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 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=-0.012) 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= 0 X(o=0,f=0) USER MOD Single : A 175 THR OG1 : rot -140:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0.0974 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 147:sc= -0.491 (180deg=-1.79!) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.1! C(o=-10!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.679 -2.786 -6.228 1.00 0.00 N ATOM 41 CA TYR A 146 4.266 -3.055 -5.840 1.00 0.00 C ATOM 42 C TYR A 146 3.444 -1.775 -5.982 1.00 0.00 C ATOM 43 O TYR A 146 3.955 -0.680 -5.854 1.00 0.00 O ATOM 44 CB TYR A 146 4.203 -3.511 -4.382 1.00 0.00 C ATOM 45 CG TYR A 146 5.046 -4.742 -4.187 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.900 -5.837 -5.046 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.960 -4.797 -3.130 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.674 -6.986 -4.852 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.732 -5.945 -2.932 1.00 0.00 C ATOM 50 CZ TYR A 146 6.592 -7.042 -3.793 1.00 0.00 C ATOM 51 OH TYR A 146 7.355 -8.176 -3.599 1.00 0.00 O ATOM 0 HA TYR A 146 3.867 -3.834 -6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.555 -2.713 -3.728 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.170 -3.720 -4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 146 4.190 -5.795 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.069 -3.952 -2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.565 -7.830 -5.517 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.437 -5.987 -2.115 1.00 0.00 H new ATOM 0 HH TYR A 146 7.939 -8.048 -2.823 1.00 0.00 H new ATOM 61 N ARG A 147 2.171 -1.903 -6.229 1.00 0.00 N ATOM 62 CA ARG A 147 1.319 -0.693 -6.361 1.00 0.00 C ATOM 63 C ARG A 147 1.218 -0.006 -5.000 1.00 0.00 C ATOM 64 O ARG A 147 0.943 -0.633 -3.996 1.00 0.00 O ATOM 65 CB ARG A 147 -0.077 -1.100 -6.825 1.00 0.00 C ATOM 66 CG ARG A 147 -0.226 -0.794 -8.313 1.00 0.00 C ATOM 67 CD ARG A 147 -1.455 -1.521 -8.854 1.00 0.00 C ATOM 68 NE ARG A 147 -2.679 -0.984 -8.196 1.00 0.00 N ATOM 69 CZ ARG A 147 -3.587 -1.802 -7.737 1.00 0.00 C ATOM 70 NH1 ARG A 147 -3.310 -2.585 -6.731 1.00 0.00 N ATOM 71 NH2 ARG A 147 -4.772 -1.833 -8.283 1.00 0.00 N ATOM 0 H ARG A 147 1.686 -2.793 -6.345 1.00 0.00 H new ATOM 0 HA ARG A 147 1.758 -0.012 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.237 -2.163 -6.643 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.833 -0.561 -6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.327 0.280 -8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 147 0.666 -1.111 -8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.522 -1.390 -9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.369 -2.592 -8.668 1.00 0.00 H new ATOM 0 HE ARG A 147 -2.808 0.024 -8.104 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.384 -2.558 -6.303 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.019 -3.224 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -4.988 -1.218 -9.068 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -5.482 -2.472 -7.925 1.00 0.00 H new ATOM 85 N GLY A 148 1.437 1.275 -4.954 1.00 0.00 N ATOM 86 CA GLY A 148 1.351 1.996 -3.651 1.00 0.00 C ATOM 87 C GLY A 148 2.725 2.013 -2.975 1.00 0.00 C ATOM 88 O GLY A 148 3.093 2.972 -2.326 1.00 0.00 O ATOM 0 H GLY A 148 1.672 1.856 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 148 1.002 3.016 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.623 1.509 -3.003 1.00 0.00 H new ATOM 92 N VAL A 149 3.487 0.959 -3.112 1.00 0.00 N ATOM 93 CA VAL A 149 4.830 0.930 -2.465 1.00 0.00 C ATOM 94 C VAL A 149 5.840 1.688 -3.324 1.00 0.00 C ATOM 95 O VAL A 149 6.188 1.269 -4.410 1.00 0.00 O ATOM 96 CB VAL A 149 5.305 -0.515 -2.298 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.657 -0.525 -1.584 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.290 -1.297 -1.464 1.00 0.00 C ATOM 0 H VAL A 149 3.239 0.123 -3.641 1.00 0.00 H new ATOM 0 HA VAL A 149 4.752 1.403 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 149 5.403 -0.978 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.997 -1.553 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.385 0.031 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.554 -0.060 -0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.631 -2.326 -1.347 1.00 0.00 H new ATOM 0 HG22 VAL A 149 4.191 -0.833 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.323 -1.290 -1.967 1.00 0.00 H new ATOM 108 N ARG A 150 6.327 2.792 -2.834 1.00 0.00 N ATOM 109 CA ARG A 150 7.334 3.573 -3.603 1.00 0.00 C ATOM 110 C ARG A 150 8.723 3.177 -3.111 1.00 0.00 C ATOM 111 O ARG A 150 9.072 3.404 -1.970 1.00 0.00 O ATOM 112 CB ARG A 150 7.109 5.068 -3.372 1.00 0.00 C ATOM 113 CG ARG A 150 6.242 5.632 -4.499 1.00 0.00 C ATOM 114 CD ARG A 150 7.084 6.563 -5.371 1.00 0.00 C ATOM 115 NE ARG A 150 7.406 7.800 -4.607 1.00 0.00 N ATOM 116 CZ ARG A 150 8.424 8.537 -4.957 1.00 0.00 C ATOM 117 NH1 ARG A 150 9.609 8.002 -5.068 1.00 0.00 N ATOM 118 NH2 ARG A 150 8.257 9.808 -5.195 1.00 0.00 N ATOM 0 H ARG A 150 6.070 3.189 -1.930 1.00 0.00 H new ATOM 0 HA ARG A 150 7.241 3.365 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.624 5.229 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 150 8.065 5.590 -3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.836 4.820 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG A 150 5.393 6.175 -4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 150 8.002 6.061 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 150 6.541 6.816 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 150 6.830 8.071 -3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 150 9.739 7.008 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 150 10.405 8.578 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 150 7.331 10.226 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 150 9.053 10.384 -5.469 1.00 0.00 H new ATOM 132 N GLN A 151 9.511 2.563 -3.947 1.00 0.00 N ATOM 133 CA GLN A 151 10.862 2.134 -3.499 1.00 0.00 C ATOM 134 C GLN A 151 11.921 3.151 -3.915 1.00 0.00 C ATOM 135 O GLN A 151 12.031 3.526 -5.066 1.00 0.00 O ATOM 136 CB GLN A 151 11.202 0.780 -4.118 1.00 0.00 C ATOM 137 CG GLN A 151 11.291 0.919 -5.640 1.00 0.00 C ATOM 138 CD GLN A 151 11.435 -0.466 -6.275 1.00 0.00 C ATOM 139 OE1 GLN A 151 10.556 -1.296 -6.154 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.513 -0.750 -6.953 1.00 0.00 N ATOM 0 H GLN A 151 9.279 2.341 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 151 10.853 2.058 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.149 0.414 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.440 0.046 -3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.399 1.415 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 151 12.143 1.544 -5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 151 13.250 -0.053 -7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 151 12.618 -1.669 -7.382 1.00 