USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=7 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= -0.794 X(o=0.26,f=0.4) USER MOD Set 1.2: A 187 SER OG : rot -96:sc= 1.01 USER MOD Set 1.3: A 188 THR OG1 : rot 138:sc= 0.0453 USER MOD Set 2.1: A 179 ASN : amide:sc= 1.91 K(o=2.8,f=-1.9) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 178:sc= 0.892 (180deg=-0.137) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.0932 K(o=0.17,f=-4) USER MOD Set 3.2: A 164 ASN : amide:sc= 0.265 X(o=0.17,f=-0.23!) USER MOD Single : A 148 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.25) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 186 ASN : amide:sc= 0.936 K(o=0.94,f=0) USER MOD Single : A 189 MET CE :methyl 178:sc= -1.51 (180deg=-1.54) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.189 -10.760 -13.057 1.00 0.00 N ATOM 89 CA TRP A 147 14.223 -10.063 -13.806 1.00 0.00 C ATOM 90 C TRP A 147 13.882 -10.089 -15.296 1.00 0.00 C ATOM 91 O TRP A 147 12.978 -10.815 -15.714 1.00 0.00 O ATOM 92 CB TRP A 147 15.570 -10.743 -13.549 1.00 0.00 C ATOM 93 CG TRP A 147 16.274 -10.288 -12.311 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.023 -10.708 -11.059 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.357 -9.322 -12.184 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.858 -10.090 -10.158 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.710 -9.215 -10.802 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.083 -8.521 -13.092 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.721 -8.366 -10.351 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.102 -7.660 -12.641 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.420 -7.585 -11.275 1.00 0.00 C ATOM 0 HA TRP A 147 14.283 -9.024 -13.483 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.412 -11.820 -13.486 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.220 -10.566 -14.406 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.267 -11.433 -10.796 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.849 -10.255 -9.152 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.854 -8.569 -14.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.961 -8.313 -9.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.643 -7.052 -13.351 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.205 -6.924 -10.939 1.00 0.00 H new ATOM 112 N THR A 148 14.610 -9.295 -16.094 1.00 0.00 N ATOM 113 CA THR A 148 14.404 -9.235 -17.535 1.00 0.00 C ATOM 114 C THR A 148 15.715 -9.564 -18.245 1.00 0.00 C ATOM 115 O THR A 148 16.791 -9.255 -17.736 1.00 0.00 O ATOM 116 CB THR A 148 13.905 -7.840 -17.934 1.00 0.00 C ATOM 117 OG1 THR A 148 14.907 -6.883 -17.675 1.00 0.00 O ATOM 118 CG2 THR A 148 12.643 -7.486 -17.141 1.00 0.00 C ATOM 0 H THR A 148 15.352 -8.683 -15.755 1.00 0.00 H new ATOM 0 HA THR A 148 13.650 -9.964 -17.830 1.00 0.00 H new ATOM 0 HB THR A 148 13.670 -7.841 -18.998 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.059 -6.822 -16.709 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.297 -6.494 -17.432 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.864 -8.218 -17.352 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.869 -7.493 -16.075 1.00 0.00 H new ATOM 126 N GLU A 149 15.619 -10.191 -19.424 1.00 0.00 N ATOM 127 CA GLU A 149 16.790 -10.580 -20.200 1.00 0.00 C ATOM 128 C GLU A 149 17.712 -9.381 -20.430 1.00 0.00 C ATOM 129 O GLU A 149 18.932 -9.531 -20.419 1.00 0.00 O ATOM 130 CB GLU A 149 16.345 -11.152 -21.547 1.00 0.00 C ATOM 131 CG GLU A 149 15.500 -12.413 -21.344 1.00 0.00 C ATOM 132 CD GLU A 149 15.092 -13.012 -22.687 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.745 -12.652 -23.694 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.137 -13.816 -22.682 1.00 0.00 O ATOM 0 H GLU A 149 14.731 -10.439 -19.860 1.00 0.00 H new ATOM 0 HA GLU A 149 17.340 -11.337 -19.642 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.768 -10.405 -22.093 1.00 0.00 H new ATOM 0 HB3 GLU A 149 17.219 -11.387 -22.155 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.065 -13.147 -20.770 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.610 -12.171 -20.763 1.00 0.00 H new ATOM 141 N GLU A 150 17.123 -8.198 -20.649 1.00 0.00 N ATOM 142 CA GLU A 150 17.884 -6.984 -20.917 1.00 0.00 C ATOM 143 C GLU A 150 18.777 -6.627 -19.725 1.00 0.00 C ATOM 144 O GLU A 150 19.859 -6.075 -19.909 1.00 0.00 O ATOM 145 CB GLU A 150 16.911 -5.841 -21.232 1.00 0.00 C ATOM 146 CG GLU A 150 17.594 -4.800 -22.129 1.00 0.00 C ATOM 147 CD GLU A 150 17.855 -5.362 -23.524 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.865 -5.775 -24.165 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.042 -5.374 -23.923 1.00 0.00 O ATOM 0 H GLU A 150 16.112 -8.062 -20.644 1.00 0.00 H new ATOM 0 HA GLU A 150 18.535 -7.149 -21.776 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.024 -6.234 -21.728 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.577 -5.372 -20.307 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.967 -3.912 -22.203 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.536 -4.488 -21.677 1.00 0.00 H new ATOM 156 N GLU A 151 18.325 -6.940 -18.508 1.00 0.00 N ATOM 157 CA GLU A 151 19.082 -6.647 -17.301 1.00 0.00 C ATOM 158 C GLU A 151 20.046 -7.798 -16.994 1.00 0.00 C ATOM 159 O GLU A 151 21.167 -7.568 -16.539 1.00 0.00 O ATOM 160 CB GLU A 151 18.106 -6.437 -16.140 1.00 0.00 C ATOM 161 CG GLU A 151 17.264 -5.178 -16.382 1.00 0.00 C ATOM 162 CD GLU A 151 16.161 -5.053 -15.336 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.457 -6.068 -15.122 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.040 -3.948 -14.764 1.00 0.00 O ATOM 0 H GLU A 151 17.431 -7.400 -18.338 1.00 0.00 H new ATOM 0 HA GLU A 151 19.670 -5.740 -17.444 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.455 -7.306 -16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.657 -6.342 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.903 -4.296 -16.349 