 CA LEU A 179 -6.415 -6.285 3.728 1.00 0.00 C ATOM 732 C LEU A 179 -7.811 -6.744 4.146 1.00 0.00 C ATOM 733 O LEU A 179 -8.339 -7.728 3.628 1.00 0.00 O ATOM 734 CB LEU A 179 -5.785 -5.507 4.898 1.00 0.00 C ATOM 735 CG LEU A 179 -4.255 -5.394 4.733 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.671 -4.486 5.855 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.611 -6.809 4.778 1.00 0.00 C ATOM 0 H LEU A 179 -6.885 -4.529 2.666 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.822 -7.167 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.222 -4.510 4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.016 -6.008 5.838 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.027 -4.943 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.590 -4.409 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.115 -3.493 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.898 -4.920 6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.531 -6.721 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.835 -7.280 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.015 -7.419 3.970 1.00 0.00 H new ATOM 749 N GLU A 180 -8.379 -6.042 5.124 1.00 0.00 N ATOM 750 CA GLU A 180 -9.690 -6.398 5.658 1.00 0.00 C ATOM 751 C GLU A 180 -10.817 -6.048 4.679 1.00 0.00 C ATOM 752 O GLU A 180 -10.725 -5.059 3.952 1.00 0.00 O ATOM 753 CB GLU A 180 -9.922 -5.662 6.977 1.00 0.00 C ATOM 754 CG GLU A 180 -8.999 -6.237 8.052 1.00 0.00 C ATOM 755 CD GLU A 180 -8.993 -5.327 9.276 1.00 0.00 C ATOM 756 OE1 GLU A 180 -10.056 -4.853 9.643 1.00 0.00 O ATOM 757 OE2 GLU A 180 -7.926 -5.117 9.830 1.00 0.00 O ATOM 0 H GLU A 180 -7.953 -5.225 5.562 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.703 -7.476 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.730 -4.597 6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.963 -5.764 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.333 -7.236 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -7.987 -6.338 7.659 1.00 0.00 H new ATOM 764 N PRO A 181 -11.882 -6.826 4.650 1.00 0.00 N ATOM 765 CA PRO A 181 -13.043 -6.568 3.746 1.00 0.00 C ATOM 766 C PRO A 181 -13.992 -5.491 4.287 1.00 0.00 C ATOM 767 O PRO A 181 -14.201 -5.371 5.494 1.00 0.00 O ATOM 768 CB PRO A 181 -13.744 -7.926 3.702 1.00 0.00 C ATOM 769 CG PRO A 181 -13.521 -8.485 5.066 1.00 0.00 C ATOM 770 CD PRO A 181 -12.108 -8.044 5.461 1.00 0.00 C ATOM 0 HA PRO A 181 -12.729 -6.192 2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.806 -7.821 3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.321 -8.570 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.262 -8.108 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.607 -9.572 5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.038 -7.833 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.371 -8.816 5.239 1.00 0.00 H new ATOM 778 N CYS A 182 -14.567 -4.733 3.363 1.00 0.00 N ATOM 779 CA CYS A 182 -15.520 -3.663 3.678 1.00 0.00 C ATOM 780 C CYS A 182 -16.713 -3.793 2.733 1.00 0.00 C ATOM 781 O CYS A 182 -16.845 -4.809 2.052 1.00 0.00 O ATOM 782 CB CYS A 182 -14.856 -2.289 3.527 1.00 0.00 C ATOM 783 SG CYS A 182 -15.684 -1.049 4.547 1.00 0.00 S ATOM 0 H CYS A 182 -14.388 -4.840 2.365 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.854 -3.753 4.711 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.806 -2.356 3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.884 -1.981 2.482 1.00 0.00 H new ATOM 788 N ALA A 183 -17.587 -2.788 2.718 1.00 0.00 N ATOM 789 CA ALA A 183 -18.780 -2.818 1.861 1.00 0.00 C ATOM 790 C ALA A 183 -18.505 -3.522 0.524 1.00 0.00 C ATOM 791 O ALA A 183 -17.353 -3.686 0.123 1.00 0.00 O ATOM 792 CB ALA A 183 -19.253 -1.389 1.588 1.00 0.00 C ATOM 0 H ALA A 183 -17.496 -1.945 3.285 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.552 -3.379 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.138 -1.414 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.497 -0.900 2.531 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.461 -0.833 1.086 1.00 0.00 H new ATOM 798 N LEU A 184 -19.591 -3.943 -0.137 1.00 0.00 N ATOM 799 CA