0.00 H new ATOM 149 N ARG A 152 12.721 3.572 -2.980 1.00 0.00 N ATOM 150 CA ARG A 152 13.810 4.536 -3.288 1.00 0.00 C ATOM 151 C ARG A 152 14.922 3.757 -3.998 1.00 0.00 C ATOM 152 O ARG A 152 14.882 2.543 -4.028 1.00 0.00 O ATOM 153 CB ARG A 152 14.326 5.115 -1.965 1.00 0.00 C ATOM 154 CG ARG A 152 13.285 6.077 -1.389 1.00 0.00 C ATOM 155 CD ARG A 152 13.977 7.350 -0.897 1.00 0.00 C ATOM 156 NE ARG A 152 13.453 8.522 -1.654 1.00 0.00 N ATOM 157 CZ ARG A 152 14.093 9.658 -1.623 1.00 0.00 C ATOM 158 NH1 ARG A 152 14.371 10.219 -0.477 1.00 0.00 N ATOM 159 NH2 ARG A 152 14.456 10.233 -2.737 1.00 0.00 N ATOM 0 H ARG A 152 12.666 3.286 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 152 13.465 5.352 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 152 14.525 4.311 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 152 15.269 5.637 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 152 12.544 6.325 -2.149 1.00 0.00 H new ATOM 0 HG3 ARG A 152 12.751 5.601 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 152 13.800 7.484 0.170 1.00 0.00 H new ATOM 0 HD3 ARG A 152 15.055 7.267 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 152 12.594 8.436 -2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 152 14.088 9.769 0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 152 14.872 11.107 -0.452 1.00 0.00 H new ATOM 0 HH21 ARG A 152 14.239 9.794 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 152 14.957 11.121 -2.713 1.00 0.00 H new ATOM 173 N PRO A 153 15.889 4.449 -4.546 1.00 0.00 N ATOM 174 CA PRO A 153 17.004 3.784 -5.238 1.00 0.00 C ATOM 175 C PRO A 153 17.884 3.062 -4.217 1.00 0.00 C ATOM 176 O PRO A 153 18.881 3.580 -3.754 1.00 0.00 O ATOM 177 CB PRO A 153 17.738 4.931 -5.941 1.00 0.00 C ATOM 178 CG PRO A 153 17.335 6.223 -5.195 1.00 0.00 C ATOM 179 CD PRO A 153 15.982 5.927 -4.520 1.00 0.00 C ATOM 0 HA PRO A 153 16.693 3.020 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.817 4.782 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.458 4.986 -6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 153 18.087 6.496 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.250 7.061 -5.887 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.951 6.312 -3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.156 6.389 -5.060 1.00 0.00 H new ATOM 187 N TRP A 154 17.498 1.865 -3.853 1.00 0.00 N ATOM 188 CA TRP A 154 18.278 1.092 -2.848 1.00 0.00 C ATOM 189 C TRP A 154 18.252 1.843 -1.517 1.00 0.00 C ATOM 190 O TRP A 154 19.271 2.285 -1.024 1.00 0.00 O ATOM 191 CB TRP A 154 19.724 0.934 -3.327 1.00 0.00 C ATOM 192 CG TRP A 154 19.816 -0.237 -4.254 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.828 -0.159 -5.605 1.00 0.00 C ATOM 194 CD2 TRP A 154 19.909 -1.653 -3.924 1.00 0.00 C ATOM 195 NE1 TRP A 154 19.922 -1.436 -6.126 1.00 0.00 N ATOM 196 CE2 TRP A 154 19.974 -2.393 -5.130 1.00 0.00 C ATOM 197 CE3 TRP A 154 19.940 -2.361 -2.708 1.00 0.00 C ATOM 198 CZ2 TRP A 154 20.068 -3.785 -5.128 1.00 0.00 C ATOM 199 CZ3 TRP A 154 20.035 -3.763 -2.702 1.00 0.00 C ATOM 200 CH2 TRP A 154 20.099 -4.473 -3.910 1.00 0.00 C ATOM 0 H TRP A 154 16.670 1.390 -4.213 1.00 0.00 H new ATOM 0 HA TRP A 154 17.838 0.103 -2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 154 20.051 1.841 -3.836 1.00 0.00 H new ATOM 0 HB3 TRP A 154 20.387 0.790 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.773 0.752 -6.182 1.00 0.00 H new ATOM 0 HE1 TRP A 154 19.950 -1.646 -7.124 1.00 0.00 H new ATOM 0 HE3 TRP A 154 19.890 -1.823 -1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 20.117 -4.328 -6.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 20.059 -4.296 -1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 154 20.172 -5.550 -3.900 1.00 0.00 H new ATOM 211 N GLY A 155 17.093 2.001 -0.934 1.00 0.00 N ATOM 212 CA GLY A 155 17.010 2.735 0.360 1.00 0.00 C ATOM 213 C GLY A 155 15.773 2.296 1.150 1.00 0.00 C ATOM 214 O GLY A 155 15.736 1.222 1.716 1.00 0.00 O ATOM 0 H GLY A 155 16.205 1.655 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.909 2.549 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 155 16.967 3.808 0.174 1.00 0.00 H new ATOM 218 N LYS A 156 14.769 3.131 1.210 1.00 0.00 N ATOM 219 CA LYS A 156 13.543 2.775 1.985 1.00 0.00 C ATOM 220 C LYS A 156 12.361 2.544 1.042 1.00 0.00 C ATOM 221 O LYS A 156 12.511 2.472 -0.158 1.00 0.00 O ATOM 222 CB LYS A 156 13.204 3.927 2.929 1.00 0.00 C ATOM 223 CG LYS A 156 13.566 3.541 4.364 1.00 0.00 C ATOM 224 CD LYS A 156 13.290 4.723 5.295 1.00 0.00 C ATOM 225 CE LYS A 156 12.978 4.204 6.699 1.00 0.00 C ATOM 226 NZ LYS A 156 14.131 4.485 7.599 1.00 0.00 N ATOM 0 H LYS A 156 14.745 4.044 0.756 1.00 0.00 H new ATOM 0 HA LYS A 156 13.732 1.861 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 156 13.750 4.824 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.142 4.164 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 156 12.984 2.674 4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.617 3.257 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 156 14.155 5.386 5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.452 5.309 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.077 4.683 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 156 12.781 3.133 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 13.920 4.132 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.980 4.009 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 14.299 5.511 7.638 1.00 0.00 H new ATOM 240 N PHE A 157 11.179 2.430 1.593 1.00 0.00 N ATOM 241 CA PHE A 157 9.964 2.208 0.754 1.00 0.00 C ATOM 242 C PHE A 157 8.793 2.972 1.378 1.00 0.00 C ATOM 243 O PHE A 157 8.913 3.529 2.452 1.00 0.00 O ATOM 244 CB PHE A 157 9.635 0.711 0.708 1.00 0.00 C ATOM 245 CG PHE A 157 10.689 -0.011 -0.094 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.983 -0.154 0.421 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.374 -0.532 -1.356 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.965 -0.818 -0.324 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.356 -1.198 -2.102 1.00 0.00 C ATOM 250 CZ PHE A 157 12.651 -1.341 -1.586 1.00 0.00 C ATOM 0 H PHE A 157 11.003 2.482 2.596 1.00 0.00 H new ATOM 0 HA PHE A 157 10.143 2.563 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.591 0.306 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.653 0.557 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.224 0.248 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.376 -0.421 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.963 -0.927 0.073 1.00 0.00 H new ATOM 0 HE2 PHE A 157 11.115 -1.601 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.407 -1.854 -2.161 1.00 0.00 H new ATOM 260 N ALA A 158 7.663 3.013 0.725 1.00 0.00 N ATOM 261 CA ALA A 158 6.505 3.752 1.309 1.00 0.00 C ATOM 262 C ALA A 158 5.188 3.121 0.853 1.00 0.00 C ATOM 263 O ALA A 158 4.795 3.237 -0.290 1.00 0.00 O ATOM 264 CB ALA A 158 6.551 5.213 0.853 1.00 0.00 C ATOM 0 H ALA A 158 7.491 2.572 -0.179 1.00 0.00 H new ATOM 0 HA ALA A 158 6.566 3.701 