USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 146 TYR OH : rot -73:sc= 0.339 USER MOD Single : A 151 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.5) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ -144:sc= -0.229 (180deg=-1.25!) USER MOD Single : A 167 ASN : amide:sc= -0.329 K(o=-0.33,f=-2.9!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 171:sc= -0.501 (180deg=-0.635) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -2.88 F(o=-7.6!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.346 -3.453 -6.800 1.00 0.00 N ATOM 41 CA TYR A 146 4.032 -3.539 -6.100 1.00 0.00 C ATOM 42 C TYR A 146 3.214 -2.278 -6.392 1.00 0.00 C ATOM 43 O TYR A 146 3.709 -1.173 -6.303 1.00 0.00 O ATOM 44 CB TYR A 146 4.260 -3.654 -4.592 1.00 0.00 C ATOM 45 CG TYR A 146 4.939 -4.960 -4.276 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.540 -6.133 -4.927 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.965 -5.001 -3.324 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.165 -7.348 -4.626 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.592 -6.214 -3.023 1.00 0.00 C ATOM 50 CZ TYR A 146 6.192 -7.390 -3.673 1.00 0.00 C ATOM 51 OH TYR A 146 6.809 -8.588 -3.375 1.00 0.00 O ATOM 0 HA TYR A 146 3.492 -4.417 -6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.872 -2.822 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.308 -3.592 -4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.749 -6.100 -5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.272 -4.095 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 146 4.856 -8.253 -5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.384 -6.245 -2.290 1.00 0.00 H new ATOM 0 HH TYR A 146 6.202 -9.146 -2.846 1.00 0.00 H new ATOM 61 N ARG A 147 1.965 -2.435 -6.733 1.00 0.00 N ATOM 62 CA ARG A 147 1.121 -1.243 -7.024 1.00 0.00 C ATOM 63 C ARG A 147 0.811 -0.511 -5.717 1.00 0.00 C ATOM 64 O ARG A 147 -0.101 -0.864 -4.995 1.00 0.00 O ATOM 65 CB ARG A 147 -0.186 -1.691 -7.679 1.00 0.00 C ATOM 66 CG ARG A 147 0.103 -2.209 -9.090 1.00 0.00 C ATOM 67 CD ARG A 147 -0.848 -1.542 -10.085 1.00 0.00 C ATOM 68 NE ARG A 147 -0.995 -2.409 -11.288 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.000 -2.231 -12.100 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.625 -1.086 -12.124 1.00 0.00 N ATOM 71 NH2 ARG A 147 -2.380 -3.197 -12.890 1.00 0.00 N ATOM 0 H ARG A 147 1.493 -3.335 -6.823 1.00 0.00 H new ATOM 0 HA ARG A 147 1.655 -0.574 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.655 -2.473 -7.082 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.888 -0.858 -7.722 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.137 -1.997 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.020 -3.292 -9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.820 -1.378 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.463 -0.564 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.310 -3.141 -11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.328 -0.330 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.411 -0.947 -12.759 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.891 -4.092 -12.873 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.166 -3.057 -13.525 1.00 0.00 H new ATOM 85 N GLY A 148 1.564 0.508 -5.404 1.00 0.00 N ATOM 86 CA GLY A 148 1.315 1.262 -4.143 1.00 0.00 C ATOM 87 C GLY A 148 2.601 1.315 -3.316 1.00 0.00 C ATOM 88 O GLY A 148 2.681 2.003 -2.319 1.00 0.00 O ATOM 0 H GLY A 148 2.342 0.851 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.976 2.272 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.522 0.782 -3.570 1.00 0.00 H new ATOM 92 N VAL A 149 3.610 0.592 -3.722 1.00 0.00 N ATOM 93 CA VAL A 149 4.891 0.602 -2.959 1.00 0.00 C ATOM 94 C VAL A 149 5.930 1.430 -3.714 1.00 0.00 C ATOM 95 O VAL A 149 6.386 1.057 -4.777 1.00 0.00 O ATOM 96 CB VAL A 149 5.401 -0.831 -2.801 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.641 -0.843 -1.906 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.310 -1.685 -2.159 1.00 0.00 C ATOM 0 H VAL A 149 3.602 -0.005 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 149 4.723 1.040 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 149 5.659 -1.233 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 149 7.001 -1.866 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.421 -0.230 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.386 -0.441 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.669 -2.708 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.057 -1.277 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.424 -1.681 -2.794 1.00 0.00 H new ATOM 108 N ARG A 150 6.311 2.550 -3.168 1.00 0.00 N ATOM 109 CA ARG A 150 7.324 3.403 -3.843 1.00 0.00 C ATOM 110 C ARG A 150 8.704 3.098 -3.259 1.00 0.00 C ATOM 111 O ARG A 150 8.947 3.292 -2.084 1.00 0.00 O ATOM 112 CB ARG A 150 6.986 4.878 -3.613 1.00 0.00 C ATOM 113 CG ARG A 150 5.688 5.226 -4.344 1.00 0.00 C ATOM 114 CD ARG A 150 5.994 5.547 -5.807 1.00 0.00 C ATOM 115 NE ARG A 150 5.669 4.366 -6.654 1.00 0.00 N ATOM 116 CZ ARG A 150 4.910 4.507 -7.707 1.00 0.00 C ATOM 117 NH1 ARG A 150 3.850 5.264 -7.650 1.00 0.00 N ATOM 118 NH2 ARG A 150 5.215 3.893 -8.817 1.00 0.00 N ATOM 0 H ARG A 150 5.963 2.912 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 150 7.324 3.196 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.879 5.075 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.799 5.508 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 150 4.989 4.392 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.208 6.080 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 150 5.412 6.410 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 150 7.046 5.811 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 150 6.039 3.447 -6.412 1.00 0.00 H new ATOM 0 HH11 ARG A 150 3.614 5.746 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 150 3.257 5.374 -8.473 1.00 0.00 H new ATOM 0 HH21 ARG A 150 6.046 3.303 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 150 4.622 4.003 -9.640 1.00 0.00 H new ATOM 132 N GLN A 151 9.605 2.614 -4.067 1.00 0.00 N ATOM 133 CA GLN A 151 10.966 2.293 -3.555 1.00 0.00 C ATOM 134 C GLN A 151 11.817 3.562 -3.543 1.00 0.00 C ATOM 135 O GLN A 151 11.586 4.484 -4.300 1.00 0.00 O ATOM 136 CB GLN A 151 11.613 1.244 -4.460 1.00 0.00 C ATOM 137 CG GLN A 151 11.859 1.845 -5.845 1.00 0.00 C ATOM 138 CD GLN A 151 13.329 2.254 -5.973 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.631 3.393 -6.269 1.00 0.00 O ATOM 140 NE2 GLN A 151 14.261 1.366 -5.764 1.00 0.00 N ATOM 0 H GLN A 151 9.458 2.427 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 151 10.894 1.900 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.554 0.905 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.967 0.370 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 151 11.604 1.120 -6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 151 11.215 2.712 -5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 151 14.008 0.410 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 