USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 184 HIS : no HD1:sc= 0.851 K(o=2,f=-2.4) USER MOD Set 1.2: A 187 SER OG : rot -25:sc= 0.448 USER MOD Set 1.3: A 188 THR OG1 : rot 137:sc= 0.941 USER MOD Set 1.4: A 189 MET CE :methyl 140:sc= -0.198 (180deg=-0.924) USER MOD Set 2.1: A 177 THR OG1 : rot -169:sc= 0.188 USER MOD Set 2.2: A 179 ASN : amide:sc= -0.735 K(o=-0.55,f=-1.4) USER MOD Set 3.1: A 159 HIS : no HE2:sc= -0.309 K(o=-0.19,f=-3.2) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.116 X(o=-0.19,f=0.25) USER MOD Single : A 148 THR OG1 : rot -71:sc= 1.01 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.5 K(o=0.5,f=-0.092) USER MOD Single : A 160 LYS NZ :NH3+ 161:sc= -0.0326 (180deg=-0.359) USER MOD Single : A 171 LYS NZ :NH3+ -156:sc= 0.834 (180deg=-0.282) USER MOD Single : A 182 LYS NZ :NH3+ -151:sc= 0.083 (180deg=-1.59!) USER MOD Single : A 183 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 186 ASN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.400 -9.011 -12.159 1.00 0.00 N ATOM 89 CA TRP A 147 14.507 -9.022 -13.118 1.00 0.00 C ATOM 90 C TRP A 147 13.997 -9.269 -14.540 1.00 0.00 C ATOM 91 O TRP A 147 12.853 -9.677 -14.741 1.00 0.00 O ATOM 92 CB TRP A 147 15.565 -10.054 -12.705 1.00 0.00 C ATOM 93 CG TRP A 147 16.407 -9.619 -11.552 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.324 -10.080 -10.293 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.463 -8.618 -11.529 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.243 -9.456 -9.481 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.983 -8.535 -10.200 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.039 -7.765 -12.496 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.017 -7.662 -9.856 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.079 -6.880 -12.152 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.568 -6.831 -10.838 1.00 0.00 C ATOM 0 HA TRP A 147 14.981 -8.041 -13.112 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.067 -10.989 -12.448 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.211 -10.261 -13.558 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.630 -10.838 -9.963 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.362 -9.646 -8.486 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.677 -7.792 -13.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.388 -7.628 -8.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.504 -6.234 -12.906 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.369 -6.152 -10.584 1.00 0.00 H new ATOM 112 N THR A 148 14.858 -8.999 -15.530 1.00 0.00 N ATOM 113 CA THR A 148 14.509 -9.158 -16.933 1.00 0.00 C ATOM 114 C THR A 148 15.701 -9.724 -17.698 1.00 0.00 C ATOM 115 O THR A 148 16.846 -9.565 -17.276 1.00 0.00 O ATOM 116 CB THR A 148 14.104 -7.797 -17.518 1.00 0.00 C ATOM 117 OG1 THR A 148 15.177 -6.886 -17.388 1.00 0.00 O ATOM 118 CG2 THR A 148 12.877 -7.246 -16.784 1.00 0.00 C ATOM 0 H THR A 148 15.810 -8.666 -15.374 1.00 0.00 H new ATOM 0 HA THR A 148 13.671 -9.849 -17.024 1.00 0.00 H new ATOM 0 HB THR A 148 13.858 -7.927 -18.572 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.286 -6.641 -16.445 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.602 -6.281 -17.209 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.045 -7.942 -16.893 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.111 -7.123 -15.726 1.00 0.00 H new ATOM 126 N GLU A 149 15.424 -10.377 -18.833 1.00 0.00 N ATOM 127 CA GLU A 149 16.465 -10.952 -19.674 1.00 0.00 C ATOM 128 C GLU A 149 17.463 -9.861 -20.071 1.00 0.00 C ATOM 129 O GLU A 149 18.665 -10.100 -20.110 1.00 0.00 O ATOM 130 CB GLU A 149 15.812 -11.588 -20.915 1.00 0.00 C ATOM 131 CG GLU A 149 16.480 -12.930 -21.245 1.00 0.00 C ATOM 132 CD GLU A 149 17.828 -12.727 -21.925 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.811 -12.466 -23.148 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.848 -12.836 -21.216 1.00 0.00 O ATOM 0 H GLU A 149 14.478 -10.518 -19.187 1.00 0.00 H new ATOM 0 HA GLU A 149 17.007 -11.726 -19.130 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.747 -11.739 -20.736 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.899 -10.912 -21.766 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.616 -13.506 -20.329 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.827 -13.513 -21.894 1.00 0.00 H new ATOM 141 N GLU A 150 16.956 -8.655 -20.361 1.00 0.00 N ATOM 142 CA GLU A 150 17.800 -7.536 -20.746 1.00 0.00 C ATOM 143 C GLU A 150 18.847 -7.271 -19.659 1.00 0.00 C ATOM 144 O GLU A 150 20.030 -7.130 -19.959 1.00 0.00 O ATOM 145 CB GLU A 150 16.924 -6.298 -20.979 1.00 0.00 C ATOM 146 CG GLU A 150 17.720 -5.225 -21.733 1.00 0.00 C ATOM 147 CD GLU A 150 18.023 -5.670 -23.160 1.00 0.00 C ATOM 148 OE1 GLU A 150 17.082 -5.623 -23.981 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.189 -6.056 -23.404 1.00 0.00 O ATOM 0 H GLU A 150 15.960 -8.438 -20.333 1.00 0.00 H new ATOM 0 HA GLU A 150 18.327 -7.772 -21.671 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.037 -6.572 -21.550 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.579 -5.902 -20.024 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.154 -4.293 -21.751 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.652 -5.022 -21.206 1.00 0.00 H new ATOM 156 N GLU A 151 18.409 -7.207 -18.396 1.00 0.00 N ATOM 157 CA GLU A 151 19.309 -6.962 -17.278 1.00 0.00 C ATOM 158 C GLU A 151 20.286 -8.127 -17.121 1.00 0.00 C ATOM 159 O GLU A 151 21.474 -7.909 -16.886 1.00 0.00 O ATOM 160 CB GLU A 151 18.496 -6.780 -15.996 1.00 0.00 C ATOM 161 CG GLU A 151 17.769 -5.433 -16.017 1.00 0.00 C ATOM 162 CD GLU A 151 16.859 -5.298 -14.804 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.794 -5.956 -14.812 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.240 -4.544 -13.883 1.00 0.00 O ATOM 0 H GLU A 151 17.431 -7.323 -18.129 1.00 0.00 H new ATOM 0 HA GLU A 151 19.880 -6.054 -17.472 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.773 -7.590 -15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.154 -6.833 -15.129 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.496 -4.621 -16.025 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.182 -5.344 -16.931 1.00 0.00 H new ATOM 171 N ASP A 152 19.785 -9.363 -17.246 1.00 0.00 N ATOM 172 CA ASP A 152 20.612 -10.555 -17.096 1.00 0.00 C ATOM 173 C ASP A 152 21.826 -10.482 -18.025 1.00 0.00 C ATOM 174 O ASP A 152 22.924 -10.866 -17.630 1.00 0.00 O ATOM 175 CB ASP A 152 19.778 -11.809 -17.387 1.00 0.00 C ATOM 176 CG ASP A 152 18.621 -11.956 -16.399 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.675 -11.281 -15.347 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.704 -12.745 -16.715 1.00 0.00 O ATOM 0 H ASP A 152 18.805 -9.558 -17.452 1.00 0.00 H new ATOM 0 HA ASP A 152 20.974 -10.609 -16.069 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.386 -11.758 -18.403 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.416 -12.691 -17.335 1.00 0.00 H new ATOM 183 N ARG A 153 21.633 -9.983 -19.255 1.00 0.00 N ATOM 184 CA ARG A 153 22.728 -9.847 -20.212 1.00 0.00 C ATOM 185 C ARG A 153 23.830 -8.969 -19.619 1.00 0.00 C ATOM 186 O ARG A 153 25.009 -9.300 -19.722 1.00 0.00 O ATOM 187 CB ARG A 153 22.211 -9.226 -21.514 1.00 0.00 C ATOM 188 CG ARG A 153 21.227 -10.175 -22.203 1.00 0.00 C ATOM 189 CD ARG A 153 20.398 -9.393 -23.225 1.00 0.00 C ATOM 190 NE ARG A 153 19.182 -10.131 -23.586 1.00 0.00 N ATOM 191 CZ ARG A 153 18.160 -9.584 -24.266 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.184 -8.289 -24.605 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.112 -10.341 -24.601 1.00 0.00 N ATOM 0 H ARG A 153 20.728 -9.669 -19.605 1.00 0.00 H new ATOM 0 HA ARG A 153 23.136 -10.835 -20.428 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.722 -8.275 -21.302 1.00 0.00 H new ATOM 0 HB3 ARG A 153 23.047 -9.012 -22.180 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.768 -10.981 -22.698 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.572 -10.637 -21.464 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.129 -8.420 -22.814 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.995 -9.208 -24.118 1.00 0.00 H new ATOM 0 HE ARG A 153 19.109 -11.109 -23.306 1.00 0.00 H new ATOM 0 HH11 ARG A 153 18.982 -7.709 -24.347 1.00 0.00 H new ATOM 0 HH12 ARG A 153 17.404 -7.882 -25.121 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.091 -11.327 -24.341 1.00 0.00 H new ATOM 0 HH22 ARG A 153 16.332 -9.933 -25.117 1.00 0.00 H new ATOM 207 N ILE A 154 23.441 -7.845 -19.000 1.00 0.00 N ATOM 208 CA ILE A 154 24.395 -6.917 -18.406 1.00 0.00 C ATOM 209 C ILE A 154 25.142 -7.601 -17.264 1.00 0.00 C ATOM 210 O ILE A 154 26.370 -7.544 -17.207 1.00 0.00 O ATOM 211 CB ILE A 154 23.662 -5.661 -17.894 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.818 -5.019 -19.016 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.685 -4.647 -17.365 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.660 -4.773 -20.274 1.00 0.00 C ATOM 0 H ILE A 154 22.466 -7.562 -18.901 1.00 0.00 H new ATOM 0 HA ILE A 154 25.117 -6.613 -19.164 1.00 0.00 H new ATOM 0 HB ILE A 154 22.990 -5.957 -17.088 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.978 -5.669 -19.259 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.400 -4.075 -18.665 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.165 -3.760 -17.004 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.251 -5.094 -16.548 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.367 -4.366 -18.167 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.037 -4.320 -21.046 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.485 -4.103 -20.034 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.057 -5.721 -20.638 1.00 0.00 H new ATOM 226 N ILE A 155 24.402 -8.246 -16.353 1.00 0.00 N ATOM 227 CA ILE A 155 25.004 -8.924 -15.211 1.00 0.00 C ATOM 228 C ILE A 155 25.997 -9.976 -15.701 1.00 0.00 C ATOM 229 O ILE A 155 27.089 -10.083 -15.165 1.00 0.00 O ATOM 230 CB ILE A 155 23.910 -9.574 -14.343 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.959 -8.495 -13.805 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.561 -10.312 -13.161 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.726 -9.151 -13.179 1.00 0.00 C ATOM 0 H ILE A 155 23.385 -8.309 -16.390 1.00 0.00 H new ATOM 0 HA ILE A 155 25.538 -8.195 -14.601 1.00 0.00 H new ATOM 0 HB ILE A 155 23.346 -10.281 -14.952 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.472 -7.883 -13.063 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.656 -7.829 -14.613 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.786 -10.771 -12.548 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.230 -11.085 -13.539 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.129 -9.603 -12.558 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.056 -8.379 -12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.207 -9.743 -13.932 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.035 -9.798 -12.358 1.00 0.00 H new ATOM 245 N TYR A 156 25.609 -10.754 -16.715 1.00 0.00 N ATOM 246 CA TYR A 156 26.453 -11.812 -17.250 1.00 0.00 C ATOM 247 C TYR A 156 27.714 -11.231 -17.891 1.00 0.00 C ATOM 248 O TYR A 156 28.821 -11.644 -17.559 1.00 0.00 O ATOM 249 CB TYR A 156 25.649 -12.628 -18.266 1.00 0.00 C ATOM 250 CG TYR A 156 26.294 -13.952 -18.613 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.003 -15.095 -17.846 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.183 -14.044 -19.699 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.599 -16.326 -18.164 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.778 -15.276 -20.018 1.00 0.00 C ATOM 255 CZ TYR A 156 27.486 -16.418 -19.250 1.00 0.00 C ATOM 256 OH TYR A 156 28.063 -17.614 -19.558 1.00 0.00 O ATOM 0 H TYR A 156 24.706 -10.665 -17.182 1.00 0.00 H new ATOM 0 HA TYR A 156 26.772 -12.464 -16.437 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.651 -12.811 -17.867 