USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 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 -94:sc= 0.0182 USER MOD Single : A 151 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.8!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= -2.97! C(o=-3!,f=-14!) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -135:sc= -1.86! USER MOD Single : A 186 TYR OH : rot 180:sc=-0.00112 USER MOD Single : A 193 MET CE :methyl -176:sc= -2.29 (180deg=-2.54) USER MOD Single : A 196 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.99! C(o=-11!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.657 -2.885 -6.679 1.00 0.00 N ATOM 41 CA TYR A 146 4.332 -3.164 -6.058 1.00 0.00 C ATOM 42 C TYR A 146 3.370 -2.018 -6.380 1.00 0.00 C ATOM 43 O TYR A 146 3.766 -0.875 -6.500 1.00 0.00 O ATOM 44 CB TYR A 146 4.491 -3.289 -4.541 1.00 0.00 C ATOM 45 CG TYR A 146 5.218 -4.568 -4.202 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.968 -5.735 -4.934 1.00 0.00 C ATOM 47 CD2 TYR A 146 6.139 -4.585 -3.146 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.638 -6.921 -4.610 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.808 -5.771 -2.823 1.00 0.00 C ATOM 50 CZ TYR A 146 6.558 -6.940 -3.555 1.00 0.00 C ATOM 51 OH TYR A 146 7.218 -8.110 -3.235 1.00 0.00 O ATOM 0 HA TYR A 146 3.933 -4.097 -6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 146 5.043 -2.433 -4.153 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.512 -3.280 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.259 -5.720 -5.748 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.332 -3.684 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.445 -7.821 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.518 -5.786 -2.009 1.00 0.00 H new ATOM 0 HH TYR A 146 6.729 -8.578 -2.527 1.00 0.00 H new ATOM 61 N ARG A 147 2.108 -2.316 -6.528 1.00 0.00 N ATOM 62 CA ARG A 147 1.119 -1.248 -6.849 1.00 0.00 C ATOM 63 C ARG A 147 0.785 -0.453 -5.584 1.00 0.00 C ATOM 64 O ARG A 147 -0.081 -0.824 -4.818 1.00 0.00 O ATOM 65 CB ARG A 147 -0.156 -1.889 -7.400 1.00 0.00 C ATOM 66 CG ARG A 147 0.212 -2.910 -8.478 1.00 0.00 C ATOM 67 CD ARG A 147 -0.790 -2.822 -9.630 1.00 0.00 C ATOM 68 NE ARG A 147 -1.150 -4.196 -10.081 1.00 0.00 N ATOM 69 CZ ARG A 147 -1.505 -4.404 -11.319 1.00 0.00 C ATOM 70 NH1 ARG A 147 -2.624 -3.908 -11.770 1.00 0.00 N ATOM 71 NH2 ARG A 147 -0.741 -5.110 -12.108 1.00 0.00 N ATOM 0 H ARG A 147 1.719 -3.255 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 147 1.543 -0.575 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.708 -2.376 -6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.810 -1.123 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.221 -2.720 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.210 -3.915 -8.057 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.684 -2.287 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.361 -2.257 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.119 -4.974 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.222 -3.357 -11.155 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -2.901 -4.071 -12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.134 -5.499 -11.757 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.019 -5.272 -13.076 1.00 0.00 H new ATOM 85 N GLY A 148 1.461 0.642 -5.364 1.00 0.00 N ATOM 86 CA GLY A 148 1.173 1.462 -4.153 1.00 0.00 C ATOM 87 C GLY A 148 2.436 1.593 -3.297 1.00 0.00 C ATOM 88 O GLY A 148 2.443 2.272 -2.290 1.00 0.00 O ATOM 0 H GLY A 148 2.198 1.003 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.820 2.450 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.376 0.999 -3.571 1.00 0.00 H new ATOM 92 N VAL A 149 3.505 0.950 -3.683 1.00 0.00 N ATOM 93 CA VAL A 149 4.755 1.050 -2.878 1.00 0.00 C ATOM 94 C VAL A 149 5.793 1.886 -3.624 1.00 0.00 C ATOM 95 O VAL A 149 6.315 1.481 -4.643 1.00 0.00 O ATOM 96 CB VAL A 149 5.333 -0.346 -2.638 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.579 -0.236 -1.758 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.295 -1.219 -1.935 1.00 0.00 C ATOM 0 H VAL A 149 3.567 0.364 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 149 4.516 1.522 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 149 5.597 -0.796 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.992 -1.230 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.323 0.385 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.311 0.216 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.710 -2.213 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.029 -0.769 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.405 -1.299 -2.559 1.00 0.00 H new ATOM 108 N ARG A 150 6.113 3.041 -3.114 1.00 0.00 N ATOM 109 CA ARG A 150 7.138 3.884 -3.783 1.00 0.00 C ATOM 110 C ARG A 150 8.511 3.470 -3.252 1.00 0.00 C ATOM 111 O ARG A 150 8.826 3.664 -2.094 1.00 0.00 O ATOM 112 CB ARG A 150 6.877 5.361 -3.478 1.00 0.00 C ATOM 113 CG ARG A 150 7.178 5.643 -2.006 1.00 0.00 C ATOM 114 CD ARG A 150 8.567 6.273 -1.883 1.00 0.00 C ATOM 115 NE ARG A 150 8.428 7.710 -1.512 1.00 0.00 N ATOM 116 CZ ARG A 150 9.480 8.484 -1.491 1.00 0.00 C ATOM 117 NH1 ARG A 150 10.057 8.832 -2.608 1.00 0.00 N ATOM 118 NH2 ARG A 150 9.953 8.909 -0.351 1.00 0.00 N ATOM 0 H ARG A 150 5.710 3.436 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 150 7.097 3.746 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 150 7.501 5.989 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 150 5.840 5.611 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 150 6.425 6.313 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 150 7.134 4.718 -1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 150 9.152 5.746 -1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 150 9.105 6.180 -2.826 1.00 0.00 H new ATOM 0 HE ARG A 150 7.511 8.089 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 150 9.687 8.500 -3.498 1.00 0.00 H new ATOM 0 HH12 ARG A 150 10.878 9.436 -2.591 1.00 0.00 H new ATOM 0 HH21 ARG A 150 9.501 8.637 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 150 10.774 9.513 -0.333 1.00 0.00 H new ATOM 132 N GLN A 151 9.321 2.871 -4.079 1.00 0.00 N ATOM 133 CA GLN A 151 10.658 2.413 -3.611 1.00 0.00 C ATOM 134 C GLN A 151 11.703 3.513 -3.810 1.00 0.00 C ATOM 135 O GLN A 151 11.739 4.178 -4.827 1.00 0.00 O ATOM 136 CB GLN A 151 11.073 1.175 -4.408 1.00 0.00 C ATOM 137 CG GLN A 151 11.371 1.576 -5.853 1.00 0.00 C ATOM 138 CD GLN A 151 11.193 0.364 -6.768 1.00 0.00 C ATOM 139 OE1 GLN A 151 10.589 -0.618 -6.384 1.00 0.00 O ATOM 140 NE2 GLN A 151 11.696 0.390 -7.972 1.00 0.00 N ATOM 0 H GLN A 151 9.115 2.679 -5.059 1.00 0.00 H new ATOM 0 HA GLN A 151 10.596 2.174 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 151 11.954 0.717 -3.957 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.278 0.430 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.703 2.380 -6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.389 1.958 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.203 1.214 -8.295 1.00 0.00 H new ATOM 0 HE22 GLN A 151 