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 179 ASN : amide:sc= 0.969 K(o=1.7,f=-7.5!) USER MOD Set 1.2: A 182 LYS NZ :NH3+ -176:sc= 0.748 (180deg=-0.328) USER MOD Set 2.1: A 159 HIS : no HD1:sc= 0.308 K(o=0.93,f=-5!) USER MOD Set 2.2: A 164 ASN :FLIP amide:sc= 0.618 F(o=-0.89,f=0.93) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0.243 K(o=0.24,f=-6.4!) USER MOD Single : A 160 LYS NZ :NH3+ -136:sc= -0.152 (180deg=-0.57) USER MOD Single : A 171 LYS NZ :NH3+ -174:sc= 1.07 (180deg=0.963) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.65) USER MOD Single : A 186 ASN : amide:sc= -0.0123 K(o=-0.012,f=-0.73) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -173:sc= -0.856 (180deg=-0.931) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 12.943 -10.645 -13.007 1.00 0.00 N ATOM 89 CA TRP A 147 14.064 -10.217 -13.849 1.00 0.00 C ATOM 90 C TRP A 147 13.690 -10.274 -15.336 1.00 0.00 C ATOM 91 O TRP A 147 12.656 -10.827 -15.710 1.00 0.00 O ATOM 92 CB TRP A 147 15.313 -11.065 -13.553 1.00 0.00 C ATOM 93 CG TRP A 147 16.068 -10.640 -12.335 1.00 0.00 C ATOM 94 CD1 TRP A 147 15.874 -11.098 -11.086 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.147 -9.666 -12.225 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.741 -10.498 -10.203 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.558 -9.596 -10.857 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.825 -8.830 -13.140 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.583 -8.752 -10.426 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.858 -7.976 -12.709 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.236 -7.939 -11.356 1.00 0.00 C ATOM 0 HA TRP A 147 14.296 -9.179 -13.610 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.012 -12.106 -13.435 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.980 -11.022 -14.414 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.136 -11.838 -10.813 1.00 0.00 H new ATOM 0 HE1 TRP A 147 16.776 -10.692 -9.202 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.547 -8.846 -14.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.868 -8.728 -9.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.364 -7.344 -13.424 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.031 -7.282 -11.035 1.00 0.00 H new ATOM 112 N THR A 148 14.547 -9.681 -16.180 1.00 0.00 N ATOM 113 CA THR A 148 14.326 -9.625 -17.619 1.00 0.00 C ATOM 114 C THR A 148 15.641 -9.886 -18.348 1.00 0.00 C ATOM 115 O THR A 148 16.699 -9.465 -17.883 1.00 0.00 O ATOM 116 CB THR A 148 13.773 -8.244 -17.996 1.00 0.00 C ATOM 117 OG1 THR A 148 14.549 -7.238 -17.378 1.00 0.00 O ATOM 118 CG2 THR A 148 12.320 -8.118 -17.533 1.00 0.00 C ATOM 0 H THR A 148 15.410 -9.229 -15.877 1.00 0.00 H new ATOM 0 HA THR A 148 13.604 -10.388 -17.911 1.00 0.00 H new ATOM 0 HB THR A 148 13.817 -8.128 -19.079 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.196 -6.357 -17.621 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.936 -7.135 -17.805 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.717 -8.889 -18.013 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.271 -8.240 -16.451 1.00 0.00 H new ATOM 126 N GLU A 149 15.561 -10.582 -19.492 1.00 0.00 N ATOM 127 CA GLU A 149 16.726 -10.923 -20.304 1.00 0.00 C ATOM 128 C GLU A 149 17.629 -9.704 -20.499 1.00 0.00 C ATOM 129 O GLU A 149 18.843 -9.812 -20.375 1.00 0.00 O ATOM 130 CB GLU A 149 16.255 -11.451 -21.668 1.00 0.00 C ATOM 131 CG GLU A 149 15.936 -12.952 -21.585 1.00 0.00 C ATOM 132 CD GLU A 149 14.809 -13.240 -20.599 1.00 0.00 C ATOM 133 OE1 GLU A 149 13.869 -12.416 -20.543 1.00 0.00 O ATOM 134 OE2 GLU A 149 14.911 -14.280 -19.912 1.00 0.00 O ATOM 0 H GLU A 149 14.680 -10.923 -19.877 1.00 0.00 H new ATOM 0 HA GLU A 149 17.302 -11.692 -19.790 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.370 -10.903 -21.991 1.00 0.00 H new ATOM 0 HB3 GLU A 149 17.027 -11.279 -22.417 1.00 0.00 H new ATOM 0 HG2 GLU A 149 15.657 -13.319 -22.573 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.830 -13.497 -21.283 1.00 0.00 H new ATOM 141 N GLU A 150 17.031 -8.548 -20.810 1.00 0.00 N ATOM 142 CA GLU A 150 17.780 -7.321 -21.042 1.00 0.00 C ATOM 143 C GLU A 150 18.739 -7.049 -19.878 1.00 0.00 C ATOM 144 O GLU A 150 19.946 -6.942 -20.081 1.00 0.00 O ATOM 145 CB GLU A 150 16.791 -6.164 -21.223 1.00 0.00 C ATOM 146 CG GLU A 150 17.546 -4.880 -21.580 1.00 0.00 C ATOM 147 CD GLU A 150 16.574 -3.757 -21.924 1.00 0.00 C ATOM 148 OE1 GLU A 150 15.590 -3.605 -21.167 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.833 -3.072 -22.936 1.00 0.00 O ATOM 0 H GLU A 150 16.021 -8.443 -20.906 1.00 0.00 H new ATOM 0 HA GLU A 150 18.382 -7.422 -21.945 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.076 -6.406 -22.009 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.219 -6.017 -20.307 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.175 -4.578 -20.743 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.208 -5.066 -22.426 1.00 0.00 H new ATOM 156 N GLU A 151 18.195 -6.936 -18.663 1.00 0.00 N ATOM 157 CA GLU A 151 18.989 -6.651 -17.475 1.00 0.00 C ATOM 158 C GLU A 151 19.978 -7.790 -17.203 1.00 0.00 C ATOM 159 O GLU A 151 21.146 -7.539 -16.901 1.00 0.00 O ATOM 160 CB GLU A 151 18.049 -6.459 -16.278 1.00 0.00 C ATOM 161 CG GLU A 151 17.184 -5.203 -16.475 1.00 0.00 C ATOM 162 CD GLU A 151 17.802 -3.993 -15.781 1.00 0.00 C ATOM 163 OE1 GLU A 151 18.959 -3.670 -16.120 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.100 -3.417 -14.916 1.00 0.00 O ATOM 0 H GLU A 151 17.197 -7.040 -18.481 1.00 0.00 H new ATOM 0 HA GLU A 151 19.564 -5.739 -17.635 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.410 -7.335 -16.165 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.631 -6.368 -15.361 1.00 0.00 H new ATOM 0 HG2 GLU A 151 17.074 -4.998 -17.540 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.184 -5.381 -16.079 1.00 0.00 H new ATOM 171 N ASP A 152 19.507 -9.039 -17.303 