151 15.243 1.628 -5.849 1.00 0.00 H new ATOM 149 N ARG A 152 12.799 3.622 -2.686 1.00 0.00 N ATOM 150 CA ARG A 152 13.659 4.836 -2.623 1.00 0.00 C ATOM 151 C ARG A 152 15.097 4.468 -3.002 1.00 0.00 C ATOM 152 O ARG A 152 15.498 3.328 -2.873 1.00 0.00 O ATOM 153 CB ARG A 152 13.633 5.406 -1.202 1.00 0.00 C ATOM 154 CG ARG A 152 12.201 5.806 -0.839 1.00 0.00 C ATOM 155 CD ARG A 152 12.229 6.801 0.322 1.00 0.00 C ATOM 156 NE ARG A 152 10.895 7.455 0.450 1.00 0.00 N ATOM 157 CZ ARG A 152 10.778 8.742 0.267 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.095 9.569 1.226 1.00 0.00 N ATOM 159 NH2 ARG A 152 10.344 9.202 -0.874 1.00 0.00 N ATOM 0 H ARG A 152 13.043 2.883 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 152 13.282 5.583 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.005 4.665 -0.495 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.292 6.271 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 152 11.707 6.252 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 152 11.625 4.923 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 152 12.484 6.287 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.999 7.553 0.152 1.00 0.00 H new ATOM 0 HE ARG A 152 10.073 6.896 0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 152 11.434 9.209 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 152 11.004 10.575 1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 152 10.096 8.556 -1.623 1.00 0.00 H new ATOM 0 HH22 ARG A 152 10.253 10.208 -1.017 1.00 0.00 H new ATOM 173 N PRO A 153 15.830 5.450 -3.460 1.00 0.00 N ATOM 174 CA PRO A 153 17.234 5.270 -3.871 1.00 0.00 C ATOM 175 C PRO A 153 18.148 5.217 -2.645 1.00 0.00 C ATOM 176 O PRO A 153 19.314 4.888 -2.741 1.00 0.00 O ATOM 177 CB PRO A 153 17.523 6.516 -4.712 1.00 0.00 C ATOM 178 CG PRO A 153 16.496 7.588 -4.273 1.00 0.00 C ATOM 179 CD PRO A 153 15.328 6.831 -3.612 1.00 0.00 C ATOM 0 HA PRO A 153 17.405 4.342 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.543 6.866 -4.550 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.426 6.298 -5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.946 8.293 -3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 153 16.148 8.166 -5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.065 7.267 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.432 6.863 -4.231 1.00 0.00 H new ATOM 187 N TRP A 154 17.631 5.539 -1.492 1.00 0.00 N ATOM 188 CA TRP A 154 18.471 5.507 -0.263 1.00 0.00 C ATOM 189 C TRP A 154 18.442 4.100 0.340 1.00 0.00 C ATOM 190 O TRP A 154 19.428 3.617 0.860 1.00 0.00 O ATOM 191 CB TRP A 154 17.925 6.514 0.754 1.00 0.00 C ATOM 192 CG TRP A 154 19.064 7.204 1.434 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.097 6.579 2.044 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.303 8.634 1.585 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.956 7.534 2.559 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.509 8.815 2.302 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.596 9.779 1.172 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.998 10.089 2.600 1.00 0.00 C ATOM 199 CZ3 TRP A 154 19.084 11.063 1.470 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.283 11.217 2.182 1.00 0.00 C ATOM 0 H TRP A 154 16.662 5.823 -1.348 1.00 0.00 H new ATOM 0 HA TRP A 154 19.498 5.769 -0.517 1.00 0.00 H new ATOM 0 HB2 TRP A 154 17.290 7.245 0.253 1.00 0.00 H new ATOM 0 HB3 TRP A 154 17.304 6.003 1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.230 5.510 2.117 1.00 0.00 H new ATOM 0 HE1 TRP A 154 21.814 7.318 3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.673 9.670 0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.921 10.203 3.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 18.533 11.935 1.149 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.654 12.206 2.407 1.00 0.00 H new ATOM 211 N GLY A 155 17.319 3.439 0.273 1.00 0.00 N ATOM 212 CA GLY A 155 17.230 2.064 0.840 1.00 0.00 C ATOM 213 C GLY A 155 15.957 1.937 1.678 1.00 0.00 C ATOM 214 O GLY A 155 16.007 1.696 2.867 1.00 0.00 O ATOM 0 H GLY A 155 16.460 3.791 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.223 1.328 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 155 18.105 1.856 1.456 1.00 0.00 H new ATOM 218 N LYS A 156 14.814 2.099 1.067 1.00 0.00 N ATOM 219 CA LYS A 156 13.539 1.987 1.828 1.00 0.00 C ATOM 220 C LYS A 156 12.366 1.889 0.849 1.00 0.00 C ATOM 221 O LYS A 156 12.551 1.758 -0.344 1.00 0.00 O ATOM 222 CB LYS A 156 13.362 3.224 2.713 1.00 0.00 C ATOM 223 CG LYS A 156 14.145 3.040 4.015 1.00 0.00 C ATOM 224 CD LYS A 156 13.369 3.674 5.171 1.00 0.00 C ATOM 225 CE LYS A 156 14.158 3.507 6.471 1.00 0.00 C ATOM 226 NZ LYS A 156 15.201 4.568 6.561 1.00 0.00 N ATOM 0 H LYS A 156 14.710 2.304 0.073 1.00 0.00 H new ATOM 0 HA LYS A 156 13.567 1.094 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.713 4.112 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.305 3.379 2.931 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.305 1.979 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.129 3.500 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 156 13.198 4.732 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.390 3.205 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 156 13.486 3.570 7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 156 14.623 2.522 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.737 4.454 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.848 4.488 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.747 5.503 6.550 1.00 0.00 H new ATOM 240 N PHE A 157 11.161 1.953 1.347 1.00 0.00 N ATOM 241 CA PHE A 157 9.972 1.867 0.451 1.00 0.00 C ATOM 242 C PHE A 157 8.832 2.693 1.051 1.00 0.00 C ATOM 243 O PHE A 157 9.001 3.361 2.052 1.00 0.00 O ATOM 244 CB PHE A 157 9.537 0.406 0.321 1.00 0.00 C ATOM 245 CG PHE A 157 10.473 -0.319 -0.618 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.700 -0.801 -0.146 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.115 -0.508 -1.960 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.570 -1.474 -1.015 1.00 0.00 C ATOM 249 CE2 PHE A 157 10.984 -1.181 -2.828 1.00 0.00 C ATOM 250 CZ PHE A 157 12.212 -1.664 -2.355 1.00 0.00 C ATOM 0 H PHE A 157 10.948 2.061 2.339 1.00 0.00 H new ATOM 0 HA PHE A 157 10.224 2.256 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.543 -0.074 1.299 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.515 0.352 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.976 -0.654 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.169 -0.135 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.516 -1.846 -0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.708 -1.328 -3.862 1.00 0.00 H new ATOM 0 HZ PHE A 157 12.882 -2.183 -3.024 1.00 0.00 H new ATOM 260 N ALA A 158 7.672 2.659 0.453 1.00 0.00 N ATOM 261 CA ALA A 158 6.535 3.450 1.005 1.00 0.00 C ATOM 262 C ALA A 158 5.205 2.826 0.575 1.00 0.00 C ATOM 263 O ALA A 158 4.813 2.906 -0.570 1.00 0.00 O ATOM 264 CB ALA A 158 6.613 4.884 0.480 1.00 0.00 C ATOM 0 H ALA A 158 7.463 2.122 