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.526 -12.042 -19.177 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.321 -15.026 -17.012 1.00 0.00 H new ATOM 0 HD2 TYR A 156 27.408 -13.167 -20.288 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.376 -17.202 -17.574 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.460 -15.346 -20.853 1.00 0.00 H new ATOM 0 HH TYR A 156 28.648 -17.504 -20.336 1.00 0.00 H new ATOM 266 N GLN A 157 27.545 -10.279 -18.813 1.00 0.00 N ATOM 267 CA GLN A 157 28.665 -9.669 -19.518 1.00 0.00 C ATOM 268 C GLN A 157 29.639 -9.023 -18.528 1.00 0.00 C ATOM 269 O GLN A 157 30.857 -9.125 -18.698 1.00 0.00 O ATOM 270 CB GLN A 157 28.117 -8.634 -20.513 1.00 0.00 C ATOM 271 CG GLN A 157 29.261 -7.945 -21.270 1.00 0.00 C ATOM 272 CD GLN A 157 30.077 -8.944 -22.087 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.725 -9.257 -23.219 1.00 0.00 O ATOM 274 NE2 GLN A 157 31.171 -9.443 -21.511 1.00 0.00 N ATOM 0 H GLN A 157 26.633 -9.915 -19.087 1.00 0.00 H new ATOM 0 HA GLN A 157 29.218 -10.434 -20.063 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.449 -9.123 -21.222 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.527 -7.888 -19.981 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.852 -7.181 -21.931 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.913 -7.436 -20.560 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.427 -9.155 -20.567 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.752 -10.113 -22.015 1.00 0.00 H new ATOM 283 N ALA A 158 29.109 -8.356 -17.502 1.00 0.00 N ATOM 284 CA ALA A 158 29.936 -7.698 -16.507 1.00 0.00 C ATOM 285 C ALA A 158 30.612 -8.737 -15.612 1.00 0.00 C ATOM 286 O ALA A 158 31.816 -8.678 -15.405 1.00 0.00 O ATOM 287 CB ALA A 158 29.072 -6.747 -15.681 1.00 0.00 C ATOM 0 H ALA A 158 28.106 -8.261 -17.344 1.00 0.00 H new ATOM 0 HA ALA A 158 30.717 -7.123 -17.004 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.690 -6.251 -14.933 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.625 -5.999 -16.336 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.283 -7.311 -15.184 1.00 0.00 H new ATOM 293 N HIS A 159 29.830 -9.684 -15.085 1.00 0.00 N ATOM 294 CA HIS A 159 30.338 -10.719 -14.191 1.00 0.00 C ATOM 295 C HIS A 159 31.416 -11.559 -14.878 1.00 0.00 C ATOM 296 O HIS A 159 32.365 -11.989 -14.233 1.00 0.00 O ATOM 297 CB HIS A 159 29.173 -11.609 -13.742 1.00 0.00 C ATOM 298 CG HIS A 159 29.607 -12.715 -12.818 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.152 -13.907 -13.277 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.590 -12.838 -11.454 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.425 -14.653 -12.189 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.105 -14.057 -11.042 1.00 0.00 N ATOM 0 H HIS A 159 28.829 -9.751 -15.268 1.00 0.00 H new ATOM 0 HA HIS A 159 30.794 -10.244 -13.322 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.425 -10.995 -13.240 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.693 -12.042 -14.620 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.314 -14.167 -14.250 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.220 -12.078 -10.782 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.861 -15.639 -12.242 1.00 0.00 H new ATOM 310 N LYS A 160 31.269 -11.803 -16.179 1.00 0.00 N ATOM 311 CA LYS A 160 32.223 -12.614 -16.920 1.00 0.00 C ATOM 312 C LYS A 160 33.606 -11.950 -16.949 1.00 0.00 C ATOM 313 O LYS A 160 34.608 -12.635 -17.140 1.00 0.00 O ATOM 314 CB LYS A 160 31.694 -12.831 -18.343 1.00 0.00 C ATOM 315 CG LYS A 160 32.569 -13.855 -19.077 1.00 0.00 C ATOM 316 CD LYS A 160 31.865 -14.330 -20.357 1.00 0.00 C ATOM 317 CE LYS A 160 31.817 -13.205 -21.402 1.00 0.00 C ATOM 318 NZ LYS A 160 33.171 -12.830 -21.852 1.00 0.00 N ATOM 0 H LYS A 160 30.495 -11.448 -16.740 1.00 0.00 H new ATOM 0 HA LYS A 160 32.336 -13.578 -16.423 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.662 -13.181 -18.307 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.691 -11.886 -18.887 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.532 -13.410 -19.326 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.770 -14.706 -18.426 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.390 -15.192 -20.768 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.852 -14.657 -20.121 1.00 0.00 H new ATOM 0 HE2 LYS A 160 31.224 -13.527 -22.258 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.319 -12.333 -20.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.108 -12.322 -22.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.615 -12.215 -21.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.746 -13.688 -21.976 1.00 0.00 H new ATOM 332 N ARG A 161 33.658 -10.622 -16.772 1.00 0.00 N ATOM 333 CA ARG A 161 34.914 -9.880 -16.827 1.00 0.00 C ATOM 334 C ARG A 161 35.388 -9.475 -15.427 1.00 0.00 C ATOM 335 O ARG A 161 36.574 -9.582 -15.122 1.00 0.00 O ATOM 336 CB ARG A 161 34.708 -8.633 -17.693 1.00 0.00 C ATOM 337 CG ARG A 161 34.393 -9.044 -19.136 1.00 0.00 C ATOM 338 CD ARG A 161 34.076 -7.800 -19.968 1.00 0.00 C ATOM 339 NE ARG A 161 32.804 -7.196 -19.545 1.00 0.00 N ATOM 340 CZ ARG A 161 32.430 -5.950 -19.889 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.195 -5.219 -20.712 1.00 0.00 N ATOM 342 NH2 ARG A 161 31.289 -5.439 -19.408 1.00 0.00 N ATOM 0 H ARG A 161 32.838 -10.043 -16.589 1.00 0.00 H new ATOM 0 HA ARG A 161 35.683 -10.519 -17.260 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.893 -8.032 -17.291 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.604 -8.012 -17.670 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.242 -9.575 -19.567 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.546 -9.730 -19.152 1.00 0.00 H new ATOM 0 HD2 ARG A 161 34.881 -7.073 -19.863 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.023 -8.067 -21.023 1.00 0.00 H new ATOM 0 HE ARG A 161 32.175 -7.748 -18.963 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.064 -5.607 -21.080 1.00 0.00 H new ATOM 