USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 323 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 132 MET CE :methyl -162:sc= -3.32! (180deg=-4.27!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 144:sc= 1.37 (180deg=1.11) USER MOD Single : A 150 GLN : amide:sc= 0.0296 K(o=0.03,f=-1.7!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 130 6.051 4.782 3.953 1.00 0.00 N ATOM 82 CA ILE A 130 6.509 5.094 2.604 1.00 0.00 C ATOM 83 C ILE A 130 5.601 4.460 1.555 1.00 0.00 C ATOM 84 O ILE A 130 5.472 3.238 1.487 1.00 0.00 O ATOM 85 CB ILE A 130 7.954 4.611 2.377 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.860 5.088 3.514 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.474 5.105 1.035 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.025 4.071 4.622 1.00 0.00 C ATOM 0 HA ILE A 130 6.476 6.179 2.501 1.00 0.00 H new ATOM 0 HB ILE A 130 7.959 3.521 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.841 5.333 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.450 6.007 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.496 4.755 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.841 4.719 0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.457 6.195 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.679 4.477 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.051 3.844 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 130 9.464 3.159 4.217 1.00 0.00 H new ATOM 100 N ALA A 131 4.975 5.300 0.736 1.00 0.00 N ATOM 101 CA ALA A 131 4.080 4.823 -0.311 1.00 0.00 C ATOM 102 C ALA A 131 3.688 5.955 -1.254 1.00 0.00 C ATOM 103 O ALA A 131 3.737 7.129 -0.884 1.00 0.00 O ATOM 104 CB ALA A 131 2.839 4.190 0.302 1.00 0.00 C ATOM 0 H ALA A 131 5.072 6.315 0.778 1.00 0.00 H new ATOM 0 HA ALA A 131 4.610 4.068 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.180 3.838 -0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.132 3.348 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.315 4.929 0.908 1.00 0.00 H new ATOM 110 N MET A 132 3.300 5.595 -2.473 1.00 0.00 N ATOM 111 CA MET A 132 2.899 6.581 -3.469 1.00 0.00 C ATOM 112 C MET A 132 1.442 6.990 -3.273 1.00 0.00 C ATOM 113 O MET A 132 0.634 6.213 -2.767 1.00 0.00 O ATOM 114 CB MET A 132 3.100 6.024 -4.880 1.00 0.00 C ATOM 115 CG MET A 132 4.534 6.122 -5.375 1.00 0.00 C ATOM 116 SD MET A 132 5.704 5.282 -4.291 1.00 0.00 S ATOM 117 CE MET A 132 5.076 3.605 -4.351 1.00 0.00 C ATOM 0 H MET A 132 3.255 4.628 -2.795 1.00 0.00 H new ATOM 0 HA MET A 132 3.526 7.464 -3.343 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.789 4.979 -4.897 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.449 6.561 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.599 5.693 -6.375 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.814 7.172 -5.460 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.473 3.038 -3.509 1.00 0.00 H new ATOM 0 HE2 MET A 132 3.988 3.622 -4.296 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.385 3.134 -5.284 1.00 0.00 H new ATOM 127 N PRO A 133 1.085 8.223 -3.675 1.00 0.00 N ATOM 128 CA PRO A 133 -0.285 8.730 -3.541 1.00 0.00 C ATOM 129 C PRO A 133 -1.312 7.782 -4.146 1.00 0.00 C ATOM 130 O PRO A 133 -2.417 7.633 -3.624 1.00 0.00 O ATOM 131 CB PRO A 133 -0.254 10.051 -4.315 1.00 0.00 C ATOM 132 CG PRO A 133 1.172 10.479 -4.277 1.00 0.00 C ATOM 133 CD PRO A 133 1.985 9.216 -4.292 1.00 0.00 C ATOM 0 HA PRO A 133 -0.579 8.841 -2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.600 9.917 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.903 10.795 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.413 11.108 -5.134 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.379 11.066 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.264 8.930 -5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.910 9.327 -3.726 1.00 0.00 H new ATOM 141 N SER A 134 -0.942 7.142 -5.251 1.00 0.00 N ATOM 142 CA SER A 134 -1.833 6.206 -5.925 1.00 0.00 C ATOM 143 C SER A 134 -2.137 5.008 -5.032 1.00 0.00 C ATOM 144 O SER A 134 -3.237 4.458 -5.066 1.00 0.00 O ATOM 145 CB SER A 134 -1.211 5.733 -7.241 1.00 0.00 C ATOM 146 OG SER A 134 -0.147 4.826 -7.005 1.00 0.00 O ATOM 0 H SER A 134 -0.032 7.255 -5.698 1.00 0.00 H new ATOM 0 HA SER A 134 -2.768 6.723 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.973 5.253 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.843 6.592 -7.803 1.00 0.00 H new ATOM 0 HG SER A 134 0.233 4.537 -7.861 1.00 0.00 H new ATOM 152 N VAL A 135 -1.153 4.610 -4.231 1.00 0.00 N ATOM 153 CA VAL A 135 -1.314 3.479 -3.328 1.00 0.00 C ATOM 154 C VAL A 135 -2.170 3.859 -2.129 1.00 0.00 C ATOM 155 O VAL A 135 -3.110 3.147 -1.775 1.00 0.00 O ATOM 156 CB VAL A 135 0.048 2.953 -2.840 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.129 1.729 -1.953 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.940 2.635 -4.028 1.00 0.00 C ATOM 0 H VAL A 135 -0.236 5.055 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.814 2.688 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 135 0.526 3.730 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.847 1.376 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.734 1.993 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.627 0.940 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.901 2.264 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.464 1.875 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.096 3.538 -4.618 1.00 0.00 H new ATOM 168 N ARG A 136 -1.852 4.991 -1.516 1.00 0.00 N ATOM 169 CA ARG A 136 -2.609 5.469 -0.366 1.00 0.00 C ATOM 170 C ARG A 136 -4.063 5.677 -0.757 1.00 0.00 C ATOM 171 O ARG A 136 -4.978 5.222 -0.070 1.00 0.00 O ATOM 172 CB ARG A 136 -2.015 6.776 0.163 1.00 0.00 C ATOM 173 CG ARG A 136 -0.962 6.571 1.237 1.00 0.00 C ATOM 174 CD ARG A 136 -1.516 6.858 2.626 1.00 0.00 C ATOM 175 NE ARG A 136 -0.554 7.575 3.461 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.129 8.811 3.206 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.576 9.469 2.145 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.747 9.389 4.017 1.00 0.00 N ATOM 0 H ARG A 136 -1.078 5.594 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.554 4.721 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.574 7.327 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.818 7.394 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.594 5.546 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.111 7.223 1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.429 7.447 2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.787 5.919 3.109 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.187 7.101 4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.250 9.029 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.246 10.415 1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 136 1.094 8.887 4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.074 10.336 3.823 1.00 0.00 H new ATOM 192 N LYS A 137 -4.262 6.351 -1.882 1.00 0.00 N ATOM 193 CA LYS A 137 -5.601 6.604 -2.392 1.00 0.00 C ATOM 194 C LYS A 137 -6.288 5.282 -2.715 1.00 0.00 C ATOM 195 O LYS A 137 -7.478 5.105 -2.456 1.00 0.00 O ATOM 196 CB LYS A 137 -5.534 7.499 -3.638 1.00 0.00 C ATOM 197 CG LYS A 137 -6.736 7.369 -4.561 1.00 0.00 C ATOM 198 CD LYS A 137 -6.625 8.301 -5.756 1.00 0.00 C ATOM 199 CE LYS A 137 -7.245 7.687 -7.000 1.00 0.00 C ATOM 200 NZ LYS A 137 -7.285 8.650 -8.134 1.00 0.00 N ATOM 0 H LYS A 137 -3.512 6.732 -2.458 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.182 7.123 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.443 8.538 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.631 7.256 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.820 6.339 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.647 7.593 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.120 9.245 -5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.576 8.528 -5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -6.675 6.805 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -8.257 7.351 -6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -7.715 8.192 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.851 9.480 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -6.317 8.951 -8.368 1.00 0.00 H new ATOM 214 N TRP A 138 -5.520 4.351 -3.274 1.00 0.00 N ATOM 215 CA TRP A 138 -6.041 3.038 -3.622 1.00 0.00 C ATOM 216 C TRP A 138 -6.532 2.322 -2.370 1.00 0.00 C ATOM 217 O TRP A 138 -7.652 1.808 -2.330 1.00 0.00 O ATOM 218 CB TRP A 138 -4.956 2.219 -4.328 1.00 0.00 C ATOM 219 CG TRP A 138 -5.287 0.765 -4.470 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.663 -0.275 -3.850 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.313 0.194 -5.286 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.239 -1.464 -4.230 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.256 -1.201 -5.111 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.276 0.727 -6.147 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.125 -2.070 -5.767 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.137 -0.135 -6.797 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.058 -1.521 -6.604 1.00 0.00 C ATOM 0 H TRP A 138 -4.533 4.485 -3.495 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.885 3.154 -4.302 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.784 2.640 -5.318 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.023 2.316 -3.773 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.837 -0.180 -3.161 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.956 -2.390 -3.909 