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.706 5.754 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.481 5.670 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.499 5.256 -0.235 1.00 0.00 H new ATOM 270 N ALA A 159 4.493 2.467 1.743 1.00 0.00 N ATOM 271 CA ALA A 159 3.196 1.844 1.362 1.00 0.00 C ATOM 272 C ALA A 159 2.113 2.924 1.349 1.00 0.00 C ATOM 273 O ALA A 159 1.913 3.626 2.321 1.00 0.00 O ATOM 274 CB ALA A 159 2.827 0.762 2.381 1.00 0.00 C ATOM 0 H ALA A 159 4.768 2.338 2.717 1.00 0.00 H new ATOM 0 HA ALA A 159 3.280 1.391 0.374 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.877 0.307 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.604 -0.002 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.737 1.210 3.371 1.00 0.00 H new ATOM 280 N GLU A 160 1.419 3.073 0.254 1.00 0.00 N ATOM 281 CA GLU A 160 0.361 4.120 0.186 1.00 0.00 C ATOM 282 C GLU A 160 -0.847 3.592 -0.591 1.00 0.00 C ATOM 283 O GLU A 160 -0.710 2.970 -1.626 1.00 0.00 O ATOM 284 CB GLU A 160 0.920 5.356 -0.521 1.00 0.00 C ATOM 285 CG GLU A 160 -0.074 6.514 -0.395 1.00 0.00 C ATOM 286 CD GLU A 160 -0.478 6.994 -1.790 1.00 0.00 C ATOM 287 OE1 GLU A 160 -1.242 6.296 -2.436 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.016 8.051 -2.188 1.00 0.00 O ATOM 0 H GLU A 160 1.538 2.518 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 160 0.048 4.382 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.878 5.636 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.104 5.134 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.955 6.192 0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.375 7.333 0.167 1.00 0.00 H new ATOM 295 N ILE A 161 -2.032 3.842 -0.103 1.00 0.00 N ATOM 296 CA ILE A 161 -3.252 3.362 -0.811 1.00 0.00 C ATOM 297 C ILE A 161 -4.221 4.533 -0.993 1.00 0.00 C ATOM 298 O ILE A 161 -4.654 5.145 -0.037 1.00 0.00 O ATOM 299 CB ILE A 161 -3.926 2.265 0.016 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.274 1.906 -0.613 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.149 2.763 1.445 1.00 0.00 C ATOM 302 CD1 ILE A 161 -6.024 0.936 0.304 1.00 0.00 C ATOM 0 H ILE A 161 -2.207 4.360 0.758 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.975 2.960 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.286 1.383 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.866 2.808 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.121 1.452 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.629 1.980 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.190 3.018 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.787 3.646 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.984 0.680 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.433 0.030 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.190 1.406 1.273 1.00 0.00 H new ATOM 314 N ARG A 162 -4.562 4.856 -2.212 1.00 0.00 N ATOM 315 CA ARG A 162 -5.497 5.992 -2.443 1.00 0.00 C ATOM 316 C ARG A 162 -6.940 5.509 -2.284 1.00 0.00 C ATOM 317 O ARG A 162 -7.274 4.392 -2.628 1.00 0.00 O ATOM 318 CB ARG A 162 -5.283 6.554 -3.854 1.00 0.00 C ATOM 319 CG ARG A 162 -5.980 5.664 -4.888 1.00 0.00 C ATOM 320 CD ARG A 162 -5.219 5.724 -6.218 1.00 0.00 C ATOM 321 NE ARG A 162 -4.565 7.055 -6.365 1.00 0.00 N ATOM 322 CZ ARG A 162 -4.920 7.854 -7.334 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.185 8.054 -7.584 1.00 0.00 N ATOM 324 NH2 ARG A 162 -4.011 8.453 -8.052 1.00 0.00 N ATOM 0 H ARG A 162 -4.234 4.383 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.303 6.778 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.676 7.569 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.217 6.612 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.022 4.636 -4.528 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.009 5.994 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.469 4.934 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.904 5.552 -7.048 1.00 0.00 H new ATOM 0 HE ARG A 162 -3.839 7.342 -5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.896 7.586 -7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.463 8.678 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.022 8.297 -7.856 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -4.289 9.077 -8.809 1.00 0.00 H new ATOM 338 N ASP A 163 -7.799 6.341 -1.761 1.00 0.00 N ATOM 339 CA ASP A 163 -9.217 5.931 -1.577 1.00 0.00 C ATOM 340 C ASP A 163 -10.133 6.939 -2.285 1.00 0.00 C ATOM 341 O ASP A 163 -10.166 8.098 -1.920 1.00 0.00 O ATOM 342 CB ASP A 163 -9.545 5.907 -0.083 1.00 0.00 C ATOM 343 CG ASP A 163 -10.819 5.094 0.148 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.457 4.738 -0.830 1.00 0.00 O ATOM 345 OD2 ASP A 163 -11.135 4.838 1.298 1.00 0.00 O ATOM 0 H ASP A 163 -7.578 7.288 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.371 4.939 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.717 5.470 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.678 6.924 0.287 1.00 0.00 H new ATOM 350 N PRO A 164 -10.848 6.472 -3.280 1.00 0.00 N ATOM 351 CA PRO A 164 -11.770 7.322 -4.054 1.00 0.00 C ATOM 352 C PRO A 164 -13.058 7.573 -3.266 1.00 0.00 C ATOM 353 O PRO A 164 -13.683 8.608 -3.391 1.00 0.00 O ATOM 354 CB PRO A 164 -12.048 6.496 -5.314 1.00 0.00 C ATOM 355 CG PRO A 164 -11.747 5.025 -4.944 1.00 0.00 C ATOM 356 CD PRO A 164 -10.810 5.064 -3.723 1.00 0.00 C ATOM 0 HA PRO A 164 -11.359 8.306 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.083 6.612 -5.634 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.419 6.825 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.666 4.488 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.276 4.504 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.152 4.390 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.798 4.757 -3.988 1.00 0.00 H new ATOM 364 N ALA A 165 -13.458 6.635 -2.453 1.00 0.00 N ATOM 365 CA ALA A 165 -14.700 6.821 -1.658 1.00 0.00 C ATOM 366 C ALA A 165 -14.504 7.980 -0.679 1.00 0.00 C ATOM 367 O ALA A 165 -15.447 8.623 -0.263 1.00 0.00 O ATOM 368 CB ALA A 165 -15.008 5.539 -0.881 1.00 0.00 C ATOM 0 H ALA A 165 -12.977 5.748 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.532 7.045 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.919 5.677 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -15.145 4.714 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -14.179 5.312 -0.210 1.00 0.00 H new ATOM 374 N LYS A 166 -13.282 8.255 -0.312 1.00 0.00 N ATOM 375 CA LYS A 166 -13.021 9.376 0.634 1.00 0.00 C ATOM 376 C LYS A 166 -12.827 10.669 -0.158 1.00 0.00 C ATOM 377 O LYS A 166 -11.922 11.438 0.102 1.00 0.00 O ATOM 378 CB LYS A 166 -11.755 9.080 1.441 1.00 0.00 C ATOM 379 CG LYS A 166 -11.893 7.722 2.132 1.00 0.00 C ATOM 380 CD LYS A 166 -12.920 7.827 3.260 1.00 0.00 C ATOM 381 CE LYS A 166 -14.131 6.950 2.929 1.00 0.00 C ATOM 382 NZ LYS A 166 -14.725 6.427 4.191 1.00 0.00 N ATOM 0 H LYS A 166 -12.453 7.751 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.867 9.485 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.885 