1.00 0.00 N ATOM 172 CA ASP A 152 20.339 -10.210 -17.044 1.00 0.00 C ATOM 173 C ASP A 152 21.576 -10.208 -17.944 1.00 0.00 C ATOM 174 O ASP A 152 22.663 -10.562 -17.495 1.00 0.00 O ATOM 175 CB ASP A 152 19.516 -11.485 -17.272 1.00 0.00 C ATOM 176 CG ASP A 152 18.364 -11.596 -16.275 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.546 -11.121 -15.136 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.320 -12.160 -16.673 1.00 0.00 O ATOM 0 H ASP A 152 18.546 -9.261 -17.564 1.00 0.00 H new ATOM 0 HA ASP A 152 20.676 -10.179 -16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.120 -11.487 -18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.163 -12.358 -17.180 1.00 0.00 H new ATOM 183 N ARG A 153 21.412 -9.816 -19.213 1.00 0.00 N ATOM 184 CA ARG A 153 22.516 -9.794 -20.167 1.00 0.00 C ATOM 185 C ARG A 153 23.620 -8.848 -19.689 1.00 0.00 C ATOM 186 O ARG A 153 24.802 -9.161 -19.834 1.00 0.00 O ATOM 187 CB ARG A 153 21.996 -9.369 -21.545 1.00 0.00 C ATOM 188 CG ARG A 153 21.186 -10.510 -22.172 1.00 0.00 C ATOM 189 CD ARG A 153 22.115 -11.441 -22.958 1.00 0.00 C ATOM 190 NE ARG A 153 21.400 -12.649 -23.396 1.00 0.00 N ATOM 191 CZ ARG A 153 20.520 -12.660 -24.414 1.00 0.00 C ATOM 192 NH1 ARG A 153 20.281 -11.544 -25.117 1.00 0.00 N ATOM 193 NH2 ARG A 153 19.879 -13.794 -24.727 1.00 0.00 N ATOM 0 H ARG A 153 20.519 -9.509 -19.600 1.00 0.00 H new ATOM 0 HA ARG A 153 22.942 -10.795 -20.243 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.374 -8.479 -21.450 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.832 -9.106 -22.193 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.669 -11.071 -21.393 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.421 -10.103 -22.833 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.514 -10.915 -23.825 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.965 -11.722 -22.337 1.00 0.00 H new ATOM 0 HE ARG A 153 21.580 -13.523 -22.903 1.00 0.00 H new ATOM 0 HH11 ARG A 153 20.768 -10.679 -24.882 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.613 -11.560 -25.887 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.059 -14.645 -24.194 1.00 0.00 H new ATOM 0 HH22 ARG A 153 19.211 -13.806 -25.498 1.00 0.00 H new ATOM 207 N ILE A 154 23.244 -7.694 -19.122 1.00 0.00 N ATOM 208 CA ILE A 154 24.222 -6.729 -18.634 1.00 0.00 C ATOM 209 C ILE A 154 25.067 -7.374 -17.538 1.00 0.00 C ATOM 210 O ILE A 154 26.295 -7.310 -17.584 1.00 0.00 O ATOM 211 CB ILE A 154 23.511 -5.471 -18.098 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.599 -4.851 -19.177 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.559 -4.442 -17.650 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.356 -4.643 -20.494 1.00 0.00 C ATOM 0 H ILE A 154 22.272 -7.412 -18.993 1.00 0.00 H new ATOM 0 HA ILE A 154 24.872 -6.428 -19.455 1.00 0.00 H new ATOM 0 HB ILE A 154 22.890 -5.758 -17.249 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.740 -5.500 -19.347 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.211 -3.896 -18.823 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.056 -3.552 -17.271 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.178 -4.872 -16.863 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.188 -4.170 -18.498 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.686 -4.205 -21.234 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.200 -3.973 -20.327 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.721 -5.603 -20.859 1.00 0.00 H new ATOM 226 N ILE A 155 24.408 -7.995 -16.553 1.00 0.00 N ATOM 227 CA ILE A 155 25.103 -8.640 -15.446 1.00 0.00 C ATOM 228 C ILE A 155 25.936 -9.809 -15.966 1.00 0.00 C ATOM 229 O ILE A 155 27.036 -10.032 -15.487 1.00 0.00 O ATOM 230 CB ILE A 155 24.082 -9.110 -14.397 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.376 -7.888 -13.794 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.798 -9.884 -13.276 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.005 -8.291 -13.265 1.00 0.00 C ATOM 0 H ILE A 155 23.391 -8.062 -16.505 1.00 0.00 H new ATOM 0 HA ILE A 155 25.778 -7.927 -14.972 1.00 0.00 H new ATOM 0 HB ILE A 155 23.352 -9.763 -14.876 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.978 -7.470 -12.987 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.270 -7.109 -14.549 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.067 -10.213 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.303 -10.752 -13.699 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.531 -9.235 -12.797 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.509 -7.419 -12.838 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.402 -8.688 -14.082 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.122 -9.055 -12.496 1.00 0.00 H new ATOM 245 N TYR A 156 25.411 -10.556 -16.944 1.00 0.00 N ATOM 246 CA TYR A 156 26.122 -11.696 -17.504 1.00 0.00 C ATOM 247 C TYR A 156 27.456 -11.246 -18.093 1.00 0.00 C ATOM 248 O TYR A 156 28.501 -11.807 -17.761 1.00 0.00 O ATOM 249 CB TYR A 156 25.255 -12.375 -18.567 1.00 0.00 C ATOM 250 CG TYR A 156 25.890 -13.626 -19.138 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.876 -14.820 -18.396 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.501 -13.593 -20.404 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.476 -15.979 -18.916 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.098 -14.754 -20.925 1.00 0.00 C ATOM 255 CZ TYR A 156 27.087 -15.946 -20.180 1.00 0.00 C ATOM 256 OH TYR A 156 27.674 -17.072 -20.682 1.00 0.00 O ATOM 0 H TYR A 156 24.495 -10.386 -17.360 1.00 0.00 H new ATOM 0 HA TYR A 156 26.328 -12.417 -16.713 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.289 -12.631 -18.131 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.063 -11.670 -19.376 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.403 -14.846 -17.425 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.512 -12.677 -20.975 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.467 -16.895 -18.344 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.565 -14.730 -21.898 1.00 0.00 H new ATOM 0 HH TYR A 156 28.049 -16.879 -21.567 1.00 0.00 H new ATOM 266 N GLN A 157 27.423 -10.235 -18.967 1.00 0.00 N ATOM 267 CA GLN A 157 28.631 -9.725 -19.593 1.00 0.00 C ATOM 268 C GLN A 157 29.561 -9.134 -18.534 1.00 0.00 C ATOM 269 O GLN A 157 30.726 -9.510 -18.455 1.00 0.00 O ATOM 270 CB GLN A 157 28.260 -8.666 -20.638 1.00 0.00 C ATOM 271 CG GLN A 157 29.535 -7.974 -21.142 1.00 0.00 C ATOM 272 CD GLN A 157 29.283 -7.196 -22.429 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.116 -7.213 -23.335 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.141 -6.513 -22.511 1.00 0.00 N ATOM 0 H GLN A 157 26.568 -9.758 -19.253 1.00 0.00 H new ATOM 0 HA GLN A 157 29.154 -10.542 -20.090 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.733 -9.131 -21.471 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.583 -7.931 -20.202 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.909 -7.296 -20.374 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.311 -8.720 -21.314 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.480 -6.529 -21.734 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.928 -5.975 -23.351 1.00 0.00 H new ATOM 283 N ALA A 158 29.045 -8.201 -17.731 1.00 0.00 N ATOM 284 CA ALA A 158 29.837 -7.526 -16.713 1.00 0.00 C ATOM 285 C ALA A 158 30.481 -8.535 -15.756 1.00 0.00 C ATOM 286 O ALA A 158 31.634 -8.367 -15.370 1.00 0.00 O ATOM 287 CB ALA A 158 28.940 -6.553 -15.949 1.00 0.00 C ATOM 0 H ALA A 158 28.072 -7.897 -17.771 1.00 0.00 H new ATOM 0 HA ALA A 158 30.644 -6.975 -17.196 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.525 -6.043 -15.184 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.528 -5.818 -16.641 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.126 -7.103 -15.476 1.00 0.00 H new ATOM 293 N HIS A 159 29.737 -9.576 -15.372 1.00 0.00 N ATOM 294 CA HIS A 159 30.234 -10.575 -14.439 1.00 0.00 C ATOM 295 C HIS A 159 31.316 -11.432 -15.086 1.00 0.00 C ATOM 296 O HIS A 159 32.399 -11.566 -14.536 1.00 0.00 O ATOM 297 CB HIS A 159 29.083 -11.457 -13.951 1.00 0.00 C ATOM 298 CG HIS A 159 29.558 -12.522 -13.000 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.113 -13.720 -13.433 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.597 -12.590 -11.632 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.442 -14.416 -12.328 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.151 -13.782 -11.194 1.00 0.00 N ATOM 0 H HIS A 159 28.785 -9.744 -15.698 1.00 0.00 H new ATOM 0 HA HIS A 159 30.673 -10.059 -13.585 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.334 -10.837 -13.458 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.596 -11.925 -14.807 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.240 -11.810 -10.976 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.898 -15.394 -12.359 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.300 -14.097 -10.235 1.00 0.00 H new ATOM 310 N LYS A 160 31.030 -12.029 -16.246 1.00 0.00 N ATOM 311 CA LYS A 160 31.998 -12.900 -16.899 1.00 0.00 C ATOM 312 C LYS A 160 33.238 -12.101 -17.330 1.00 0.00 C ATOM 313 O LYS A 160 34.296 -12.683 -17.557 1.00 0.00 O ATOM 314 CB LYS A 160 31.334 -13.629 -18.079 1.00 0.00 C ATOM 315 CG LYS A 160 31.482 -12.822 -19.377 1.00 0.00 C ATOM 316 CD LYS A 160 30.515 -13.352 -20.449 1.00 0.00 C ATOM 317 CE LYS A 160 30.578 -14.885 -20.537 1.00 0.00 C ATOM 318 NZ LYS A 160 31.958 -15.369 -20.729 1.00 0.00 N ATOM 0 H LYS A 160 30.146 -11.924 -16.744 1.00 0.00 H new ATOM 0 HA LYS A 160 32.339 -13.658 -16.193 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.786 -14.613 -18.204 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.277 -13.789 -17.864 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.279 -11.769 -19.183 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.508 -12.888 -19.739 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.498 -13.039 -20.213 1.00 0.00 H new ATOM 0 HD3 LYS A 160 30.766 -12.918 -21.417 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.165 -15.318 -19.626 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.955 -15.227 -21.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.967 -16.113 -21.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.563 -14.580 -21.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.318 -15.756 -19.833 1.00 0.00 H new ATOM 332 N ARG A 161 33.103 -10.770 -17.436 1.00 0.00 N ATOM 333 CA ARG A 161 34.209 -9.903 -17.808 1.00 0.00 C ATOM 334 C ARG A 161 35.044 -9.566 -16.567 1.00 0.00 C ATOM 335 O ARG A 161 36.270 -9.640 -16.609 1.00 0.00 O ATOM 336 CB ARG A 161 33.644 -8.626 -18.449 1.00 0.00 C ATOM 337 CG ARG A 161 34.773 -7.751 -19.020 1.00 0.00 C ATOM 338 CD ARG A 161 35.379 -8.389 -20.283 1.00 0.00 C ATOM 339 NE ARG A 161 34.340 -8.797 -21.245 1.00 0.00 N ATOM 340 CZ ARG A 161 33.602 -7.925 -21.961 1.00 0.00 C ATOM 341 NH1 ARG A 161 33.834 -6.608 -21.875 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.630 -8.380 -22.764 1.00 0.00 N ATOM 0 H ARG A 161 32.227 -10.277 -17.266 1.00 0.00 H new ATOM 0 HA ARG A 161 34.856 -10.407 -18.526 1.00 0.00 H new ATOM 0 HB2 ARG A 161 32.947 -8.891 -19.244 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.081 -8.061 -17.707 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.385 -6.761 -19.259 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.550 -7.616 -18.267 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.056 -7.680 -20.759 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.974 -9.258 -20.001 1.00 0.00 H new ATOM 0 HE ARG A 161 34.170 -9.794 -21.376 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.573 -6.259 -21.265 1.00 0.00 H new ATOM 0 HH12 ARG A 161 33.271 -5.954 -22.420 1.00 0.00 H new ATOM 0 HH21 ARG A 161 32.451 -9.382 -22.831 1.00 0.00 H new ATOM 0 HH22 ARG A 161 32.069 -7.724 -23.308 1.00 0.00 H new ATOM 356 