11.582 -0.414 -8.590 1.00 0.00 H new ATOM 149 N ARG A 152 12.568 3.688 -2.848 1.00 0.00 N ATOM 150 CA ARG A 152 13.635 4.719 -2.977 1.00 0.00 C ATOM 151 C ARG A 152 14.688 4.171 -3.960 1.00 0.00 C ATOM 152 O ARG A 152 14.413 3.206 -4.645 1.00 0.00 O ATOM 153 CB ARG A 152 14.236 4.982 -1.589 1.00 0.00 C ATOM 154 CG ARG A 152 13.145 4.876 -0.520 1.00 0.00 C ATOM 155 CD ARG A 152 11.941 5.723 -0.935 1.00 0.00 C ATOM 156 NE ARG A 152 12.322 7.163 -0.930 1.00 0.00 N ATOM 157 CZ ARG A 152 12.662 7.743 0.188 1.00 0.00 C ATOM 158 NH1 ARG A 152 11.817 7.790 1.181 1.00 0.00 N ATOM 159 NH2 ARG A 152 13.847 8.274 0.315 1.00 0.00 N ATOM 0 H ARG A 152 12.581 3.159 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 152 13.249 5.664 -3.358 1.00 0.00 H new ATOM 0 HB2 ARG A 152 15.029 4.263 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.689 5.973 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.845 3.836 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 152 13.529 5.217 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.601 5.429 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 152 11.110 5.553 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 152 12.317 7.695 -1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.891 7.373 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 152 12.082 8.243 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.509 8.236 -0.460 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.112 8.727 1.190 1.00 0.00 H new ATOM 173 N PRO A 153 15.852 4.780 -4.035 1.00 0.00 N ATOM 174 CA PRO A 153 16.898 4.320 -4.964 1.00 0.00 C ATOM 175 C PRO A 153 17.591 3.068 -4.419 1.00 0.00 C ATOM 176 O PRO A 153 18.272 2.367 -5.143 1.00 0.00 O ATOM 177 CB PRO A 153 17.860 5.508 -5.048 1.00 0.00 C ATOM 178 CG PRO A 153 17.630 6.348 -3.772 1.00 0.00 C ATOM 179 CD PRO A 153 16.245 5.953 -3.225 1.00 0.00 C ATOM 0 HA PRO A 153 16.509 4.036 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.894 5.167 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.668 6.100 -5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 153 18.408 6.152 -3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.667 7.414 -3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 153 16.292 5.706 -2.164 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.529 6.768 -3.331 1.00 0.00 H new ATOM 187 N TRP A 154 17.413 2.774 -3.157 1.00 0.00 N ATOM 188 CA TRP A 154 18.053 1.559 -2.567 1.00 0.00 C ATOM 189 C TRP A 154 18.145 1.712 -1.048 1.00 0.00 C ATOM 190 O TRP A 154 19.158 2.132 -0.526 1.00 0.00 O ATOM 191 CB TRP A 154 19.468 1.395 -3.131 1.00 0.00 C ATOM 192 CG TRP A 154 19.487 0.290 -4.138 1.00 0.00 C ATOM 193 CD1 TRP A 154 20.110 0.346 -5.338 1.00 0.00 C ATOM 194 CD2 TRP A 154 18.873 -1.030 -4.058 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.919 -0.852 -6.000 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.163 -1.733 -5.253 1.00 0.00 C ATOM 197 CE3 TRP A 154 18.101 -1.680 -3.076 1.00 0.00 C ATOM 198 CZ2 TRP A 154 18.702 -3.033 -5.464 1.00 0.00 C ATOM 199 CZ3 TRP A 154 17.635 -2.990 -3.287 1.00 0.00 C ATOM 200 CH2 TRP A 154 17.936 -3.664 -4.479 1.00 0.00 C ATOM 0 H TRP A 154 16.851 3.324 -2.508 1.00 0.00 H new ATOM 0 HA TRP A 154 17.451 0.685 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 154 19.795 2.326 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 154 20.168 1.176 -2.324 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.667 1.190 -5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.291 -1.060 -6.927 1.00 0.00 H new ATOM 0 HE3 TRP A 154 17.865 -1.169 -2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 18.936 -3.549 -6.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 17.043 -3.479 -2.528 1.00 0.00 H new ATOM 0 HH2 TRP A 154 17.576 -4.670 -4.636 1.00 0.00 H new ATOM 211 N GLY A 155 17.109 1.375 -0.325 1.00 0.00 N ATOM 212 CA GLY A 155 17.189 1.513 1.157 1.00 0.00 C ATOM 213 C GLY A 155 15.812 1.345 1.808 1.00 0.00 C ATOM 214 O GLY A 155 15.569 0.391 2.520 1.00 0.00 O ATOM 0 H GLY A 155 16.226 1.016 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.876 0.767 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.597 2.491 1.412 1.00 0.00 H new ATOM 218 N LYS A 156 14.917 2.277 1.607 1.00 0.00 N ATOM 219 CA LYS A 156 13.579 2.167 2.259 1.00 0.00 C ATOM 220 C LYS A 156 12.463 2.038 1.219 1.00 0.00 C ATOM 221 O LYS A 156 12.704 1.830 0.047 1.00 0.00 O ATOM 222 CB LYS A 156 13.334 3.420 3.098 1.00 0.00 C ATOM 223 CG LYS A 156 14.595 3.757 3.896 1.00 0.00 C ATOM 224 CD LYS A 156 14.211 4.525 5.163 1.00 0.00 C ATOM 225 CE LYS A 156 14.833 3.845 6.383 1.00 0.00 C ATOM 226 NZ LYS A 156 14.831 4.793 7.534 1.00 0.00 N ATOM 0 H LYS A 156 15.053 3.103 1.024 1.00 0.00 H new ATOM 0 HA LYS A 156 13.571 1.274 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.066 4.256 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.495 3.259 3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 156 15.126 2.842 4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 156 15.274 4.355 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.556 5.557 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.126 4.558 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.272 2.946 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.852 3.531 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.254 4.332 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 15.385 5.638 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.853 5.071 7.753 1.00 0.00 H new ATOM 240 N PHE A 157 11.236 2.168 1.661 1.00 0.00 N ATOM 241 CA PHE A 157 10.068 2.065 0.736 1.00 0.00 C ATOM 242 C PHE A 157 8.901 2.848 1.343 1.00 0.00 C ATOM 243 O PHE A 157 9.013 3.404 2.417 1.00 0.00 O ATOM 244 CB PHE A 157 9.656 0.596 0.583 1.00 0.00 C ATOM 245 CG PHE A 157 10.618 -0.118 -0.335 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.852 -0.565 0.155 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.274 -0.335 -1.676 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.745 -1.228 -0.697 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.167 -0.999 -2.528 1.00 0.00 C ATOM 250 CZ PHE A 157 12.403 -1.445 -2.038 1.00 0.00 C ATOM 0 H PHE A 157 10.993 2.343 2.636 1.00 0.00 H new ATOM 0 HA PHE A 157 10.334 2.468 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.643 0.110 1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.644 0.534 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.115 -0.399 1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.322 0.009 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.697 -1.572 -0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.903 -1.167 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.091 -1.956 -2.695 1.00 0.00 H new ATOM 260 N ALA A 158 7.778 2.892 0.678 1.00 0.00 N ATOM 261 CA ALA A 158 6.619 3.637 1.246 1.00 0.00 C ATOM 262 C ALA A 158 5.309 2.986 0.799 1.00 0.00 C ATOM 263 O ALA A 158 4.934 3.049 -0.354 1.00 0.00 O ATOM 264 CB ALA A 158 6.655 5.091 0.779 1.00 0.00 C ATOM 0 H ALA A 158 7.614 2.449 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 