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.346 1.794 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.065 -3.138 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.884 0.266 -7.466 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.747 -2.168 -7.126 1.00 0.00 H new ATOM 238 N ALA A 139 -5.692 2.309 -1.344 1.00 0.00 N ATOM 239 CA ALA A 139 -6.040 1.678 -0.083 1.00 0.00 C ATOM 240 C ALA A 139 -7.257 2.360 0.527 1.00 0.00 C ATOM 241 O ALA A 139 -8.217 1.702 0.922 1.00 0.00 O ATOM 242 CB ALA A 139 -4.860 1.730 0.876 1.00 0.00 C ATOM 0 H ALA A 139 -4.763 2.730 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.286 0.633 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.135 1.254 1.817 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.011 1.205 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.587 2.769 1.061 1.00 0.00 H new ATOM 248 N ARG A 140 -7.213 3.687 0.589 1.00 0.00 N ATOM 249 CA ARG A 140 -8.317 4.464 1.141 1.00 0.00 C ATOM 250 C ARG A 140 -9.616 4.160 0.403 1.00 0.00 C ATOM 251 O ARG A 140 -10.700 4.230 0.981 1.00 0.00 O ATOM 252 CB ARG A 140 -8.007 5.960 1.056 1.00 0.00 C ATOM 253 CG ARG A 140 -6.903 6.407 2.000 1.00 0.00 C ATOM 254 CD ARG A 140 -7.462 6.840 3.345 1.00 0.00 C ATOM 255 NE ARG A 140 -8.528 7.830 3.203 1.00 0.00 N ATOM 256 CZ ARG A 140 -8.324 9.094 2.839 1.00 0.00 C ATOM 257 NH1 ARG A 140 -7.097 9.526 2.580 1.00 0.00 N ATOM 258 NH2 ARG A 140 -9.350 9.927 2.735 1.00 0.00 N ATOM 0 H ARG A 140 -6.425 4.247 0.264 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.440 4.184 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.721 6.206 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.913 6.524 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.194 5.592 2.145 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -6.351 7.233 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.845 5.968 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -6.660 7.256 3.954 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.485 7.535 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -6.305 8.889 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.946 10.496 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.295 9.599 2.934 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.194 10.896 2.456 1.00 0.00 H new ATOM 272 N GLU A 141 -9.500 3.820 -0.877 1.00 0.00 N ATOM 273 CA GLU A 141 -10.667 3.503 -1.691 1.00 0.00 C ATOM 274 C GLU A 141 -11.228 2.133 -1.324 1.00 0.00 C ATOM 275 O GLU A 141 -12.442 1.949 -1.249 1.00 0.00 O ATOM 276 CB GLU A 141 -10.304 3.538 -3.177 1.00 0.00 C ATOM 277 CG GLU A 141 -10.344 4.932 -3.780 1.00 0.00 C ATOM 278 CD GLU A 141 -10.334 4.912 -5.296 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.371 4.550 -5.891 1.00 0.00 O ATOM 280 OE2 GLU A 141 -9.290 5.256 -5.888 1.00 0.00 O ATOM 0 H GLU A 141 -8.610 3.757 -1.372 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.432 4.254 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.305 3.123 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -10.991 2.894 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -11.239 5.448 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.487 5.503 -3.422 1.00 0.00 H new ATOM 287 N LYS A 142 -10.335 1.176 -1.097 1.00 0.00 N ATOM 288 CA LYS A 142 -10.742 -0.179 -0.738 1.00 0.00 C ATOM 289 C LYS A 142 -10.942 -0.326 0.771 1.00 0.00 C ATOM 290 O LYS A 142 -11.357 -1.382 1.248 1.00 0.00 O ATOM 291 CB LYS A 142 -9.702 -1.189 -1.226 1.00 0.00 C ATOM 292 CG LYS A 142 -10.017 -1.771 -2.596 1.00 0.00 C ATOM 293 CD LYS A 142 -9.938 -0.713 -3.685 1.00 0.00 C ATOM 294 CE LYS A 142 -11.108 -0.819 -4.651 1.00 0.00 C ATOM 295 NZ LYS A 142 -10.972 0.124 -5.796 1.00 0.00 N ATOM 0 H LYS A 142 -9.326 1.312 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.697 -0.377 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.726 -0.705 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.629 -2.001 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.318 -2.577 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -11.015 -2.209 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.928 0.278 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.002 -0.822 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.176 -1.840 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -12.037 -0.613 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.344 -0.322 -6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.508 0.993 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -9.969 0.360 -5.934 1.00 0.00 H new ATOM 309 N GLY A 143 -10.642 0.732 1.523 1.00 0.00 N ATOM 310 CA GLY A 143 -10.796 0.683 2.966 1.00 0.00 C ATOM 311 C GLY A 143 -9.497 0.360 3.684 1.00 0.00 C ATOM 312 O GLY A 143 -9.416 0.465 4.909 1.00 0.00 O ATOM 0 H GLY A 143 -10.296 1.620 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.173 1.643 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.544 -0.067 3.222 1.00 0.00 H new ATOM 316 N VAL A 144 -8.480 -0.033 2.923 1.00 0.00 N ATOM 317 CA VAL A 144 -7.182 -0.372 3.491 1.00 0.00 C ATOM 318 C VAL A 144 -6.368 0.879 3.802 1.00 0.00 C ATOM 319 O VAL A 144 -6.437 1.874 3.081 1.00 0.00 O ATOM 320 CB VAL A 144 -6.369 -1.267 2.537 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.102 -1.761 3.221 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.212 -2.436 2.051 1.00 0.00 C ATOM 0 H VAL A 144 -8.531 -0.124 1.908 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.378 -0.914 4.416 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.080 -0.674 1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.539 -2.392 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.490 -0.908 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.368 -2.338 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.620 -3.057 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.534 -3.032 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.087 -2.058 1.521 1.00 0.00 H new ATOM 332 N ASP A 145 -5.592 0.819 4.878 1.00 0.00 N ATOM 333 CA ASP A 145 -4.755 1.941 5.283 1.00 0.00 C ATOM 334 C ASP A 145 -3.280 1.602 5.096 1.00 0.00 C ATOM 335 O ASP A 145 -2.785 0.619 5.641 1.00 0.00 O ATOM 336 CB ASP A 145 -5.027 2.308 6.742 1.00 0.00 C ATOM 337 CG ASP A 145 -4.455 3.661 7.116 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.298 3.942 6.738 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.165 4.441 7.786 1.00 0.00 O ATOM 0 H ASP A 145 -5.525 0.003 5.487 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.999 2.796 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.103 2.310 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.599 1.544 7.391 1.00 0.00 H new ATOM 344 N ILE A 146 -2.576 2.415 4.317 1.00 0.00 N ATOM 345 CA ILE A 146 -1.159 2.185 4.064 1.00 0.00 C ATOM 346 C ILE A 146 -0.384 1.984 5.369 1.00 0.00 C ATOM 347 O ILE A 146 0.666 1.341 5.388 1.00 0.00 O ATOM 348 CB ILE A 146 -0.538 3.350 3.257 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.618 2.840 2.397 1.00 0.00 C ATOM 350 CG2 ILE A 146 -0.071 4.474 4.175 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.169 2.212 1.096 1.00 0.00 C ATOM 0 H ILE A 146 -2.962 3.236 3.851 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.083 1.272 3.473 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.309 3.757 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.291 3.669 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.189 2.107 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.360 5.277 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.920 4.858 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.681 4.091 4.865 1.00 0.00 H new ATOM 0 HD11 ILE A 146 1.040 1.872 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.480 1.362 1.307 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.377 2.948 0.506 1.00 0.00 H new ATOM 363 N ARG A 147 -0.910 2.546 6.454 1.00 0.00 N ATOM 364 CA ARG A 147 -0.274 2.439 7.764 1.00 0.00 C ATOM 365 C ARG A 147 -0.148 0.984 8.218 1.00 0.00 C ATOM 366 O ARG A 147 0.697 0.662 9.053 1.00 0.00 O ATOM 367 CB ARG A 147 -1.066 3.237 8.800 1.00 0.00 C ATOM 368 CG ARG A 147 -0.944 4.743 8.632 1.00 0.00 C ATOM 369 CD ARG A 147 -1.967 5.486 9.478 1.00 0.00 C ATOM 370 NE ARG A 147 -2.914 6.238 8.659 1.00 0.00 N ATOM 371 CZ ARG A 147 -3.666 7.234 9.120 1.00 0.00 C ATOM 372 NH1 ARG A 147 -3.587 7.600 10.395 1.00 0.00 N ATOM 373 NH2 ARG A 147 -4.501 7.866 8.307 1.00 0.00 N ATOM 0 H ARG A 147 -1.778 3.082 6.452 1.00 0.00 H new ATOM 0 HA ARG A 147 0.732 2.850 7.675 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -2.117 2.957 8.736 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.723 2.962 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.060 5.061 8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.080 5.005 7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.511 4.773 10.098 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.451 6.168 10.154 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.004 5.985 7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.947 7.117 11.026 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -4.166 8.364 10.743 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -4.567 7.589 7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -5.077 8.630 8.661 1.00 0.00 H new ATOM 387 N LEU A 148 -0.989 0.107 7.673 1.00 0.00 N ATOM 388 CA LEU A 148 -0.952 -1.307 8.045 1.00 0.00 C ATOM 389 C LEU A 148 -0.433 -2.170 6.900 1.00 0.00 C ATOM 390 O LEU A 148 -0.748 -3.356 6.817 1.00 0.00 O ATOM 391 CB LEU A 148 -2.338 -1.803 8.472 1.00 0.00 C ATOM 392 CG LEU A 148 -3.512 -1.203 7.704 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.679 -1.891 6.357 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.793 -1.314 8.513 1.00 0.00 C ATOM 0 H LEU A 148 -1.698 0.346 6.979 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.268 -1.397 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.368 -2.887 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.471 -1.588 9.532 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.301 -0.148 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.521 -1.449 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.770 -1.764 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.865 -2.954 6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.619 -0.881 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.005 -2.364 8.717 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.676 -0.777 9.455 1.00 0.00 H new ATOM 406 N VAL A 149 0.363 -1.575 6.020 1.00 0.00 N ATOM 407 CA VAL A 149 0.915 -2.305 4.886 1.00 0.00 C ATOM 408 C VAL A 149 2.431 -2.146 4.812 1.00 0.00 C ATOM 409 O VAL A 149 2.938 -1.087 4.441 1.00 0.00 O ATOM 410 CB VAL A 149 0.287 -1.840 3.558 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.760 -2.717 2.409 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.232 -1.848 3.653 1.00 0.00 C ATOM 0 H VAL A 149 0.639 -0.594 6.069 1.00 0.00 H new ATOM 0 HA VAL A 149 0.675 -3.357 5.039 1.00 0.00 H new ATOM 0 HB VAL A 149 0.610 -0.818 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.306 -2.374 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.845 -2.656 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.468 -3.750 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.658 -1.517 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.578 -2.858 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.550 -1.175 4.449 1.00 0.00 H new ATOM 422 N GLN A 150 3.147 -3.208 5.167 1.00 0.00 N ATOM 423 CA GLN A 150 4.605 -3.192 5.140 1.00 0.00 C ATOM 424 C GLN A 150 5.123 -3.306 3.710 1.00 0.00 C ATOM 425 O GLN A 150 5.540 -4.378 3.273 1.00 0.00 O ATOM 426 CB GLN A 150 5.164 -4.334 5.990 1.00 0.00 C ATOM 427 CG GLN A 150 4.725 -5.711 5.519 1.00 0.00 C ATOM 428 CD GLN A 150 3.807 -6.401 6.509 1.00 0.00 C ATOM 429 OE1 GLN A 150 2.608 -6.128 6.557 1.00 0.00 O ATOM 430 NE2 GLN A 150 4.368 -7.302 7.307 1.00 0.00 N ATOM 0 H GLN A 150 2.741 -4.091 5.477 1.00 0.00 H new ATOM 0 HA GLN A 150 4.941 -2.242 5.555 1.00 0.00 H new ATOM 0 HB2 GLN A 150 6.253 -4.285 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.849 -4.195 7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 150 4.215 -5.617 4.560 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.605 -6.332 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 150 5.366 -7.497 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 150 3.801 -7.799 7.994 1.00 0.00 H new ATOM 439 N GLY A 151 5.091 -2.192 2.986 1.00 0.00 N ATOM 440 CA GLY A 151 5.558 -2.183 1.611 1.00 0.00 C ATOM 441 C GLY A 151 6.954 -2.757 1.461 1.00 0.00 C ATOM 442 O GLY A 151 7.826 -2.512 2.296 1.00 0.00 O ATOM 0 H GLY A 151 4.749 -1.294 3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.866 -2.756 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.548 -1.160 1.235 1.00 0.00 H new ATOM 446 N THR A 152 7.165 -3.523 0.397 1.00 0.00 N ATOM 447 CA THR A 152 8.466 -4.135 0.142 1.00 0.00 C ATOM 448 C THR A 152 9.060 -3.637 -1.173 1.00 0.00 C ATOM 449 O THR A 152 9.858 -4.329 -1.805 1.00 0.00 O ATOM 450 CB THR A 152 8.335 -5.659 0.108 1.00 0.00 C ATOM 451 OG1 THR A 152 7.249 -6.052 -0.712 1.00 0.00 O ATOM 452 CG2 THR A 152 8.123 -6.271 1.476 1.00 0.00 C ATOM 0 H THR A 152 6.454 -3.736 -0.303 1.00 0.00 H new ATOM 0 HA THR A 152 9.137 -3.849 0.952 1.00 0.00 H new ATOM 0 HB THR A 152 9.282 -6.021 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.183 -7.030 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 152 8.038 -7.354 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.970 -6.028 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 152 7.208 -5.872 1.915 1.00 0.00 H new ATOM 460 N GLY A 153 8.663 -2.435 -1.584 1.00 0.00 N ATOM 461 CA GLY A 153 9.167 -1.875 -2.823 1.00 0.00 C ATOM 462 C GLY A 153 10.435 -1.063 -2.629 1.00 0.00 C ATOM 463 O GLY A 153 10.487 -0.176 -1.778 1.00 0.00 O ATOM 0 H GLY A 153 8.003 -1.842 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.363 -2.683 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.400 -1.242 -3.269 1.00 0.00 H new ATOM 467 N LYS A 154 11.455 -1.366 -3.425 1.00 0.00 N ATOM 468 CA LYS A 154 12.731 -0.660 -3.348 1.00 0.00 C ATOM 469 C LYS A 154 13.296 -0.675 -1.926 1.00 0.00 C ATOM 470 O LYS A 154 14.082 -1.555 -1.574 1.00 0.00 O ATOM 471 CB LYS A 154 12.569 0.781 -3.840 1.00 0.00 C ATOM 472 CG LYS A 154 12.724 0.931 -5.345 1.00 