N LEU A 162 34.371 -9.188 -15.467 1.00 0.00 N ATOM 357 CA LEU A 162 35.043 -8.806 -14.228 1.00 0.00 C ATOM 358 C LEU A 162 35.083 -9.990 -13.255 1.00 0.00 C ATOM 359 O LEU A 162 36.150 -10.546 -13.002 1.00 0.00 O ATOM 360 CB LEU A 162 34.307 -7.610 -13.600 1.00 0.00 C ATOM 361 CG LEU A 162 34.290 -6.412 -14.566 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.408 -5.307 -13.981 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.710 -5.873 -14.767 1.00 0.00 C ATOM 0 H LEU A 162 33.353 -9.141 -15.418 1.00 0.00 H new ATOM 0 HA LEU A 162 36.071 -8.517 -14.447 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.285 -7.896 -13.350 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.795 -7.325 -12.668 1.00 0.00 H new ATOM 0 HG LEU A 162 33.894 -6.736 -15.529 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.392 -4.456 -14.661 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.394 -5.683 -13.847 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.809 -4.994 -13.017 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.684 -5.026 -15.452 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.116 -5.552 -13.808 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.341 -6.658 -15.184 1.00 0.00 H new ATOM 375 N GLY A 163 33.919 -10.367 -12.708 1.00 0.00 N ATOM 376 CA GLY A 163 33.814 -11.471 -11.762 1.00 0.00 C ATOM 377 C GLY A 163 32.717 -11.179 -10.745 1.00 0.00 C ATOM 378 O GLY A 163 31.714 -10.553 -11.077 1.00 0.00 O ATOM 0 H GLY A 163 33.029 -9.912 -12.913 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.593 -12.397 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.766 -11.616 -11.252 1.00 0.00 H new ATOM 382 N ASN A 164 32.913 -11.630 -9.497 1.00 0.00 N ATOM 383 CA ASN A 164 31.935 -11.427 -8.428 1.00 0.00 C ATOM 384 C ASN A 164 32.079 -10.026 -7.821 1.00 0.00 C ATOM 385 O ASN A 164 31.841 -9.843 -6.627 1.00 0.00 O ATOM 386 CB ASN A 164 32.143 -12.495 -7.346 1.00 0.00 C ATOM 387 CG ASN A 164 32.096 -13.898 -7.938 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.923 -14.312 -8.407 1.00 0.00 O flip ATOM 389 ND2 ASN A 164 33.106 -14.595 -7.970 1.00 0.00 N flip ATOM 0 H ASN A 164 33.747 -12.140 -9.206 1.00 0.00 H new ATOM 0 HA ASN A 164 30.931 -11.515 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 164 33.103 -12.337 -6.855 1.00 0.00 H new ATOM 0 HB3 ASN A 164 31.374 -12.395 -6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.985 -14.236 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.066 -15.533 -8.368 1.00 0.00 H new ATOM 396 N ARG A 165 32.467 -9.039 -8.637 1.00 0.00 N ATOM 397 CA ARG A 165 32.645 -7.675 -8.169 1.00 0.00 C ATOM 398 C ARG A 165 31.302 -6.949 -8.196 1.00 0.00 C ATOM 399 O ARG A 165 31.115 -6.006 -8.962 1.00 0.00 O ATOM 400 CB ARG A 165 33.678 -6.968 -9.055 1.00 0.00 C ATOM 401 CG ARG A 165 35.079 -7.502 -8.737 1.00 0.00 C ATOM 402 CD ARG A 165 36.071 -7.016 -9.796 1.00 0.00 C ATOM 403 NE ARG A 165 37.449 -7.376 -9.433 1.00 0.00 N ATOM 404 CZ ARG A 165 38.211 -6.651 -8.590 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.741 -5.523 -8.040 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.451 -7.064 -8.299 1.00 0.00 N ATOM 0 H ARG A 165 32.663 -9.169 -9.630 1.00 0.00 H new ATOM 0 HA ARG A 165 33.012 -7.672 -7.143 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.445 -7.134 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.641 -5.892 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.392 -7.163 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.066 -8.592 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.820 -7.453 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.991 -5.934 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 165 37.850 -8.220 -9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.797 -5.204 -8.258 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.327 -4.983 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.813 -7.922 -8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 165 40.033 -6.520 -7.662 1.00 0.00 H new ATOM 420 N TRP A 166 30.364 -7.394 -7.351 1.00 0.00 N ATOM 421 CA TRP A 166 29.039 -6.790 -7.273 1.00 0.00 C ATOM 422 C TRP A 166 29.160 -5.320 -6.875 1.00 0.00 C ATOM 423 O TRP A 166 28.366 -4.493 -7.312 1.00 0.00 O ATOM 424 CB TRP A 166 28.186 -7.550 -6.256 1.00 0.00 C ATOM 425 CG TRP A 166 28.289 -9.039 -6.340 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.831 -9.830 -5.404 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.855 -9.940 -7.405 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.778 -11.149 -5.780 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.179 -11.281 -7.019 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.220 -9.772 -8.659 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.891 -12.384 -7.827 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.929 -10.885 -9.478 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.265 -12.186 -9.061 1.00 0.00 C ATOM 0 H TRP A 166 30.505 -8.175 -6.710 1.00 0.00 H new ATOM 0 HA TRP A 166 28.557 -6.847 -8.249 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.475 -7.236 -5.253 1.00 0.00 H new ATOM 0 HB3 TRP A 166 27.143 -7.264 -6.391 1.00 0.00 H new ATOM 0 HD1 TRP A 166 29.254 -9.476 -4.475 1.00 0.00 H new ATOM 0 HE1 TRP A 166 29.132 -11.926 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.955 -8.780 -8.