158 6.680 3.608 2.334 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.805 5.629 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.581 5.558 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.605 5.125 -0.309 1.00 0.00 H new ATOM 270 N ALA A 159 4.608 2.368 1.708 1.00 0.00 N ATOM 271 CA ALA A 159 3.318 1.720 1.343 1.00 0.00 C ATOM 272 C ALA A 159 2.215 2.779 1.309 1.00 0.00 C ATOM 273 O ALA A 159 2.109 3.606 2.191 1.00 0.00 O ATOM 274 CB ALA A 159 2.973 0.655 2.385 1.00 0.00 C ATOM 0 H ALA A 159 4.873 2.284 2.689 1.00 0.00 H new ATOM 0 HA ALA A 159 3.405 1.252 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 159 2.029 0.179 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.763 -0.096 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.881 1.122 3.366 1.00 0.00 H new ATOM 280 N GLU A 160 1.392 2.761 0.297 1.00 0.00 N ATOM 281 CA GLU A 160 0.300 3.771 0.213 1.00 0.00 C ATOM 282 C GLU A 160 -0.871 3.196 -0.586 1.00 0.00 C ATOM 283 O GLU A 160 -0.692 2.601 -1.631 1.00 0.00 O ATOM 284 CB GLU A 160 0.821 5.029 -0.484 1.00 0.00 C ATOM 285 CG GLU A 160 -0.180 6.170 -0.291 1.00 0.00 C ATOM 286 CD GLU A 160 -0.765 6.571 -1.646 1.00 0.00 C ATOM 287 OE1 GLU A 160 -0.100 7.302 -2.362 1.00 0.00 O ATOM 288 OE2 GLU A 160 -1.867 6.142 -1.944 1.00 0.00 O ATOM 0 H GLU A 160 1.428 2.093 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.036 4.023 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.792 5.309 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.967 4.835 -1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.978 5.858 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.312 7.025 0.172 1.00 0.00 H new ATOM 295 N ILE A 161 -2.071 3.368 -0.103 1.00 0.00 N ATOM 296 CA ILE A 161 -3.251 2.832 -0.836 1.00 0.00 C ATOM 297 C ILE A 161 -4.192 3.978 -1.201 1.00 0.00 C ATOM 298 O ILE A 161 -4.389 4.901 -0.436 1.00 0.00 O ATOM 299 CB ILE A 161 -3.987 1.825 0.050 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.279 1.391 -0.644 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.324 2.475 1.393 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.110 0.533 0.312 1.00 0.00 C ATOM 0 H ILE A 161 -2.284 3.856 0.767 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.917 2.337 -1.748 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.352 0.955 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.850 2.267 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.047 0.827 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.848 1.757 2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.404 2.788 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.960 3.344 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.031 0.224 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.538 -0.350 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.354 1.113 1.202 1.00 0.00 H new ATOM 314 N ARG A 162 -4.775 3.928 -2.366 1.00 0.00 N ATOM 315 CA ARG A 162 -5.704 5.015 -2.781 1.00 0.00 C ATOM 316 C ARG A 162 -7.103 4.727 -2.234 1.00 0.00 C ATOM 317 O ARG A 162 -7.634 3.647 -2.397 1.00 0.00 O ATOM 318 CB ARG A 162 -5.759 5.085 -4.308 1.00 0.00 C ATOM 319 CG ARG A 162 -6.490 6.358 -4.735 1.00 0.00 C ATOM 320 CD ARG A 162 -7.827 5.991 -5.382 1.00 0.00 C ATOM 321 NE ARG A 162 -7.635 4.835 -6.303 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.463 5.037 -7.579 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.346 5.554 -8.014 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.408 4.720 -8.423 1.00 0.00 N ATOM 0 H ARG A 162 -4.648 3.181 -3.049 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.348 5.967 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -4.750 5.077 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -6.271 4.208 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.657 7.000 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -5.877 6.923 -5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -8.558 5.739 -4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -8.223 6.845 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 162 -7.638 3.884 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.607 5.800 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.212 5.712 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.280 4.315 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.274 4.878 -9.422 1.00 0.00 H new ATOM 338 N ASP A 163 -7.703 5.687 -1.587 1.00 0.00 N ATOM 339 CA ASP A 163 -9.068 5.471 -1.031 1.00 0.00 C ATOM 340 C ASP A 163 -10.052 6.416 -1.726 1.00 0.00 C ATOM 341 O ASP A 163 -10.229 7.543 -1.306 1.00 0.00 O ATOM 342 CB ASP A 163 -9.054 5.757 0.472 1.00 0.00 C ATOM 343 CG ASP A 163 -10.417 5.405 1.072 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.362 5.282 0.311 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.490 5.264 2.282 1.00 0.00 O ATOM 0 H ASP A 163 -7.307 6.612 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.376 4.439 -1.200 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.270 5.174 0.956 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.827 6.808 0.651 1.00 0.00 H new ATOM 350 N PRO A 164 -10.659 5.926 -2.778 1.00 0.00 N ATOM 351 CA PRO A 164 -11.632 6.701 -3.568 1.00 0.00 C ATOM 352 C PRO A 164 -12.981 6.771 -2.848 1.00 0.00 C ATOM 353 O PRO A 164 -13.780 7.653 -3.091 1.00 0.00 O ATOM 354 CB PRO A 164 -11.749 5.908 -4.872 1.00 0.00 C ATOM 355 CG PRO A 164 -11.294 4.465 -4.547 1.00 0.00 C ATOM 356 CD PRO A 164 -10.433 4.553 -3.275 1.00 0.00 C ATOM 0 HA PRO A 164 -11.324 7.734 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.774 5.918 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.125 6.346 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.154 3.814 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.722 4.043 -5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.734 3.808 -2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.380 4.377 -3.494 1.00 0.00 H new ATOM 364 N ALA A 165 -13.242 5.848 -1.965 1.00 0.00 N ATOM 365 CA ALA A 165 -14.538 5.865 -1.235 1.00 0.00 C ATOM 366 C ALA A 165 -14.670 7.180 -0.464 1.00 0.00 C ATOM 367 O ALA A 165 -15.753 7.700 -0.287 1.00 0.00 O ATOM 368 CB ALA A 165 -14.588 4.693 -0.253 1.00 0.00 C ATOM 0 H ALA A 165 -12.614 5.083 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.357 5.776 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.538 4.706 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.493 3.755 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.769 4.781 0.461 1.00 0.00 H new ATOM 374 N LYS A 166 -13.574 7.723 -0.009 1.00 0.00 N ATOM 375 CA LYS A 166 -13.637 9.005 0.748 1.00 0.00 C ATOM 376 C LYS A 166 -13.627 10.177 -0.233 1.00 0.00 C ATOM 377 O LYS A 166 -14.508 11.013 -0.229 1.00 0.00 O ATOM 378 CB LYS A 166 -12.426 9.108 1.678 1.00 0.00 C ATOM 379 CG LYS A 166 -12.528 8.040 2.769 1.00 0.00 C ATOM 380 CD LYS A 166 -13.278 8.612 3.974 1.00 0.00 C ATOM 381 CE LYS A 166 -12.961 7.777 5.216 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.378 8.524 6.435 1.00 0.00 N ATOM 0 H LYS A 166 -12.638 7.335 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 