0.00 C ATOM 473 CD LYS A 154 14.125 1.387 -5.718 1.00 0.00 C ATOM 474 CE LYS A 154 14.194 2.897 -5.889 1.00 0.00 C ATOM 475 NZ LYS A 154 15.203 3.295 -6.908 1.00 0.00 N ATOM 0 H LYS A 154 11.423 -2.099 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 154 13.440 -1.180 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 154 11.586 1.148 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.306 1.411 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 154 12.509 -0.021 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 154 11.995 1.651 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 154 14.828 1.075 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 154 14.432 0.901 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 154 13.214 3.274 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.441 3.360 -4.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.219 4.331 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 16.143 2.957 -6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 14.954 2.875 -7.826 1.00 0.00 H new ATOM 489 N ASN A 155 12.897 0.303 -1.113 1.00 0.00 N ATOM 490 CA ASN A 155 13.373 0.391 0.264 1.00 0.00 C ATOM 491 C ASN A 155 12.267 0.047 1.258 1.00 0.00 C ATOM 492 O ASN A 155 12.367 0.366 2.443 1.00 0.00 O ATOM 493 CB ASN A 155 13.908 1.796 0.548 1.00 0.00 C ATOM 494 CG ASN A 155 14.899 2.261 -0.501 1.00 0.00 C ATOM 495 OD1 ASN A 155 16.081 1.919 -0.450 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.421 3.045 -1.460 1.00 0.00 N ATOM 0 H ASN A 155 12.248 1.042 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 155 14.177 -0.335 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.074 2.497 0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.387 1.808 1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 155 15.041 3.389 -2.194 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.434 3.303 -1.463 1.00 0.00 H new ATOM 503 N GLY A 156 11.216 -0.611 0.775 1.00 0.00 N ATOM 504 CA GLY A 156 10.117 -0.987 1.645 1.00 0.00 C ATOM 505 C GLY A 156 8.881 -0.132 1.442 1.00 0.00 C ATOM 506 O GLY A 156 8.037 -0.032 2.332 1.00 0.00 O ATOM 0 H GLY A 156 11.107 -0.889 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.862 -2.032 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.440 -0.909 2.683 1.00 0.00 H new ATOM 510 N ARG A 157 8.766 0.485 0.269 1.00 0.00 N ATOM 511 CA ARG A 157 7.615 1.328 -0.035 1.00 0.00 C ATOM 512 C ARG A 157 6.451 0.484 -0.548 1.00 0.00 C ATOM 513 O ARG A 157 6.631 -0.386 -1.399 1.00 0.00 O ATOM 514 CB ARG A 157 7.991 2.402 -1.064 1.00 0.00 C ATOM 515 CG ARG A 157 8.152 1.874 -2.482 1.00 0.00 C ATOM 516 CD ARG A 157 8.305 3.008 -3.483 1.00 0.00 C ATOM 517 NE ARG A 157 9.708 3.309 -3.760 1.00 0.00 N ATOM 518 CZ ARG A 157 10.110 4.280 -4.578 1.00 0.00 C ATOM 519 NH1 ARG A 157 9.221 5.045 -5.199 1.00 0.00 N ATOM 520 NH2 ARG A 157 11.405 4.487 -4.774 1.00 0.00 N ATOM 0 H ARG A 157 9.452 0.417 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 157 7.302 1.824 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 157 7.224 3.177 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.923 2.875 -0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 157 9.024 1.222 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.286 1.268 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.801 2.742 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.812 3.901 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 157 10.421 2.742 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.224 4.891 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.535 5.787 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 157 12.093 3.903 -4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.714 5.231 -5.400 1.00 0.00 H new ATOM 534 N VAL A 158 5.259 0.745 -0.020 1.00 0.00 N ATOM 535 CA VAL A 158 4.069 0.006 -0.420 1.00 0.00 C ATOM 536 C VAL A 158 3.658 0.350 -1.848 1.00 0.00 C ATOM 537 O VAL A 158 3.493 1.520 -2.192 1.00 0.00 O ATOM 538 CB VAL A 158 2.887 0.288 0.527 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.701 -0.598 0.183 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.304 0.089 1.976 1.00 0.00 C ATOM 0 H VAL A 158 5.093 1.463 0.686 1.00 0.00 H new ATOM 0 HA VAL A 158 4.323 -1.053 -0.366 1.00 0.00 H new ATOM 0 HB VAL A 158 2.585 1.327 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.877 -0.383 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.386 -0.402 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.989 -1.645 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.456 0.293 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.635 -0.939 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.120 0.771 2.217 1.00 0.00 H new ATOM 550 N LEU A 159 3.491 -0.679 -2.673 1.00 0.00 N ATOM 551 CA LEU A 159 