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.150 -13.381 -7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.445 -10.736 -10.432 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.039 -13.031 -9.694 1.00 0.00 H new ATOM 444 N ALA A 167 30.163 -4.999 -6.047 1.00 0.00 N ATOM 445 CA ALA A 167 30.397 -3.634 -5.592 1.00 0.00 C ATOM 446 C ALA A 167 30.635 -2.694 -6.782 1.00 0.00 C ATOM 447 O ALA A 167 30.519 -1.481 -6.633 1.00 0.00 O ATOM 448 CB ALA A 167 31.603 -3.622 -4.653 1.00 0.00 C ATOM 0 H ALA A 167 30.828 -5.679 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 167 29.515 -3.278 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.785 -2.604 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.403 -4.266 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.482 -3.988 -5.185 1.00 0.00 H new ATOM 454 N GLU A 168 30.967 -3.258 -7.955 1.00 0.00 N ATOM 455 CA GLU A 168 31.213 -2.478 -9.161 1.00 0.00 C ATOM 456 C GLU A 168 30.067 -2.692 -10.151 1.00 0.00 C ATOM 457 O GLU A 168 29.464 -1.733 -10.628 1.00 0.00 O ATOM 458 CB GLU A 168 32.547 -2.918 -9.777 1.00 0.00 C ATOM 459 CG GLU A 168 33.699 -2.601 -8.815 1.00 0.00 C ATOM 460 CD GLU A 168 34.958 -3.365 -9.205 1.00 0.00 C ATOM 461 OE1 GLU A 168 35.334 -3.275 -10.392 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.519 -4.030 -8.307 1.00 0.00 O ATOM 0 H GLU A 168 31.070 -4.264 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 168 31.266 -1.417 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.524 -3.987 -9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.704 -2.407 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.901 -1.530 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.411 -2.863 -7.797 1.00 0.00 H new ATOM 469 N ILE A 169 29.774 -3.961 -10.456 1.00 0.00 N ATOM 470 CA ILE A 169 28.727 -4.324 -11.404 1.00 0.00 C ATOM 471 C ILE A 169 27.382 -3.737 -10.969 1.00 0.00 C ATOM 472 O ILE A 169 26.697 -3.095 -11.764 1.00 0.00 O ATOM 473 CB ILE A 169 28.646 -5.857 -11.501 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.966 -6.411 -12.065 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.484 -6.255 -12.423 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.091 -7.902 -11.746 1.00 0.00 C ATOM 0 H ILE A 169 30.259 -4.761 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 169 28.967 -3.914 -12.385 1.00 0.00 H new ATOM 0 HB ILE A 169 28.477 -6.272 -10.507 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.002 -6.258 -13.144 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.809 -5.868 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.429 -7.342 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.549 -5.868 -12.018 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.649 -5.838 -13.417 1.00 0.00 H new ATOM 0 HD11 ILE A 169 31.029 -8.283 -12.150 1.00 0.00 H new ATOM 0 HD12 ILE A 169 30.076 -8.045 -10.666 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.257 -8.441 -12.195 1.00 0.00 H new ATOM 488 N ALA A 170 27.003 -3.967 -9.709 1.00 0.00 N ATOM 489 CA ALA A 170 25.729 -3.495 -9.186 1.00 0.00 C ATOM 490 C ALA A 170 25.741 -1.978 -8.999 1.00 0.00 C ATOM 491 O ALA A 170 24.683 -1.372 -8.863 1.00 0.00 O ATOM 492 CB ALA A 170 25.439 -4.198 -7.863 1.00 0.00 C ATOM 0 H ALA A 170 27.568 -4.481 -9.033 1.00 0.00 H new ATOM 0 HA ALA A 170 24.942 -3.731 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.486 -3.848 -7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.391 -5.275 -8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.233 -3.974 -7.150 1.00 0.00 H new ATOM 498 N LYS A 171 26.932 -1.364 -8.989 1.00 0.00 N ATOM 499 CA LYS A 171 27.054 0.080 -8.831 1.00 0.00 C ATOM 500 C LYS A 171 26.833 0.756 -10.182 1.00 0.00 C ATOM 501 O LYS A 171 26.208 1.813 -10.247 1.00 0.00 O ATOM 502 CB LYS A 171 28.436 0.426 -8.256 1.00 0.00 C ATOM 503 CG LYS A 171 28.318 0.794 -6.767 1.00 0.00 C ATOM 504 CD LYS A 171 27.769 -0.394 -5.955 1.00 0.00 C ATOM 505 CE LYS A 171 26.428 -0.016 -5.311 1.00 0.00 C ATOM 506 NZ LYS A 171 25.697 -1.213 -4.862 1.00 0.00 N ATOM 0 H LYS A 171 27.822 -1.851 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 171 26.299 0.443 -8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.110 -0.422 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.870 1.258 -8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.295 1.085 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 171 27.660 1.655 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 171 27.638 -1.260 -6.605 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.484 -0.679 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 171 26.603 0.646 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 171 25.821 0.537 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 24.753 -0.937 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 25.600 -1.878 -5.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 26.221 -1.670 -4.089 1.00 0.00 H new ATOM 520 N LEU A 172 27.335 0.139 -11.263 1.00 0.00 N ATOM 521 CA LEU A 172 27.143 0.666 -12.607 1.00 0.00 C ATOM 522 C LEU A 172 25.644 0.770 -12.891 1.00 0.00 C ATOM 523 O LEU A 172 25.197 1.721 -13.527 1.00 0.00 O ATOM 524 CB LEU A 172 27.832 -0.247 -13.629 1.00 0.00 C ATOM 525 CG LEU A 172 29.355 -0.050 -13.574 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.050 -1.268 -14.187 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.750 1.205 -14.362 1.00 0.00 C ATOM 0 H LEU A 172 27.876 -0.725 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 172 27.588 1.658 -12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.585 -1.288 -13.422 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.465 -0.025 -14.631 1.00 0.00 H new ATOM 0 HG LEU A 172 29.661 0.066 -12.534 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.130 -1.128 -14.148 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.779 -2.162 -13.626 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.736 -1.382 -15.225 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.831 1.337 -14.318 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.440 1.095 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.260 2.076 -13.928 1.00 0.00 H new ATOM 539 N LEU A 173 24.870 -0.210 -12.400 1.00 0.00 N ATOM 540 CA LEU A 173 23.425 -0.203 -12.545 1.00 0.00 C ATOM 541 C LEU A 173 22.846 0.742 -11.481 1.00 0.00 C ATOM 542 O LEU A 173 23.061 0.519 -10.293 1.00 0.00 O ATOM 543 CB LEU A 173 22.890 -1.629 -12.360 1.00 0.00 C ATOM 544 CG LEU A 173 23.287 -2.505 -13.559 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.258 -3.979 -13.149 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.307 -2.281 -14.715 1.00 0.00 C ATOM 0 H LEU A 173 25.234 -1.019 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 173 23.132 0.144 -13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.287 -2.058 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.805 -1.608 -12.259 1.00 0.00 H new ATOM 0 HG LEU A 173 24.293 -2.234 -13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.540 -4.599 -14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.961 -4.143 -12.332 1.00 0.00 H new ATOM 0 HD13 LEU A 173 22.253 -4.246 -12.822 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.594 -2.905 -15.561 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.299 -2.546 -14.394 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.329 -1.233 -15.013 1.00 0.00 H new ATOM 558 N PRO A 174 22.125 1.808 -11.891 1.00 0.00 N ATOM 559 CA PRO A 174 21.600 2.792 -10.964 1.00 0.00 C ATOM 560 C PRO A 174 20.598 2.172 -9.988 1.00 0.00 C ATOM 561 O PRO A 174 20.843 2.143 -8.784 1.00 0.00 O ATOM 562 CB PRO A 174 20.944 3.875 -11.831 1.00 0.00 C ATOM 563 CG PRO A 174 20.973 3.366 -13.277 1.00 0.00 C ATOM 564 CD PRO A 174 21.818 2.092 -13.280 1.00 0.00 C ATOM 0 HA PRO A 174 22.392 3.208 -10.341 1.00 0.00 H new ATOM 0 HB2 PRO A 174 19.920 4.061 -11.507 1.00 0.00 H new ATOM 0 HB3 PRO A 174 21.482 4.819 -11.743 1.00 0.00 H new ATOM 0 HG2 PRO A 174 19.964 3.161 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 174 21.402 4.116 -13.942 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.274 1.265 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 174 22.730 2.231 -13.860 1.00 0.00 H new ATOM 572 N GLY A 175 19.463 1.691 -10.507 1.00 0.00 N ATOM 573 CA GLY A 175 18.406 1.137 -9.673 1.00 0.00 C ATOM 574 C GLY A 175 18.671 -0.326 -9.327 1.00 0.00 C ATOM 575 O GLY A 175 17.838 -1.180 -9.621 1.00 0.00 O ATOM 0 H GLY A 175 19.258 1.677 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.323 1.719 -8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.451 1.222 -10.191 1.00 0.00 H new ATOM 579 N ARG A 176 19.824 -0.611 -8.693 1.00 0.00 N ATOM 580 CA ARG A 176 20.175 -1.967 -8.268 1.00 0.00 C ATOM 581 C ARG A 176 21.061 -1.905 -7.025 1.00 0.00 C ATOM 582 O ARG A 176 21.610 -0.852 -6.698 1.00 0.00 O ATOM 583 CB ARG A 176 20.918 -2.708 -9.394 1.00 0.00 C ATOM 584 CG ARG A 176 19.953 -3.176 -10.494 1.00 0.00 C ATOM 585 CD ARG A 176 18.865 -4.096 -9.905 1.00 0.00 C ATOM 586 NE ARG A 176 18.245 -4.933 -10.941 1.00 0.00 N ATOM 587 CZ ARG A 176 17.608 -4.438 -12.018 1.00 0.00 C ATOM 588 NH1 ARG A 176 17.424 -3.121 -12.158 1.00 0.00 N ATOM 589 NH2 ARG A 176 17.154 -5.269 -12.959 1.00 0.00 N ATOM 0 H ARG A 176 20.529 0.090 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 176 19.258 -2.508 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.673 -2.051 -9.826 1.00 0.00 H new ATOM 0 HB3 ARG A 176 21.443 -3.568 -8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.488 -2.312 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 176 20.506 -3.707 -11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 176 19.303 -4.733 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 176 18.100 -3.491 -9.419 1.00 0.00 H new ATOM 0 HE ARG A 176 18.301 -5.946 -10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 176 17.768 -2.479 -11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 176 16.940 -2.758 -12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 176 17.290 -6.275 -12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 176 16.671 -4.898 -13.777 1.00 0.00 H new ATOM 603 N THR A 177 21.199 -3.051 -6.339 1.00 0.00 N ATOM 604 CA THR A 177 22.027 -3.163 -5.145 1.00 0.00 C ATOM 605 C THR A 177 22.849 -4.450 -5.226 1.00 0.00 C ATOM 606 O THR A 177 22.358 -5.474 -5.700 1.00 0.00 O ATOM 607 CB THR A 177 21.138 -3.160 -3.895 1.00 0.00 C ATOM 608 OG1 THR A 177 20.101 -4.102 -4.050 1.00 0.00 O ATOM 609 CG2 THR A 177 20.533 -1.770 -3.686 1.00 0.00 C ATOM 0 H THR A 177 20.737 -3.921 -6.603 1.00 0.00 H new ATOM 0 HA THR A 177 22.707 -2.313 -5.081 1.00 0.00 H new ATOM 0 HB THR A 177 21.745 -3.422 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.535 -4.100 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.903 -1.777 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.333 -1.040 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.931 -1.501 -4.554 1.00 0.00 H new ATOM 617 N ASP A 178 24.102 -4.384 -4.765 1.00 0.00 N ATOM 618 CA ASP A 178 25.026 -5.515 -4.806 1.00 0.00 C ATOM 619 C ASP A 178 24.410 -6.761 -4.173 1.00 0.00 C ATOM 620 O ASP A 178 24.414 -7.824 -4.786 1.00 0.00 O ATOM 621 CB ASP A 178 26.329 -5.129 -4.092 1.00 0.00 C ATOM 622 CG ASP A 178 26.051 -4.302 -2.842 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.858 -4.925 -1.778 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.030 -3.057 -2.983 1.00 0.00 O ATOM 0 H ASP A 178 24.502 -3.541 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 178 25.240 -5.756 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.878 -6.030 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.965 -4.562 -4.772 1.00 0.00 H new ATOM 629 N ASN A 179 23.892 -6.635 -2.950 1.00 0.00 N ATOM 630 CA ASN A 179 23.310 -7.763 -2.238 1.00 0.00 C ATOM 631 C ASN A 179 22.214 -8.436 -3.072 1.00 0.00 C ATOM 632 O ASN A 179 22.142 -9.666 -3.117 1.00 0.00 O ATOM 633 CB ASN A 179 22.750 -7.285 -0.898 1.00 0.00 C ATOM 634 CG ASN A 179 22.298 -8.469 -0.048 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.986 -9.490 0.015 1.00 0.00 O ATOM 636 ND2 ASN A 179 21.145 -8.337 0.604 1.00 0.00 N ATOM 0 H ASN A 179 23.866 -5.756 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 179 24.089 -8.504 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.510 -6.716 -0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.910 -6.612 -1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 179 20.798 -9.100 