166 -14.553 9.034 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -11.505 8.976 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -12.383 10.100 2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -13.049 7.162 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.532 7.714 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.988 9.650 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -14.351 8.607 3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.481 6.820 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -11.894 7.558 5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -13.163 7.957 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -12.863 9.426 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -14.400 8.711 6.395 1.00 0.00 H new ATOM 396 N ASN A 167 -12.635 10.239 -1.075 1.00 0.00 N ATOM 397 CA ASN A 167 -12.556 11.351 -2.063 1.00 0.00 C ATOM 398 C ASN A 167 -11.181 11.338 -2.733 1.00 0.00 C ATOM 399 O ASN A 167 -10.611 12.371 -3.025 1.00 0.00 O ATOM 400 CB ASN A 167 -12.759 12.688 -1.346 1.00 0.00 C ATOM 401 CG ASN A 167 -11.891 12.727 -0.087 1.00 0.00 C ATOM 402 OD1 ASN A 167 -10.878 12.062 -0.014 1.00 0.00 O ATOM 403 ND2 ASN A 167 -12.248 13.484 0.913 1.00 0.00 N ATOM 0 H ASN A 167 -11.871 9.564 -1.122 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.332 11.222 -2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -12.495 13.512 -2.009 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.809 12.815 -1.081 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -11.676 13.518 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.099 14.043 0.851 1.00 0.00 H new ATOM 410 N GLY A 168 -10.639 10.175 -2.978 1.00 0.00 N ATOM 411 CA GLY A 168 -9.300 10.099 -3.625 1.00 0.00 C ATOM 412 C GLY A 168 -8.219 10.489 -2.614 1.00 0.00 C ATOM 413 O GLY A 168 -7.053 10.577 -2.942 1.00 0.00 O ATOM 0 H GLY A 168 -11.066 9.276 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.120 9.089 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.263 10.765 -4.487 1.00 0.00 H new ATOM 417 N ALA A 169 -8.598 10.723 -1.386 1.00 0.00 N ATOM 418 CA ALA A 169 -7.590 11.108 -0.356 1.00 0.00 C ATOM 419 C ALA A 169 -6.513 10.027 -0.269 1.00 0.00 C ATOM 420 O ALA A 169 -6.748 8.941 0.225 1.00 0.00 O ATOM 421 CB ALA A 169 -8.279 11.253 1.003 1.00 0.00 C ATOM 0 H ALA A 169 -9.560 10.664 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.131 12.057 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.543 11.534 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.047 12.024 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.738 10.304 1.281 1.00 0.00 H new ATOM 427 N ARG A 170 -5.331 10.311 -0.743 1.00 0.00 N ATOM 428 CA ARG A 170 -4.243 9.295 -0.683 1.00 0.00 C ATOM 429 C ARG A 170 -4.064 8.832 0.764 1.00 0.00 C ATOM 430 O ARG A 170 -4.180 9.607 1.693 1.00 0.00 O ATOM 431 CB ARG A 170 -2.937 9.909 -1.190 1.00 0.00 C ATOM 432 CG ARG A 170 -2.563 11.110 -0.320 1.00 0.00 C ATOM 433 CD ARG A 170 -2.350 12.337 -1.208 1.00 0.00 C ATOM 434 NE ARG A 170 -0.931 12.782 -1.109 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.563 13.911 -1.648 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.891 15.041 -1.084 1.00 0.00 N ATOM 437 NH2 ARG A 170 0.135 13.911 -2.750 1.00 0.00 N ATOM 0 H ARG A 170 -5.072 11.201 -1.169 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.506 8.443 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.140 9.166 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.049 10.220 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.352 11.306 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.656 10.895 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -2.596 12.097 -2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.017 13.142 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 170 -0.248 12.204 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.435 15.041 -0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -0.603 15.924 -1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 170 0.393 13.028 -3.190 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.423 14.794 -3.171 1.00 0.00 H new ATOM 451 N VAL A 171 -3.786 7.573 0.965 1.00 0.00 N ATOM 452 CA VAL A 171 -3.606 7.066 2.354 1.00 0.00 C ATOM 453 C VAL A 171 -2.166 6.589 2.544 1.00 0.00 C ATOM 454 O VAL A 171 -1.868 5.415 2.435 1.00 0.00 O ATOM 455 CB VAL A 171 -4.569 5.904 2.598 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.195 5.190 3.899 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.995 6.449 2.705 1.00 0.00 C ATOM 0 H VAL A 171 -3.676 6.875 0.229 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.815 7.867 3.064 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.506 5.197 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.883 4.362 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.177 4.807 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.258 5.892 4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.687 5.625 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -6.054 7.154 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.261 6.957 1.778 1.00 0.00 H new ATOM 467 N TRP A 172 -1.270 7.492 2.834 1.00 0.00 N ATOM 468 CA TRP A 172 0.152 7.093 3.038 1.00 0.00 C ATOM 469 C TRP A 172 0.251 6.205 4.278 1.00 0.00 C ATOM 470 O TRP A 172 0.242 6.679 5.397 1.00 0.00 O ATOM 471 CB TRP A 172 1.010 8.345 3.231 1.00 0.00 C ATOM 472 CG TRP A 172 2.449 7.954 3.338 1.00 0.00 C ATOM 473 CD1 TRP A 172 2.968 7.153 4.296 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.561 8.334 2.477 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.328 7.018 4.077 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.740 7.727 2.970 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.659 9.139 1.328 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.974 7.911 2.346 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.898 9.329 0.695 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.054 8.716 1.203 1.00 0.00 C ATOM 0 H TRP A 172 -1.461 8.489 2.939 1.00 0.00 H new ATOM 0 HA TRP A 172 0.509 6.544 2.167 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.869 9.028 2.393 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.699 8.876 4.130 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.412 6.694 5.100 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.949 6.461 4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.775 9.615 0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.860 7.437 2.