3.096 -0.488 -4.064 1.00 0.00 C ATOM 552 C LEU A 159 1.731 -1.113 -4.329 1.00 0.00 C ATOM 553 O LEU A 159 1.177 -1.804 -3.472 1.00 0.00 O ATOM 554 CB LEU A 159 4.137 -1.102 -5.004 1.00 0.00 C ATOM 555 CG LEU A 159 5.588 -0.996 -4.531 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.456 -2.027 -5.236 1.00 0.00 C ATOM 557 CD2 LEU A 159 6.124 0.408 -4.770 1.00 0.00 C ATOM 0 H LEU A 159 3.623 -1.653 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 159 3.033 0.584 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.895 -2.155 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 159 4.053 -0.619 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 159 5.617 -1.198 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.485 -1.937 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.084 -3.028 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.422 -1.857 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 159 7.157 0.466 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 159 6.081 0.638 -5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.518 1.127 -4.219 1.00 0.00 H new ATOM 569 N LYS A 160 1.193 -0.872 -5.522 1.00 0.00 N ATOM 570 CA LYS A 160 -0.108 -1.418 -5.897 1.00 0.00 C ATOM 571 C LYS A 160 -0.136 -2.930 -5.696 1.00 0.00 C ATOM 572 O LYS A 160 -1.181 -3.508 -5.395 1.00 0.00 O ATOM 573 CB LYS A 160 -0.428 -1.078 -7.355 1.00 0.00 C ATOM 574 CG LYS A 160 -1.768 -1.625 -7.827 1.00 0.00 C ATOM 575 CD LYS A 160 -2.544 -0.591 -8.627 1.00 0.00 C ATOM 576 CE LYS A 160 -2.425 -0.837 -10.122 1.00 0.00 C ATOM 577 NZ LYS A 160 -2.473 0.431 -10.901 1.00 0.00 N ATOM 0 H LYS A 160 1.637 -0.304 -6.244 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.865 -0.968 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.424 0.005 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.362 -1.473 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.604 -2.512 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.358 -1.937 -6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.594 -0.618 -8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.173 0.406 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.489 -1.356 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -3.233 -1.493 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -2.389 0.219 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -3.376 0.914 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -1.687 1.047 -10.610 1.00 0.00 H new ATOM 591 N GLU A 161 1.022 -3.563 -5.859 1.00 0.00 N ATOM 592 CA GLU A 161 1.134 -5.006 -5.687 1.00 0.00 C ATOM 593 C GLU A 161 1.031 -5.378 -4.213 1.00 0.00 C ATOM 594 O GLU A 161 0.459 -6.411 -3.860 1.00 0.00 O ATOM 595 CB GLU A 161 2.460 -5.508 -6.262 1.00 0.00 C ATOM 596 CG GLU A 161 2.644 -7.011 -6.141 1.00 0.00 C ATOM 597 CD GLU A 161 3.668 -7.553 -7.120 1.00 0.00 C ATOM 598 OE1 GLU A 161 4.650 -6.837 -7.408 1.00 0.00 O ATOM 599 OE2 GLU A 161 3.487 -8.693 -7.596 1.00 0.00 O ATOM 0 H GLU A 161 1.895 -3.099 -6.110 1.00 0.00 H new ATOM 0 HA GLU A 161 0.313 -5.481 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.521 -5.226 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.282 -5.007 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.953 -7.255 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.687 -7.505 -6.310 1.00 0.00 H new ATOM 606 N ASP A 162 1.583 -4.526 -3.353 1.00 0.00 N ATOM 607 CA ASP A 162 1.548 -4.764 -1.918 1.00 0.00 C ATOM 608 C ASP A 162 0.118 -4.696 -1.402 1.00 0.00 C ATOM 609 O ASP A 162 -0.331 -5.579 -0.670 1.00 0.00 O ATOM 610 CB ASP A 162 2.419 -3.741 -1.186 1.00 0.00 C ATOM 611 CG ASP A 162 3.901 -4.018 -1.355 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.264 -5.190 -1.584 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.698 -3.061 -1.260 1.00 0.00 O ATOM 0 H ASP A 162 2.059 -3.666 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 162 1.942 -5.762 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.194 -2.742 -1.560 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.169 -3.748 -0.125 1.00 0.00 H new ATOM 618 N ILE A 163 -0.602 -3.652 -1.798 1.00 0.00 N ATOM 619 CA ILE A 163 -1.987 -3.486 -1.382 1.00 0.00 C ATOM 620 C ILE A 163 -2.831 -4.650 -1.885 1.00 0.00 C ATOM 621 O ILE A 163 -3.538 -5.300 -1.112 1.00 0.00 O ATOM 622 CB ILE A 163 -2.585 -2.163 -1.902 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.691 -0.985 -1.514 1.00 0.00 C ATOM 624 CG2 ILE A 163 -3.992 -1.966 -1.357 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.559 -0.794 -0.020 1.00 0.00 C ATOM 0 H ILE A 163 -0.250 -2.911 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 163 -1.998 -3.463 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.640 -2.211 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.700 -1.135 