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.824 -5.216 -17.378 1.00 0.00 H new ATOM 171 N ASP A 152 19.604 -9.037 -17.239 1.00 0.00 N ATOM 172 CA ASP A 152 20.405 -10.222 -16.962 1.00 0.00 C ATOM 173 C ASP A 152 21.655 -10.258 -17.840 1.00 0.00 C ATOM 174 O ASP A 152 22.744 -10.541 -17.345 1.00 0.00 O ATOM 175 CB ASP A 152 19.556 -11.477 -17.196 1.00 0.00 C ATOM 176 CG ASP A 152 18.389 -11.550 -16.217 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.594 -11.138 -15.056 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.314 -12.018 -16.649 1.00 0.00 O ATOM 0 H ASP A 152 18.685 -9.240 -17.633 1.00 0.00 H new ATOM 0 HA ASP A 152 20.729 -10.189 -15.922 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.176 -11.476 -18.218 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.179 -12.365 -17.089 1.00 0.00 H new ATOM 183 N ARG A 153 21.505 -9.985 -19.144 1.00 0.00 N ATOM 184 CA ARG A 153 22.630 -10.037 -20.074 1.00 0.00 C ATOM 185 C ARG A 153 23.736 -9.064 -19.649 1.00 0.00 C ATOM 186 O ARG A 153 24.915 -9.355 -19.842 1.00 0.00 O ATOM 187 CB ARG A 153 22.147 -9.745 -21.503 1.00 0.00 C ATOM 188 CG ARG A 153 21.640 -8.302 -21.618 1.00 0.00 C ATOM 189 CD ARG A 153 20.935 -8.099 -22.962 1.00 0.00 C ATOM 190 NE ARG A 153 19.766 -8.983 -23.089 1.00 0.00 N ATOM 191 CZ ARG A 153 18.922 -8.945 -24.137 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.905 -7.884 -24.953 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.094 -9.972 -24.364 1.00 0.00 N ATOM 0 H ARG A 153 20.616 -9.727 -19.573 1.00 0.00 H new ATOM 0 HA ARG A 153 23.054 -11.041 -20.055 1.00 0.00 H new ATOM 0 HB2 ARG A 153 22.962 -9.907 -22.208 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.350 -10.439 -21.772 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.952 -8.083 -20.801 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.474 -7.607 -21.527 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.620 -7.060 -23.057 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.633 -8.296 -23.775 1.00 0.00 H new ATOM 0 HE ARG A 153 19.586 -9.658 -22.346 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.534 -7.099 -24.782 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.263 -7.860 -25.746 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.103 -10.781 -23.743 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.454 -9.945 -25.158 1.00 0.00 H new ATOM 207 N ILE A 154 23.361 -7.915 -19.070 1.00 0.00 N ATOM 208 CA ILE A 154 24.336 -6.927 -18.625 1.00 0.00 C ATOM 209 C ILE A 154 25.212 -7.538 -17.532 1.00 0.00 C ATOM 210 O ILE A 154 26.439 -7.507 -17.629 1.00 0.00 O ATOM 211 CB ILE A 154 23.608 -5.671 -18.107 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.844 -4.982 -19.258 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.620 -4.697 -17.488 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.799 -4.194 -20.165 1.00 0.00 C ATOM 0 H ILE A 154 22.390 -7.653 -18.902 1.00 0.00 H new ATOM 0 HA ILE A 154 24.972 -6.633 -19.460 1.00 0.00 H new ATOM 0 HB ILE A 154 22.891 -5.971 -17.343 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.315 -5.731 -19.847 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.091 -4.310 -18.847 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.098 -3.812 -17.124 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.132 -5.183 -16.657 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.350 -4.403 -18.242 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.232 -3.720 -20.966 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.309 -3.429 -19.579 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.536 -4.873 -20.595 1.00 0.00 H new ATOM 226 N ILE A 155 24.578 -8.094 -16.494 1.00 0.00 N ATOM 227 CA ILE A 155 25.299 -8.706 -15.387 1.00 0.00 C ATOM 228 C ILE A 155 26.119 -9.884 -15.898 1.00 0.00 C ATOM 229 O ILE A 155 27.266 -10.040 -15.518 1.00 0.00 O ATOM 230 CB ILE A 155 24.305 -9.165 -14.310 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.599 -7.943 -13.712 1.00 0.00 C ATOM 232 CG2 ILE A 155 25.051 -9.917 -13.195 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.245 -8.357 -13.149 1.00 0.00 C ATOM 0 H ILE A 155 23.563 -8.130 -16.403 1.00 0.00 H new ATOM 0 HA ILE A 155 25.976 -7.975 -14.945 1.00 0.00 H new ATOM 0 HB ILE A 155 23.570 -9.830 -14.763 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.213 -7.506 -12.925 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.467 -7.177 -14.476 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.340 -10.239 -12.435 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.552 -10.789 -13.616 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.791 -9.257 -12.743 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.746 -7.486 -12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.631 -8.774 -13.947 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.388 -9.108 -12.372 1.00 0.00 H new ATOM 245 N TYR A 156 25.524 -10.713 -16.758 1.00 0.00 N ATOM 246 CA TYR A 156 26.200 -11.885 -17.294 1.00 0.00 C ATOM 247 C TYR A 156 27.493 -11.490 -18.008 1.00 0.00 C ATOM 248 O TYR A 156 28.544 -12.090 -17.764 1.00 0.00 O ATOM 249 CB TYR A 156 25.259 -12.624 -18.248 1.00 0.00 C ATOM 250 CG TYR A 156 25.821 -13.946 -18.727 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.643 -13.991 -19.869 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.527 -15.130 -18.028 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.170 -15.217 -20.308 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.054 -16.355 -18.468 1.00 0.00 C ATOM 255 CZ TYR A 156 26.875 -16.400 -19.608 1.00 0.00 C ATOM 256 OH TYR A 156 27.388 -17.590 -20.031 1.00 0.00 O ATOM 0 H TYR A 156 24.570 -10.589 -17.097 1.00 0.00 H new ATOM 0 HA TYR A 156 26.467 -12.547 -16.470 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.307 -12.800 -17.747 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.053 -11.990 -19.110 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.869 -13.083 -20.408 