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 158 6.596 3.450 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.783 5.464 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.555 5.335 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.557 4.877 -0.609 1.00 0.00 H new ATOM 270 N ALA A 159 4.501 2.217 1.488 1.00 0.00 N ATOM 271 CA ALA A 159 3.193 1.603 1.127 1.00 0.00 C ATOM 272 C ALA A 159 2.127 2.699 1.072 1.00 0.00 C ATOM 273 O ALA A 159 2.045 3.540 1.943 1.00 0.00 O ATOM 274 CB ALA A 159 2.809 0.566 2.183 1.00 0.00 C ATOM 0 H ALA A 159 4.774 2.118 2.466 1.00 0.00 H new ATOM 0 HA ALA A 159 3.268 1.115 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.852 0.116 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.574 -0.209 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.727 1.051 3.156 1.00 0.00 H new ATOM 280 N GLU A 160 1.315 2.703 0.049 1.00 0.00 N ATOM 281 CA GLU A 160 0.265 3.756 -0.057 1.00 0.00 C ATOM 282 C GLU A 160 -0.951 3.212 -0.810 1.00 0.00 C ATOM 283 O GLU A 160 -0.831 2.373 -1.680 1.00 0.00 O ATOM 284 CB GLU A 160 0.832 4.958 -0.814 1.00 0.00 C ATOM 285 CG GLU A 160 -0.066 6.175 -0.587 1.00 0.00 C ATOM 286 CD GLU A 160 -0.470 6.772 -1.936 1.00 0.00 C ATOM 287 OE1 GLU A 160 -1.090 6.065 -2.714 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.153 7.928 -2.171 1.00 0.00 O ATOM 0 H GLU A 160 1.333 2.026 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.042 4.058 0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.845 5.171 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.896 4.733 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.954 5.885 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.459 6.921 0.010 1.00 0.00 H new ATOM 295 N ILE A 161 -2.120 3.692 -0.483 1.00 0.00 N ATOM 296 CA ILE A 161 -3.349 3.216 -1.179 1.00 0.00 C ATOM 297 C ILE A 161 -4.297 4.400 -1.383 1.00 0.00 C ATOM 298 O ILE A 161 -4.618 5.117 -0.454 1.00 0.00 O ATOM 299 CB ILE A 161 -4.038 2.149 -0.326 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.372 1.760 -0.972 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.297 2.703 1.077 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.125 0.793 -0.053 1.00 0.00 C ATOM 0 H ILE A 161 -2.277 4.396 0.239 1.00 0.00 H new ATOM 0 HA ILE A 161 -3.083 2.787 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.396 1.271 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.974 2.651 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.196 1.294 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.788 1.942 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.350 2.980 1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.938 3.582 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.074 0.517 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.524 -0.103 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.314 1.275 0.906 1.00 0.00 H new ATOM 314 N ARG A 162 -4.749 4.617 -2.589 1.00 0.00 N ATOM 315 CA ARG A 162 -5.676 5.756 -2.838 1.00 0.00 C ATOM 316 C ARG A 162 -7.025 5.460 -2.180 1.00 0.00 C ATOM 317 O ARG A 162 -7.478 4.332 -2.150 1.00 0.00 O ATOM 318 CB ARG A 162 -5.869 5.945 -4.344 1.00 0.00 C ATOM 319 CG ARG A 162 -6.632 7.247 -4.601 1.00 0.00 C ATOM 320 CD ARG A 162 -6.048 7.952 -5.827 1.00 0.00 C ATOM 321 NE ARG A 162 -5.527 9.291 -5.430 1.00 0.00 N ATOM 322 CZ ARG A 162 -5.204 10.163 -6.347 1.00 0.00 C ATOM 323 NH1 ARG A 162 -4.841 9.758 -7.533 1.00 0.00 N ATOM 324 NH2 ARG A 162 -5.241 11.440 -6.078 1.00 0.00 N ATOM 0 H ARG A 162 -4.517 4.057 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.255 6.668 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.901 5.973 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.419 5.101 -4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -7.689 7.035 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.565 7.897 -3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -5.247 7.351 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -6.813 8.061 -6.596 1.00 0.00 H new ATOM 0 HE ARG A 162 -5.423 9.526 -4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -4.810 8.761 -7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -4.589 10.439 -8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -5.522 11.758 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.988 12.120 -6.795 1.00 0.00 H new ATOM 338 N ASP A 163 -7.671 6.461 -1.647 1.00 0.00 N ATOM 339 CA ASP A 163 -8.987 6.232 -0.986 1.00 0.00 C ATOM 340 C ASP A 163 -10.101 6.867 -1.826 1.00 0.00 C ATOM 341 O ASP A 163 -10.347 8.052 -1.728 1.00 0.00 O ATOM 342 CB ASP A 163 -8.977 6.868 0.406 1.00 0.00 C ATOM 343 CG ASP A 163 -10.185 6.372 1.202 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.150 5.959 0.579 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.125 6.413 2.420 1.00 0.00 O ATOM 0 H ASP A 163 -7.344 7.427 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.164 5.160 -0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.055 6.613 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.005 7.954 0.321 1.00 0.00 H new ATOM 350 N PRO A 164 -10.746 6.057 -2.626 1.00 0.00 N ATOM 351 CA PRO A 164 -11.844 6.515 -3.493 1.00 0.00 C ATOM 352 C PRO A 164 -13.118 6.715 -2.668 1.00 0.00 C ATOM 353 O PRO A 164 -13.970 7.513 -3.006 1.00 0.00 O ATOM 354 CB PRO A 164 -12.008 5.374 -4.500 1.00 0.00 C ATOM 355 CG PRO A 164 -11.407 4.114 -3.832 1.00 0.00 C ATOM 356 CD PRO A 164 -10.447 4.615 -2.736 1.00 0.00 C ATOM 0 HA PRO A 164 -11.644 7.471 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.059 5.220 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.493 5.602 -5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.192 3.490 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.877 3.503 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.617 4.099 -1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.406 4.444 -3.009 1.00 0.00 H new ATOM 364 N ALA A 165 -13.247 6.002 -1.583 1.00 0.00 N ATOM 365 CA ALA A 165 -14.455 6.153 -0.731 1.00 0.00 C ATOM 366 C ALA A 165 -14.424 7.521 -0.048 1.00 0.00 C ATOM 367 O ALA A 165 -15.451 8.111 0.231 1.00 0.00 O ATOM 368 CB ALA A 165 -14.473 5.052 0.332 1.00 0.00 C ATOM 0 H ALA A 165 -12.565 5.320 -1.251 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.349 6.073 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.359 5.164 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.492 4.077 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.580 5.130 0.952 1.00 0.00 H new ATOM 374 N LYS A 166 -13.254 8.031 0.225 1.00 0.00 N ATOM 375 CA LYS A 166 -13.154 9.360 0.893 1.00 0.00 C ATOM 376 C LYS A 166 -12.813 10.431 -0.146 1.00 0.00 C ATOM 377 O LYS A 166 -12.247 11.458 0.172 1.00 0.00 O ATOM 378 CB LYS A 166 -12.055 9.314 1.956 1.00 0.00 C ATOM 379 CG LYS A 166 -12.319 8.151 2.916 1.00 0.00 C ATOM 380 CD LYS A 166 -13.366 8.572 3.949 1.00 0.00 C ATOM 381 CE LYS A 166 -12.673 8.935 5.263 1.00 0.00 C ATOM 382 NZ LYS A 166 -11.950 7.743 5.792 1.00 0.00 N ATOM 0 H LYS A 166 -12.362 7.584 0.014 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.107 9.602 