0 HH12 ARG A 161 32.908 -4.275 -20.971 1.00 0.00 H new ATOM 0 HH21 ARG A 161 30.705 -5.994 -18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.004 -4.495 -19.668 1.00 0.00 H new ATOM 356 N LEU A 162 34.466 -8.992 -14.588 1.00 0.00 N ATOM 357 CA LEU A 162 34.800 -8.486 -13.258 1.00 0.00 C ATOM 358 C LEU A 162 34.686 -9.581 -12.193 1.00 0.00 C ATOM 359 O LEU A 162 35.215 -9.422 -11.095 1.00 0.00 O ATOM 360 CB LEU A 162 33.860 -7.320 -12.915 1.00 0.00 C ATOM 361 CG LEU A 162 33.895 -6.245 -14.017 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.923 -5.121 -13.652 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.308 -5.668 -14.150 1.00 0.00 C ATOM 0 H LEU A 162 33.472 -8.942 -14.813 1.00 0.00 H new ATOM 0 HA LEU A 162 35.835 -8.144 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.842 -7.691 -12.795 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.153 -6.880 -11.962 1.00 0.00 H new ATOM 0 HG LEU A 162 33.606 -6.697 -14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.943 -4.356 -14.428 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.914 -5.526 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.218 -4.679 -12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.319 -4.909 -14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.608 -5.218 -13.204 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.004 -6.466 -14.409 1.00 0.00 H new ATOM 375 N GLY A 163 33.996 -10.680 -12.502 1.00 0.00 N ATOM 376 CA GLY A 163 33.806 -11.763 -11.549 1.00 0.00 C ATOM 377 C GLY A 163 32.661 -11.420 -10.600 1.00 0.00 C ATOM 378 O GLY A 163 31.702 -10.763 -10.998 1.00 0.00 O ATOM 0 H GLY A 163 33.560 -10.839 -13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.587 -12.691 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.723 -11.927 -10.983 1.00 0.00 H new ATOM 382 N ASN A 164 32.762 -11.864 -9.340 1.00 0.00 N ATOM 383 CA ASN A 164 31.720 -11.619 -8.344 1.00 0.00 C ATOM 384 C ASN A 164 31.872 -10.226 -7.723 1.00 0.00 C ATOM 385 O ASN A 164 31.479 -10.017 -6.576 1.00 0.00 O ATOM 386 CB ASN A 164 31.797 -12.694 -7.253 1.00 0.00 C ATOM 387 CG ASN A 164 31.899 -14.091 -7.859 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.998 -14.587 -8.095 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.754 -14.723 -8.111 1.00 0.00 N ATOM 0 H ASN A 164 33.559 -12.396 -8.989 1.00 0.00 H new ATOM 0 HA ASN A 164 30.748 -11.664 -8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.661 -12.507 -6.616 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.914 -12.634 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.767 -15.659 -8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.865 -14.271 -7.898 1.00 0.00 H new ATOM 396 N ARG A 165 32.436 -9.270 -8.472 1.00 0.00 N ATOM 397 CA ARG A 165 32.612 -7.913 -7.980 1.00 0.00 C ATOM 398 C ARG A 165 31.322 -7.131 -8.203 1.00 0.00 C ATOM 399 O ARG A 165 31.279 -6.209 -9.020 1.00 0.00 O ATOM 400 CB ARG A 165 33.793 -7.254 -8.701 1.00 0.00 C ATOM 401 CG ARG A 165 35.105 -7.888 -8.230 1.00 0.00 C ATOM 402 CD ARG A 165 36.287 -7.189 -8.906 1.00 0.00 C ATOM 403 NE ARG A 165 37.568 -7.676 -8.371 1.00 0.00 N ATOM 404 CZ ARG A 165 38.128 -8.847 -8.732 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.527 -9.643 -9.628 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.295 -9.219 -8.191 1.00 0.00 N ATOM 0 H ARG A 165 32.776 -9.420 -9.422 1.00 0.00 H new ATOM 0 HA ARG A 165 32.832 -7.924 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.686 -7.374 -9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.803 -6.183 -8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.192 -7.805 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.113 -8.951 -8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.249 -7.363 -9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.212 -6.112 -8.754 1.00 0.00 H new ATOM 0 HE ARG A 165 38.058 -7.096 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.638 -9.364 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 165 37.959 -10.528 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.756 -8.617 -7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.723 -10.105 -8.461 1.00 0.00 H new ATOM 420 N TRP A 166 30.265 -7.504 -7.468 1.00 0.00 N ATOM 421 CA TRP A 166 28.966 -6.852 -7.589 1.00 0.00 C ATOM 422 C TRP A 166 29.078 -5.368 -7.247 1.00 0.00 C ATOM 423 O TRP A 166 28.201 -4.598 -7.593 1.00 0.00 O ATOM 424 CB TRP A 166 27.942 -7.524 -6.670 1.00 0.00 C ATOM 425 CG TRP A 166 28.141 -8.987 -6.460 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.666 -9.535 -5.362 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.832 -10.108 -7.344 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.721 -10.903 -5.467 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.212 -11.319 -6.682 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.270 -10.236 -8.635 1.00 0.00 C ATOM 431 CZ2 TRP A 166 28.044 -12.577 -7.263 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.098 -11.507 -9.227 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.487 -12.672 -8.542 1.00 0.00 C ATOM 0 H TRP A 166 30.291 -8.258 -6.782 1.00 0.00 H new ATOM 0 HA TRP A 166 28.630 -6.950 -8.621 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.967 -7.027 -5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.946 -7.365 -7.084 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.004 -8.975 -4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.087 -11.526 -4.747 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.968 -9.351 -9.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.341 -13.468 -6.