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.896 -15.097 -17.152 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.802 -15.251 -21.183 1.00 0.00 H new ATOM 0 HE2 TYR A 156 25.828 -17.264 -17.930 1.00 0.00 H new ATOM 0 HH TYR A 156 27.087 -18.307 -19.434 1.00 0.00 H new ATOM 266 N GLN A 157 27.419 -10.492 -18.893 1.00 0.00 N ATOM 267 CA GLN A 157 28.577 -10.048 -19.652 1.00 0.00 C ATOM 268 C GLN A 157 29.614 -9.425 -18.720 1.00 0.00 C ATOM 269 O GLN A 157 30.790 -9.772 -18.784 1.00 0.00 O ATOM 270 CB GLN A 157 28.127 -9.045 -20.721 1.00 0.00 C ATOM 271 CG GLN A 157 29.269 -8.780 -21.711 1.00 0.00 C ATOM 272 CD GLN A 157 29.619 -10.040 -22.499 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.707 -10.591 -22.345 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.694 -10.496 -23.342 1.00 0.00 N ATOM 0 H GLN A 157 26.562 -9.978 -19.098 1.00 0.00 H new ATOM 0 HA GLN A 157 29.041 -10.903 -20.144 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.258 -9.433 -21.252 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.821 -8.111 -20.249 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.980 -7.986 -22.399 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.148 -8.430 -21.171 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.805 -10.006 -23.437 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.875 -11.335 -23.892 1.00 0.00 H new ATOM 283 N ALA A 158 29.180 -8.505 -17.855 1.00 0.00 N ATOM 284 CA ALA A 158 30.081 -7.838 -16.927 1.00 0.00 C ATOM 285 C ALA A 158 30.772 -8.866 -16.028 1.00 0.00 C ATOM 286 O ALA A 158 31.971 -8.776 -15.792 1.00 0.00 O ATOM 287 CB ALA A 158 29.289 -6.832 -16.092 1.00 0.00 C ATOM 0 H ALA A 158 28.207 -8.208 -17.782 1.00 0.00 H new ATOM 0 HA ALA A 158 30.852 -7.307 -17.485 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.960 -6.330 -15.395 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.830 -6.094 -16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.511 -7.354 -15.535 1.00 0.00 H new ATOM 293 N HIS A 159 30.006 -9.841 -15.532 1.00 0.00 N ATOM 294 CA HIS A 159 30.519 -10.880 -14.650 1.00 0.00 C ATOM 295 C HIS A 159 31.583 -11.720 -15.363 1.00 0.00 C ATOM 296 O HIS A 159 32.481 -12.252 -14.720 1.00 0.00 O ATOM 297 CB HIS A 159 29.347 -11.760 -14.191 1.00 0.00 C ATOM 298 CG HIS A 159 29.725 -12.758 -13.127 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.567 -13.839 -13.364 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.380 -12.866 -11.805 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.671 -14.512 -12.201 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.969 -13.968 -11.208 1.00 0.00 N ATOM 0 H HIS A 159 29.010 -9.928 -15.734 1.00 0.00 H new ATOM 0 HA HIS A 159 30.992 -10.421 -13.782 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.550 -11.121 -13.811 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.945 -12.294 -15.052 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.728 -12.175 -11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.266 -15.406 -12.085 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.886 -14.286 -10.242 1.00 0.00 H new ATOM 310 N LYS A 160 31.483 -11.846 -16.690 1.00 0.00 N ATOM 311 CA LYS A 160 32.431 -12.638 -17.459 1.00 0.00 C ATOM 312 C LYS A 160 33.845 -12.067 -17.324 1.00 0.00 C ATOM 313 O LYS A 160 34.808 -12.825 -17.233 1.00 0.00 O ATOM 314 CB LYS A 160 31.993 -12.663 -18.928 1.00 0.00 C ATOM 315 CG LYS A 160 32.796 -13.714 -19.700 1.00 0.00 C ATOM 316 CD LYS A 160 32.385 -13.684 -21.174 1.00 0.00 C ATOM 317 CE LYS A 160 33.243 -14.671 -21.969 1.00 0.00 C ATOM 318 NZ LYS A 160 32.915 -14.618 -23.406 1.00 0.00 N ATOM 0 H LYS A 160 30.752 -11.407 -17.249 1.00 0.00 H new ATOM 0 HA LYS A 160 32.446 -13.657 -17.073 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.928 -12.887 -18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.140 -11.680 -19.376 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.863 -13.515 -19.604 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.618 -14.704 -19.281 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.331 -13.942 -21.273 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.506 -12.678 -21.575 1.00 0.00 H new ATOM 0 HE2 LYS A 160 34.298 -14.440 -21.824 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.084 -15.682 -21.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.510 -15.296 -23.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.913 -14.862 -23.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 33.090 -13.658 -23.767 1.00 0.00 H new ATOM 332 N ARG A 161 33.967 -10.735 -17.320 1.00 0.00 N ATOM 333 CA ARG A 161 35.265 -10.076 -17.238 1.00 0.00 C ATOM 334 C ARG A 161 35.615 -9.728 -15.788 1.00 0.00 C ATOM 335 O ARG A 161 36.751 -9.922 -15.362 1.00 0.00 O ATOM 336 CB ARG A 161 35.227 -8.808 -18.099 1.00 0.00 C ATOM 337 CG ARG A 161 36.622 -8.172 -18.155 1.00 0.00 C ATOM 338 CD ARG A 161 36.587 -6.918 -19.032 1.00 0.00 C ATOM 339 NE ARG A 161 36.282 -7.258 -20.428 1.00 0.00 N ATOM 340 CZ ARG A 161 36.156 -6.336 -21.398 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.344 -5.037 -21.122 1.00 0.00 N ATOM 342 NH2 ARG A 161 35.843 -6.716 -22.643 1.00 0.00 N ATOM 0 H ARG A 161 33.175 -10.094 -17.373 1.00 0.00 H new ATOM 0 HA ARG A 161 36.036 -10.752 -17.607 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.888 -9.052 -19.106 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.511 -8.098 -17.685 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.954 -7.914 -17.149 1.00 0.00 H new ATOM 0 HG3 ARG A 161 37.341 -8.886 -18.555 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.837 -6.225 -18.651 1.00 0.00 H new ATOM 0 HD3 ARG A 161 37.549 -6.407 -18.980 1.00 0.00 H new ATOM 0 HE ARG A 161 36.160 -8.241 -20.673 1.00 0.00 H new ATOM 0 HH11 ARG A 161 36.583 -4.746 -20.174 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.248 -4.340 -21.860 1.00 0.00 H new ATOM 0 HH21 ARG A 161 35.701 -7.704 -22.854 1.00 0.00 H new ATOM 0 