1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.081 9.194 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -12.028 10.254 2.506 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.669 7.280 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.395 7.861 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -13.935 9.425 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -14.077 7.762 4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -11.974 9.756 5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.408 9.280 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -12.009 7.734 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -12.384 6.877 5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -10.952 7.785 5.502 1.00 0.00 H new ATOM 396 N ASN A 167 -13.152 10.201 -1.385 1.00 0.00 N ATOM 397 CA ASN A 167 -12.848 11.209 -2.439 1.00 0.00 C ATOM 398 C ASN A 167 -11.332 11.304 -2.637 1.00 0.00 C ATOM 399 O ASN A 167 -10.722 12.317 -2.355 1.00 0.00 O ATOM 400 CB ASN A 167 -13.391 12.573 -2.010 1.00 0.00 C ATOM 401 CG ASN A 167 -14.645 12.904 -2.823 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.851 12.363 -3.890 1.00 0.00 O ATOM 403 ND2 ASN A 167 -15.498 13.776 -2.357 1.00 0.00 N ATOM 0 H ASN A 167 -13.626 9.359 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.317 10.907 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.627 12.564 -0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.633 13.342 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -16.338 14.003 -2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -15.324 14.230 -1.460 1.00 0.00 H new ATOM 410 N GLY A 168 -10.720 10.257 -3.121 1.00 0.00 N ATOM 411 CA GLY A 168 -9.244 10.290 -3.339 1.00 0.00 C ATOM 412 C GLY A 168 -8.524 10.315 -1.988 1.00 0.00 C ATOM 413 O GLY A 168 -8.464 9.326 -1.285 1.00 0.00 O ATOM 0 H GLY A 168 -11.177 9.381 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -8.932 9.417 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -8.972 11.169 -3.923 1.00 0.00 H new ATOM 417 N ALA A 169 -7.974 11.438 -1.618 1.00 0.00 N ATOM 418 CA ALA A 169 -7.261 11.521 -0.312 1.00 0.00 C ATOM 419 C ALA A 169 -6.246 10.379 -0.208 1.00 0.00 C ATOM 420 O ALA A 169 -6.497 9.368 0.418 1.00 0.00 O ATOM 421 CB ALA A 169 -8.275 11.408 0.827 1.00 0.00 C ATOM 0 H ALA A 169 -7.987 12.301 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 169 -6.739 12.475 -0.243 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.756 11.468 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.997 12.222 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.796 10.453 0.757 1.00 0.00 H new ATOM 427 N ARG A 170 -5.102 10.533 -0.816 1.00 0.00 N ATOM 428 CA ARG A 170 -4.070 9.458 -0.754 1.00 0.00 C ATOM 429 C ARG A 170 -3.914 8.977 0.691 1.00 0.00 C ATOM 430 O ARG A 170 -4.173 9.704 1.629 1.00 0.00 O ATOM 431 CB ARG A 170 -2.733 10.009 -1.253 1.00 0.00 C ATOM 432 CG ARG A 170 -2.271 11.138 -0.329 1.00 0.00 C ATOM 433 CD ARG A 170 -2.056 12.412 -1.147 1.00 0.00 C ATOM 434 NE ARG A 170 -3.104 13.412 -0.794 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.849 14.342 0.084 1.00 0.00 C ATOM 436 NH1 ARG A 170 -2.742 14.037 1.347 1.00 0.00 N ATOM 437 NH2 ARG A 170 -2.703 15.580 -0.302 1.00 0.00 N ATOM 0 H ARG A 170 -4.836 11.358 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.379 8.622 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -1.986 9.215 -1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.838 10.379 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.015 11.313 0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.346 10.855 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.066 12.822 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -2.099 12.185 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 170 -4.021 13.369 -1.239 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -2.858 13.070 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -2.543 14.766 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -2.788 15.820 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -2.504 16.308 0.384 1.00 0.00 H new ATOM 451 N VAL A 171 -3.490 7.755 0.876 1.00 0.00 N ATOM 452 CA VAL A 171 -3.317 7.228 2.260 1.00 0.00 C ATOM 453 C VAL A 171 -1.910 6.643 2.406 1.00 0.00 C ATOM 454 O VAL A 171 -1.710 5.449 2.305 1.00 0.00 O ATOM 455 CB VAL A 171 -4.371 6.145 2.521 1.00 0.00 C ATOM 456 CG1 VAL A 171 -3.947 5.265 3.701 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.706 6.817 2.845 1.00 0.00 C ATOM 0 H VAL A 171 -3.256 7.100 0.129 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.444 8.032 2.985 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.471 5.521 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.704 4.501 3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -2.994 4.787 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -3.841 5.881 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.462 6.054 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.593 7.441 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.016 7.436 2.003 1.00 0.00 H new ATOM 467 N TRP A 172 -0.935 7.477 2.648 1.00 0.00 N ATOM 468 CA TRP A 172 0.458 6.969 2.806 1.00 0.00 C ATOM 469 C TRP A 172 0.512 6.015 3.999 1.00 0.00 C ATOM 470 O TRP A 172 0.609 6.431 5.136 1.00 0.00 O ATOM 471 CB TRP A 172 1.410 8.144 3.047 1.00 0.00 C ATOM 472 CG TRP A 172 2.811 7.636 3.175 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.274 6.881 4.199 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.940 7.832 2.273 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.610 6.603 3.983 1.00 0.00 N ATOM 476 CE2 TRP A 172 5.067 7.164 2.811 1.00 0.00 C ATOM 477 CE3 TRP A 172 4.095 8.515 1.050 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.302 7.174 2.166 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.340 8.527 0.395 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.440 7.858 0.952 1.00 0.00 C ATOM 0 H TRP A 172 -1.043 8.487 2.743 1.00 0.00 H new ATOM 0 HA TRP A 172 0.760 6.442 1.901 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.344 8.854 2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 172 1.122 8.679 3.952 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.693 6.550 5.047 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.188 6.049 4.615 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.253 9.032 0.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 7.146 6.658 2.