9.079 0.784 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.593 9.862 2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.204 6.965 1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -10.929 7.405 2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -12.474 7.510 4.203 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -13.232 8.864 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -14.873 7.528 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.830 6.123 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -15.547 5.831 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -14.016 5.861 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -15.027 7.223 4.789 1.00 0.00 H new ATOM 396 N ASN A 167 -13.666 10.915 -1.126 1.00 0.00 N ATOM 397 CA ASN A 167 -13.525 12.156 -1.936 1.00 0.00 C ATOM 398 C ASN A 167 -12.064 12.324 -2.357 1.00 0.00 C ATOM 399 O ASN A 167 -11.455 13.350 -2.129 1.00 0.00 O ATOM 400 CB ASN A 167 -13.958 13.365 -1.103 1.00 0.00 C ATOM 401 CG ASN A 167 -15.035 14.146 -1.859 1.00 0.00 C ATOM 402 OD1 ASN A 167 -14.729 14.967 -2.701 1.00 0.00 O ATOM 403 ND2 ASN A 167 -16.294 13.924 -1.592 1.00 0.00 N ATOM 0 H ASN A 167 -14.443 10.310 -1.391 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.155 12.084 -2.823 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -14.342 13.036 -0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -13.101 14.008 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -17.020 14.440 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -16.552 13.235 -0.885 1.00 0.00 H new ATOM 410 N GLY A 168 -11.497 11.321 -2.971 1.00 0.00 N ATOM 411 CA GLY A 168 -10.075 11.420 -3.406 1.00 0.00 C ATOM 412 C GLY A 168 -9.197 11.771 -2.206 1.00 0.00 C ATOM 413 O GLY A 168 -9.037 12.925 -1.856 1.00 0.00 O ATOM 0 H GLY A 168 -11.957 10.438 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.751 10.475 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.973 12.181 -4.180 1.00 0.00 H new ATOM 417 N ALA A 169 -8.625 10.786 -1.569 1.00 0.00 N ATOM 418 CA ALA A 169 -7.759 11.065 -0.390 1.00 0.00 C ATOM 419 C ALA A 169 -6.643 10.021 -0.316 1.00 0.00 C ATOM 420 O ALA A 169 -6.882 8.860 -0.044 1.00 0.00 O ATOM 421 CB ALA A 169 -8.600 11.005 0.887 1.00 0.00 C ATOM 0 H ALA A 169 -8.720 9.801 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.320 12.058 -0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.966 11.209 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.394 11.750 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.040 10.013 0.987 1.00 0.00 H new ATOM 427 N ARG A 170 -5.425 10.423 -0.554 1.00 0.00 N ATOM 428 CA ARG A 170 -4.294 9.456 -0.496 1.00 0.00 C ATOM 429 C ARG A 170 -4.078 9.017 0.953 1.00 0.00 C ATOM 430 O ARG A 170 -4.245 9.789 1.877 1.00 0.00 O ATOM 431 CB ARG A 170 -3.026 10.128 -1.022 1.00 0.00 C ATOM 432 CG ARG A 170 -2.666 11.311 -0.123 1.00 0.00 C ATOM 433 CD ARG A 170 -2.434 12.552 -0.984 1.00 0.00 C ATOM 434 NE ARG A 170 -2.817 13.769 -0.216 1.00 0.00 N ATOM 435 CZ ARG A 170 -2.902 14.922 -0.821 1.00 0.00 C ATOM 436 NH1 ARG A 170 -1.906 15.352 -1.547 1.00 0.00 N ATOM 437 NH2 ARG A 170 -3.984 15.643 -0.702 1.00 0.00 N ATOM 0 H ARG A 170 -5.164 11.381 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.524 8.585 -1.109 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.205 9.412 -1.045 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -3.180 10.469 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.468 11.496 0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -1.770 11.083 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.387 12.611 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -3.022 12.487 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 170 -3.013 13.701 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -1.062 14.787 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -1.972 16.253 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -4.762 15.305 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -4.051 16.544 -1.175 1.00 0.00 H new ATOM 451 N VAL A 171 -3.712 7.783 1.161 1.00 0.00 N ATOM 452 CA VAL A 171 -3.492 7.298 2.553 1.00 0.00 C ATOM 453 C VAL A 171 -2.069 6.755 2.690 1.00 0.00 C ATOM 454 O VAL A 171 -1.800 5.607 2.395 1.00 0.00 O ATOM 455 CB VAL A 171 -4.502 6.191 2.864 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.146 5.515 4.190 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.899 6.801 2.966 1.00 0.00 C ATOM 0 H VAL A 171 -3.556 7.090 0.429 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.627 8.122 3.254 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.478 5.448 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.870 4.729 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.149 5.081 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.166 6.253 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.623 6.017 3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.914 7.544 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.158 7.277 2.020 1.00 0.00 H new ATOM 467 N TRP A 172 -1.157 7.571 3.143 1.00 0.00 N ATOM 468 CA TRP A 172 0.248 7.100 3.308 1.00 0.00 C ATOM 469 C TRP A 172 0.322 6.156 4.510 1.00 0.00 C ATOM 470 O TRP A 172 0.388 6.583 5.645 1.00 0.00 O ATOM 471 CB TRP A 172 1.168 8.302 3.544 1.00 0.00 C ATOM 472 CG TRP A 172 2.585 7.834 3.655 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.058 7.016 4.623 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.718 8.141 2.790 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.408 6.802 4.408 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.860 7.472 3.292 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.866 8.925 1.630 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.104 7.577 2.669 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.118 9.034 0.998 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.234 8.360 1.518 1.00 0.00 C ATOM 0 H TRP A 172 -1.323 8.542 3.406 1.00 0.00 H new ATOM 0 HA TRP A 172 0.567 6.575 2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.072 9.013 2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.874 8.825 4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.477 6.598 5.432 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.997 6.219 5.003 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.012 9.446 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.960 7.057 3.