HH22 ARG A 161 35.747 -6.018 -23.380 1.00 0.00 H new ATOM 356 N LEU A 162 34.643 -9.196 -15.043 1.00 0.00 N ATOM 357 CA LEU A 162 34.866 -8.746 -13.676 1.00 0.00 C ATOM 358 C LEU A 162 34.746 -9.907 -12.686 1.00 0.00 C ATOM 359 O LEU A 162 35.679 -10.168 -11.927 1.00 0.00 O ATOM 360 CB LEU A 162 33.847 -7.644 -13.336 1.00 0.00 C ATOM 361 CG LEU A 162 33.956 -6.473 -14.328 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.906 -5.418 -13.973 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.351 -5.842 -14.254 1.00 0.00 C ATOM 0 H LEU A 162 33.686 -9.068 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 162 35.878 -8.348 -13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.838 -8.055 -13.362 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.019 -7.284 -12.322 1.00 0.00 H new ATOM 0 HG LEU A 162 33.789 -6.845 -15.339 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.977 -4.585 -14.672 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.911 -5.860 -14.035 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.081 -5.057 -12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.414 -5.015 -14.961 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.529 -5.471 -13.245 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.103 -6.591 -14.504 1.00 0.00 H new ATOM 375 N GLY A 163 33.595 -10.588 -12.687 1.00 0.00 N ATOM 376 CA GLY A 163 33.329 -11.683 -11.762 1.00 0.00 C ATOM 377 C GLY A 163 32.206 -11.279 -10.811 1.00 0.00 C ATOM 378 O GLY A 163 31.281 -10.575 -11.211 1.00 0.00 O ATOM 0 H GLY A 163 32.827 -10.393 -13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.049 -12.580 -12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.230 -11.924 -11.198 1.00 0.00 H new ATOM 382 N ASN A 164 32.289 -11.715 -9.547 1.00 0.00 N ATOM 383 CA ASN A 164 31.274 -11.390 -8.545 1.00 0.00 C ATOM 384 C ASN A 164 31.540 -10.001 -7.954 1.00 0.00 C ATOM 385 O ASN A 164 31.301 -9.775 -6.768 1.00 0.00 O ATOM 386 CB ASN A 164 31.284 -12.450 -7.435 1.00 0.00 C ATOM 387 CG ASN A 164 31.091 -13.854 -8.001 1.00 0.00 C ATOM 388 OD1 ASN A 164 29.964 -14.311 -8.161 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.194 -14.542 -8.300 1.00 0.00 N ATOM 0 H ASN A 164 33.052 -12.295 -9.197 1.00 0.00 H new ATOM 0 HA ASN A 164 30.293 -11.383 -9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.228 -12.402 -6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.493 -12.234 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.119 -15.487 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.112 -14.123 -8.151 1.00 0.00 H new ATOM 396 N ARG A 165 32.033 -9.069 -8.780 1.00 0.00 N ATOM 397 CA ARG A 165 32.331 -7.719 -8.333 1.00 0.00 C ATOM 398 C ARG A 165 31.060 -6.879 -8.392 1.00 0.00 C ATOM 399 O ARG A 165 30.953 -5.955 -9.198 1.00 0.00 O ATOM 400 CB ARG A 165 33.432 -7.122 -9.217 1.00 0.00 C ATOM 401 CG ARG A 165 34.774 -7.785 -8.886 1.00 0.00 C ATOM 402 CD ARG A 165 35.818 -7.394 -9.936 1.00 0.00 C ATOM 403 NE ARG A 165 37.158 -7.847 -9.541 1.00 0.00 N ATOM 404 CZ ARG A 165 37.972 -7.148 -8.725 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.608 -5.944 -8.259 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.158 -7.664 -8.375 1.00 0.00 N ATOM 0 H ARG A 165 32.232 -9.236 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 165 32.689 -7.732 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.190 -7.274 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.497 -6.046 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.108 -7.477 -7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.658 -8.869 -8.861 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.552 -7.831 -10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.820 -6.312 -10.066 1.00 0.00 H new ATOM 0 HE ARG A 165 37.491 -8.740 -9.904 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.706 -5.547 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.233 -5.425 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.439 -8.580 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.780 -7.141 -7.758 1.00 0.00 H new ATOM 420 N TRP A 166 30.092 -7.204 -7.530 1.00 0.00 N ATOM 421 CA TRP A 166 28.831 -6.481 -7.480 1.00 0.00 C ATOM 422 C TRP A 166 29.086 -5.027 -7.097 1.00 0.00 C ATOM 423 O TRP A 166 28.353 -4.146 -7.513 1.00 0.00 O ATOM 424 CB TRP A 166 27.888 -7.143 -6.478 1.00 0.00 C ATOM 425 CG TRP A 166 27.983 -8.631 -6.420 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.421 -9.330 -5.369 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.656 -9.624 -7.439 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.399 -10.678 -5.626 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.931 -10.923 -6.903 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.159 -9.572 -8.762 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.724 -12.094 -7.633 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.950 -10.756 -9.504 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.236 -12.011 -8.940 1.00 0.00 C ATOM 0 H TRP A 166 30.164 -7.967 -6.857 1.00 0.00 H new ATOM 0 HA TRP A 166 28.362 -6.507 -8.463 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.094 -6.741 -5.486 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.863 -6.868 -6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.750 -8.891 -4.438 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.688 -11.399 -4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.936 -8.615 -9.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.939 -13.056 -7.