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.449 9.054 -0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.393 7.871 0.445 1.00 0.00 H new ATOM 491 N LEU A 173 0.444 4.736 3.750 1.00 0.00 N ATOM 492 CA LEU A 173 0.487 3.755 4.870 1.00 0.00 C ATOM 493 C LEU A 173 1.712 4.031 5.744 1.00 0.00 C ATOM 494 O LEU A 173 1.620 4.111 6.952 1.00 0.00 O ATOM 495 CB LEU A 173 0.571 2.337 4.303 1.00 0.00 C ATOM 496 CG LEU A 173 -0.814 1.692 4.342 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.481 1.827 2.972 1.00 0.00 C ATOM 498 CD2 LEU A 173 -0.675 0.209 4.694 1.00 0.00 C ATOM 0 H LEU A 173 0.360 4.328 2.819 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.416 3.851 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.943 2.364 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 173 1.277 1.743 4.883 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.425 2.191 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.469 1.367 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.580 2.882 2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.870 1.328 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -1.662 -0.252 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.064 -0.288 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -0.200 0.110 5.670 1.00 0.00 H new ATOM 510 N GLY A 174 2.860 4.173 5.142 1.00 0.00 N ATOM 511 CA GLY A 174 4.093 4.441 5.936 1.00 0.00 C ATOM 512 C GLY A 174 5.298 3.837 5.216 1.00 0.00 C ATOM 513 O GLY A 174 5.172 2.893 4.460 1.00 0.00 O ATOM 0 H GLY A 174 2.998 4.115 4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.231 5.515 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.998 4.012 6.933 1.00 0.00 H new ATOM 517 N THR A 175 6.468 4.371 5.441 1.00 0.00 N ATOM 518 CA THR A 175 7.674 3.820 4.763 1.00 0.00 C ATOM 519 C THR A 175 7.970 2.427 5.317 1.00 0.00 C ATOM 520 O THR A 175 7.617 2.104 6.434 1.00 0.00 O ATOM 521 CB THR A 175 8.874 4.738 5.011 1.00 0.00 C ATOM 522 OG1 THR A 175 9.517 4.358 6.218 1.00 0.00 O ATOM 523 CG2 THR A 175 8.402 6.189 5.114 1.00 0.00 C ATOM 0 H THR A 175 6.640 5.161 6.062 1.00 0.00 H new ATOM 0 HA THR A 175 7.490 3.757 3.690 1.00 0.00 H new ATOM 0 HB THR A 175 9.576 4.649 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.286 4.944 6.377 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.259 6.839 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.912 6.479 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.698 6.285 5.941 1.00 0.00 H new ATOM 531 N PHE A 176 8.611 1.594 4.544 1.00 0.00 N ATOM 532 CA PHE A 176 8.919 0.220 5.029 1.00 0.00 C ATOM 533 C PHE A 176 10.405 -0.084 4.814 1.00 0.00 C ATOM 534 O PHE A 176 11.124 0.683 4.207 1.00 0.00 O ATOM 535 CB PHE A 176 8.065 -0.786 4.257 1.00 0.00 C ATOM 536 CG PHE A 176 6.654 -0.743 4.790 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.763 0.239 4.335 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.237 -1.678 5.746 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.456 0.283 4.837 1.00 0.00 C ATOM 540 CE2 PHE A 176 4.931 -1.632 6.248 1.00 0.00 C ATOM 541 CZ PHE A 176 4.039 -0.651 5.793 1.00 0.00 C ATOM 0 H PHE A 176 8.934 1.805 3.600 1.00 0.00 H new ATOM 0 HA PHE A 176 8.695 0.148 6.093 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.073 -0.549 3.193 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.477 -1.789 4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.084 0.961 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.923 -2.435 6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.769 1.039 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.611 -2.352 6.986 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.031 -0.616 6.180 1.00 0.00 H new ATOM 551 N GLU A 177 10.869 -1.197 5.316 1.00 0.00 N ATOM 552 CA GLU A 177 12.308 -1.551 5.150 1.00 0.00 C ATOM 553 C GLU A 177 12.556 -2.066 3.731 1.00 0.00 C ATOM 554 O GLU A 177 13.630 -1.909 3.183 1.00 0.00 O ATOM 555 CB GLU A 177 12.680 -2.638 6.160 1.00 0.00 C ATOM 556 CG GLU A 177 14.200 -2.681 6.328 1.00 0.00 C ATOM 557 CD GLU A 177 14.608 -4.023 6.941 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.332 -4.223 8.113 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.188 -4.826 6.229 1.00 0.00 O ATOM 0 H GLU A 177 10.313 -1.877 5.834 1.00 0.00 H new ATOM 0 HA GLU A 177 12.920 -0.665 5.321 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.203 -2.436 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.314 -3.606 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.687 -2.547 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.529 -1.862 6.967 1.00 0.00 H new ATOM 566 N THR A 178 11.574 -2.680 3.129 1.00 0.00 N ATOM 567 CA THR A 178 11.758 -3.203 1.745 1.00 0.00 C ATOM 568 C THR A 178 10.442 -3.077 0.974 1.00 0.00 C ATOM 569 O THR A 178 9.481 -2.510 1.455 1.00 0.00 O ATOM 570 CB THR A 178 12.177 -4.675 1.805 1.00 0.00 C ATOM 571 OG1 THR A 178 11.019 -5.496 1.864 1.00 0.00 O ATOM 572 CG2 THR A 178 13.040 -4.913 3.044 1.00 0.00 C ATOM 0 H THR A 178 10.653 -2.842 3.535 1.00 0.00 H new ATOM 0 HA THR A 178 12.533 -2.627 1.239 1.00 0.00 H new ATOM 0 HB THR A 178 12.752 -4.925 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.287 -6.438 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.337 -5.961 3.085 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.930 -4.285 2.994 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.469 -4.663 3.938 1.00 0.00 H new ATOM 580 N ALA A 179 10.394 -3.599 -0.221 1.00 0.00 N ATOM 581 CA ALA A 179 9.142 -3.507 -1.023 1.00 0.00 C ATOM 582 C ALA A 179 8.171 -4.607 -0.590 1.00 0.00 C ATOM 583 O ALA A 179 6.970 -4.460 -0.688 1.00 0.00 O ATOM 584 CB ALA A 179 9.475 -3.679 -2.506 1.00 0.00 C ATOM 0 H ALA A 179 11.167 -4.085 -0.676 1.00 0.00 H new ATOM 0 HA ALA A 179 8.680 -2.533 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.560 -3.612 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.165 -2.895 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.938 -4.653 -2.664 1.00 0.00 H new ATOM 590 N GLU A 180 8.680 -5.711 -0.114 1.00 0.00 N ATOM 591 CA GLU A 180 7.784 -6.820 0.324 1.00 0.00 C ATOM 592 C GLU A 180 7.058 -6.417 1.607 1.00 0.00 C ATOM 593 O GLU A 180 5.920 -6.781 1.828 1.00 0.00 O ATOM 594 CB GLU A 180 8.618 -8.077 0.584 1.00 0.00 C ATOM 595 CG GLU A 180 7.691 -9.237 0.958 1.00 0.00 C ATOM 596 CD GLU A 180 7.589 -9.338 2.482 1.00 0.00 C ATOM 597 OE1 GLU A 180 8.182 -8.508 3.152 1.00 0.00 O ATOM 598 OE2 GLU A 180 6.921 -10.244 2.952 1.00 0.00 O ATOM 0 H GLU A 180 9.678 -5.893 -0.009 1.00 0.00 H new ATOM 0 HA GLU A 180 7.052 -7.023 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.197 -8.332 -0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.331 -7.893 1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.702 -9.080 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.074 -10.170 0.546 1.00 0.00 H new ATOM 605 N ASP A 181 7.704 -5.669 2.458 1.00 0.00 N ATOM 606 CA ASP A 181 7.052 -5.246 3.726 1.00 0.00 C ATOM 607 C ASP A 181 6.001 -4.175 3.426 1.00 0.00 C ATOM 608 O ASP A 181 4.900 -4.211 3.939 1.00 0.00 O ATOM 609 CB ASP A 181 8.107 -4.673 4.677 1.00 0.00 C ATOM 610 CG ASP A 181 9.451 -5.368 4.442 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.439 -6.540 4.105 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.469 -4.716 4.603 1.00 0.00 O ATOM 0 H ASP A 181 8.658 -5.332 2.328 1.00 0.00 H new ATOM 0 HA ASP A 181 6.572 -6.107 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.210 -3.600 4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.791 -4.812 5.711 1.00 0.00 H new ATOM 617 N ALA A 182 6.331 -3.221 2.599 1.00 0.00 N ATOM 618 CA ALA A 182 5.349 -2.148 2.269 1.00 0.00 C ATOM 619 C ALA A 182 4.209 -2.737 