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.221 9.639 0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.193 8.446 1.029 1.00 0.00 H new ATOM 491 N LEU A 173 0.306 4.874 4.268 1.00 0.00 N ATOM 492 CA LEU A 173 0.368 3.900 5.394 1.00 0.00 C ATOM 493 C LEU A 173 1.637 4.138 6.216 1.00 0.00 C ATOM 494 O LEU A 173 1.604 4.162 7.430 1.00 0.00 O ATOM 495 CB LEU A 173 0.382 2.477 4.834 1.00 0.00 C ATOM 496 CG LEU A 173 -1.031 2.090 4.393 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.986 1.511 2.979 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.595 1.044 5.357 1.00 0.00 C ATOM 0 H LEU A 173 0.253 4.459 3.338 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.504 4.033 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.068 2.413 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.742 1.780 5.591 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.669 2.974 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.993 1.236 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.584 2.257 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.348 0.627 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.602 0.767 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.957 0.161 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.629 1.459 6.365 1.00 0.00 H new ATOM 510 N GLY A 174 2.754 4.311 5.566 1.00 0.00 N ATOM 511 CA GLY A 174 4.020 4.545 6.317 1.00 0.00 C ATOM 512 C GLY A 174 5.200 3.990 5.519 1.00 0.00 C ATOM 513 O GLY A 174 5.031 3.198 4.612 1.00 0.00 O ATOM 0 H GLY A 174 2.846 4.301 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.158 5.612 6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.970 4.063 7.294 1.00 0.00 H new ATOM 517 N THR A 175 6.395 4.398 5.847 1.00 0.00 N ATOM 518 CA THR A 175 7.582 3.890 5.102 1.00 0.00 C ATOM 519 C THR A 175 7.941 2.496 5.617 1.00 0.00 C ATOM 520 O THR A 175 7.583 2.118 6.715 1.00 0.00 O ATOM 521 CB THR A 175 8.773 4.834 5.303 1.00 0.00 C ATOM 522 OG1 THR A 175 9.573 4.361 6.378 1.00 0.00 O ATOM 523 CG2 THR A 175 8.274 6.246 5.621 1.00 0.00 C ATOM 0 H THR A 175 6.601 5.059 6.596 1.00 0.00 H new ATOM 0 HA THR A 175 7.345 3.841 4.039 1.00 0.00 H new ATOM 0 HB THR A 175 9.366 4.863 4.389 1.00 0.00 H new ATOM 0 HG1 THR A 175 9.881 5.120 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.127 6.910 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.663 6.611 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.676 6.224 6.532 1.00 0.00 H new ATOM 531 N PHE A 176 8.640 1.726 4.829 1.00 0.00 N ATOM 532 CA PHE A 176 9.015 0.355 5.271 1.00 0.00 C ATOM 533 C PHE A 176 10.495 0.106 4.970 1.00 0.00 C ATOM 534 O PHE A 176 11.163 0.928 4.375 1.00 0.00 O ATOM 535 CB PHE A 176 8.160 -0.667 4.522 1.00 0.00 C ATOM 536 CG PHE A 176 6.754 -0.625 5.067 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.824 0.285 4.545 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.380 -1.494 6.099 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.522 0.326 5.058 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.077 -1.453 6.611 1.00 0.00 C ATOM 541 CZ PHE A 176 4.148 -0.543 6.091 1.00 0.00 C ATOM 0 H PHE A 176 8.967 1.988 3.899 1.00 0.00 H new ATOM 0 HA PHE A 176 8.845 0.257 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.157 -0.445 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.579 -1.666 4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.112 0.954 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.096 -2.196 6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.806 1.028 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.789 -2.123 7.407 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.143 -0.511 6.486 1.00 0.00 H new ATOM 551 N GLU A 177 11.013 -1.019 5.379 1.00 0.00 N ATOM 552 CA GLU A 177 12.450 -1.315 5.118 1.00 0.00 C ATOM 553 C GLU A 177 12.614 -1.862 3.698 1.00 0.00 C ATOM 554 O GLU A 177 13.630 -1.667 3.062 1.00 0.00 O ATOM 555 CB GLU A 177 12.948 -2.354 6.126 1.00 0.00 C ATOM 556 CG GLU A 177 14.430 -2.637 5.878 1.00 0.00 C ATOM 557 CD GLU A 177 15.251 -1.384 6.192 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.171 -0.439 5.423 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.945 -1.390 7.196 1.00 0.00 O ATOM 0 H GLU A 177 10.504 -1.746 5.882 1.00 0.00 H new ATOM 0 HA GLU A 177 13.032 -0.399 5.221 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.802 -1.989 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.371 -3.274 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.762 -3.467 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.585 -2.936 4.841 1.00 0.00 H new ATOM 566 N THR A 178 11.622 -2.545 3.194 1.00 0.00 N ATOM 567 CA THR A 178 11.729 -3.102 1.814 1.00 0.00 C ATOM 568 C THR A 178 10.367 -3.017 1.121 1.00 0.00 C ATOM 569 O THR A 178 9.356 -2.764 1.746 1.00 0.00 O ATOM 570 CB THR A 178 12.178 -4.564 1.882 1.00 0.00 C ATOM 571 OG1 THR A 178 11.036 -5.403 1.984 1.00 0.00 O ATOM 572 CG2 THR A 178 13.079 -4.772 3.100 1.00 0.00 C ATOM 0 H THR A 178 10.745 -2.741 3.676 1.00 0.00 H new ATOM 0 HA THR A 178 12.461 -2.526 1.248 1.00 0.00 H new ATOM 0 HB THR A 178 12.735 -4.814 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.321 -6.340 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.396 -5.814 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.955 -4.129 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.529 -4.521 4.007 1.00 0.00 H new ATOM 580 N ALA A 179 10.331 -3.228 -0.167 1.00 0.00 N ATOM 581 CA ALA A 179 9.038 -3.161 -0.899 1.00 0.00 C ATOM 582 C ALA A 179 8.145 -4.322 -0.467 1.00 0.00 C ATOM 583 O ALA A 179 6.942 -4.274 -0.602 1.00 0.00 O ATOM 584 CB ALA A 179 9.300 -3.259 -2.403 1.00 0.00 C ATOM 0 H ALA A 179 11.144 -3.444 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 179 8.543 -2.217 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.353 -3.210 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.938 -2.433 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.795 -4.204 -2.625 1.00 0.00 H new ATOM 590 N GLU A 180 8.726 -5.369 0.046 1.00 0.00 N ATOM 591 CA GLU A 180 7.908 -6.538 0.482 1.00 0.00 C ATOM 592 C GLU A 180 7.136 -6.188 1.755 1.00 0.00 C ATOM 593 O GLU A 180 5.999 -6.578 1.929 1.00 0.00 O ATOM 594 CB GLU A 180 8.832 -7.726 0.757 1.00 0.00 C ATOM 595 CG GLU A 180 7.991 -8.986 0.978 1.00 0.00 C ATOM 596 CD GLU A 180 8.334 -9.598 2.337 1.00 0.00 C ATOM 597 OE1 GLU A 180 7.941 -9.021 3.339 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.980 -10.631 2.355 1.00 0.00 O ATOM 0 H GLU A 180 9.732 -5.468 0.183 1.00 0.00 H new ATOM 0 HA GLU A 180 7.200 -6.796 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.513 -7.873 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.446 -7.527 1.635 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.930 -8.740 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 180 8.183 -9.708 0.184 1.00 0.00 H new ATOM 605 N ASP A 181 7.744 -5.461 2.649 1.00 0.00 N ATOM 606 CA ASP A 181 7.047 -5.093 3.912 1.00 0.00 C ATOM 607 C ASP A 181 6.022 -3.990 3.633 1.00 0.00 C ATOM 608 O ASP A 181 4.950 -3.970 4.202 1.00 0.00 O ATOM 609 CB ASP A 181 8.073 -4.594 4.931 1.00 0.00 C ATOM 610 CG ASP A 181 9.411 -5.304 4.709 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.403 -6.519 4.595 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.421 -4.621 4.655 1.00 0.00 O ATOM 0 H ASP A 181 8.696 -5.105 2.559 1.00 0.00 H new ATOM 0 HA ASP A 181 6.533 -5.968 4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.202 -3.516 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.715 -4.781 5.943 1.00 0.00 H new ATOM 617 N ALA A 182 6.339 -3.073 2.759 1.00 0.00 N ATOM 618 CA ALA A 182 5.375 -1.980 2.449 1.00 