LEU A 184 -19.533 -4.665 -1.422 1.00 0.00 C ATOM 800 C LEU A 184 -18.169 -4.564 -2.115 1.00 0.00 C ATOM 801 O LEU A 184 -17.463 -5.565 -2.244 1.00 0.00 O ATOM 802 CB LEU A 184 -20.632 -4.116 -2.352 1.00 0.00 C ATOM 803 CG LEU A 184 -21.092 -5.182 -3.370 1.00 0.00 C ATOM 804 CD1 LEU A 184 -19.887 -5.721 -4.150 1.00 0.00 C ATOM 805 CD2 LEU A 184 -21.819 -6.345 -2.656 1.00 0.00 C ATOM 0 H LEU A 184 -20.541 -3.793 0.203 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.692 -5.722 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.484 -3.787 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.258 -3.241 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.788 -4.713 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -20.223 -6.472 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -19.403 -4.903 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -19.177 -6.172 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -22.134 -7.084 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -21.143 -6.812 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -22.693 -5.960 -2.131 1.00 0.00 H new ATOM 817 N ASP A 185 -17.805 -3.362 -2.567 1.00 0.00 N ATOM 818 CA ASP A 185 -16.521 -3.157 -3.255 1.00 0.00 C ATOM 819 C ASP A 185 -15.658 -2.166 -2.488 1.00 0.00 C ATOM 820 O ASP A 185 -15.415 -1.053 -2.953 1.00 0.00 O ATOM 821 CB ASP A 185 -16.774 -2.624 -4.667 1.00 0.00 C ATOM 822 CG ASP A 185 -15.470 -2.599 -5.457 1.00 0.00 C ATOM 823 OD1 ASP A 185 -14.656 -3.482 -5.245 1.00 0.00 O ATOM 824 OD2 ASP A 185 -15.304 -1.697 -6.261 1.00 0.00 O ATOM 0 H ASP A 185 -18.373 -2.520 -2.472 1.00 0.00 H new ATOM 0 HA ASP A 185 -15.998 -4.112 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -17.505 -3.252 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.197 -1.621 -4.615 1.00 0.00 H new ATOM 829 N MET A 186 -15.204 -2.576 -1.309 1.00 0.00 N ATOM 830 CA MET A 186 -14.378 -1.712 -0.472 1.00 0.00 C ATOM 831 C MET A 186 -13.569 -2.530 0.532 1.00 0.00 C ATOM 832 O MET A 186 -13.880 -3.692 0.794 1.00 0.00 O ATOM 833 CB MET A 186 -15.266 -0.700 0.269 1.00 0.00 C ATOM 834 CG MET A 186 -15.806 0.359 -0.699 1.00 0.00 C ATOM 835 SD MET A 186 -16.340 1.808 0.245 1.00 0.00 S ATOM 836 CE MET A 186 -15.974 3.055 -1.015 1.00 0.00 C ATOM 0 H MET A 186 -15.392 -3.497 -0.912 1.00 0.00 H new ATOM 0 HA MET A 186 -13.679 -1.178 -1.116 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.096 -1.219 0.747 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.693 -0.217 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.035 0.641 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.641 -0.046 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.132 4.050 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.937 2.956 -1.335 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.633 2.911 -1.871 1.00 0.00 H new ATOM 846 N PHE A 187 -12.527 -1.910 1.097 1.00 0.00 N ATOM 847 CA PHE A 187 -11.667 -2.578 2.085 1.00 0.00 C ATOM 848 C PHE A 187 -11.410 -1.668 3.291 1.00 0.00 C ATOM 849 O PHE A 187 -11.112 -0.483 3.134 1.00 0.00 O ATOM 850 CB PHE A 187 -10.349 -2.959 1.419 1.00 0.00 C ATOM 851 CG PHE A 187 -10.666 -3.892 0.282 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.786 -5.263 0.520 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.872 -3.381 -1.005 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.109 -6.130 -0.528 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.197 -4.246 -2.054 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.316 -5.622 -1.817 1.00 0.00 C ATOM 0 H PHE A 187 -12.258 -0.948 0.889 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.169 -3.475 2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.834 -2.071 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.683 -3.441 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.629 -5.654 1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.780 -2.320 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.199 -7.190 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.356 -3.854 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.567 -6.290 -2.627 1.00 