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.962 9.950 -0.187 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.005 8.865 0.713 1.00 0.00 H new ATOM 491 N LEU A 173 0.339 4.918 4.088 1.00 0.00 N ATOM 492 CA LEU A 173 0.433 3.994 5.256 1.00 0.00 C ATOM 493 C LEU A 173 1.700 4.301 6.055 1.00 0.00 C ATOM 494 O LEU A 173 1.693 4.306 7.270 1.00 0.00 O ATOM 495 CB LEU A 173 0.481 2.548 4.759 1.00 0.00 C ATOM 496 CG LEU A 173 -0.924 2.100 4.350 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.833 1.170 3.139 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.580 1.357 5.518 1.00 0.00 C ATOM 0 H LEU A 173 0.350 4.465 3.174 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.439 4.131 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.161 2.466 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.868 1.896 5.542 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.523 2.973 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.834 0.852 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.365 1.699 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.235 0.296 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.581 1.037 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.980 0.484 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.646 2.021 6.380 1.00 0.00 H new ATOM 510 N GLY A 174 2.789 4.553 5.385 1.00 0.00 N ATOM 511 CA GLY A 174 4.057 4.856 6.107 1.00 0.00 C ATOM 512 C GLY A 174 5.232 4.261 5.329 1.00 0.00 C ATOM 513 O GLY A 174 5.047 3.559 4.354 1.00 0.00 O ATOM 0 H GLY A 174 2.857 4.562 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.182 5.934 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 174 4.024 4.441 7.114 1.00 0.00 H new ATOM 517 N THR A 175 6.438 4.528 5.747 1.00 0.00 N ATOM 518 CA THR A 175 7.610 3.963 5.020 1.00 0.00 C ATOM 519 C THR A 175 8.000 2.631 5.657 1.00 0.00 C ATOM 520 O THR A 175 7.689 2.362 6.800 1.00 0.00 O ATOM 521 CB THR A 175 8.805 4.933 5.067 1.00 0.00 C ATOM 522 OG1 THR A 175 9.846 4.370 5.860 1.00 0.00 O ATOM 523 CG2 THR A 175 8.378 6.277 5.656 1.00 0.00 C ATOM 0 H THR A 175 6.663 5.109 6.555 1.00 0.00 H new ATOM 0 HA THR A 175 7.336 3.810 3.976 1.00 0.00 H new ATOM 0 HB THR A 175 9.167 5.095 4.052 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.606 4.988 5.888 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.234 6.951 5.682 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.592 6.712 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 175 8.003 6.128 6.668 1.00 0.00 H new ATOM 531 N PHE A 176 8.672 1.790 4.923 1.00 0.00 N ATOM 532 CA PHE A 176 9.072 0.471 5.484 1.00 0.00 C ATOM 533 C PHE A 176 10.560 0.228 5.227 1.00 0.00 C ATOM 534 O PHE A 176 11.255 1.074 4.699 1.00 0.00 O ATOM 535 CB PHE A 176 8.249 -0.630 4.816 1.00 0.00 C ATOM 536 CG PHE A 176 6.826 -0.549 5.313 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.913 0.315 4.695 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.423 -1.334 6.400 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.595 0.394 5.163 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.105 -1.256 6.868 1.00 0.00 C ATOM 541 CZ PHE A 176 4.192 -0.392 6.251 1.00 0.00 C ATOM 0 H PHE A 176 8.961 1.959 3.960 1.00 0.00 H new ATOM 0 HA PHE A 176 8.891 0.463 6.559 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.277 -0.516 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.673 -1.608 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.225 0.921 3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.128 -1.999 6.877 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.891 1.060 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.793 -1.863 7.705 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.177 -0.331 6.614 1.00 0.00 H new ATOM 551 N GLU A 177 11.053 -0.921 5.598 1.00 0.00 N ATOM 552 CA GLU A 177 12.496 -1.220 5.379 1.00 0.00 C ATOM 553 C GLU A 177 12.684 -1.855 3.999 1.00 0.00 C ATOM 554 O GLU A 177 13.769 -1.858 3.452 1.00 0.00 O ATOM 555 CB GLU A 177 12.985 -2.190 6.457 1.00 0.00 C ATOM 556 CG GLU A 177 12.574 -1.671 7.837 1.00 0.00 C ATOM 557 CD GLU A 177 13.763 -0.968 8.493 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.784 -0.836 7.839 1.00 0.00 O ATOM 559 OE2 GLU A 177 13.632 -0.572 9.640 1.00 0.00 O ATOM 0 H GLU A 177 10.518 -1.667 6.044 1.00 0.00 H new ATOM 0 HA GLU A 177 13.070 -0.295 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.562 -3.180 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 177 14.069 -2.293 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 177 11.736 -0.980 7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 177 12.236 -2.498 8.462 1.00 0.00 H new ATOM 566 N THR A 178 11.641 -2.396 3.433 1.00 0.00 N ATOM 567 CA THR A 178 11.772 -3.031 2.092 1.00 0.00 C ATOM 568 C THR A 178 10.466 -2.871 1.311 1.00 0.00 C ATOM 569 O THR A 178 9.482 -2.372 1.821 1.00 0.00 O ATOM 570 CB THR A 178 12.081 -4.520 2.265 1.00 0.00 C ATOM 571 OG1 THR A 178 10.872 -5.226 2.510 1.00 0.00 O ATOM 572 CG2 THR A 178 13.033 -4.711 3.446 1.00 0.00 C ATOM 0 H THR A 178 10.706 -2.426 3.840 1.00 0.00 H new ATOM 0 HA THR A 178 12.580 -2.548 1.543 1.00 0.00 H new ATOM 0 HB THR A 178 12.550 -4.903 1.358 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.005 -5.857 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.253 -5.772 3.569 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.959 -4.168 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.567 -4.330 4.354 1.00 0.00 H new ATOM 580 N ALA A 179 10.452 -3.296 0.078 1.00 0.00 N ATOM 581 CA ALA A 179 9.217 -3.175 -0.741 1.00 0.00 C ATOM 582 C ALA A 179 8.242 -4.288 -0.359 1.00 0.00 C ATOM 583 O ALA A 179 7.057 -4.186 -0.580 1.00 0.00 O ATOM 584 CB ALA A 179 9.576 -3.308 -2.220 1.00 0.00 C ATOM 0 H ALA A 179 11.247 -3.723 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 179 8.754 -2.205 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.672 -3.220 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.276 -2.519 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 179 10.037 -4.280 -2.397 1.00 0.00 H new ATOM 590 N GLU A 180 8.735 -5.354 0.207 1.00 0.00 N ATOM 591 CA GLU A 180 7.833 -6.476 0.599 1.00 0.00 C ATOM 592 C GLU A 180 7.083 -6.108 1.882 1.00 0.00 C ATOM 593 O GLU A 180 5.954 -6.506 2.088 1.00 0.00 O ATOM 594 CB GLU A 180 8.660 -7.741 0.836 1.00 0.00 C ATOM 595 CG GLU A 180 7.745 -8.965 0.788 1.00 0.00 C ATOM 596 CD GLU A 180 7.455 -9.443 2.213 1.00 0.00 C ATOM 597 OE1 GLU A 180 7.637 -8.658 3.129 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.056 -10.585 2.363 1.00 0.00 O ATOM 0 H GLU A 180 9.723 -5.498 0.416 1.00 0.00 H new ATOM 0 HA GLU A 180 7.115 -6.657 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.439 -7.826 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.160 -7.685 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.813 -8.716 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.217 -9.763 0.215 1.00 0.00 H new ATOM 605 N ASP A 181 7.700 -5.349 2.745 1.00 0.00 N ATOM 606 CA ASP A 181 7.021 -4.956 4.011 1.00 0.00 C ATOM 607 C ASP A 181 6.023 -3.835 3.717 1.00 0.00 C ATOM 608 O ASP A 181 4.958 -3.771 4.297 1.00 0.00 O ATOM 609 CB ASP A 181 8.058 -4.462 5.026 1.00 0.00 C ATOM 610 CG ASP A 181 9.420 -5.098 4.737 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.439 -6.221 4.261 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.422 -4.449 4.995 1.00 0.00 O ATOM 0 H ASP A 181 8.645 -4.984 2.628 1.00 0.00 H new ATOM 0 HA ASP A 181 6.498 -5.818 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.137 -3.376 4.978 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.737 -4.713 6.037 1.00 0.00 H new ATOM 617 N ALA