1.439 1.00 0.00 C ATOM 620 O ALA A 182 3.084 -2.279 1.498 1.00 0.00 O ATOM 621 CB ALA A 182 6.047 -1.048 1.466 1.00 0.00 C ATOM 0 H ALA A 182 7.237 -3.138 2.138 1.00 0.00 H new ATOM 0 HA ALA A 182 4.948 -1.728 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.330 -0.263 1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.861 -0.627 2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.448 -1.469 0.544 1.00 0.00 H new ATOM 627 N ALA A 183 4.488 -3.748 0.668 1.00 0.00 N ATOM 628 CA ALA A 183 3.421 -4.366 -0.164 1.00 0.00 C ATOM 629 C ALA A 183 2.468 -5.144 0.742 1.00 0.00 C ATOM 630 O ALA A 183 1.264 -5.101 0.575 1.00 0.00 O ATOM 631 CB ALA A 183 4.053 -5.313 -1.185 1.00 0.00 C ATOM 0 H ALA A 183 5.410 -4.174 0.578 1.00 0.00 H new ATOM 0 HA ALA A 183 2.869 -3.589 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.271 -5.766 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.735 -4.754 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.605 -6.095 -0.663 1.00 0.00 H new ATOM 637 N LEU A 184 2.995 -5.852 1.706 1.00 0.00 N ATOM 638 CA LEU A 184 2.119 -6.626 2.628 1.00 0.00 C ATOM 639 C LEU A 184 1.242 -5.656 3.419 1.00 0.00 C ATOM 640 O LEU A 184 0.056 -5.869 3.588 1.00 0.00 O ATOM 641 CB LEU A 184 2.982 -7.438 3.596 1.00 0.00 C ATOM 642 CG LEU A 184 2.236 -8.709 4.004 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.151 -9.920 3.814 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.825 -8.610 5.476 1.00 0.00 C ATOM 0 H LEU A 184 3.995 -5.926 1.893 1.00 0.00 H new ATOM 0 HA LEU A 184 1.490 -7.304 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.930 -7.696 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.216 -6.842 4.478 1.00 0.00 H new ATOM 0 HG LEU A 184 1.347 -8.822 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 184 2.620 -10.826 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 184 3.446 -9.992 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 184 4.040 -9.805 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.293 -9.516 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 184 2.715 -8.497 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.174 -7.747 5.615 1.00 0.00 H new ATOM 656 N ALA A 185 1.815 -4.590 3.899 1.00 0.00 N ATOM 657 CA ALA A 185 1.018 -3.600 4.674 1.00 0.00 C ATOM 658 C ALA A 185 -0.019 -2.964 3.748 1.00 0.00 C ATOM 659 O ALA A 185 -1.034 -2.461 4.186 1.00 0.00 O ATOM 660 CB ALA A 185 1.944 -2.515 5.228 1.00 0.00 C ATOM 0 H ALA A 185 2.803 -4.361 3.788 1.00 0.00 H new ATOM 0 HA ALA A 185 0.516 -4.099 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.358 -1.791 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.688 -2.971 5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.446 -2.009 4.403 1.00 0.00 H new ATOM 666 N TYR A 186 0.226 -2.990 2.466 1.00 0.00 N ATOM 667 CA TYR A 186 -0.744 -2.395 1.508 1.00 0.00 C ATOM 668 C TYR A 186 -2.003 -3.261 1.469 1.00 0.00 C ATOM 669 O TYR A 186 -3.100 -2.772 1.299 1.00 0.00 O ATOM 670 CB TYR A 186 -0.121 -2.338 0.112 1.00 0.00 C ATOM 671 CG TYR A 186 -1.169 -1.919 -0.888 1.00 0.00 C ATOM 672 CD1 TYR A 186 -2.113 -2.849 -1.341 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.200 -0.601 -1.363 1.00 0.00 C ATOM 674 CE1 TYR A 186 -3.088 -2.462 -2.268 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.175 -0.213 -2.292 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.120 -1.145 -2.744 1.00 0.00 C ATOM 677 OH TYR A 186 -4.083 -0.764 -3.657 1.00 0.00 O ATOM 0 H TYR A 186 1.059 -3.399 2.042 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.000 -1.385 1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.710 -1.633 0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.285 -3.313 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -2.089 -3.865 -0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.472 0.116 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.816 -3.179 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.198 0.802 -2.659 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.964 0.182 -3.882 1.00 0.00 H new ATOM 687 N ASP A 187 -1.848 -4.547 1.623 1.00 0.00 N ATOM 688 CA ASP A 187 -3.026 -5.453 1.599 1.00 0.00 C ATOM 689 C ASP A 187 -3.895 -5.192 2.830 1.00 0.00 C ATOM 690 O ASP A 187 -5.105 -5.127 2.749 1.00 0.00 O ATOM 691 CB ASP A 187 -2.541 -6.901 1.624 1.00 0.00 C ATOM 692 CG ASP A 187 -1.874 -7.244 0.292 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.580 -6.325 -0.456 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.666 -8.420 0.044 1.00 0.00 O ATOM 0 H ASP A 187 -0.950 -5.010 1.765 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.610 -5.272 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.836 -7.044 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.380 -7.573 1.805 1.00 0.00 H new ATOM 699 N ARG A 188 -3.281 -5.051 3.971 1.00 0.00 N ATOM 700 CA ARG A 188 -4.062 -4.802 5.216 1.00 0.00 C ATOM 701 C ARG A 188 -4.885 -3.523 5.065 1.00 0.00 C ATOM 702 O ARG A 188 -6.024 -3.453 5.484 1.00 0.00 O ATOM 703 CB ARG A 188 -3.102 -4.655 6.399 1.00 0.00 C ATOM 704 CG ARG A 188 -3.899 -4.621 7.704 1.00 0.00 C ATOM 705 CD ARG A 188 -3.307 -5.624 8.698 1.00 0.00 C ATOM 706 NE ARG A 188 -1.898 -5.248 9.010 1.00 0.00 N ATOM 707 CZ ARG A 188 -1.637 -4.483 10.036 1.00 0.00 C ATOM 708 NH1 ARG A 188 -1.608 -3.186 9.892 1.00 0.00 N ATOM 709 NH2 ARG A 188 -1.406 -5.014 11.206 1.00 0.00 N ATOM 0 H ARG A 188 -2.270 -5.097 4.096 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.734 -5.642 5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.396 -5.486 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -2.517 -3.741 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.877 -3.617 8.129 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -4.944 -4.861 7.509 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.901 -5.639 9.612 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -3.341 -6.630 8.279 1.00 0.00 H new ATOM 0 HE ARG A 188 -1.138 -5.589 8.422 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.789 -2.770 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -1.404 -2.588 10.693 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -1.429 -6.027 11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -1.202 -4.416 12.006 1.00 0.00 H new ATOM 723 N ALA A 189 -4.320 -2.510 4.473 1.00 0.00 N ATOM 724 CA ALA A 189 -5.072 -1.234 4.300 1.00 0.00 C ATOM 725 C ALA A 189 -5.983 -1.339 3.076 1.00 0.00 C ATOM 726 O ALA A 189 -6.945 -0.607 2.942 1.00 0.00 O ATOM 727 CB ALA A 189 -4.085 -0.083 4.102 1.00 0.00 C ATOM 0 H ALA A 189 -3.370 -2.509 4.101 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.676 -1.047 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.635 0.850 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.436 -0.006 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.480 -0.271 3.215 1.00 0.00 H new ATOM 733 N ALA A 190 -5.690 -2.243 2.184 1.00 0.00 N ATOM 734 CA ALA A 190 -6.540 -2.392 0.970 1.00 0.00 C ATOM 735 C ALA A 190 -7.644 -3.414 1.243 1.00 0.00 C ATOM 736 O ALA A 190 -8.555 -3.576 0.460 1.00 0.00 O ATOM 737 