0.00 H new ATOM 866 N THR A 188 -11.557 -2.230 4.494 1.00 0.00 N ATOM 867 CA THR A 188 -11.368 -1.457 5.724 1.00 0.00 C ATOM 868 C THR A 188 -9.904 -1.057 5.904 1.00 0.00 C ATOM 869 O THR A 188 -9.592 -0.152 6.677 1.00 0.00 O ATOM 870 CB THR A 188 -11.836 -2.255 6.971 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.706 -2.686 7.718 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.655 -3.480 6.556 1.00 0.00 C ATOM 0 H THR A 188 -11.804 -3.209 4.642 1.00 0.00 H new ATOM 0 HA THR A 188 -11.976 -0.557 5.630 1.00 0.00 H new ATOM 0 HB THR A 188 -12.459 -1.601 7.580 1.00 0.00 H new ATOM 0 HG1 THR A 188 -10.950 -3.465 8.260 1.00 0.00 H new ATOM 0 HG21 THR A 188 -12.972 -4.024 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.533 -3.158 5.995 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.044 -4.131 5.931 1.00 0.00 H new ATOM 880 N GLY A 189 -9.009 -1.741 5.201 1.00 0.00 N ATOM 881 CA GLY A 189 -7.587 -1.449 5.311 1.00 0.00 C ATOM 882 C GLY A 189 -6.811 -2.055 4.154 1.00 0.00 C ATOM 883 O GLY A 189 -7.313 -2.933 3.452 1.00 0.00 O ATOM 0 H GLY A 189 -9.241 -2.495 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.435 -0.370 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.204 -1.840 6.254 1.00 0.00 H new ATOM 887 N VAL A 190 -5.582 -1.578 3.951 1.00 0.00 N ATOM 888 CA VAL A 190 -4.749 -2.086 2.860 1.00 0.00 C ATOM 889 C VAL A 190 -3.278 -2.178 3.261 1.00 0.00 C ATOM 890 O VAL A 190 -2.765 -1.335 3.996 1.00 0.00 O ATOM 891 CB VAL A 190 -4.903 -1.174 1.629 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.462 0.253 1.985 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.056 -1.704 0.440 1.00 0.00 C ATOM 0 H VAL A 190 -5.146 -0.851 4.519 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.086 -3.095 2.621 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.951 -1.169 1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.572 0.896 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.082 0.634 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.418 0.244 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.181 -1.044 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.005 -1.732 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.387 -2.708 0.176 1.00 0.00 H new ATOM 903 N GLU A 191 -2.603 -3.213 2.755 1.00 0.00 N ATOM 904 CA GLU A 191 -1.181 -3.428 3.035 1.00 0.00 C ATOM 905 C GLU A 191 -0.361 -3.214 1.766 1.00 0.00 C ATOM 906 O GLU A 191 -0.771 -3.618 0.679 1.00 0.00 O ATOM 907 CB GLU A 191 -0.962 -4.847 3.581 1.00 0.00 C ATOM 908 CG GLU A 191 -1.198 -5.912 2.501 1.00 0.00 C ATOM 909 CD GLU A 191 -0.917 -7.297 3.074 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.054 -7.398 3.930 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.569 -8.237 2.649 1.00 0.00 O ATOM 0 H GLU A 191 -3.020 -3.918 2.147 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.853 -2.710 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.054 -4.937 3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.636 -5.023 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.226 -5.858 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.551 -5.724 1.644 1.00 0.00 H new ATOM 918 N PHE A 192 0.804 -2.583 1.907 1.00 0.00 N ATOM 919 CA PHE A 192 1.669 -2.335 0.756 1.00 0.00 C ATOM 920 C PHE A 192 3.129 -2.249 1.179 1.00 0.00 C ATOM 921 O PHE A 192 3.446 -1.780 2.273 1.00 0.00 O ATOM 922 CB PHE A 192 1.263 -1.045 0.038 1.00 0.00 C ATOM 923 CG PHE A 192 1.139 0.102 1.017 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.056 0.152 1.905 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.095 1.127 1.022 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.067 1.221 2.800 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.969 2.197 1.914 1.00 0.00 C ATOM 928 CZ PHE A 192 0.890 2.243 2.803 1.00 0.00 C ATOM 0 H PHE A 192 1.167 -2.238 2.796 1.00 0.00 H new ATOM 0 HA PHE A 192 1.552 -3.174 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 192 2.003 -0.800 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.313 -1.194 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.684 -0.635 