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.664 -11.585 -10.213 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.356 -13.640 -9.004 1.00 0.00 H new ATOM 444 N ALA A 167 30.157 -4.966 -6.567 1.00 0.00 N ATOM 445 CA ALA A 167 30.363 -3.574 -6.210 1.00 0.00 C ATOM 446 C ALA A 167 30.332 -2.698 -7.466 1.00 0.00 C ATOM 447 O ALA A 167 29.809 -1.586 -7.427 1.00 0.00 O ATOM 448 CB ALA A 167 31.704 -3.434 -5.488 1.00 0.00 C ATOM 0 H ALA A 167 30.899 -5.593 -6.256 1.00 0.00 H new ATOM 0 HA ALA A 167 29.564 -3.244 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.864 -2.390 -5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.697 -4.046 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.508 -3.766 -6.145 1.00 0.00 H new ATOM 454 N GLU A 168 30.893 -3.204 -8.579 1.00 0.00 N ATOM 455 CA GLU A 168 30.940 -2.459 -9.832 1.00 0.00 C ATOM 456 C GLU A 168 29.716 -2.771 -10.698 1.00 0.00 C ATOM 457 O GLU A 168 29.187 -1.878 -11.354 1.00 0.00 O ATOM 458 CB GLU A 168 32.239 -2.785 -10.574 1.00 0.00 C ATOM 459 CG GLU A 168 33.418 -2.084 -9.885 1.00 0.00 C ATOM 460 CD GLU A 168 33.253 -0.564 -9.917 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.521 0.018 -10.989 1.00 0.00 O ATOM 462 OE2 GLU A 168 32.856 -0.009 -8.867 1.00 0.00 O ATOM 0 H GLU A 168 31.319 -4.129 -8.627 1.00 0.00 H new ATOM 0 HA GLU A 168 30.920 -1.392 -9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.401 -3.863 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.167 -2.461 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.492 -2.423 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.349 -2.362 -10.379 1.00 0.00 H new ATOM 469 N ILE A 169 29.259 -4.029 -10.702 1.00 0.00 N ATOM 470 CA ILE A 169 28.085 -4.411 -11.487 1.00 0.00 C ATOM 471 C ILE A 169 26.872 -3.622 -10.982 1.00 0.00 C ATOM 472 O ILE A 169 26.101 -3.077 -11.772 1.00 0.00 O ATOM 473 CB ILE A 169 27.848 -5.928 -11.377 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.126 -6.685 -11.783 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.693 -6.333 -12.302 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.908 -8.196 -11.676 1.00 0.00 C ATOM 0 H ILE A 169 29.682 -4.792 -10.174 1.00 0.00 H new ATOM 0 HA ILE A 169 28.245 -4.176 -12.539 1.00 0.00 H new ATOM 0 HB ILE A 169 27.594 -6.180 -10.347 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.403 -6.423 -12.804 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.954 -6.384 -11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.524 -7.407 -12.225 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.788 -5.802 -12.008 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.945 -6.078 -13.331 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.820 -8.717 -11.966 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.654 -8.455 -10.648 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.094 -8.494 -12.337 1.00 0.00 H new ATOM 488 N ALA A 170 26.724 -3.559 -9.656 1.00 0.00 N ATOM 489 CA ALA A 170 25.649 -2.822 -9.013 1.00 0.00 C ATOM 490 C ALA A 170 25.783 -1.329 -9.327 1.00 0.00 C ATOM 491 O ALA A 170 24.787 -0.620 -9.396 1.00 0.00 O ATOM 492 CB ALA A 170 25.710 -3.076 -7.501 1.00 0.00 C ATOM 0 H ALA A 170 27.353 -4.023 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 170 24.683 -3.159 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.908 -2.528 -7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.594 -4.142 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.671 -2.739 -7.114 1.00 0.00 H new ATOM 498 N LYS A 171 27.024 -0.866 -9.523 1.00 0.00 N ATOM 499 CA LYS A 171 27.300 0.525 -9.859 1.00 0.00 C ATOM 500 C LYS A 171 26.821 0.817 -11.283 1.00 0.00 C ATOM 501 O LYS A 171 26.222 1.860 -11.536 1.00 0.00 O ATOM 502 CB LYS A 171 28.817 0.768 -9.746 1.00 0.00 C ATOM 503 CG LYS A 171 29.138 1.858 -8.710 1.00 0.00 C ATOM 504 CD LYS A 171 29.519 3.175 -9.411 1.00 0.00 C ATOM 505 CE LYS A 171 30.850 3.038 -10.184 1.00 0.00 C ATOM 506 NZ LYS A 171 31.919 2.446 -9.353 1.00 0.00 N ATOM 0 H LYS A 171 27.859 -1.448 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 171 26.772 1.188 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.315 -0.160 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.213 1.061 -10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.275 2.020 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.957 1.530 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.725 3.465 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 171 29.606 3.971 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.693 2.419 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.167 4.020 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.847 2.732 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.822 2.780 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.842 1.409 -9.375 1.00 0.00 H new ATOM 520 N LEU A 172 27.096 -0.111 -12.213 1.00 0.00 N ATOM 521 CA LEU A 172 26.707 0.046 -13.609 1.00 0.00 C ATOM 522 C LEU A 172 25.184 0.053 -13.737 1.00 0.00 C ATOM 523 O LEU A 172 24.635 0.822 -14.526 1.00 0.00 O ATOM 524 CB LEU A 172 27.315 -1.091 -14.442 1.00 0.00 C ATOM 525 CG LEU A 172 28.833 -0.893 -14.587 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.484 -2.219 -14.986 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.125 0.156 -15.667 1.00 0.00 C ATOM 0 H LEU A 172 27.590 -0.981 -12.014 1.00 0.00 H new ATOM 0 HA LEU A 172 27.083 0.998 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.110 -2.050 -13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.849 -1.119 -15.427 1.00 0.00 H new ATOM 0 HG LEU A 172 29.239 -0.552 -13.635 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.560 -2.080 -15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.287 -2.967 -14.218 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.069 -2.557 -15.936 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.203 0.290 -15.763 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.715 -0.179 -16.620 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.665 1.104 -15.387 1.00 0.00 H new ATOM 539 N LEU A 173 24.499 -0.798 -12.962 1.00 0.00 N ATOM 540 CA LEU A 173 23.045 -0.864 -12.997 1.00 0.00 C ATOM 541 C LEU A 173 22.472 0.298 -12.173 1.00 0.00 C ATOM 542 O LEU A 173 23.107 0.743 -11.222 1.00 0.00 O ATOM 543 CB LEU A 173 22.584 -2.216 -12.441 1.00 0.00 C ATOM 544 CG LEU A 173 22.888 -3.334 -13.451 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.926 -4.679 -12.727 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.800 -3.374 -14.531 1.00 0.00 C ATOM 0 H LEU A 173 24.934 -1.447 -12.306 1.00 0.00 H new ATOM 0 HA LEU A 173 22.685 -0.775 -14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.089 -2.421 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.515 -2.186 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 173 23.853 -3.138 -13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.142 -5.472 -13.443 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.703 -4.659 -11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.960 -4.867 -12.258 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.023 -4.169 -15.243 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.833 -3.564 -14.066 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.770 -2.418 -15.053 1.00 0.00 H new ATOM 558 N PRO A 174 21.277 0.809 -12.541 1.00 0.00 N ATOM 559 CA PRO A 174 20.673 1.943 -11.869 1.00 0.00 C ATOM 560 C PRO A 174 20.185 1.573 -10.457 1.00 0.00 C ATOM 561 O PRO A 174 20.943 1.677 -9.496 1.00 0.00 O ATOM 562 CB PRO A 174 19.523 2.385 -12.787 1.00 0.00 C ATOM 563 CG PRO A 174 19.251 1.205 -13.726 1.00 0.00 C ATOM 564 CD PRO A 174 20.487 0.305 -13.651 1.00 0.00 C ATOM 0 HA PRO A 174 21.387 2.751 -11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.635 2.634 -12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.795 3.277 -13.351 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.356 0.663 -13.421 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.082 1.550 -14.746 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.204 -0.735 -13.489 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.053 0.340 -14.582 1.00 0.00 H new ATOM 572 N GLY A 175 18.915 1.157 -10.329 1.00 0.00 N ATOM 573 CA GLY A 175 18.321 0.852 -9.032 1.00 0.00 C ATOM 574 C GLY A 175 18.508 -0.615 -8.659 1.00 0.00 C ATOM 575 O GLY A 175 17.538 -1.283 -8.308 1.00 0.00 O ATOM 0 H GLY A 175 18.282 1.026 -11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.773 1.483 -8.267 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.257 1.090 -9.053 1.00 0.00 H new ATOM 579 N ARG A 176 19.750 -1.111 -8.726 1.00 0.00 N ATOM 580 CA ARG A 176 20.059 -2.494 -8.369 1.00 0.00 C ATOM 581 C ARG A 176 21.209 -2.498 -7.363 1.00 0.00 C ATOM 582 O ARG A 176 22.253 -1.904 -7.615 1.00 0.00 O ATOM 583 CB ARG A 176 20.443 -3.286 -9.624 1.00 0.00 C ATOM 584 CG ARG A 176 19.289 -3.301 -10.644 1.00 0.00 C ATOM 585 CD ARG A 176 18.075 -4.049 -10.074 1.00 0.00 C ATOM 586 NE ARG A 176 17.206 -4.538 -11.156 1.00 0.00 N ATOM 587 CZ ARG A 176 16.065 -5.214 -10.937 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.665 -5.475 -9.684 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.326 -5.628 -11.973 1.00 0.00 N ATOM 0 H ARG A 176 20.559 -0.568 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 176 19.184 -2.966 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.329 -2.845 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.702 -4.308 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.007 -2.279 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.618 -3.779 -11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.412 -4.888 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.509 -3.387 -9.419 1.00 0.00 H new ATOM 0 HE ARG A 176 17.483 -4.355 -12.120 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.227 -5.160 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.799 -5.988 -9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.629 -5.430 -12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.460 -6.141 -11.809 1.00 0.00 H new ATOM 603 N THR A 177 21.009 -3.164 -6.219 1.00 0.00 N ATOM 604 CA THR A 177 22.012 -3.216 -5.163 1.00 0.00 C ATOM 605 C THR A 177 22.914 -4.439 -5.332 1.00 0.00 C ATOM 606 O THR A 177 22.586 -5.370 -6.073 1.00 0.00 O ATOM 607 CB THR A 177 21.306 -3.264 -3.805 1.00 0.00 C ATOM 608 OG1 THR A 177 20.479 -4.407 -3.749 1.00 0.00 O ATOM 609 CG2 THR A 177 20.453 -2.007 -3.613 1.00 0.00 C ATOM 0 H THR A 177 20.153 -3.676 -6.006 1.00 0.00 H new ATOM 0 HA THR A 177 22.638 -2.326 -5.221 1.00 0.00 H new ATOM 0 HB THR A 177 22.054 -3.311 -3.013 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.898 -4.352 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.955 -2.050 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.091 -1.124 -3.654 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.705 -1.951 -4.404 1.00 0.00 H new ATOM 617 N ASP A 178 24.054 -4.433 -4.625 1.00 0.00 N ATOM 618 CA ASP A 178 25.003 -5.534 -4.656 1.00 0.00 C ATOM 619 C ASP A 178 24.334 -6.812 -4.158 1.00 0.00 C ATOM 620 O ASP A 178 24.560 -7.885 -4.706 1.00 0.00 O ATOM 621 CB ASP A 178 26.209 -5.183 -3.772 1.00 0.00 C ATOM 622 CG ASP A 178 25.884 -5.386 -2.293 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.083 -4.580 -1.770 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.434 -6.354 -1.719 1.00 0.00 O ATOM 0 H ASP A 178 24.335 -3.662 -4.019 1.00 0.00 H new ATOM 0 HA ASP A 178 25.342 -5.698 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.060 -5.805 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.501 -4.147 -3.945 1.00 0.00 H new ATOM 629 N ASN A 179 23.518 -6.688 -3.107 1.00 0.00 N ATOM 630 CA ASN A 179 22.834 -7.822 -2.510 1.00 0.00 C ATOM 631 C ASN A 179 21.760 -8.354 -3.456 1.00 0.00 C ATOM 632 O ASN A 179 21.580 -9.564 -3.555 1.00 0.00 O ATOM 633 CB ASN A 179 22.236 -7.420 -1.152 1.00 0.00 C ATOM 634 CG ASN A 179 21.484 -6.094 -1.227 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.291 -6.068 -1.513 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.186 -4.988 -0.966 1.00 0.00 N ATOM 0 H ASN A 179 23.318 -5.797 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 179 23.552 -8.624 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.558 -8.202 -0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.034 -7.343 -0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 179 21.731 -4.076 -1.000 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.177 -5.056 -0.732 1.00 0.00 H new ATOM 643 N ALA A 180 21.052 -7.459 -4.156 1.00 0.00 N ATOM 644 CA ALA A 180 20.012 -7.868 -5.090 1.00 0.00 C ATOM 645 C ALA A 180 20.617 -8.717 -6.208 1.00 0.00 C ATOM 646 O ALA A 180 20.129 -9.811 -6.488 1.00 0.00 O ATOM 647 CB ALA A 180 19.323 -6.629 -5.665 1.00 0.00 C ATOM 0 H ALA A 180 21.185 -6.450 -4.089 1.00 0.00 H new ATOM 0 HA ALA A 180 19.270 -8.470 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.545 -6.937 -6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.876 -6.052 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.056 -6.014 -6.186 1.00 0.00 H new ATOM 653 N ILE A 181 21.678 -8.209 -6.847 1.00 0.00 N ATOM 654 CA ILE A 181 22.335 -8.911 -7.944 1.00 0.00 C ATOM 655 C ILE A 181 22.990 -10.193 -7.431 1.00 0.00 C ATOM 656 O ILE A 181 22.804 -11.257 -8.010 1.00 0.00 O ATOM 657 CB ILE A 181 23.381 -7.988 -8.586 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.683 -6.779 -9.221 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.149 -8.752 -9.671 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.651 -5.603 -9.300 1.00 0.00 C ATOM 0 H ILE A 181 22.098 -7.308 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 181 21.595 -9.184 -8.696 1.00 0.00 H new ATOM 0 HB ILE A 181 24.075 -7.648 -7.817 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.327 -7.036 -10.219 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.808 -6.502 -8.632 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.890 -8.094 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.651 -9.611 -9.225 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.453 -9.095 -10.436 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.149 -4.748 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.985 -5.339 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.512 -5.881 -9.908 1.00 0.00 H new ATOM 672 N LYS A 182 23.760 -10.080 -6.345 1.00 0.00 N ATOM 673 CA LYS A 182 24.455 -11.214 -5.751 1.00 0.00 C ATOM 674 C LYS A 182 23.468 -12.348 -5.466 1.00 0.00 C ATOM 675 O LYS A 182 23.692 -13.485 -5.882 1.00 0.00 O ATOM 676 CB LYS A 182 25.145 -10.731 -4.470 1.00 0.00 C ATOM 677 CG LYS A 182 25.734 -11.905 -3.685 1.00 0.00 C ATOM 678 CD LYS A 182 26.740 -11.396 -2.635 1.00 0.00 C ATOM 679 CE LYS A 182 26.137 -10.254 -1.795 1.00 0.00 C ATOM 680 NZ LYS A 182 26.372 -8.933 -2.424 1.00 0.00 N ATOM 0 H LYS A 182 23.916 -9.198 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 182 25.205 -11.608 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.936 -10.026 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.428 -10.196 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.935 -12.460 -3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.229 -12.596 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.033 -12.217 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.644 -11.047 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 182 25.066 -10.416 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 182 26.574 -10.265 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 26.422 -8.201 -1.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 27.268 -8.954 -2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.591 -8.715 -3.076 1.00 0.00 H new ATOM 694 N ASN A 183 22.378 -12.035 -4.758 1.00 0.00 N ATOM 695 CA ASN A 183 21.366 -13.024 -4.420 1.00 0.00 C ATOM 696 C ASN A 183 20.748 -13.600 -5.693 1.00 0.00 C ATOM 697 O ASN A 183 20.709 -14.813 -5.863 1.00 0.00 O ATOM 698 CB ASN A 183 20.291 -12.373 -3.547 1.00 0.00 C ATOM 699 CG ASN A 183 19.151 -13.348 -3.273 1.00 0.00 C ATOM 700 OD1 ASN A 183 19.232 -14.159 -2.356 1.00 0.00 O ATOM 701 ND2 ASN A 183 18.087 -13.268 -4.073 1.00 0.00 N ATOM 0 H ASN A 183 22.179 -11.097 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 183 21.827 -13.841 -3.865 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.730 -12.046 -2.604 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.903 -11.483 -4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 183 17.296 -13.897 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.064 -12.577 -4.823 1.00 0.00 H new ATOM 708 N HIS A 184 20.263 -12.720 -6.579 1.00 0.00 N ATOM 709 CA HIS A 184 19.622 -13.130 -7.824 1.00 0.00 C ATOM 710 C HIS A 184 20.508 -14.107 -8.599 1.00 0.00 C ATOM 711 O HIS A 184 20.027 -15.131 -9.078 1.00 0.00 O ATOM 712 CB HIS A 184 19.331 -11.883 -8.663 1.00 0.00 C ATOM 713 CG HIS A 184 18.963 -12.202 -10.090 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.162 -13.284 -10.445 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.279 -11.596 -11.278 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.054 -13.261 -11.788 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.713 -12.254 -12.356 1.00 0.00 N ATOM 0 H HIS A 184 20.306 -11.709 -6.449 1.00 0.00 H new ATOM 0 HA HIS A 184 18.688 -13.645 -7.597 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.518 -11.323 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.208 -11.235 -8.656 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.895 -10.713 -11.363 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.487 -13.989 -12.349 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.784 -12.023 -13.347 1.00 0.00 H new ATOM 725 N TRP A 185 21.795 -13.789 -8.729 1.00 0.00 N ATOM 726 CA TRP A 185 22.720 -14.629 -9.465 1.00 0.00 C ATOM 727 C TRP A 185 22.849 -15.995 -8.793 1.00 0.00 C ATOM 728 O TRP A 185 22.724 -17.019 -9.451 1.00 0.00 O ATOM 729 CB TRP A 185 24.083 -13.936 -9.551 1.00 0.00 C ATOM 730 CG TRP A 185 25.120 -14.710 -10.305 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.856 -15.714 -9.808 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.549 -14.572 -11.693 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.707 -16.221 -10.758 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.562 -15.548 -11.954 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.188 -13.729 -12.764 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.178 -15.676 -13.202 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.803 -13.854 -14.026 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.798 -14.824 -14.244 1.00 0.00 C ATOM 0 H TRP A 185 22.216 -12.950 -8.330 1.00 0.00 H new ATOM 0 HA TRP A 185 22.339 -14.785 -10.474 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.954 -12.964 -10.027 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.448 -13.750 -8.541 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.788 -16.077 -8.793 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.358 -16.990 -10.601 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.428 -12.976 -12.