0.00 C ATOM 619 C ALA A 182 4.212 -2.551 1.636 1.00 0.00 C ATOM 620 O ALA A 182 3.078 -2.137 1.777 1.00 0.00 O ATOM 621 CB ALA A 182 6.078 -0.887 1.641 1.00 0.00 C ATOM 0 H ALA A 182 7.221 -3.034 2.248 1.00 0.00 H new ATOM 0 HA ALA A 182 4.998 -1.552 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.370 -0.089 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 182 6.908 -0.483 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.457 -1.309 0.710 1.00 0.00 H new ATOM 627 N ALA A 183 4.486 -3.508 0.793 1.00 0.00 N ATOM 628 CA ALA A 183 3.400 -4.118 -0.025 1.00 0.00 C ATOM 629 C ALA A 183 2.531 -4.987 0.882 1.00 0.00 C ATOM 630 O ALA A 183 1.321 -5.011 0.764 1.00 0.00 O ATOM 631 CB ALA A 183 4.013 -4.985 -1.129 1.00 0.00 C ATOM 0 H ALA A 183 5.417 -3.895 0.635 1.00 0.00 H new ATOM 0 HA ALA A 183 2.795 -3.334 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.217 -5.430 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.644 -4.368 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.615 -5.775 -0.679 1.00 0.00 H new ATOM 637 N LEU A 184 3.143 -5.694 1.791 1.00 0.00 N ATOM 638 CA LEU A 184 2.366 -6.559 2.720 1.00 0.00 C ATOM 639 C LEU A 184 1.462 -5.675 3.579 1.00 0.00 C ATOM 640 O LEU A 184 0.303 -5.974 3.799 1.00 0.00 O ATOM 641 CB LEU A 184 3.340 -7.337 3.608 1.00 0.00 C ATOM 642 CG LEU A 184 3.101 -8.839 3.440 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.863 -9.602 4.525 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.605 -9.137 3.564 1.00 0.00 C ATOM 0 H LEU A 184 4.153 -5.709 1.930 1.00 0.00 H new ATOM 0 HA LEU A 184 1.752 -7.264 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.368 -7.090 3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.204 -7.051 4.651 1.00 0.00 H new ATOM 0 HG LEU A 184 3.454 -9.153 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.693 -10.672 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.929 -9.392 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.511 -9.286 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.436 -10.207 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.251 -8.821 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 184 1.061 -8.595 2.791 1.00 0.00 H new ATOM 656 N ALA A 185 1.982 -4.577 4.054 1.00 0.00 N ATOM 657 CA ALA A 185 1.155 -3.659 4.883 1.00 0.00 C ATOM 658 C ALA A 185 0.070 -3.043 4.000 1.00 0.00 C ATOM 659 O ALA A 185 -1.029 -2.771 4.442 1.00 0.00 O ATOM 660 CB ALA A 185 2.040 -2.550 5.456 1.00 0.00 C ATOM 0 H ALA A 185 2.945 -4.277 3.903 1.00 0.00 H new ATOM 0 HA ALA A 185 0.697 -4.211 5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.434 -1.878 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.822 -2.991 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.496 -1.990 4.640 1.00 0.00 H new ATOM 666 N TYR A 186 0.372 -2.830 2.748 1.00 0.00 N ATOM 667 CA TYR A 186 -0.633 -2.240 1.821 1.00 0.00 C ATOM 668 C TYR A 186 -1.822 -3.193 1.698 1.00 0.00 C ATOM 669 O TYR A 186 -2.941 -2.778 1.484 1.00 0.00 O ATOM 670 CB TYR A 186 0.003 -2.042 0.443 1.00 0.00 C ATOM 671 CG TYR A 186 -1.063 -1.665 -0.558 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.945 -2.640 -1.037 1.00 0.00 C ATOM 673 CD2 TYR A 186 -1.167 -0.342 -1.006 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.935 -2.294 -1.965 1.00 0.00 C ATOM 675 CE2 TYR A 186 -2.158 0.006 -1.934 1.00 0.00 C ATOM 676 CZ TYR A 186 -3.042 -0.970 -2.414 1.00 0.00 C ATOM 677 OH TYR A 186 -4.018 -0.629 -3.328 1.00 0.00 O ATOM 0 H TYR A 186 1.277 -3.041 2.326 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.971 -1.279 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.763 -1.262 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.505 -2.957 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.862 -3.660 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.484 0.409 -0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.616 -3.047 -2.335 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -2.240 1.026 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.955 0.327 -3.533 1.00 0.00 H new ATOM 687 N ASP A 187 -1.584 -4.468 1.826 1.00 0.00 N ATOM 688 CA ASP A 187 -2.690 -5.454 1.716 1.00 0.00 C ATOM 689 C ASP A 187 -3.612 -5.330 2.929 1.00 0.00 C ATOM 690 O ASP A 187 -4.820 -5.393 2.817 1.00 0.00 O ATOM 691 CB ASP A 187 -2.090 -6.858 1.683 1.00 0.00 C ATOM 692 CG ASP A 187 -1.285 -7.042 0.397 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.026 -6.048 -0.265 1.00 0.00 O ATOM 694 OD2 ASP A 187 -0.939 -8.172 0.095 1.00 0.00 O ATOM 0 H ASP A 187 -0.664 -4.870 2.003 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.263 -5.267 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.448 -7.010 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.882 -7.604 1.738 1.00 0.00 H new ATOM 699 N ARG A 188 -3.043 -5.169 4.089 1.00 0.00 N ATOM 700 CA ARG A 188 -3.869 -5.057 5.326 1.00 0.00 C ATOM 701 C ARG A 188 -4.749 -3.803 5.275 1.00 0.00 C ATOM 702 O ARG A 188 -5.892 -3.823 5.684 1.00 0.00 O ATOM 703 CB ARG A 188 -2.945 -4.981 6.544 1.00 0.00 C ATOM 704 CG ARG A 188 -2.642 -6.395 7.047 1.00 0.00 C ATOM 705 CD ARG A 188 -1.260 -6.420 7.703 1.00 0.00 C ATOM 706 NE ARG A 188 -1.300 -5.652 8.978 1.00 0.00 N ATOM 707 CZ ARG A 188 -2.205 -5.926 9.878 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.529 -7.166 10.123 1.00 0.00 N ATOM 709 NH2 ARG A 188 -2.786 -4.959 10.533 1.00 0.00 N ATOM 0 H ARG A 188 -2.035 -5.110 4.237 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.514 -5.933 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.018 -4.472 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.415 -4.396 7.334 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.402 -6.708 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.675 -7.102 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -0.956 -7.449 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -0.519 -5.989 7.030 1.00 0.00 H new ATOM 0 HE ARG A 188 -0.620 -4.911 9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.075 -7.922 9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -3.236 -7.379 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -2.533 -3.990 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -3.493 -5.172 11.236 1.00 0.00 H new ATOM 723 N ALA A 189 -4.229 -2.711 4.790 1.00 0.00 N ATOM 724 CA ALA A 189 -5.047 -1.461 4.734 1.00 0.00 C ATOM 725 C ALA A 189 -5.945 -1.480 3.495 1.00 0.00 C ATOM 726 O ALA A 189 -6.989 -0.855 3.463 1.00 0.00 O ATOM 727 CB ALA A 189 -4.119 -0.246 4.671 1.00 0.00 C ATOM 0 H ALA A 189 -3.278 -2.626 4.431 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.669 -1.401 5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.715 0.666 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.485 -0.226 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.494 -0.311 3.780 1.00 0.00 H new ATOM 733 N ALA A 190 -5.551 -2.189 2.477 1.00 0.00 N ATOM 734 CA ALA A 190 -6.381 -2.244 1.242 1.00 0.00 C ATOM 735 C ALA A 190 -7.474 -3.295 1.414 1.00 0.00 C ATOM 736 O ALA A 190 -8.455 -3.301 0.704 1.00 0.00 O ATOM 