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.568 -10.696 -10.512 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.079 -12.911 -9.516 1.00 0.00 H new ATOM 444 N ALA A 167 30.136 -4.776 -6.308 1.00 0.00 N ATOM 445 CA ALA A 167 30.487 -3.423 -5.901 1.00 0.00 C ATOM 446 C ALA A 167 30.752 -2.545 -7.131 1.00 0.00 C ATOM 447 O ALA A 167 30.711 -1.322 -7.031 1.00 0.00 O ATOM 448 CB ALA A 167 31.721 -3.473 -5.000 1.00 0.00 C ATOM 0 H ALA A 167 30.755 -5.498 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 167 29.656 -2.985 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.988 -2.462 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.503 -4.075 -4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.553 -3.918 -5.546 1.00 0.00 H new ATOM 454 N GLU A 168 31.020 -3.177 -8.287 1.00 0.00 N ATOM 455 CA GLU A 168 31.279 -2.468 -9.531 1.00 0.00 C ATOM 456 C GLU A 168 30.062 -2.586 -10.455 1.00 0.00 C ATOM 457 O GLU A 168 29.584 -1.586 -10.981 1.00 0.00 O ATOM 458 CB GLU A 168 32.525 -3.064 -10.196 1.00 0.00 C ATOM 459 CG GLU A 168 33.755 -2.826 -9.309 1.00 0.00 C ATOM 460 CD GLU A 168 34.919 -3.710 -9.738 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.076 -3.892 -10.963 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.630 -4.191 -8.828 1.00 0.00 O ATOM 0 H GLU A 168 31.061 -4.192 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 168 31.456 -1.411 -9.329 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.385 -4.133 -10.359 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.678 -2.609 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.050 -1.778 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.502 -3.031 -8.269 1.00 0.00 H new ATOM 469 N ILE A 169 29.566 -3.815 -10.651 1.00 0.00 N ATOM 470 CA ILE A 169 28.424 -4.067 -11.531 1.00 0.00 C ATOM 471 C ILE A 169 27.189 -3.303 -11.037 1.00 0.00 C ATOM 472 O ILE A 169 26.468 -2.707 -11.835 1.00 0.00 O ATOM 473 CB ILE A 169 28.147 -5.581 -11.586 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.358 -6.307 -12.199 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.901 -5.847 -12.443 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.287 -7.807 -11.896 1.00 0.00 C ATOM 0 H ILE A 169 29.943 -4.653 -10.208 1.00 0.00 H new ATOM 0 HA ILE A 169 28.656 -3.713 -12.536 1.00 0.00 H new ATOM 0 HB ILE A 169 27.977 -5.952 -10.575 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.379 -6.147 -13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.282 -5.891 -11.797 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.707 -6.919 -12.480 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.043 -5.338 -12.005 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.068 -5.473 -13.453 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.149 -8.308 -12.335 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.289 -7.961 -10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.372 -8.221 -12.320 1.00 0.00 H new ATOM 488 N ALA A 170 26.948 -3.325 -9.723 1.00 0.00 N ATOM 489 CA ALA A 170 25.800 -2.656 -9.122 1.00 0.00 C ATOM 490 C ALA A 170 25.812 -1.156 -9.441 1.00 0.00 C ATOM 491 O ALA A 170 24.758 -0.531 -9.482 1.00 0.00 O ATOM 492 CB ALA A 170 25.812 -2.891 -7.608 1.00 0.00 C ATOM 0 H ALA A 170 27.544 -3.807 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 170 24.885 -3.073 -9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.955 -2.392 -7.156 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.758 -3.961 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.732 -2.488 -7.184 1.00 0.00 H new ATOM 498 N LYS A 171 26.998 -0.575 -9.671 1.00 0.00 N ATOM 499 CA LYS A 171 27.103 0.844 -9.998 1.00 0.00 C ATOM 500 C LYS A 171 26.493 1.100 -11.378 1.00 0.00 C ATOM 501 O LYS A 171 25.944 2.172 -11.623 1.00 0.00 O ATOM 502 CB LYS A 171 28.572 1.291 -9.965 1.00 0.00 C ATOM 503 CG LYS A 171 29.217 0.944 -8.614 1.00 0.00 C ATOM 504 CD LYS A 171 28.584 1.778 -7.494 1.00 0.00 C ATOM 505 CE LYS A 171 29.340 1.535 -6.185 1.00 0.00 C ATOM 506 NZ LYS A 171 28.779 2.347 -5.091 1.00 0.00 N ATOM 0 H LYS A 171 27.891 -1.067 -9.636 1.00 0.00 H new ATOM 0 HA LYS A 171 26.554 1.424 -9.256 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.123 0.806 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.634 2.365 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.088 -0.118 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.290 1.133 -8.656 1.00 0.00 H new ATOM 0 HD2 LYS A 171 28.615 2.836 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 171 27.534 1.509 -7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.288 0.479 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.394 1.778 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 29.309 2.164 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 28.851 3.355 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 27.780 2.096 -4.950 1.00 0.00 H new ATOM 520 N LEU A 172 26.587 0.108 -12.277 1.00 0.00 N ATOM 521 CA LEU A 172 26.027 0.221 -13.617 1.00 0.00 C ATOM 522 C LEU A 172 24.504 0.093 -13.546 1.00 0.00 C ATOM 523 O LEU A 172 23.796 0.650 -14.384 1.00 0.00 O ATOM 524 CB LEU A 172 26.614 -0.870 -14.525 1.00 0.00 C ATOM 525 CG LEU A 172 28.152 -0.854 -14.480 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.694 -1.965 -15.382 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.683 0.499 -14.967 1.00 0.00 C ATOM 0 H LEU A 172 27.049 -0.782 -12.091 1.00 0.00 H new ATOM 0 HA LEU A 172 26.283 1.194 -14.036 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.247 -1.847 -14.210 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.275 -0.717 -15.550 1.00 0.00 H new ATOM 0 HG LEU A 172 28.480 -1.014 -13.453 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.784 -1.958 -15.353 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.328 -2.930 -15.031 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.357 -1.800 -16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.772 0.497 -14.930 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.355 0.671 -15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.300 1.293 -14.325 1.00 0.00 H new ATOM 539 N LEU A 173 24.008 -0.645 -12.538 1.00 0.00 N ATOM 540 CA LEU A 173 22.578 -0.849 -12.334 1.00 0.00 C ATOM 541 C LEU A 173 22.198 -0.394 -10.919 1.00 0.00 C ATOM 542 O LEU A 173 21.989 -1.232 -10.047 1.00 0.00 O ATOM 543 CB LEU A 173 22.251 -2.341 -12.520 1.00 0.00 C ATOM 544 CG LEU A 173 22.531 -2.788 -13.965 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.444 -4.315 -14.044 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.499 -2.175 -14.919 1.00 0.00 C ATOM 0 H LEU A 173 24.593 -1.113 -11.846 1.00 0.00 H new ATOM 0 HA LEU A 173 22.009 -0.266 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.847 -2.937 -11.829 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.204 -2.521 -12.276 1.00 0.00 H new ATOM 0 HG LEU A 173 23.527 -2.453 -14.255 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.642 -4.638 -15.066 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.182 -4.757 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.446 -4.638 -13.748 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.708 -2.499 -15.938 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.499 -2.502 -14.632 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.555 -1.088 -14.865 1.00 0.00 H new ATOM 558 N PRO A 174 22.107 0.934 -10.681 1.00 0.00 N ATOM 559 CA PRO A 174 21.788 1.478 -9.371 1.00 0.00 C ATOM 560 C PRO A 174 20.468 0.920 -8.830 1.00 0.00 C ATOM 561 O PRO A 174 20.319 0.750 -7.622 1.00 0.00 O ATOM 562 CB PRO A 174 21.716 2.998 -9.553 1.00 0.00 C ATOM 563 CG PRO A 174 22.075 3.293 -11.015 1.00 0.00 C ATOM 564 CD PRO A 174 22.324 1.946 -11.694 1.00 0.00 C ATOM 0 HA PRO A 174 22.546 1.200 -8.638 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.718 3.367 -9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.408 3.500 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.266 3.831 -11.510 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.961 3.925 -11.075 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.647 1.804 -12.536 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.339 1.891 -12.088 1.00 0.00 H new ATOM 572 N GLY A 175 19.512 0.637 -9.726 1.00 0.00 N ATOM 573 CA GLY A 175 18.213 0.106 -9.334 1.00 0.00 C ATOM 574 C GLY A 175 18.357 -1.249 -8.630 1.00 0.00 C ATOM 575 O GLY A 175 17.467 -1.651 -7.884 1.00 0.00 O ATOM 0 H GLY A 175 19.622 0.770 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.714 0.812 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.581 -0.005 -10.215 1.00 0.00 H new ATOM 579 N ARG A 176 19.477 -1.949 -8.874 1.00 0.00 N ATOM 580 CA ARG A 176 19.735 -3.251 -8.277 1.00 0.00 C ATOM 581 C ARG A 176 20.970 -3.153 -7.378 1.00 0.00 C ATOM 582 O ARG A 176 22.083 -2.986 -7.869 1.00 0.00 O ATOM 583 CB ARG A 176 19.955 -4.283 -9.391 1.00 0.00 C ATOM 584 CG ARG A 176 18.750 -4.316 -10.343 1.00 0.00 C ATOM 585 CD ARG A 176 17.509 -4.854 -9.612 1.00 0.00 C ATOM 586 NE ARG A 176 16.765 -5.805 -10.454 1.00 0.00 N ATOM 587 CZ ARG A 176 16.256 -5.489 -11.658 1.00 0.00 C ATOM 588 NH1 ARG A 176 16.290 -4.225 -12.093 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.718 -6.445 -12.425 1.00 0.00 N ATOM 0 H ARG A 176 20.221 -1.622 -9.490 1.00 0.00 H new ATOM 0 HA ARG A 176 18.884 -3.566 -7.673 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.859 -4.037 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.108 -5.270 -8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.551 -3.314 -10.724 1.00 0.00 H new ATOM 0 HG3 ARG A 176 18.975 -4.945 -11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.813 -5.344 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 176 16.859 -4.024 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 176 16.628 -6.754 -10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.703 -3.496 -11.511 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.903 -3.990 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.695 -7.410 -12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 176 15.331 -6.208 -13.339 1.00 0.00 H new ATOM 603 N THR A 177 20.771 -3.253 -6.060 1.00 0.00 N ATOM 604 CA THR A 177 21.868 -3.152 -5.107 1.00 0.00 C ATOM 605 C THR A 177 22.818 -4.340 -5.258 1.00 0.00 C ATOM 606 O THR A 177 22.463 -5.362 -5.848 1.00 0.00 O ATOM 607 CB THR A 177 21.308 -3.091 -3.680 1.00 0.00 C ATOM 608 OG1 THR A 177 20.568 -4.262 -3.410 1.00 0.00 O ATOM 609 CG2 THR A 177 20.401 -1.867 -3.527 1.00 0.00 C ATOM 0 H THR A 177 19.857 -3.404 -5.633 1.00 0.00 H new ATOM 0 HA THR A 177 22.430 -2.240 -5.307 1.00 0.00 H new ATOM 0 HB THR A 177 22.136 -3.014 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.213 -4.221 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.007 -1.831 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 177 20.975 -0.962 -3.726 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.574 -1.936 -4.234 1.00 0.00 H new ATOM 617 N ASP A 178 24.030 -4.198 -4.714 1.00 0.00 N ATOM 618 CA ASP A 178 25.040 -5.243 -4.764 1.00 0.00 C ATOM 619 C ASP A 178 24.485 -6.550 -4.201 1.00 0.00 C ATOM 620 O ASP A 178 24.648 -7.607 -4.808 1.00 0.00 O ATOM 621 CB ASP A 178 26.267 -4.787 -3.964 1.00 0.00 C ATOM 622 CG ASP A 178 25.860 -4.240 -2.598 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.496 -3.045 -2.553 1.00 0.00 O ATOM 624 OD2 ASP A 178 25.913 -5.028 -1.629 1.00 0.00 O ATOM 0 H ASP A 178 24.332 -3.354 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 178 25.329 -5.422 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.952 -5.625 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.804 -4.019 -4.521 1.00 0.00 H new ATOM 629 N ASN A 179 23.831 -6.477 -3.037 1.00 0.00 N ATOM 630 CA ASN A 179 23.280 -7.655 -2.388 1.00 0.00 C ATOM 631 C ASN A 179 22.113 -8.223 -3.193 1.00 0.00 C ATOM 632 O ASN A 179 21.951 -9.440 -3.255 1.00 0.00 O ATOM 633 CB ASN A 179 22.851 -7.306 -0.962 1.00 0.00 C ATOM 634 CG ASN A 179 23.934 -7.714 0.032 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.830 -8.761 0.669 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.978 -6.897 0.159 1.00 0.00 N ATOM 0 H ASN A 179 23.674 -5.607 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 179 24.049 -8.426 -2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.661 -6.236 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.917 -7.814 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 