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.940 -16.425 -13.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.508 -13.199 -14.833 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.267 -14.911 -15.213 1.00 0.00 H new ATOM 749 N ASN A 186 23.106 -16.011 -7.484 1.00 0.00 N ATOM 750 CA ASN A 186 23.297 -17.260 -6.755 1.00 0.00 C ATOM 751 C ASN A 186 21.996 -18.065 -6.668 1.00 0.00 C ATOM 752 O ASN A 186 22.042 -19.278 -6.482 1.00 0.00 O ATOM 753 CB ASN A 186 23.833 -16.955 -5.353 1.00 0.00 C ATOM 754 CG ASN A 186 25.337 -16.702 -5.388 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.125 -17.607 -5.130 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.735 -15.471 -5.707 1.00 0.00 N ATOM 0 H ASN A 186 23.186 -15.172 -6.910 1.00 0.00 H new ATOM 0 HA ASN A 186 24.020 -17.869 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.323 -16.082 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.616 -17.790 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.730 -15.250 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.045 -14.749 -5.914 1.00 0.00 H new ATOM 763 N SER A 187 20.842 -17.404 -6.792 1.00 0.00 N ATOM 764 CA SER A 187 19.557 -18.081 -6.703 1.00 0.00 C ATOM 765 C SER A 187 19.094 -18.557 -8.081 1.00 0.00 C ATOM 766 O SER A 187 18.384 -19.556 -8.177 1.00 0.00 O ATOM 767 CB SER A 187 18.525 -17.127 -6.095 1.00 0.00 C ATOM 768 OG SER A 187 18.239 -16.082 -7.002 1.00 0.00 O ATOM 0 H SER A 187 20.777 -16.399 -6.954 1.00 0.00 H new ATOM 0 HA SER A 187 19.663 -18.958 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.612 -17.671 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.905 -16.715 -5.160 1.00 0.00 H new ATOM 0 HG SER A 187 19.003 -15.951 -7.602 1.00 0.00 H new ATOM 774 N THR A 188 19.478 -17.830 -9.141 1.00 0.00 N ATOM 775 CA THR A 188 19.031 -18.135 -10.496 1.00 0.00 C ATOM 776 C THR A 188 20.199 -18.576 -11.384 1.00 0.00 C ATOM 777 O THR A 188 20.230 -19.718 -11.839 1.00 0.00 O ATOM 778 CB THR A 188 18.339 -16.890 -11.080 1.00 0.00 C ATOM 779 OG1 THR A 188 17.627 -16.218 -10.058 1.00 0.00 O ATOM 780 CG2 THR A 188 17.368 -17.308 -12.185 1.00 0.00 C ATOM 0 H THR A 188 20.100 -17.024 -9.078 1.00 0.00 H new ATOM 0 HA THR A 188 18.326 -18.966 -10.462 1.00 0.00 H new ATOM 0 HB THR A 188 19.095 -16.224 -11.496 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.771 -15.252 -10.140 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.881 -16.423 -12.595 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.916 -17.820 -12.976 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.614 -17.979 -11.773 1.00 0.00 H new ATOM 788 N MET A 189 21.151 -17.670 -11.646 1.00 0.00 N ATOM 789 CA MET A 189 22.267 -17.954 -12.544 1.00 0.00 C ATOM 790 C MET A 189 23.435 -18.575 -11.775 1.00 0.00 C ATOM 791 O MET A 189 24.569 -18.110 -11.881 1.00 0.00 O ATOM 792 CB MET A 189 22.703 -16.655 -13.233 1.00 0.00 C ATOM 793 CG MET A 189 21.597 -16.163 -14.171 1.00 0.00 C ATOM 794 SD MET A 189 22.034 -14.665 -15.091 1.00 0.00 S ATOM 795 CE MET A 189 21.872 -13.455 -13.757 1.00 0.00 C ATOM 0 H MET A 189 21.166 -16.732 -11.245 1.00 0.00 H new ATOM 0 HA MET A 189 21.947 -18.672 -13.299 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.923 -15.893 -12.485 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.621 -16.823 -13.796 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.354 -16.955 -14.879 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.697 -15.970 -13.587 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.678 -12.725 -13.828 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.912 -12.945 -13.843 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.928 -13.964 -12.795 1.00 0.00 H new ATOM 805 N ARG A 190 23.161 -19.633 -11.007 1.00 0.00 N ATOM 806 CA ARG A 190 24.195 -20.314 -10.242 1.00 0.00 C ATOM 807 C ARG A 190 24.977 -21.264 -11.152 1.00 0.00 C ATOM 808 O ARG A 190 26.134 -21.580 -10.873 1.00 0.00 O ATOM 809 CB ARG A 190 23.549 -21.076 -9.084 1.00 0.00 C ATOM 810 CG ARG A 190 24.637 -21.640 -8.163 1.00 0.00 C ATOM 811 CD ARG A 190 24.016 -22.065 -6.832 1.00 0.00 C ATOM 812 NE ARG A 190 25.041 -22.591 -5.921 1.00 0.00 N ATOM 813 CZ ARG A 190 24.855 -22.707 -4.594 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.689 -22.344 -4.039 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.839 -23.187 -3.823 1.00 0.00 N ATOM 0 H ARG A 190 22.229 -20.033 -10.902 1.00 0.00 H new ATOM 0 HA ARG A 190 24.893 -19.583 -9.834 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.892 -20.413 -8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.930 -21.886 -9.470 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.123 -22.493 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.408 -20.889 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.516 -21.213 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.255 -22.825 -7.007 1.00 0.00 H new ATOM 0 HE ARG A 190 25.936 -22.882 -6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.938 -21.978 -4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.554 -22.434 -3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.727 -23.464 -4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.701 -23.276 -2.816 1.00 0.00 H new