737 CB ALA A 190 -5.499 -2.614 0.048 1.00 0.00 C ATOM 0 H ALA A 190 -4.689 -2.734 2.446 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.836 -1.270 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.108 -2.654 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.718 -1.864 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.042 -3.588 0.221 1.00 0.00 H new ATOM 743 N PHE A 191 -7.316 -4.185 2.353 1.00 0.00 N ATOM 744 CA PHE A 191 -8.355 -5.228 2.563 1.00 0.00 C ATOM 745 C PHE A 191 -9.444 -4.671 3.478 1.00 0.00 C ATOM 746 O PHE A 191 -10.614 -4.955 3.315 1.00 0.00 O ATOM 747 CB PHE A 191 -7.720 -6.462 3.209 1.00 0.00 C ATOM 748 CG PHE A 191 -8.573 -7.674 2.930 1.00 0.00 C ATOM 749 CD1 PHE A 191 -8.492 -8.314 1.687 1.00 0.00 C ATOM 750 CD2 PHE A 191 -9.445 -8.159 3.913 1.00 0.00 C ATOM 751 CE1 PHE A 191 -9.283 -9.441 1.427 1.00 0.00 C ATOM 752 CE2 PHE A 191 -10.236 -9.285 3.654 1.00 0.00 C ATOM 753 CZ PHE A 191 -10.155 -9.927 2.410 1.00 0.00 C ATOM 0 H PHE A 191 -6.515 -4.235 2.982 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.791 -5.511 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.715 -6.614 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.623 -6.313 4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.820 -7.939 0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.507 -7.664 4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -9.220 -9.935 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -10.908 -9.659 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.765 -10.796 2.210 1.00 0.00 H new ATOM 763 N ARG A 192 -9.068 -3.872 4.437 1.00 0.00 N ATOM 764 CA ARG A 192 -10.080 -3.288 5.358 1.00 0.00 C ATOM 765 C ARG A 192 -10.973 -2.329 4.574 1.00 0.00 C ATOM 766 O ARG A 192 -12.177 -2.304 4.740 1.00 0.00 O ATOM 767 CB ARG A 192 -9.371 -2.524 6.478 1.00 0.00 C ATOM 768 CG ARG A 192 -10.281 -2.455 7.706 1.00 0.00 C ATOM 769 CD ARG A 192 -9.738 -1.413 8.686 1.00 0.00 C ATOM 770 NE ARG A 192 -9.750 -1.975 10.066 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.559 -1.193 11.095 1.00 0.00 C ATOM 772 NH1 ARG A 192 -9.302 0.076 10.916 1.00 0.00 N ATOM 773 NH2 ARG A 192 -9.625 -1.679 12.303 1.00 0.00 N ATOM 0 H ARG A 192 -8.103 -3.598 4.622 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.685 -4.084 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.434 -3.019 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.118 -1.518 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -11.296 -2.193 7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -10.333 -3.431 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.723 -1.129 8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.345 -0.509 8.645 1.00 0.00 H new ATOM 0 HE ARG A 192 -9.908 -2.973 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -9.250 0.458 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.153 0.685 11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -9.826 -2.669 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -9.476 -1.069 13.107 1.00 0.00 H new ATOM 787 N MET A 193 -10.389 -1.541 3.717 1.00 0.00 N ATOM 788 CA MET A 193 -11.195 -0.579 2.913 1.00 0.00 C ATOM 789 C MET A 193 -11.830 -1.311 1.730 1.00 0.00 C ATOM 790 O MET A 193 -12.979 -1.098 1.396 1.00 0.00 O ATOM 791 CB MET A 193 -10.285 0.529 2.389 1.00 0.00 C ATOM 792 CG MET A 193 -11.132 1.737 1.984 1.00 0.00 C ATOM 793 SD MET A 193 -11.112 2.960 3.318 1.00 0.00 S ATOM 794 CE MET A 193 -9.371 3.429 3.170 1.00 0.00 C ATOM 0 H MET A 193 -9.385 -1.521 3.537 1.00 0.00 H new ATOM 0 HA MET A 193 -11.977 -0.148 3.538 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.566 0.817 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.712 0.170 1.534 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.742 2.177 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 193 -12.156 1.425 1.778 1.00 0.00 H new ATOM 0 HE1 MET A 193 -9.255 4.483 3.424 1.00 0.00 H new ATOM 0 HE2 MET A 193 -8.772 2.824 3.850 1.00 0.00 H new ATOM 0 HE3 MET A 193 -9.035 3.264 2.146 1.00 0.00 H new ATOM 804 N ARG A 194 -11.088 -2.173 1.098 1.00 0.00 N ATOM 805 CA ARG A 194 -11.637 -2.926 -0.062 1.00 0.00 C ATOM 806 C ARG A 194 -12.030 -4.329 0.398 1.00 0.00 C ATOM 807 O ARG A 194 -11.924 -5.289 -0.340 1.00 0.00 O ATOM 808 CB ARG A 194 -10.573 -3.021 -1.159 1.00 0.00 C ATOM 809 CG ARG A 194 -10.005 -1.627 -1.441 1.00 0.00 C ATOM 810 CD ARG A 194 -9.328 -1.618 -2.813 1.00 0.00 C ATOM 811 NE ARG A 194 -8.159 -0.693 -2.785 1.00 0.00 N ATOM 812 CZ ARG A 194 -7.767 -0.100 -3.879 1.00 0.00 C ATOM 813 NH1 ARG A 194 -7.984 -0.659 -5.039 1.00 0.00 N ATOM 814 NH2 ARG A 194 -7.159 1.053 -3.815 1.00 0.00 N ATOM 0 H ARG A 194 -10.120 -2.390 1.336 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.513 -2.411 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -9.774 -3.695 -0.849 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.008 -3.439 -2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -10.803 -0.885 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.287 -1.352 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -9.003 -2.624 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -10.037 -1.302 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 194 -7.665 -0.523 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -8.460 -1.560 -5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -7.677 -0.195 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -6.990 1.491 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -6.853 1.516 -4.671 1.00 0.00 H new ATOM 828 N GLY A 195 -12.477 -4.448 1.620 1.00 0.00 N ATOM 829 CA GLY A 195 -12.879 -5.783 2.156 1.00 0.00 C ATOM 830 C GLY A 195 -13.610 -6.583 1.074 1.00 0.00 C ATOM 831 O GLY A 195 -14.081 -6.039 0.094 1.00 0.00 O ATOM 0 H GLY A 195 -12.582 -3.673 2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.998 -6.330 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.525 -5.656 3.025 1.00 0.00 H new ATOM 835 N SER A 196 -13.703 -7.876 1.242 1.00 0.00 N ATOM 836 CA SER A 196 -14.396 -8.716 0.224 1.00 0.00 C ATOM 837 C SER A 196 -13.470 -8.906 -0.978 1.00 0.00 C ATOM 838 O SER A 196 -13.531 -8.170 -1.944 1.00 0.00 O ATOM 839 CB SER A 196 -15.683 -8.023 -0.227 1.00 0.00 C ATOM 840 OG SER A 196 -16.748 -8.963 -0.223 1.00 0.00 O ATOM 0 H SER A 196 -13.328 -8.386 2.042 1.00 0.00 H new ATOM 0 HA SER A 196 -14.645 -9.685 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.914 -7.191 0.438 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.554 -7.606 -1.226 1.00 0.00 H new ATOM 0 HG SER A 196 -17.575 -8.522 -0.510 1.00 0.00 H new ATOM 846 N ARG A 197 -12.605 -9.883 -0.925 1.00 0.00 N ATOM 847 CA ARG A 197 -11.667 -10.113 -2.060 1.00 0.00 C ATOM 848 C ARG A 197 -10.620 -8.999 -2.074 1.00 0.00 C ATOM 849 O ARG A 197 -9.539 -9.143 -1.538 1.00 0.00 O ATOM 850 CB ARG A 197 -12.444 -10.107 -3.378 1.00 0.00 C ATOM 851 CG ARG A 197 -12.361 -11.491 -4.025 1.00 0.00 C ATOM 852 CD ARG A 197 -13.030 -12.521 -3.115 1.00 0.00 C ATOM 853 NE ARG A 197 -14.451 -12.700 -3.526 1.00 0.00 N ATOM 854 CZ ARG A 