USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 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 182 LYS NZ :NH3+ 159:sc= 1.27 (180deg=-0.174) USER MOD Set 1.2: A 186 ASN : amide:sc= -0.98 K(o=0.29,f=-8.5!) USER MOD Set 2.1: A 184 HIS : no HD1:sc= -0.0185 K(o=0.28,f=-0.9) USER MOD Set 2.2: A 188 THR OG1 : rot 132:sc= 0.324 USER MOD Set 2.3: A 189 MET CE :methyl -111:sc= -0.0236 (180deg=-0.545) USER MOD Set 3.1: A 179 ASN : amide:sc= 0.418 K(o=0.62,f=-1.2) USER MOD Set 3.2: A 183 ASN : amide:sc= 0.199 K(o=0.62,f=-1.1) USER MOD Set 4.1: A 159 HIS : no HD1:sc= -0.858 K(o=-0.87,f=-1.9!) USER MOD Set 4.2: A 164 ASN : amide:sc=-0.00819 X(o=-0.87,f=-0.88) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ -177:sc= 1.5 (180deg=1.4) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.0847 USER MOD Single : A 187 SER OG : rot 90:sc= 0.721 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.941 -9.373 -12.579 1.00 0.00 N ATOM 89 CA TRP A 147 15.069 -9.487 -13.507 1.00 0.00 C ATOM 90 C TRP A 147 14.598 -10.093 -14.827 1.00 0.00 C ATOM 91 O TRP A 147 14.346 -11.293 -14.915 1.00 0.00 O ATOM 92 CB TRP A 147 16.214 -10.307 -12.895 1.00 0.00 C ATOM 93 CG TRP A 147 16.791 -9.726 -11.645 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.510 -10.118 -10.393 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.759 -8.647 -11.503 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.219 -9.377 -9.476 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.013 -8.447 -10.110 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.454 -7.814 -12.405 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.905 -7.481 -9.643 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.353 -6.834 -11.936 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.577 -6.672 -10.561 1.00 0.00 C ATOM 0 HA TRP A 147 15.459 -8.488 -13.703 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.850 -11.312 -12.680 1.00 0.00 H new ATOM 0 HB3 TRP A 147 17.008 -10.407 -13.635 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.820 -10.909 -10.139 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.164 -9.500 -8.465 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.296 -7.928 -13.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.074 -7.361 -8.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.873 -6.203 -12.641 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.270 -5.921 -10.212 1.00 0.00 H new ATOM 112 N THR A 148 14.481 -9.249 -15.857 1.00 0.00 N ATOM 113 CA THR A 148 14.046 -9.690 -17.171 1.00 0.00 C ATOM 114 C THR A 148 15.217 -10.334 -17.907 1.00 0.00 C ATOM 115 O THR A 148 16.375 -10.083 -17.578 1.00 0.00 O ATOM 116 CB THR A 148 13.512 -8.489 -17.962 1.00 0.00 C ATOM 117 OG1 THR A 148 14.520 -7.506 -18.066 1.00 0.00 O ATOM 118 CG2 THR A 148 12.293 -7.896 -17.252 1.00 0.00 C ATOM 0 H THR A 148 14.685 -8.251 -15.797 1.00 0.00 H new ATOM 0 HA THR A 148 13.249 -10.426 -17.067 1.00 0.00 H new ATOM 0 HB THR A 148 13.220 -8.820 -18.959 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.179 -6.740 -18.573 1.00 0.00 H new ATOM 0 HG21 THR A 148 11.920 -7.044 -17.820 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.512 -8.652 -17.177 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.578 -7.569 -16.252 1.00 0.00 H new ATOM 126 N GLU A 149 14.909 -11.162 -18.912 1.00 0.00 N ATOM 127 CA GLU A 149 15.928 -11.830 -19.709 1.00 0.00 C ATOM 128 C GLU A 149 16.895 -10.792 -20.292 1.00 0.00 C ATOM 129 O GLU A 149 18.088 -11.055 -20.415 1.00 0.00 O ATOM 130 CB GLU A 149 15.234 -12.644 -20.812 1.00 0.00 C ATOM 131 CG GLU A 149 16.261 -13.482 -21.596 1.00 0.00 C ATOM 132 CD GLU A 149 16.895 -12.694 -22.743 1.00 0.00 C ATOM 133 OE1 GLU A 149 16.290 -11.681 -23.152 1.00 0.00 O ATOM 134 OE2 GLU A 149 17.981 -13.124 -23.196 1.00 0.00 O ATOM 0 H GLU A 149 13.952 -11.382 -19.189 1.00 0.00 H new ATOM 0 HA GLU A 149 16.513 -12.510 -19.091 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.484 -13.299 -20.370 1.00 0.00 H new ATOM 0 HB3 GLU A 149 14.710 -11.972 -21.492 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.042 -13.824 -20.917 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.773 -14.371 -21.995 1.00 0.00 H new ATOM 141 N GLU A 150 16.375 -9.607 -20.639 1.00 0.00 N ATOM 142 CA GLU A 150 17.190 -8.533 -21.181 1.00 0.00 C ATOM 