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.929 1.091 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.899 1.258 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.705 2.988 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.795 3.068 3.493 1.00 0.00 H new ATOM 938 N VAL A 193 4.015 -2.713 0.300 1.00 0.00 N ATOM 939 CA VAL A 193 5.456 -2.697 0.578 1.00 0.00 C ATOM 940 C VAL A 193 6.124 -1.526 -0.129 1.00 0.00 C ATOM 941 O VAL A 193 5.687 -1.101 -1.199 1.00 0.00 O ATOM 942 CB VAL A 193 6.099 -4.005 0.105 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.620 -3.936 0.294 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.539 -5.171 0.922 1.00 0.00 C ATOM 0 H VAL A 193 3.765 -3.104 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 193 5.594 -2.591 1.654 1.00 0.00 H new ATOM 0 HB VAL A 193 5.874 -4.154 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.071 -4.869 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 193 8.022 -3.107 -0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.849 -3.783 1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.995 -6.102 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.763 -5.016 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.459 -5.226 0.785 1.00 0.00 H new ATOM 954 N CYS A 194 7.195 -1.013 0.475 1.00 0.00 N ATOM 955 CA CYS A 194 7.941 0.109 -0.097 1.00 0.00 C ATOM 956 C CYS A 194 9.382 -0.305 -0.383 1.00 0.00 C ATOM 957 O CYS A 194 9.922 -1.187 0.282 1.00 0.00 O ATOM 958 CB CYS A 194 7.940 1.288 0.877 1.00 0.00 C ATOM 959 SG CYS A 194 6.309 2.072 0.877 1.00 0.00 S ATOM 0 H CYS A 194 7.566 -1.356 1.361 1.00 0.00 H new ATOM 0 HA CYS A 194 7.460 0.405 -1.029 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.190 0.944 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.703 2.012 0.589 1.00 0.00 H new ATOM 964 N CYS A 195 10.001 0.337 -1.375 1.00 0.00 N ATOM 965 CA CYS A 195 11.387 0.024 -1.738 1.00 0.00 C ATOM 966 C CYS A 195 12.158 1.313 -2.078 1.00 0.00 C ATOM 967 O CYS A 195 11.572 2.263 -2.596 1.00 0.00 O ATOM 968 CB CYS A 195 11.392 -0.925 -2.941 1.00 0.00 C ATOM 969 SG CYS A 195 11.032 -2.608 -2.372 1.00 0.00 S ATOM 0 H CYS A 195 9.571 1.071 -1.938 1.00 0.00 H new ATOM 0 HA CYS A 195 11.879 -0.457 -0.892 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.648 -0.608 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.361 -0.896 -3.439 1.00 0.00 H new ATOM 974 N PRO A 196 13.444 1.375 -1.794 1.00 0.00 N ATOM 975 CA PRO A 196 14.273 2.589 -2.080 1.00 0.00 C ATOM 976 C PRO A 196 14.638 2.717 -3.558 1.00 0.00 C ATOM 977 O PRO A 196 15.427 3.582 -3.938 1.00 0.00 O ATOM 978 CB PRO A 196 15.523 2.360 -1.226 1.00 0.00 C ATOM 979 CG PRO A 196 15.683 0.877 -1.207 1.00 0.00 C ATOM 980 CD PRO A 196 14.262 0.309 -1.174 1.00 0.00 C ATOM 0 HA PRO A 196 13.744 3.514 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.396 2.850 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.398 2.760 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.223 0.530 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.254 0.556 -0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.191 -0.625 -1.731 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.939 0.098 -0.155 1.00 0.00 H new ATOM 988 N ASN A 197 14.064 1.854 -4.383 1.00 0.00 N ATOM 989 CA ASN A 197 14.343 1.884 -5.815 1.00 0.00 C ATOM 990 C ASN A 197 14.230 3.311 -6.348 1.00 0.00 C ATOM 991 O ASN A 197 14.856 3.598 -7.353 1.00 0.00 O ATOM 992 CB ASN A 197 13.352 0.977 -6.548 1.00 0.00 C ATOM 993 CG ASN A 197 13.755 -0.485 -6.396 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.868 -0.784 -5.963 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.908 -1.418 -6.732 1.00 0.00 N ATOM 996 OXT ASN A 197 13.520 4.095 -5.739 1.00 0.00 O ATOM 0 H ASN A 197 13.408 1.130 -4.091 1.00 0.00 H new ATOM 0 HA ASN A 197 15.359 1.527 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.349 1.127 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.319 1.243 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.167 -2.400 -6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.987 -1.166 -7.090 1.00 0.00 H new