CB ALA A 190 -5.680 -2.870 -0.201 1.00 0.00 C ATOM 0 H ALA A 190 -4.899 -2.885 2.243 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.989 -1.430 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.303 -2.979 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.894 -2.141 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.230 -3.831 0.047 1.00 0.00 H new ATOM 743 N PHE A 191 -7.574 -4.098 2.352 1.00 0.00 N ATOM 744 CA PHE A 191 -8.629 -5.098 2.671 1.00 0.00 C ATOM 745 C PHE A 191 -9.587 -4.497 3.697 1.00 0.00 C ATOM 746 O PHE A 191 -10.773 -4.757 3.682 1.00 0.00 O ATOM 747 CB PHE A 191 -7.989 -6.365 3.239 1.00 0.00 C ATOM 748 CG PHE A 191 -8.775 -7.571 2.782 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.460 -8.189 1.564 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.819 -8.070 3.572 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.189 -9.307 1.137 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.548 -9.188 3.145 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.233 -9.807 1.927 1.00 0.00 C ATOM 0 H PHE A 191 -6.834 -4.007 3.048 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.176 -5.357 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.954 -6.444 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.971 -6.320 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.656 -7.804 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -10.062 -7.593 4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.946 -9.784 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -11.353 -9.573 3.754 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.795 -10.669 1.598 1.00 0.00 H new ATOM 763 N ARG A 192 -9.082 -3.682 4.583 1.00 0.00 N ATOM 764 CA ARG A 192 -9.967 -3.050 5.600 1.00 0.00 C ATOM 765 C ARG A 192 -10.752 -1.920 4.935 1.00 0.00 C ATOM 766 O ARG A 192 -11.927 -1.735 5.178 1.00 0.00 O ATOM 767 CB ARG A 192 -9.121 -2.478 6.739 1.00 0.00 C ATOM 768 CG ARG A 192 -8.321 -3.600 7.404 1.00 0.00 C ATOM 769 CD ARG A 192 -7.245 -2.992 8.307 1.00 0.00 C ATOM 770 NE ARG A 192 -6.863 -3.975 9.359 1.00 0.00 N ATOM 771 CZ ARG A 192 -6.112 -3.603 10.360 1.00 0.00 C ATOM 772 NH1 ARG A 192 -5.189 -2.698 10.182 1.00 0.00 N ATOM 773 NH2 ARG A 192 -6.286 -4.134 11.539 1.00 0.00 N ATOM 0 H ARG A 192 -8.096 -3.427 4.646 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.652 -3.795 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.444 -1.715 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.764 -1.993 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.984 -4.237 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.860 -4.232 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -6.371 -2.719 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -7.617 -2.077 8.768 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.188 -4.940 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -5.054 -2.281 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -4.602 -2.407 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -7.009 -4.840 11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -5.699 -3.843 12.321 1.00 0.00 H new ATOM 787 N MET A 193 -10.102 -1.166 4.093 1.00 0.00 N ATOM 788 CA MET A 193 -10.796 -0.045 3.400 1.00 0.00 C ATOM 789 C MET A 193 -11.738 -0.609 2.334 1.00 0.00 C ATOM 790 O MET A 193 -12.772 -0.042 2.041 1.00 0.00 O ATOM 791 CB MET A 193 -9.756 0.857 2.733 1.00 0.00 C ATOM 792 CG MET A 193 -10.352 2.247 2.508 1.00 0.00 C ATOM 793 SD MET A 193 -9.820 3.353 3.839 1.00 0.00 S ATOM 794 CE MET A 193 -8.102 3.540 3.302 1.00 0.00 C ATOM 0 H MET A 193 -9.117 -1.278 3.854 1.00 0.00 H new ATOM 0 HA MET A 193 -11.371 0.532 4.124 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.867 0.929 3.359 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.443 0.426 1.782 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.031 2.640 1.543 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.440 2.188 2.482 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.618 4.316 3.894 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.573 2.597 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 193 -8.078 3.820 2.249 1.00 0.00 H new ATOM 804 N ARG A 194 -11.387 -1.721 1.751 1.00 0.00 N ATOM 805 CA ARG A 194 -12.258 -2.323 0.703 1.00 0.00 C ATOM 806 C ARG A 194 -12.975 -3.550 1.276 1.00 0.00 C ATOM 807 O ARG A 194 -13.719 -4.223 0.588 1.00 0.00 O ATOM 808 CB ARG A 194 -11.398 -2.737 -0.492 1.00 0.00 C ATOM 809 CG ARG A 194 -10.967 -1.489 -1.264 1.00 0.00 C ATOM 810 CD ARG A 194 -11.036 -1.766 -2.766 1.00 0.00 C ATOM 811 NE ARG A 194 -11.355 -0.502 -3.488 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.390 0.249 -3.941 1.00 0.00 C ATOM 813 NH1 ARG A 194 -9.501 0.738 -3.119 1.00 0.00 N ATOM 814 NH2 ARG A 194 -10.314 0.514 -5.217 1.00 0.00 N ATOM 0 H ARG A 194 -10.533 -2.240 1.955 1.00 0.00 H new ATOM 0 HA ARG A 194 -13.000 -1.593 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.521 -3.287 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.960 -3.406 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.614 -0.650 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.953 -1.207 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -10.086 -2.168 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -11.797 -2.518 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 194 -12.327 -0.225 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -9.561 0.533 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.747 1.325 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -11.009 0.134 -5.859 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.559 1.101 -5.572 1.00 0.00 H new ATOM 828 N GLY A 195 -12.761 -3.846 2.529 1.00 0.00 N ATOM 829 CA GLY A 195 -13.432 -5.025 3.147 1.00 0.00 C ATOM 830 C GLY A 195 -13.250 -6.253 2.254 1.00 0.00 C ATOM 831 O GLY A 195 -12.226 -6.905 2.280 1.00 0.00 O ATOM 0 H GLY A 195 -12.149 -3.321 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -13.013 -5.217 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.493 -4.819 3.286 1.00 0.00 H new ATOM 835 N SER A 196 -14.240 -6.578 1.467 1.00 0.00 N ATOM 836 CA SER A 196 -14.127 -7.769 0.576 1.00 0.00 C ATOM 837 C SER A 196 -12.793 -7.731 -0.170 1.00 0.00 C ATOM 838 O SER A 196 -12.025 -6.798 -0.045 1.00 0.00 O ATOM 839 CB SER A 196 -15.273 -7.759 -0.436 1.00 0.00 C ATOM 840 OG SER A 196 -15.905 -9.033 -0.440 1.00 0.00 O ATOM 0 H SER A 196 -15.122 -6.070 1.402 1.00 0.00 H new ATOM 0 HA SER A 196 -14.179 -8.675 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.994 -6.983 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 196 -14.894 -7.525 -1.431 1.00 0.00 H new ATOM 0 HG SER A 196 -16.642 -9.031 -1.086 1.00 0.00 H new ATOM 846 N ARG A 197 -12.514 -8.744 -0.945 1.00 0.00 N ATOM 847 CA ARG A 197 -11.231 -8.776 -1.705 1.00 0.00 C ATOM 848 C ARG A 197 -10.956 -7.397 -2.303 1.00 0.00 C ATOM 849 O ARG A 197 -11.846 -6.581 -2.445 1.00 0.00 O ATOM 850 CB ARG A 197 -11.332 -9.804 -2.833 1.00 0.00 C ATOM 851 CG ARG A 197 -10.706 -11.125 -2.382 1.00 0.00 C ATOM 852 CD ARG A 197 -11.417 -11.623 -1.122 