A 182 6.357 -2.953 2.814 1.00 0.00 N ATOM 618 CA ALA A 182 5.424 -1.842 2.477 1.00 0.00 C ATOM 619 C ALA A 182 4.261 -2.403 1.662 1.00 0.00 C ATOM 620 O ALA A 182 3.111 -2.087 1.896 1.00 0.00 O ATOM 621 CB ALA A 182 6.161 -0.783 1.654 1.00 0.00 C ATOM 0 H ALA A 182 7.236 -2.955 2.296 1.00 0.00 H new ATOM 0 HA ALA A 182 5.049 -1.385 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.476 0.029 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.997 -0.390 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.535 -1.232 0.734 1.00 0.00 H new ATOM 627 N ALA A 183 4.554 -3.245 0.716 1.00 0.00 N ATOM 628 CA ALA A 183 3.473 -3.843 -0.109 1.00 0.00 C ATOM 629 C ALA A 183 2.575 -4.684 0.799 1.00 0.00 C ATOM 630 O ALA A 183 1.371 -4.721 0.638 1.00 0.00 O ATOM 631 CB ALA A 183 4.088 -4.730 -1.197 1.00 0.00 C ATOM 0 H ALA A 183 5.499 -3.546 0.477 1.00 0.00 H new ATOM 0 HA ALA A 183 2.887 -3.057 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.294 -5.168 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.738 -4.128 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.670 -5.525 -0.732 1.00 0.00 H new ATOM 637 N LEU A 184 3.156 -5.351 1.759 1.00 0.00 N ATOM 638 CA LEU A 184 2.344 -6.183 2.690 1.00 0.00 C ATOM 639 C LEU A 184 1.425 -5.272 3.503 1.00 0.00 C ATOM 640 O LEU A 184 0.246 -5.526 3.643 1.00 0.00 O ATOM 641 CB LEU A 184 3.277 -6.945 3.632 1.00 0.00 C ATOM 642 CG LEU A 184 3.039 -8.449 3.491 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.832 -9.191 4.568 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.548 -8.749 3.657 1.00 0.00 C ATOM 0 H LEU A 184 4.160 -5.355 1.938 1.00 0.00 H new ATOM 0 HA LEU A 184 1.744 -6.895 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.315 -6.708 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.102 -6.635 4.662 1.00 0.00 H new ATOM 0 HG LEU A 184 3.366 -8.778 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.664 -10.263 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.894 -8.978 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.504 -8.861 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.379 -9.821 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.218 -8.421 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.983 -8.219 2.890 1.00 0.00 H new ATOM 656 N ALA A 185 1.959 -4.207 4.030 1.00 0.00 N ATOM 657 CA ALA A 185 1.122 -3.267 4.826 1.00 0.00 C ATOM 658 C ALA A 185 0.064 -2.652 3.910 1.00 0.00 C ATOM 659 O ALA A 185 -0.939 -2.134 4.358 1.00 0.00 O ATOM 660 CB ALA A 185 2.007 -2.161 5.409 1.00 0.00 C ATOM 0 H ALA A 185 2.941 -3.946 3.944 1.00 0.00 H new ATOM 0 HA ALA A 185 0.637 -3.802 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.394 -1.473 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.767 -2.604 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.491 -1.617 4.598 1.00 0.00 H new ATOM 666 N TYR A 186 0.281 -2.716 2.626 1.00 0.00 N ATOM 667 CA TYR A 186 -0.706 -2.149 1.668 1.00 0.00 C ATOM 668 C TYR A 186 -1.920 -3.072 1.599 1.00 0.00 C ATOM 669 O TYR A 186 -3.045 -2.628 1.503 1.00 0.00 O ATOM 670 CB TYR A 186 -0.062 -2.042 0.284 1.00 0.00 C ATOM 671 CG TYR A 186 -1.089 -1.588 -0.723 1.00 0.00 C ATOM 672 CD1 TYR A 186 -2.112 -2.458 -1.122 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.015 -0.300 -1.265 1.00 0.00 C ATOM 674 CE1 TYR A 186 -3.061 -2.039 -2.062 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.964 0.120 -2.204 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.988 -0.750 -2.604 1.00 0.00 C ATOM 677 OH TYR A 186 -3.924 -0.334 -3.530 1.00 0.00 O ATOM 0 H TYR A 186 1.104 -3.139 2.198 1.00 0.00 H new ATOM 0 HA TYR A 186 -1.019 -1.159 1.999 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.769 -1.337 0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.349 -3.007 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -2.169 -3.452 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.225 0.370 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.850 -2.710 -2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.907 1.115 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.728 0.587 -3.803 1.00 0.00 H new ATOM 687 N ASP A 187 -1.697 -4.356 1.646 1.00 0.00 N ATOM 688 CA ASP A 187 -2.829 -5.315 1.587 1.00 0.00 C ATOM 689 C ASP A 187 -3.741 -5.098 2.795 1.00 0.00 C ATOM 690 O ASP A 187 -4.943 -4.976 2.670 1.00 0.00 O ATOM 691 CB ASP A 187 -2.272 -6.737 1.622 1.00 0.00 C ATOM 692 CG ASP A 187 -1.183 -6.889 0.557 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.271 -6.213 -0.455 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.278 -7.678 0.772 1.00 0.00 O ATOM 0 H ASP A 187 -0.773 -4.782 1.723 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.399 -5.161 0.671 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.862 -6.954 2.609 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.072 -7.456 1.444 1.00 0.00 H new ATOM 699 N ARG A 188 -3.169 -5.054 3.962 1.00 0.00 N ATOM 700 CA ARG A 188 -3.983 -4.849 5.196 1.00 0.00 C ATOM 701 C ARG A 188 -4.876 -3.617 5.033 1.00 0.00 C ATOM 702 O ARG A 188 -6.044 -3.637 5.370 1.00 0.00 O ATOM 703 CB ARG A 188 -3.050 -4.642 6.390 1.00 0.00 C ATOM 704 CG ARG A 188 -3.086 -5.876 7.293 1.00 0.00 C ATOM 705 CD ARG A 188 -2.434 -5.544 8.636 1.00 0.00 C ATOM 706 NE ARG A 188 -1.074 -4.981 8.404 1.00 0.00 N ATOM 707 CZ ARG A 188 -0.365 -4.550 9.410 1.00 0.00 C ATOM 708 NH1 ARG A 188 -0.954 -3.982 10.428 1.00 0.00 N ATOM 709 NH2 ARG A 188 0.933 -4.684 9.400 1.00 0.00 N ATOM 0 H ARG A 188 -2.166 -5.152 4.119 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.608 -5.726 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.033 -4.464 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.354 -3.759 6.952 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -4.116 -6.198 7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.561 -6.704 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -3.047 -4.827 9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.367 -6.441 9.251 1.00 0.00 H new ATOM 0 HE ARG A 188 -0.697 -4.933 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.968 -3.876 10.436 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -0.400 -3.645 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 188 1.394 -5.126 8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 188 1.487 -4.347 10.187 1.00 0.00 H new ATOM 723 N ALA A 189 -4.337 -2.544 4.528 1.00 0.00 N ATOM 724 CA ALA A 189 -5.157 -1.311 4.355 1.00 0.00 C ATOM 725 C ALA A 189 -6.039 -1.448 3.111 1.00 0.00 C ATOM 726 O ALA A 189 -7.021 -0.749 2.954 1.00 0.00 O ATOM 727 CB ALA A 189 -4.232 -0.103 4.192 1.00 0.00 C ATOM 0 H ALA A 189 -3.365 -2.466 4.227 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.789 -1.172 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.831 0.799 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.606 -0.002 5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.600 -0.245 3.316 1.00 0.00 H new ATOM 733 N ALA A 190 -5.697 -2.344 2.227 1.00 0.00 N ATOM 734 CA ALA A 190 -6.512 -2.524 0.993 1.00 0.00 C ATOM 735 C ALA A 190 -7.568 -3.606 1.229 1.00 