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 179 20.609 -7.473 0.522 1.00 0.00 H new ATOM 643 N ALA A 180 21.361 -7.634 -3.723 1.00 0.00 N ATOM 644 CA ALA A 180 20.260 -8.163 -4.519 1.00 0.00 C ATOM 645 C ALA A 180 20.789 -8.974 -5.700 1.00 0.00 C ATOM 646 O ALA A 180 20.390 -10.122 -5.881 1.00 0.00 O ATOM 647 CB ALA A 180 19.377 -7.014 -5.009 1.00 0.00 C ATOM 0 H ALA A 180 21.418 -6.616 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 180 19.662 -8.827 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.556 -7.414 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.975 -6.473 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.970 -6.335 -5.621 1.00 0.00 H new ATOM 653 N ILE A 181 21.681 -8.382 -6.510 1.00 0.00 N ATOM 654 CA ILE A 181 22.224 -9.071 -7.678 1.00 0.00 C ATOM 655 C ILE A 181 22.971 -10.329 -7.238 1.00 0.00 C ATOM 656 O ILE A 181 22.802 -11.387 -7.836 1.00 0.00 O ATOM 657 CB ILE A 181 23.148 -8.134 -8.471 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.366 -6.878 -8.893 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.658 -8.874 -9.717 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.157 -6.080 -9.932 1.00 0.00 C ATOM 0 H ILE A 181 22.036 -7.435 -6.374 1.00 0.00 H new ATOM 0 HA ILE A 181 21.403 -9.366 -8.331 1.00 0.00 H new ATOM 0 HB ILE A 181 23.994 -7.835 -7.852 1.00 0.00 H new ATOM 0 HG12 ILE A 181 21.399 -7.166 -9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 181 22.168 -6.255 -8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.315 -8.217 -10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.210 -9.763 -9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 181 22.811 -9.168 -10.338 1.00 0.00 H new ATOM 0 HD11 ILE A 181 22.590 -5.195 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.113 -5.776 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 181 23.332 -6.700 -10.811 1.00 0.00 H new ATOM 672 N LYS A 182 23.793 -10.210 -6.192 1.00 0.00 N ATOM 673 CA LYS A 182 24.555 -11.332 -5.667 1.00 0.00 C ATOM 674 C LYS A 182 23.615 -12.498 -5.350 1.00 0.00 C ATOM 675 O LYS A 182 23.847 -13.624 -5.794 1.00 0.00 O ATOM 676 CB LYS A 182 25.301 -10.873 -4.407 1.00 0.00 C ATOM 677 CG LYS A 182 25.953 -12.076 -3.709 1.00 0.00 C ATOM 678 CD LYS A 182 26.883 -11.602 -2.579 1.00 0.00 C ATOM 679 CE LYS A 182 26.153 -10.635 -1.633 1.00 0.00 C ATOM 680 NZ LYS A 182 24.866 -11.192 -1.168 1.00 0.00 N ATOM 0 H LYS A 182 23.945 -9.334 -5.691 1.00 0.00 H new ATOM 0 HA LYS A 182 25.278 -11.675 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 182 26.063 -10.141 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.609 -10.379 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.182 -12.731 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.519 -12.661 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.245 -12.462 -2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.757 -11.109 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.787 -10.419 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.976 -9.689 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 24.371 -10.485 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 24.277 -11.438 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 25.042 -12.045 -0.600 1.00 0.00 H new ATOM 694 N ASN A 183 22.558 -12.222 -4.577 1.00 0.00 N ATOM 695 CA ASN A 183 21.598 -13.242 -4.185 1.00 0.00 C ATOM 696 C ASN A 183 20.920 -13.837 -5.420 1.00 0.00 C ATOM 697 O ASN A 183 20.934 -15.050 -5.605 1.00 0.00 O ATOM 698 CB ASN A 183 20.560 -12.624 -3.245 1.00 0.00 C ATOM 699 CG ASN A 183 19.483 -13.640 -2.882 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.380 -13.595 -3.417 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.805 -14.559 -1.971 1.00 0.00 N ATOM 0 H ASN A 183 22.351 -11.292 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 183 22.117 -14.047 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 183 21.050 -12.268 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 183 20.102 -11.757 -3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 183 19.121 -15.263 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 183 20.735 -14.558 -1.552 1.00 0.00 H new ATOM 708 N HIS A 184 20.325 -12.978 -6.255 1.00 0.00 N ATOM 709 CA HIS A 184 19.621 -13.409 -7.459 1.00 0.00 C ATOM 710 C HIS A 184 20.500 -14.329 -8.306 1.00 0.00 C ATOM 711 O HIS A 184 20.076 -15.424 -8.683 1.00 0.00 O ATOM 712 CB HIS A 184 19.212 -12.172 -8.271 1.00 0.00 C ATOM 713 CG HIS A 184 19.127 -12.447 -9.751 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.192 -13.315 -10.305 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.859 -11.990 -10.820 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.411 -13.324 -11.636 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.418 -12.536 -12.015 1.00 0.00 N ATOM 0 H HIS A 184 20.320 -11.968 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 184 18.732 -13.970 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.246 -11.814 -7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.932 -11.373 -8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.678 -11.291 -10.739 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.827 -13.913 -12.328 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.777 -12.374 -12.956 1.00 0.00 H new ATOM 725 N TRP A 185 21.713 -13.876 -8.620 1.00 0.00 N ATOM 726 CA TRP A 185 22.612 -14.623 -9.472 1.00 0.00 C ATOM 727 C TRP A 185 22.904 -16.002 -8.875 1.00 0.00 C ATOM 728 O TRP A 185 22.678 -17.014 -9.526 1.00 0.00 O ATOM 729 CB TRP A 185 23.902 -13.826 -9.685 1.00 0.00 C ATOM 730 CG TRP A 185 24.909 -14.500 -10.567 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.717 -15.499 -10.193 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.233 -14.254 -11.970 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.519 -15.906 -11.225 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.267 -15.166 -12.359 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.767 -13.362 -12.959 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.805 -15.187 -13.645 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.309 -13.381 -14.263 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.328 -14.290 -14.601 1.00 0.00 C ATOM 0 H TRP A 185 22.090 -12.988 -8.290 1.00 0.00 H new ATOM 0 HA TRP A 185 22.137 -14.780 -10.441 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.649 -12.858 -10.117 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.359 -13.632 -8.715 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.734 -15.930 -9.203 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.209 -16.655 -11.163 1.00 0.00 H new ATOM 0 HE3 TRP A 185 23.986 -12.656 -12.