1.00 0.00 C ATOM 853 NE ARG A 197 -11.141 -13.076 -0.938 1.00 0.00 N ATOM 854 CZ ARG A 197 -9.975 -13.474 -0.504 1.00 0.00 C ATOM 855 NH1 ARG A 197 -9.056 -12.598 -0.195 1.00 0.00 N ATOM 856 NH2 ARG A 197 -9.727 -14.749 -0.379 1.00 0.00 N ATOM 0 H ARG A 197 -13.120 -9.552 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.419 -9.050 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -12.376 -9.959 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -10.823 -9.434 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -10.787 -11.868 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -9.643 -10.987 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -11.073 -11.063 -0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.490 -11.453 -1.206 1.00 0.00 H new ATOM 0 HE ARG A 197 -11.865 -13.762 -1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -9.248 -11.601 -0.292 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -8.146 -12.911 0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -10.443 -15.434 -0.620 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -8.817 -15.061 -0.040 1.00 0.00 H new ATOM 870 N ALA A 198 -9.730 -7.132 -2.661 1.00 0.00 N ATOM 871 CA ALA A 198 -9.397 -5.807 -3.255 1.00 0.00 C ATOM 872 C ALA A 198 -8.111 -5.929 -4.071 1.00 0.00 C ATOM 873 O ALA A 198 -7.295 -5.031 -4.098 1.00 0.00 O ATOM 874 CB ALA A 198 -9.204 -4.779 -2.140 1.00 0.00 C ATOM 0 H ALA A 198 -8.944 -7.776 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.210 -5.483 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.960 -3.810 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.123 -4.695 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.391 -5.098 -1.488 1.00 0.00 H new ATOM 880 N LEU A 199 -7.934 -7.037 -4.737 1.00 0.00 N ATOM 881 CA LEU A 199 -6.707 -7.238 -5.562 1.00 0.00 C ATOM 882 C LEU A 199 -5.487 -6.676 -4.826 1.00 0.00 C ATOM 883 O LEU A 199 -5.172 -5.508 -4.933 1.00 0.00 O ATOM 884 CB LEU A 199 -6.871 -6.517 -6.902 1.00 0.00 C ATOM 885 CG LEU A 199 -7.564 -7.444 -7.902 1.00 0.00 C ATOM 886 CD1 LEU A 199 -9.051 -7.551 -7.556 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.410 -6.875 -9.315 1.00 0.00 C ATOM 0 H LEU A 199 -8.591 -7.817 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.561 -8.304 -5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.457 -5.607 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.896 -6.215 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.109 -8.433 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.544 -8.212 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.162 -7.955 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -9.507 -6.562 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -7.903 -7.535 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -7.865 -5.886 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.351 -6.799 -9.563 1.00 0.00 H new ATOM 899 N LEU A 200 -4.795 -7.496 -4.085 1.00 0.00 N ATOM 900 CA LEU A 200 -3.593 -6.998 -3.351 1.00 0.00 C ATOM 901 C LEU A 200 -2.337 -7.623 -3.952 1.00 0.00 C ATOM 902 O LEU A 200 -2.407 -8.496 -4.794 1.00 0.00 O ATOM 903 CB LEU A 200 -3.664 -7.376 -1.863 1.00 0.00 C ATOM 904 CG LEU A 200 -5.028 -7.977 -1.520 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.996 -8.540 -0.098 1.00 0.00 C ATOM 906 CD2 LEU A 200 -6.091 -6.884 -1.610 1.00 0.00 C ATOM 0 H LEU A 200 -5.007 -8.485 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.562 -5.912 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.876 -8.092 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.486 -6.493 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 200 -5.263 -8.779 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.968 -8.968 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.231 -9.314 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.765 -7.740 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -7.067 -7.305 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.854 -6.087 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.112 -6.480 -2.622 1.00 0.00 H new ATOM 918 N ASN A 201 -1.185 -7.203 -3.508 1.00 0.00 N ATOM 919 CA ASN A 201 0.070 -7.802 -4.043 1.00 0.00 C ATOM 920 C ASN A 201 0.182 -9.215 -3.480 1.00 0.00 C ATOM 921 O ASN A 201 0.657 -10.125 -4.129 1.00 0.00 O ATOM 922 CB ASN A 201 1.298 -6.989 -3.603 1.00 0.00 C ATOM 923 CG ASN A 201 0.888 -5.567 -3.212 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.222 -5.108 -2.036 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.260 -4.868 -3.982 1.00 0.00 N flip ATOM 0 H ASN A 201 -1.058 -6.477 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 201 0.038 -7.807 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.782 -7.479 -2.759 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.027 -6.954 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 201 -0.000 -5.227 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN A 201 -0.007 -3.922 -3.710 1.00 0.00 H new ATOM 932 N PHE A 202 -0.269 -9.395 -2.269 1.00 0.00 N ATOM 933 CA PHE A 202 -0.215 -10.737 -1.631 1.00 0.00 C ATOM 934 C PHE A 202 -1.635 -11.146 -1.224 1.00 0.00 C ATOM 935 O PHE A 202 -2.013 -11.008 -0.078 1.00 0.00 O ATOM 936 CB PHE A 202 0.677 -10.671 -0.388 1.00 0.00 C ATOM 937 CG PHE A 202 1.951 -9.931 -0.713 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.538 -10.069 -1.976 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.551 -9.112 0.253 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.724 -9.390 -2.275 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.738 -8.432 -0.047 1.00 0.00 C ATOM 942 CZ PHE A 202 4.325 -8.570 -1.311 1.00 0.00 C ATOM 0 H PHE A 202 -0.676 -8.661 -1.690 1.00 0.00 H new ATOM 0 HA PHE A 202 0.194 -11.468 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.150 -10.168 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.909 -11.678 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.075 -10.700 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.098 -9.005 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.177 -9.498 -3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.201 -7.801 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.240 -8.045 -1.542 1.00 0.00 H new ATOM 952 N PRO A 203 -2.382 -11.628 -2.185 1.00 0.00 N ATOM 953 CA PRO A 203 -3.775 -12.057 -1.968 1.00 0.00 C ATOM 954 C PRO A 203 -3.818 -13.420 -1.272 1.00 0.00 C ATOM 955 O PRO A 203 -2.815 -13.919 -0.801 1.00 0.00 O ATOM 956 CB PRO A 203 -4.347 -12.151 -3.386 1.00 0.00 C ATOM 957 CG PRO A 203 -3.137 -12.325 -4.333 1.00 0.00 C ATOM 958 CD PRO A 203 -1.905 -11.795 -3.574 1.00 0.00 C ATOM 0 HA PRO A 203 -4.337 -11.375 -1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -5.033 -12.994 -3.473 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.911 -11.253 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -3.004 -13.372 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -3.288 -11.773 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -1.072 -12.496 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.555 -10.851 -3.992 1.00 0.00 H new