143 C GLU A 150 18.145 -8.008 -20.102 1.00 0.00 C ATOM 144 O GLU A 150 19.324 -7.793 -20.369 1.00 0.00 O ATOM 145 CB GLU A 150 16.271 -7.414 -21.691 1.00 0.00 C ATOM 146 CG GLU A 150 17.079 -6.384 -22.496 1.00 0.00 C ATOM 147 CD GLU A 150 17.533 -6.960 -23.834 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.640 -7.282 -24.645 1.00 0.00 O ATOM 149 OE2 GLU A 150 18.766 -7.067 -24.023 1.00 0.00 O ATOM 0 H GLU A 150 15.386 -9.376 -20.550 1.00 0.00 H new ATOM 0 HA GLU A 150 17.789 -8.904 -22.012 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.484 -7.837 -22.315 1.00 0.00 H new ATOM 0 HB3 GLU A 150 15.781 -6.924 -20.849 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.471 -5.495 -22.667 1.00 0.00 H new ATOM 0 HG3 GLU A 150 17.949 -6.069 -21.919 1.00 0.00 H new ATOM 156 N GLU A 151 17.630 -7.798 -18.881 1.00 0.00 N ATOM 157 CA GLU A 151 18.434 -7.276 -17.782 1.00 0.00 C ATOM 158 C GLU A 151 19.544 -8.268 -17.413 1.00 0.00 C ATOM 159 O GLU A 151 20.673 -7.856 -17.152 1.00 0.00 O ATOM 160 CB GLU A 151 17.524 -6.988 -16.579 1.00 0.00 C ATOM 161 CG GLU A 151 18.205 -5.985 -15.636 1.00 0.00 C ATOM 162 CD GLU A 151 17.275 -5.575 -14.494 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.139 -6.100 -14.458 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.714 -4.743 -13.669 1.00 0.00 O ATOM 0 H GLU A 151 16.657 -7.984 -18.636 1.00 0.00 H new ATOM 0 HA GLU A 151 18.912 -6.346 -18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 151 16.570 -6.588 -16.922 1.00 0.00 H new ATOM 0 HB3 GLU A 151 17.309 -7.914 -16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 151 19.114 -6.427 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 151 18.506 -5.101 -16.198 1.00 0.00 H new ATOM 171 N ASP A 152 19.224 -9.574 -17.399 1.00 0.00 N ATOM 172 CA ASP A 152 20.196 -10.620 -17.070 1.00 0.00 C ATOM 173 C ASP A 152 21.481 -10.438 -17.887 1.00 0.00 C ATOM 174 O ASP A 152 22.583 -10.616 -17.364 1.00 0.00 O ATOM 175 CB ASP A 152 19.582 -12.000 -17.351 1.00 0.00 C ATOM 176 CG ASP A 152 18.732 -12.485 -16.180 1.00 0.00 C ATOM 177 OD1 ASP A 152 17.950 -11.662 -15.662 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.880 -13.677 -15.825 1.00 0.00 O ATOM 0 H ASP A 152 18.292 -9.927 -17.614 1.00 0.00 H new ATOM 0 HA ASP A 152 20.449 -10.546 -16.012 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.968 -11.950 -18.251 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.377 -12.720 -17.547 1.00 0.00 H new ATOM 183 N ARG A 153 21.335 -10.086 -19.173 1.00 0.00 N ATOM 184 CA ARG A 153 22.472 -9.907 -20.072 1.00 0.00 C ATOM 185 C ARG A 153 23.458 -8.883 -19.511 1.00 0.00 C ATOM 186 O ARG A 153 24.663 -9.049 -19.661 1.00 0.00 O ATOM 187 CB ARG A 153 21.979 -9.444 -21.446 1.00 0.00 C ATOM 188 CG ARG A 153 21.072 -10.504 -22.077 1.00 0.00 C ATOM 189 CD ARG A 153 20.354 -9.898 -23.282 1.00 0.00 C ATOM 190 NE ARG A 153 19.362 -10.830 -23.828 1.00 0.00 N ATOM 191 CZ ARG A 153 18.659 -10.583 -24.945 1.00 0.00 C ATOM 192 NH1 ARG A 153 18.668 -9.363 -25.495 1.00 0.00 N ATOM 193 NH2 ARG A 153 17.946 -11.564 -25.505 1.00 0.00 N ATOM 0 H ARG A 153 20.429 -9.920 -19.612 1.00 0.00 H new ATOM 0 HA ARG A 153 22.985 -10.864 -20.168 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.435 -8.505 -21.346 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.831 -9.251 -22.098 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.662 -11.367 -22.386 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.345 -10.860 -21.347 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.863 -8.970 -22.988 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.081 -9.643 -24.053 1.00 0.00 H new ATOM 0 HE ARG A 153 19.198 -11.708 -23.336 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.211 -8.614 -25.066 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.132 -9.182 -26.344 1.00 0.00 H new ATOM 0 HH21 ARG A 153 17.938 -12.493 -25.084 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.409 -11.384 -26.354 1.00 0.00 H new ATOM 207 N ILE A 154 22.949 -7.818 -18.879 1.00 0.00 N ATOM 208 CA ILE A 154 23.798 -6.759 -18.345 1.00 0.00 C ATOM 209 C ILE A 154 24.739 -7.324 -17.281 1.00 0.00 C ATOM 210 O ILE A 154 25.954 -7.132 -17.360 1.00 0.00 O ATOM 211 CB ILE A 154 22.926 -5.635 -17.755 1.00 0.00 C ATOM 212 CG1 ILE A 154 21.894 -5.136 -18.791 1.00 0.00 