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.094 -0.073 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.400 -1.028 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.626 -2.792 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.960 -1.937 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.911 0.059 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.543 -0.612 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.128 -1.691 0.425 1.00 0.00 H new ATOM 637 N ASP A 164 -2.739 -4.920 -3.185 1.00 0.00 N ATOM 638 CA ASP A 164 -3.481 -6.018 -3.792 1.00 0.00 C ATOM 639 C ASP A 164 -3.166 -7.329 -3.082 1.00 0.00 C ATOM 640 O ASP A 164 -4.024 -8.203 -2.953 1.00 0.00 O ATOM 641 CB ASP A 164 -3.143 -6.133 -5.280 1.00 0.00 C ATOM 642 CG ASP A 164 -4.214 -6.869 -6.060 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.385 -6.850 -5.626 1.00 0.00 O ATOM 644 OD2 ASP A 164 -3.882 -7.466 -7.106 1.00 0.00 O ATOM 0 H ASP A 164 -2.158 -4.393 -3.837 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.546 -5.811 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -3.013 -5.135 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.192 -6.653 -5.395 1.00 0.00 H new ATOM 649 N ALA A 165 -1.929 -7.451 -2.607 1.00 0.00 N ATOM 650 CA ALA A 165 -1.499 -8.644 -1.894 1.00 0.00 C ATOM 651 C ALA A 165 -2.032 -8.626 -0.468 1.00 0.00 C ATOM 652 O ALA A 165 -2.337 -9.671 0.108 1.00 0.00 O ATOM 653 CB ALA A 165 0.019 -8.747 -1.898 1.00 0.00 C ATOM 0 H ALA A 165 -1.208 -6.736 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.902 -9.520 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.324 -9.645 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.377 -8.800 -2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.444 -7.870 -1.410 1.00 0.00 H new ATOM 659 N PHE A 166 -2.147 -7.426 0.091 1.00 0.00 N ATOM 660 CA PHE A 166 -2.652 -7.256 1.446 1.00 0.00 C ATOM 661 C PHE A 166 -4.081 -7.777 1.551 1.00 0.00 C ATOM 662 O PHE A 166 -4.439 -8.454 2.515 1.00 0.00 O ATOM 663 CB PHE A 166 -2.601 -5.779 1.842 1.00 0.00 C ATOM 664 CG PHE A 166 -3.187 -5.494 3.193 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.560 -5.409 3.362 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.366 -5.311 4.292 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.103 -5.147 4.606 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.903 -5.048 5.538 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.273 -4.966 5.696 1.00 0.00 C ATOM 0 H PHE A 166 -1.896 -6.555 -0.376 1.00 0.00 H new ATOM 0 HA PHE A 166 -2.023 -7.829 2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.564 -5.444 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.135 -5.193 1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.213 -5.549 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.294 -5.374 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.174 -5.084 4.726 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.252 -4.907 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.694 -4.761 6.669 1.00 0.00 H new ATOM 679 N LEU A 167 -4.893 -7.457 0.548 1.00 0.00 N ATOM 680 CA LEU A 167 -6.283 -7.887 0.519 1.00 0.00 C ATOM 681 C LEU A 167 -6.389 -9.351 0.109 1.00 0.00 C ATOM 682 O LEU A 167 -7.165 -10.115 0.685 1.00 0.00 O ATOM 683 CB LEU A 167 -7.078 -7.015 -0.452 1.00 0.00 C ATOM 684 CG LEU A 167 -7.315 -5.575 0.006 1.00 0.00 C ATOM 685 CD1 LEU A 167 -7.856 -5.542 1.428 1.00 0.00 C ATOM 686 CD2 LEU A 167 -6.031 -4.764 -0.103 1.00 0.00 C ATOM 0 H LEU A 167 -4.609 -6.899 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.697 -7.780 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.554 -6.993 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.045 -7.486 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 167 -8.062 -5.125 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -8.017 -4.508 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -8.801 -6.084 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.138 -6.011 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -6.217 -3.742 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -5.262 -5.214 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -5.693 -4.755 -1.139 1.00 0.00 H new ATOM 698 N ALA A 168 -5.603 -9.733 -0.890 1.00 0.00 N ATOM 699 CA ALA A 168 -5.605 -11.106 -1.382 1.00 0.00 C ATOM 700 C ALA A 168 -5.013 -12.062 -0.352 1.00 0.00 C ATOM 701 O ALA A 168 -5.321 -13.254 -0.350 1.00 0.00 O ATOM 702 CB ALA A 168 -4.837 -11.195 -2.692 1.00 0.00 C ATOM 0 H ALA A 168 -4.956 -9.112 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.639 -11.402 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.845 -12.225 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.307 -10.549 -3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.807 -10.875 -2.533 1.00 0.00 H new