0.00 C ATOM 736 O ALA A 190 -8.401 -3.865 0.384 1.00 0.00 O ATOM 737 CB ALA A 190 -5.600 -2.946 -0.161 1.00 0.00 C ATOM 0 H ALA A 190 -4.888 -2.960 2.306 1.00 0.00 H new ATOM 0 HA ALA A 190 -7.006 -1.585 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.195 -3.078 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.848 -2.176 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.107 -3.885 0.090 1.00 0.00 H new ATOM 743 N PHE A 191 -7.541 -4.240 2.369 1.00 0.00 N ATOM 744 CA PHE A 191 -8.545 -5.302 2.653 1.00 0.00 C ATOM 745 C PHE A 191 -9.536 -4.793 3.699 1.00 0.00 C ATOM 746 O PHE A 191 -10.689 -5.173 3.714 1.00 0.00 O ATOM 747 CB PHE A 191 -7.832 -6.550 3.179 1.00 0.00 C ATOM 748 CG PHE A 191 -8.540 -7.786 2.685 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.361 -8.214 1.365 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.374 -8.508 3.549 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.016 -9.364 0.905 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.030 -9.658 3.091 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.851 -10.086 1.769 1.00 0.00 C ATOM 0 H PHE A 191 -6.867 -4.068 3.115 1.00 0.00 H new ATOM 0 HA PHE A 191 -9.082 -5.554 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.794 -6.556 2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.816 -6.539 4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.717 -7.657 0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.511 -8.178 4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.878 -9.694 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.673 -10.214 3.757 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.357 -10.972 1.415 1.00 0.00 H new ATOM 763 N ARG A 192 -9.097 -3.924 4.564 1.00 0.00 N ATOM 764 CA ARG A 192 -10.016 -3.372 5.595 1.00 0.00 C ATOM 765 C ARG A 192 -10.763 -2.192 4.983 1.00 0.00 C ATOM 766 O ARG A 192 -11.934 -1.980 5.229 1.00 0.00 O ATOM 767 CB ARG A 192 -9.202 -2.889 6.795 1.00 0.00 C ATOM 768 CG ARG A 192 -10.150 -2.432 7.906 1.00 0.00 C ATOM 769 CD ARG A 192 -9.611 -1.146 8.538 1.00 0.00 C ATOM 770 NE ARG A 192 -8.208 -1.364 8.987 1.00 0.00 N ATOM 771 CZ ARG A 192 -7.971 -1.927 10.140 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.519 -1.451 11.225 1.00 0.00 N ATOM 773 NH2 ARG A 192 -7.185 -2.966 10.209 1.00 0.00 N ATOM 0 H ARG A 192 -8.140 -3.572 4.601 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.719 -4.137 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.559 -3.691 7.158 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.550 -2.068 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -11.147 -2.261 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.243 -3.211 8.663 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -9.651 -0.329 7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.234 -0.855 9.384 1.00 0.00 H new ATOM 0 HE ARG A 192 -7.432 -1.073 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.133 -0.638 11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -8.333 -1.892 12.126 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -6.756 -3.338 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -7.000 -3.406 11.110 1.00 0.00 H new ATOM 787 N MET A 193 -10.082 -1.426 4.178 1.00 0.00 N ATOM 788 CA MET A 193 -10.725 -0.254 3.527 1.00 0.00 C ATOM 789 C MET A 193 -11.582 -0.727 2.353 1.00 0.00 C ATOM 790 O MET A 193 -12.632 -0.179 2.078 1.00 0.00 O ATOM 791 CB MET A 193 -9.644 0.693 3.010 1.00 0.00 C ATOM 792 CG MET A 193 -10.294 1.844 2.241 1.00 0.00 C ATOM 793 SD MET A 193 -9.032 2.713 1.277 1.00 0.00 S ATOM 794 CE MET A 193 -7.967 3.177 2.665 1.00 0.00 C ATOM 0 H MET A 193 -9.099 -1.564 3.942 1.00 0.00 H new ATOM 0 HA MET A 193 -11.353 0.264 4.252 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.060 1.083 3.843 1.00 0.00 H new ATOM 0 HB3 MET A 193 -8.954 0.153 2.362 1.00 0.00 H new ATOM 0 HG2 MET A 193 -11.072 1.461 1.581 1.00 0.00 H new ATOM 0 HG3 MET A 193 -10.776 2.533 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.145 3.794 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.547 3.739 3.397 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.566 2.278 3.133 1.00 0.00 H new ATOM 804 N ARG A 194 -11.148 -1.742 1.657 1.00 0.00 N ATOM 805 CA ARG A 194 -11.944 -2.245 0.505 1.00 0.00 C ATOM 806 C ARG A 194 -12.835 -3.389 0.982 1.00 0.00 C ATOM 807 O ARG A 194 -13.854 -3.688 0.393 1.00 0.00 O ATOM 808 CB ARG A 194 -11.003 -2.754 -0.590 1.00 0.00 C ATOM 809 CG ARG A 194 -10.082 -1.619 -1.043 1.00 0.00 C ATOM 810 CD ARG A 194 -8.976 -2.188 -1.934 1.00 0.00 C ATOM 811 NE ARG A 194 -9.238 -1.810 -3.351 1.00 0.00 N ATOM 812 CZ ARG A 194 -8.316 -1.199 -4.042 1.00 0.00 C ATOM 813 NH1 ARG A 194 -7.116 -1.708 -4.119 1.00 0.00 N ATOM 814 NH2 ARG A 194 -8.592 -0.081 -4.655 1.00 0.00 N ATOM 0 H ARG A 194 -10.278 -2.243 1.837 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.557 -1.439 0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.411 -3.589 -0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.581 -3.127 -1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.653 -0.868 -1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.646 -1.121 -0.177 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.006 -1.805 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -8.938 -3.273 -1.837 1.00 0.00 H new ATOM 0 HE ARG A 194 -10.137 -2.029 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -6.901 -2.582 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -6.394 -1.232 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.530 0.316 -4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -7.870 0.396 -5.195 1.00 0.00 H new ATOM 828 N GLY A 195 -12.452 -4.027 2.052 1.00 0.00 N ATOM 829 CA GLY A 195 -13.266 -5.156 2.583 1.00 0.00 C ATOM 830 C GLY A 195 -13.517 -6.176 1.471 1.00 0.00 C ATOM 831 O GLY A 195 -13.236 -5.932 0.315 1.00 0.00 O ATOM 0 H GLY A 195 -11.608 -3.815 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.747 -5.631 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.215 -4.783 2.969 1.00 0.00 H new ATOM 835 N SER A 196 -14.048 -7.320 1.810 1.00 0.00 N ATOM 836 CA SER A 196 -14.319 -8.354 0.772 1.00 0.00 C ATOM 837 C SER A 196 -13.125 -8.454 -0.179 1.00 0.00 C ATOM 838 O SER A 196 -12.023 -8.061 0.147 1.00 0.00 O ATOM 839 CB SER A 196 -15.569 -7.963 -0.017 1.00 0.00 C ATOM 840 OG SER A 196 -16.212 -6.873 0.632 1.00 0.00 O ATOM 0 H SER A 196 -14.306 -7.583 2.761 1.00 0.00 H new ATOM 0 HA SER A 196 -14.477 -9.319 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.298 -7.686 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 196 -16.249 -8.812 -0.087 1.00 0.00 H new ATOM 0 HG SER A 196 -17.013 -6.619 0.128 1.00 0.00 H new ATOM 846 N ARG A 197 -13.336 -8.980 -1.355 1.00 0.00 N ATOM 847 CA ARG A 197 -12.215 -9.108 -2.327 1.00 0.00 C ATOM 848 C ARG A 197 -11.540 -7.748 -2.513 1.00 0.00 C ATOM 849 O ARG A 197 -12.147 -6.712 -2.328 1.00 0.00 O ATOM 850 CB ARG A 197 -12.761 -9.593 -3.672 1.00 0.00 C ATOM 851 CG ARG A 197 -12.364 -11.054 -3.886 1.00 0.00 C ATOM 852 CD ARG A 197 -13.543 -11.822 -4.486 1.00 0.00 C ATOM 853 