197 -14.934 -13.900 -3.698 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.332 -14.736 -4.498 1.00 0.00 N ATOM 856 NH2 ARG A 197 -16.017 -14.263 -3.068 1.00 0.00 N ATOM 0 H ARG A 197 -12.508 -10.532 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 197 -11.175 -11.078 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.485 -9.840 -3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.034 -9.354 -4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.850 -11.479 -4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.319 -11.763 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.501 -13.472 -3.174 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.979 -12.192 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 197 -15.046 -11.885 -3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -13.484 -14.452 -4.989 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -14.709 -15.674 -4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -16.486 -13.609 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -16.395 -15.201 -3.202 1.00 0.00 H new ATOM 870 N ALA A 198 -10.936 -7.884 -2.670 1.00 0.00 N ATOM 871 CA ALA A 198 -9.966 -6.756 -2.705 1.00 0.00 C ATOM 872 C ALA A 198 -8.756 -7.131 -3.562 1.00 0.00 C ATOM 873 O ALA A 198 -8.510 -8.289 -3.838 1.00 0.00 O ATOM 874 CB ALA A 198 -9.502 -6.451 -1.282 1.00 0.00 C ATOM 0 H ALA A 198 -11.826 -7.705 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.449 -5.879 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.791 -5.625 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.361 -6.176 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -9.022 -7.334 -0.859 1.00 0.00 H new ATOM 880 N LEU A 199 -7.996 -6.155 -3.980 1.00 0.00 N ATOM 881 CA LEU A 199 -6.797 -6.441 -4.815 1.00 0.00 C ATOM 882 C LEU A 199 -5.541 -6.009 -4.055 1.00 0.00 C ATOM 883 O LEU A 199 -5.322 -4.837 -3.817 1.00 0.00 O ATOM 884 CB LEU A 199 -6.889 -5.658 -6.126 1.00 0.00 C ATOM 885 CG LEU A 199 -7.410 -6.573 -7.233 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.772 -5.735 -8.461 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.326 -7.586 -7.608 1.00 0.00 C ATOM 0 H LEU A 199 -8.156 -5.168 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.749 -7.508 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.553 -4.802 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.909 -5.265 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.296 -7.101 -6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.144 -6.388 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.544 -5.013 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -6.887 -5.206 -8.814 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.696 -8.240 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -5.440 -7.057 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -6.068 -8.184 -6.734 1.00 0.00 H new ATOM 899 N LEU A 200 -4.716 -6.942 -3.672 1.00 0.00 N ATOM 900 CA LEU A 200 -3.476 -6.578 -2.926 1.00 0.00 C ATOM 901 C LEU A 200 -2.256 -7.111 -3.675 1.00 0.00 C ATOM 902 O LEU A 200 -2.354 -8.017 -4.478 1.00 0.00 O ATOM 903 CB LEU A 200 -3.498 -7.182 -1.514 1.00 0.00 C ATOM 904 CG LEU A 200 -4.718 -8.087 -1.328 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.491 -9.009 -0.129 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.959 -7.228 -1.077 1.00 0.00 C ATOM 0 H LEU A 200 -4.845 -7.940 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.425 -5.492 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.586 -7.754 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.516 -6.383 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.864 -8.685 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.360 -9.654 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.607 -9.622 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.344 -8.409 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.827 -7.873 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.811 -6.629 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -6.123 -6.569 -1.929 1.00 0.00 H new ATOM 918 N ASN A 201 -1.101 -6.563 -3.411 1.00 0.00 N ATOM 919 CA ASN A 201 0.124 -7.058 -4.108 1.00 0.00 C ATOM 920 C ASN A 201 0.288 -8.543 -3.791 1.00 0.00 C ATOM 921 O ASN A 201 0.764 -9.317 -4.600 1.00 0.00 O ATOM 922 CB ASN A 201 1.371 -6.301 -3.627 1.00 0.00 C ATOM 923 CG ASN A 201 0.989 -4.931 -3.069 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.262 -4.659 -1.824 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.439 -4.103 -3.768 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.951 -5.801 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 201 0.016 -6.897 -5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.882 -6.882 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.071 -6.180 -4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.226 -4.318 -4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.190 -3.193 -3.381 1.00 0.00 H new ATOM 932 N PHE A 202 -0.110 -8.943 -2.616 1.00 0.00 N ATOM 933 CA PHE A 202 0.008 -10.373 -2.225 1.00 0.00 C ATOM 934 C PHE A 202 -1.393 -10.937 -1.976 1.00 0.00 C ATOM 935 O PHE A 202 -1.888 -10.896 -0.866 1.00 0.00 O ATOM 936 CB PHE A 202 0.845 -10.479 -0.948 1.00 0.00 C ATOM 937 CG PHE A 202 2.120 -9.692 -1.118 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.691 -9.557 -2.390 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.733 -9.101 -0.007 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.875 -8.829 -2.551 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.919 -8.372 -0.168 1.00 0.00 C ATOM 942 CZ PHE A 202 4.490 -8.236 -1.440 1.00 0.00 C ATOM 0 H PHE A 202 -0.515 -8.335 -1.905 1.00 0.00 H new ATOM 0 HA PHE A 202 0.493 -10.940 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.280 -10.098 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.075 -11.523 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.218 -10.015 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.292 -9.207 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.315 -8.724 -3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.393 -7.915 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.404 -7.674 -1.564 1.00 0.00 H new ATOM 952 N PRO A 203 -1.996 -11.439 -3.024 1.00 0.00 N ATOM 953 CA PRO A 203 -3.352 -12.010 -2.964 1.00 0.00 C ATOM 954 C PRO A 203 -3.323 -13.405 -2.331 1.00 0.00 C ATOM 955 O PRO A 203 -2.293 -13.880 -1.897 1.00 0.00 O ATOM 956 CB PRO A 203 -3.775 -12.085 -4.434 1.00 0.00 C ATOM 957 CG PRO A 203 -2.471 -12.093 -5.264 1.00 0.00 C ATOM 958 CD PRO A 203 -1.377 -11.485 -4.365 1.00 0.00 C ATOM 0 HA PRO A 203 -4.038 -11.419 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.362 -12.984 -4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.401 -11.234 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.208 -13.108 -5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.589 -11.512 -6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.475 -12.096 -4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.089 -10.490 -4.705 1.00 0.00 H new