179 25.732 -7.130 0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 179 25.023 -6.038 -0.389 1.00 0.00 H new ATOM 643 N ALA A 180 21.301 -7.355 -3.813 1.00 0.00 N ATOM 644 CA ALA A 180 20.172 -7.809 -4.613 1.00 0.00 C ATOM 645 C ALA A 180 20.681 -8.651 -5.782 1.00 0.00 C ATOM 646 O ALA A 180 20.175 -9.747 -6.024 1.00 0.00 O ATOM 647 CB ALA A 180 19.373 -6.606 -5.117 1.00 0.00 C ATOM 0 H ALA A 180 21.410 -6.342 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 180 19.513 -8.424 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.530 -6.953 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 180 19.003 -6.033 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.015 -5.973 -5.729 1.00 0.00 H new ATOM 653 N ILE A 181 21.688 -8.140 -6.506 1.00 0.00 N ATOM 654 CA ILE A 181 22.258 -8.855 -7.639 1.00 0.00 C ATOM 655 C ILE A 181 22.936 -10.132 -7.147 1.00 0.00 C ATOM 656 O ILE A 181 22.744 -11.194 -7.727 1.00 0.00 O ATOM 657 CB ILE A 181 23.269 -7.967 -8.382 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.586 -6.684 -8.880 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.818 -8.745 -9.584 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.637 -5.609 -9.165 1.00 0.00 C ATOM 0 H ILE A 181 22.119 -7.234 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 181 21.459 -9.117 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 181 24.078 -7.695 -7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.014 -6.894 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.879 -6.324 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.537 -8.126 -10.120 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.310 -9.653 -9.236 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.998 -9.010 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.144 -4.703 -9.518 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.190 -5.389 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.327 -5.968 -9.929 1.00 0.00 H new ATOM 672 N LYS A 182 23.732 -10.020 -6.074 1.00 0.00 N ATOM 673 CA LYS A 182 24.438 -11.160 -5.505 1.00 0.00 C ATOM 674 C LYS A 182 23.458 -12.299 -5.231 1.00 0.00 C ATOM 675 O LYS A 182 23.687 -13.429 -5.658 1.00 0.00 O ATOM 676 CB LYS A 182 25.139 -10.720 -4.213 1.00 0.00 C ATOM 677 CG LYS A 182 25.756 -11.936 -3.506 1.00 0.00 C ATOM 678 CD LYS A 182 26.769 -11.483 -2.440 1.00 0.00 C ATOM 679 CE LYS A 182 26.150 -10.443 -1.493 1.00 0.00 C ATOM 680 NZ LYS A 182 24.890 -10.928 -0.896 1.00 0.00 N ATOM 0 H LYS A 182 23.899 -9.141 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 182 25.186 -11.522 -6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.916 -9.990 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.425 -10.229 -3.552 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.970 -12.531 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.250 -12.577 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.107 -12.346 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.648 -11.059 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.860 -10.205 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.961 -9.519 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 24.520 -10.213 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 24.193 -11.099 -1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.068 -11.814 -0.381 1.00 0.00 H new ATOM 694 N ASN A 183 22.370 -11.997 -4.513 1.00 0.00 N ATOM 695 CA ASN A 183 21.365 -12.992 -4.171 1.00 0.00 C ATOM 696 C ASN A 183 20.757 -13.586 -5.439 1.00 0.00 C ATOM 697 O ASN A 183 20.779 -14.800 -5.621 1.00 0.00 O ATOM 698 CB ASN A 183 20.282 -12.342 -3.306 1.00 0.00 C ATOM 699 CG ASN A 183 19.115 -13.299 -3.082 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.015 -13.064 -3.573 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.357 -14.380 -2.339 1.00 0.00 N ATOM 0 H ASN A 183 22.169 -11.062 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 183 21.831 -13.801 -3.608 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.706 -12.048 -2.346 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.924 -11.432 -3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 183 18.611 -15.052 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.288 -14.534 -1.951 1.00 0.00 H new ATOM 708 N HIS A 184 20.212 -12.723 -6.309 1.00 0.00 N ATOM 709 CA HIS A 184 19.579 -13.155 -7.551 1.00 0.00 C ATOM 710 C HIS A 184 20.489 -14.113 -8.317 1.00 0.00 C ATOM 711 O HIS A 184 20.065 -15.204 -8.700 1.00 0.00 O ATOM 712 CB HIS A 184 19.260 -11.923 -8.404 1.00 0.00 C ATOM 713 CG HIS A 184 19.056 -12.260 -9.858 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.130 -13.205 -10.291 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.652 -11.799 -11.004 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.221 -13.246 -11.636 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.134 -12.412 -12.133 1.00 0.00 N ATOM 0 H HIS A 184 20.200 -11.713 -6.167 1.00 0.00 H new ATOM 0 HA HIS A 184 18.656 -13.686 -7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.362 -11.441 -8.017 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.073 -11.203 -8.313 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.430 -11.050 -11.024 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.613 -13.892 -12.251 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.390 -12.261 -13.109 1.00 0.00 H new ATOM 725 N TRP A 185 21.736 -13.704 -8.549 1.00 0.00 N ATOM 726 CA TRP A 185 22.680 -14.516 -9.286 1.00 0.00 C ATOM 727 C TRP A 185 22.901 -15.846 -8.570 1.00 0.00 C ATOM 728 O TRP A 185 22.781 -16.896 -9.182 1.00 0.00 O ATOM 729 CB TRP A 185 23.996 -13.755 -9.450 1.00 0.00 C ATOM 730 CG TRP A 185 25.001 -14.454 -10.311 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.838 -15.418 -9.905 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.287 -14.272 -11.730 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.626 -15.860 -10.937 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.329 -15.182 -12.101 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.779 -13.436 -12.749 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.831 -15.257 -13.400 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.283 -13.511 -14.064 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.305 -14.421 -14.387 1.00 0.00 C ATOM 0 H TRP A 185 22.109 -12.809 -8.232 1.00 0.00 H new ATOM 0 HA TRP A 185 22.279 -14.729 -10.277 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.786 -12.775 -9.878 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.431 -13.586 -8.465 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.886 -15.798 -8.895 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.334 -16.590 -10.855 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.995 -12.730 -12.