NE ARG A 197 -14.194 -10.992 -5.537 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.345 -11.467 -6.743 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.535 -12.745 -6.921 1.00 0.00 N ATOM 856 NH2 ARG A 197 -14.307 -10.663 -7.771 1.00 0.00 N ATOM 0 H ARG A 197 -14.237 -9.327 -1.684 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.487 -9.825 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.846 -9.493 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.368 -8.976 -4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.502 -11.114 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.068 -11.504 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -13.198 -12.763 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -14.263 -12.071 -3.706 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.522 -10.052 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.566 -13.373 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.653 -13.117 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -14.159 -9.663 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -14.425 -11.034 -8.714 1.00 0.00 H new ATOM 870 N ALA A 198 -10.287 -7.743 -2.878 1.00 0.00 N ATOM 871 CA ALA A 198 -9.574 -6.451 -3.076 1.00 0.00 C ATOM 872 C ALA A 198 -8.329 -6.684 -3.933 1.00 0.00 C ATOM 873 O ALA A 198 -7.927 -7.807 -4.168 1.00 0.00 O ATOM 874 CB ALA A 198 -9.158 -5.884 -1.718 1.00 0.00 C ATOM 0 H ALA A 198 -9.727 -8.578 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.235 -5.744 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.636 -4.938 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.044 -5.719 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.497 -6.590 -1.216 1.00 0.00 H new ATOM 880 N LEU A 199 -7.715 -5.634 -4.403 1.00 0.00 N ATOM 881 CA LEU A 199 -6.497 -5.800 -5.244 1.00 0.00 C ATOM 882 C LEU A 199 -5.260 -5.429 -4.425 1.00 0.00 C ATOM 883 O LEU A 199 -4.985 -4.271 -4.184 1.00 0.00 O ATOM 884 CB LEU A 199 -6.591 -4.886 -6.469 1.00 0.00 C ATOM 885 CG LEU A 199 -5.392 -5.135 -7.385 1.00 0.00 C ATOM 886 CD1 LEU A 199 -5.873 -5.740 -8.705 1.00 0.00 C ATOM 887 CD2 LEU A 199 -4.681 -3.808 -7.663 1.00 0.00 C ATOM 0 H LEU A 199 -8.004 -4.669 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.420 -6.837 -5.571 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.519 -5.077 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -6.612 -3.842 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 199 -4.702 -5.825 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -5.018 -5.917 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -6.381 -6.684 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -6.563 -5.051 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -3.826 -3.983 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.373 -3.119 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -4.337 -3.375 -6.723 1.00 0.00 H new ATOM 899 N LEU A 200 -4.511 -6.408 -3.995 1.00 0.00 N ATOM 900 CA LEU A 200 -3.290 -6.114 -3.191 1.00 0.00 C ATOM 901 C LEU A 200 -2.073 -6.724 -3.885 1.00 0.00 C ATOM 902 O LEU A 200 -2.198 -7.584 -4.733 1.00 0.00 O ATOM 903 CB LEU A 200 -3.418 -6.708 -1.779 1.00 0.00 C ATOM 904 CG LEU A 200 -4.732 -7.481 -1.638 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.682 -8.358 -0.386 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.891 -6.489 -1.517 1.00 0.00 C ATOM 0 H LEU A 200 -4.691 -7.397 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.174 -5.033 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.576 -7.371 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.378 -5.910 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.877 -8.112 -2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.619 -8.907 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.855 -9.063 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.537 -7.730 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.829 -7.036 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.742 -5.860 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.929 -5.864 -2.409 1.00 0.00 H new ATOM 918 N ASN A 201 -0.894 -6.294 -3.528 1.00 0.00 N ATOM 919 CA ASN A 201 0.323 -6.868 -4.173 1.00 0.00 C ATOM 920 C ASN A 201 0.426 -8.339 -3.778 1.00 0.00 C ATOM 921 O ASN A 201 0.929 -9.162 -4.516 1.00 0.00 O ATOM 922 CB ASN A 201 1.588 -6.138 -3.704 1.00 0.00 C ATOM 923 CG ASN A 201 1.243 -4.736 -3.205 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.440 -4.454 -1.951 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.794 -3.897 -3.959 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.720 -5.577 -2.824 1.00 0.00 H new ATOM 0 HA ASN A 201 0.240 -6.756 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.068 -6.706 -2.907 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.303 -6.073 -4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.642 -4.124 -4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.569 -2.965 -3.610 1.00 0.00 H new ATOM 932 N PHE A 202 -0.058 -8.671 -2.613 1.00 0.00 N ATOM 933 CA PHE A 202 -0.003 -10.084 -2.152 1.00 0.00 C ATOM 934 C PHE A 202 -1.432 -10.588 -1.928 1.00 0.00 C ATOM 935 O PHE A 202 -1.907 -10.620 -0.810 1.00 0.00 O ATOM 936 CB PHE A 202 0.781 -10.159 -0.838 1.00 0.00 C ATOM 937 CG PHE A 202 2.070 -9.387 -0.973 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.741 -9.357 -2.201 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.598 -8.708 0.131 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.941 -8.648 -2.325 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.799 -7.998 0.007 1.00 0.00 C ATOM 942 CZ PHE A 202 4.471 -7.968 -1.222 1.00 0.00 C ATOM 0 H PHE A 202 -0.491 -8.020 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 202 0.492 -10.702 -2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.184 -9.750 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.992 -11.199 -0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.333 -9.881 -3.053 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.080 -8.731 1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.459 -8.625 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.207 -7.474 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.397 -7.421 -1.318 1.00 0.00 H new ATOM 952 N PRO A 203 -2.077 -10.959 -3.005 1.00 0.00 N ATOM 953 CA PRO A 203 -3.462 -11.459 -2.967 1.00 0.00 C ATOM 954 C PRO A 203 -3.490 -12.908 -2.472 1.00 0.00 C ATOM 955 O PRO A 203 -2.645 -13.708 -2.820 1.00 0.00 O ATOM 956 CB PRO A 203 -3.919 -11.367 -4.426 1.00 0.00 C ATOM 957 CG PRO A 203 -2.632 -11.363 -5.286 1.00 0.00 C ATOM 958 CD PRO A 203 -1.485 -10.919 -4.359 1.00 0.00 C ATOM 0 HA PRO A 203 -4.105 -10.895 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.558 -12.210 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.502 -10.461 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.437 -12.354 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.733 -10.682 -6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.627 -11.587 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.134 -9.918 -4.611 1.00 0.00 H new