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.584 -15.891 -13.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 24.938 -12.692 -15.007 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.740 -14.293 -15.599 1.00 0.00 H new ATOM 749 N ASN A 186 23.412 -16.048 -7.644 1.00 0.00 N ATOM 750 CA ASN A 186 23.754 -17.317 -7.010 1.00 0.00 C ATOM 751 C ASN A 186 22.512 -18.198 -6.848 1.00 0.00 C ATOM 752 O ASN A 186 22.618 -19.424 -6.852 1.00 0.00 O ATOM 753 CB ASN A 186 24.405 -17.050 -5.650 1.00 0.00 C ATOM 754 CG ASN A 186 25.796 -16.442 -5.813 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.559 -16.849 -6.689 1.00 0.00 O ATOM 756 ND2 ASN A 186 26.128 -15.468 -4.967 1.00 0.00 N ATOM 0 H ASN A 186 23.594 -15.225 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 186 24.460 -17.850 -7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.776 -16.375 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.476 -17.982 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 186 27.046 -15.028 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.464 -15.162 -4.256 1.00 0.00 H new ATOM 763 N SER A 187 21.340 -17.580 -6.700 1.00 0.00 N ATOM 764 CA SER A 187 20.104 -18.314 -6.508 1.00 0.00 C ATOM 765 C SER A 187 19.689 -19.046 -7.787 1.00 0.00 C ATOM 766 O SER A 187 19.293 -20.209 -7.716 1.00 0.00 O ATOM 767 CB SER A 187 19.003 -17.345 -6.062 1.00 0.00 C ATOM 768 OG SER A 187 17.786 -18.045 -5.911 1.00 0.00 O ATOM 0 H SER A 187 21.228 -16.566 -6.711 1.00 0.00 H new ATOM 0 HA SER A 187 20.260 -19.067 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.281 -16.872 -5.120 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.887 -16.548 -6.797 1.00 0.00 H new ATOM 0 HG SER A 187 17.085 -17.424 -5.624 1.00 0.00 H new ATOM 774 N THR A 188 19.758 -18.371 -8.951 1.00 0.00 N ATOM 775 CA THR A 188 19.283 -18.956 -10.209 1.00 0.00 C ATOM 776 C THR A 188 20.374 -18.999 -11.289 1.00 0.00 C ATOM 777 O THR A 188 20.598 -20.049 -11.887 1.00 0.00 O ATOM 778 CB THR A 188 18.081 -18.136 -10.700 1.00 0.00 C ATOM 779 OG1 THR A 188 17.096 -18.092 -9.688 1.00 0.00 O ATOM 780 CG2 THR A 188 17.483 -18.781 -11.953 1.00 0.00 C ATOM 0 H THR A 188 20.136 -17.428 -9.041 1.00 0.00 H new ATOM 0 HA THR A 188 18.995 -19.990 -10.020 1.00 0.00 H new ATOM 0 HB THR A 188 18.414 -17.126 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.329 -17.567 -10.000 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.631 -18.193 -12.294 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.237 -18.817 -12.739 1.00 0.00 H new ATOM 0 HG23 THR A 188 17.154 -19.794 -11.719 1.00 0.00 H new ATOM 788 N MET A 189 21.027 -17.861 -11.558 1.00 0.00 N ATOM 789 CA MET A 189 22.009 -17.764 -12.642 1.00 0.00 C ATOM 790 C MET A 189 23.133 -18.785 -12.465 1.00 0.00 C ATOM 791 O MET A 189 23.239 -19.725 -13.251 1.00 0.00 O ATOM 792 CB MET A 189 22.586 -16.345 -12.697 1.00 0.00 C ATOM 793 CG MET A 189 21.477 -15.327 -12.997 1.00 0.00 C ATOM 794 SD MET A 189 20.983 -15.267 -14.737 1.00 0.00 S ATOM 795 CE MET A 189 22.442 -14.434 -15.408 1.00 0.00 C ATOM 0 H MET A 189 20.892 -16.994 -11.038 1.00 0.00 H new ATOM 0 HA MET A 189 21.502 -17.984 -13.582 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.063 -16.103 -11.748 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.357 -16.289 -13.465 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.604 -15.567 -12.390 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.815 -14.337 -12.692 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.273 -14.193 -16.458 1.00 0.00 H new ATOM 0 HE2 MET A 189 22.626 -13.516 -14.850 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.308 -15.090 -15.321 1.00 0.00 H new ATOM 805 N ARG A 190 23.976 -18.589 -11.440 1.00 0.00 N ATOM 806 CA ARG A 190 25.110 -19.469 -11.176 1.00 0.00 C ATOM 807 C ARG A 190 25.993 -19.549 -12.431 1.00 0.00 C ATOM 808 O ARG A 190 26.173 -18.539 -13.108 1.00 0.00 O ATOM 809 CB ARG A 190 24.602 -20.853 -10.741 1.00 0.00 C ATOM 810 CG ARG A 190 23.619 -20.699 -9.578 1.00 0.00 C ATOM 811 CD ARG A 190 23.136 -22.075 -9.123 1.00 0.00 C ATOM 812 NE ARG A 190 22.016 -21.945 -8.184 1.00 0.00 N ATOM 813 CZ ARG A 190 21.238 -22.979 -7.823 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.595 -24.232 -8.136 1.00 0.00 N ATOM 815 NH2 ARG A 190 20.103 -22.757 -7.151 1.00 0.00 N ATOM 0 H ARG A 190 23.886 -17.819 -10.778 1.00 0.00 H new ATOM 0 HA ARG A 190 25.717 -19.071 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 190 24.114 -21.352 -11.578 1.00 0.00 H new ATOM 0 HB3 ARG A 190 25.441 -21.481 -10.440 1.00 0.00 H new ATOM 0 HG2 ARG A 190 24.101 -20.180 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.770 -20.089 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 190 22.826 -22.662 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.955 -22.615 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 190 21.819 -21.026 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.460 -24.403 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 190 21.002 -25.015 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 190 19.829 -21.804 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 190 19.511 -23.541 -6.876 1.00 0.00 H new