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.619 -15.955 -13.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.881 -12.864 -14.829 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.683 -14.473 -15.397 1.00 0.00 H new ATOM 749 N ASN A 186 23.226 -15.803 -7.272 1.00 0.00 N ATOM 750 CA ASN A 186 23.492 -17.016 -6.503 1.00 0.00 C ATOM 751 C ASN A 186 22.181 -17.688 -6.075 1.00 0.00 C ATOM 752 O ASN A 186 21.992 -17.992 -4.898 1.00 0.00 O ATOM 753 CB ASN A 186 24.358 -16.671 -5.285 1.00 0.00 C ATOM 754 CG ASN A 186 25.778 -16.312 -5.712 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.667 -17.159 -5.687 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.992 -15.057 -6.105 1.00 0.00 N ATOM 0 H ASN A 186 23.310 -14.939 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 186 24.034 -17.724 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.915 -15.836 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.383 -17.518 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.924 -14.767 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.224 -14.386 -6.110 1.00 0.00 H new ATOM 763 N SER A 187 21.286 -17.930 -7.040 1.00 0.00 N ATOM 764 CA SER A 187 20.020 -18.605 -6.788 1.00 0.00 C ATOM 765 C SER A 187 19.350 -18.924 -8.123 1.00 0.00 C ATOM 766 O SER A 187 19.120 -20.089 -8.441 1.00 0.00 O ATOM 767 CB SER A 187 19.108 -17.735 -5.908 1.00 0.00 C ATOM 768 OG SER A 187 18.861 -16.496 -6.536 1.00 0.00 O ATOM 0 H SER A 187 21.424 -17.661 -8.014 1.00 0.00 H new ATOM 0 HA SER A 187 20.205 -19.535 -6.250 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.166 -18.252 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.576 -17.572 -4.937 1.00 0.00 H new ATOM 0 HG SER A 187 19.487 -15.825 -6.192 1.00 0.00 H new ATOM 774 N THR A 188 19.041 -17.882 -8.902 1.00 0.00 N ATOM 775 CA THR A 188 18.395 -18.039 -10.194 1.00 0.00 C ATOM 776 C THR A 188 19.425 -18.433 -11.253 1.00 0.00 C ATOM 777 O THR A 188 19.225 -19.404 -11.980 1.00 0.00 O ATOM 778 CB THR A 188 17.705 -16.721 -10.575 1.00 0.00 C ATOM 779 OG1 THR A 188 17.000 -16.212 -9.462 1.00 0.00 O ATOM 780 CG2 THR A 188 16.727 -16.961 -11.727 1.00 0.00 C ATOM 0 H THR A 188 19.234 -16.913 -8.649 1.00 0.00 H new ATOM 0 HA THR A 188 17.648 -18.830 -10.136 1.00 0.00 H new ATOM 0 HB THR A 188 18.462 -16.001 -10.886 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.135 -15.243 -9.405 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.241 -16.022 -11.993 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.269 -17.346 -12.591 1.00 0.00 H new ATOM 0 HG23 THR A 188 15.973 -17.686 -11.419 1.00 0.00 H new ATOM 788 N MET A 189 20.523 -17.666 -11.341 1.00 0.00 N ATOM 789 CA MET A 189 21.568 -17.899 -12.334 1.00 0.00 C ATOM 790 C MET A 189 22.866 -18.305 -11.638 1.00 0.00 C ATOM 791 O MET A 189 23.925 -17.743 -11.917 1.00 0.00 O ATOM 792 CB MET A 189 21.773 -16.613 -13.144 1.00 0.00 C ATOM 793 CG MET A 189 20.556 -16.345 -14.035 1.00 0.00 C ATOM 794 SD MET A 189 20.411 -14.621 -14.577 1.00 0.00 S ATOM 795 CE MET A 189 22.131 -14.321 -15.053 1.00 0.00 C ATOM 0 H MET A 189 20.705 -16.872 -10.727 1.00 0.00 H new ATOM 0 HA MET A 189 21.273 -18.707 -13.004 1.00 0.00 H new ATOM 0 HB2 MET A 189 21.930 -15.772 -12.469 1.00 0.00 H new ATOM 0 HB3 MET A 189 22.669 -16.701 -13.758 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.611 -16.989 -14.913 1.00 0.00 H new ATOM 0 HG3 MET A 189 19.652 -16.623 -13.493 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.228 -13.310 -15.449 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.775 -14.432 -14.180 1.00 0.00 H new ATOM 0 HE3 MET A 189 22.428 -15.040 -15.817 1.00 0.00 H new ATOM 805 N ARG A 190 22.785 -19.283 -10.728 1.00 0.00 N ATOM 806 CA ARG A 190 23.953 -19.740 -9.993 1.00 0.00 C ATOM 807 C ARG A 190 24.971 -20.334 -10.964 1.00 0.00 C ATOM 808 O ARG A 190 26.151 -19.992 -10.914 1.00 0.00 O ATOM 809 CB ARG A 190 23.524 -20.762 -8.937 1.00 0.00 C ATOM 810 CG ARG A 190 24.676 -21.003 -7.957 1.00 0.00 C ATOM 811 CD ARG A 190 24.170 -21.808 -6.759 1.00 0.00 C ATOM 812 NE ARG A 190 25.234 -21.985 -5.764 1.00 0.00 N ATOM 813 CZ ARG A 190 25.036 -22.584 -4.576 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.825 -23.059 -4.255 1.00 0.00 N ATOM 815 NH2 ARG A 190 26.053 -22.706 -3.713 1.00 0.00 N ATOM 0 H ARG A 190 21.920 -19.768 -10.489 1.00 0.00 H new ATOM 0 HA ARG A 190 24.425 -18.901 -9.482 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.647 -20.400 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.240 -21.698 -9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.483 -21.540 -8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.086 -20.051 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.322 -21.297 -6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.813 -22.782 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 190 26.168 -21.638 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.050 -22.967 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.678 -23.513 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.975 -22.345 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.905 -23.160 -2.812 1.00 0.00 H new