C ATOM 213 CG2 ILE A 154 23.821 -4.471 -17.308 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.576 -4.729 -20.103 1.00 0.00 C ATOM 0 H ILE A 154 21.951 -7.672 -18.727 1.00 0.00 H new ATOM 0 HA ILE A 154 24.401 -6.345 -19.153 1.00 0.00 H new ATOM 0 HB ILE A 154 22.384 -6.031 -16.896 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.163 -5.920 -18.986 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.348 -4.286 -18.383 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.203 -3.676 -16.891 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.522 -4.821 -16.550 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.375 -4.088 -18.165 1.00 0.00 H new ATOM 0 HD11 ILE A 154 21.824 -4.382 -20.812 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.289 -3.927 -19.909 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.101 -5.588 -20.522 1.00 0.00 H new ATOM 226 N ILE A 155 24.180 -8.020 -16.284 1.00 0.00 N ATOM 227 CA ILE A 155 24.975 -8.589 -15.204 1.00 0.00 C ATOM 228 C ILE A 155 25.969 -9.602 -15.771 1.00 0.00 C ATOM 229 O ILE A 155 27.087 -9.693 -15.290 1.00 0.00 O ATOM 230 CB ILE A 155 24.054 -9.249 -14.164 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.008 -8.236 -13.672 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.883 -9.735 -12.967 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.611 -8.751 -14.000 1.00 0.00 C ATOM 0 H ILE A 155 23.179 -8.200 -16.208 1.00 0.00 H new ATOM 0 HA ILE A 155 25.535 -7.795 -14.710 1.00 0.00 H new ATOM 0 HB ILE A 155 23.551 -10.096 -14.629 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.109 -8.085 -12.597 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.172 -7.268 -14.146 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.225 -10.201 -12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.621 -10.462 -13.307 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.393 -8.887 -12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.868 -8.034 -13.652 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.514 -8.879 -15.078 1.00 0.00 H new ATOM 0 HD13 ILE A 155 21.451 -9.709 -13.505 1.00 0.00 H new ATOM 245 N TYR A 156 25.559 -10.363 -16.793 1.00 0.00 N ATOM 246 CA TYR A 156 26.425 -11.367 -17.401 1.00 0.00 C ATOM 247 C TYR A 156 27.592 -10.701 -18.131 1.00 0.00 C ATOM 248 O TYR A 156 28.738 -11.123 -17.981 1.00 0.00 O ATOM 249 CB TYR A 156 25.603 -12.235 -18.360 1.00 0.00 C ATOM 250 CG TYR A 156 26.205 -13.607 -18.572 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.960 -14.627 -17.636 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.014 -13.864 -19.694 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.524 -15.898 -17.817 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.576 -15.140 -19.877 1.00 0.00 C ATOM 255 CZ TYR A 156 27.331 -16.157 -18.937 1.00 0.00 C ATOM 256 OH TYR A 156 27.880 -17.394 -19.113 1.00 0.00 O ATOM 0 H TYR A 156 24.632 -10.299 -17.213 1.00 0.00 H new ATOM 0 HA TYR A 156 26.843 -12.002 -16.620 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.592 -12.344 -17.968 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.520 -11.728 -19.321 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.336 -14.431 -16.776 1.00 0.00 H new ATOM 0 HD2 TYR A 156 27.203 -13.082 -20.414 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.338 -16.679 -17.094 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.195 -15.339 -20.739 1.00 0.00 H new ATOM 0 HH TYR A 156 28.409 -17.403 -19.938 1.00 0.00 H new ATOM 266 N GLN A 157 27.299 -9.663 -18.921 1.00 0.00 N ATOM 267 CA GLN A 157 28.312 -8.951 -19.689 1.00 0.00 C ATOM 268 C GLN A 157 29.358 -8.336 -18.763 1.00 0.00 C ATOM 269 O GLN A 157 30.518 -8.213 -19.145 1.00 0.00 O ATOM 270 CB GLN A 157 27.626 -7.870 -20.535 1.00 0.00 C ATOM 271 CG GLN A 157 28.613 -7.293 -21.557 1.00 0.00 C ATOM 272 CD GLN A 157 27.963 -6.185 -22.381 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.403 -5.040 -22.339 1.00 0.00 O ATOM 274 NE2 GLN A 157 26.914 -6.527 -23.130 1.00 0.00 N ATOM 0 H GLN A 157 26.354 -9.298 -19.042 1.00 0.00 H new ATOM 0 HA GLN A 157 28.828 -9.650 -20.347 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.764 -8.293 -21.050 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.253 -7.075 -19.890 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.489 -6.901 -21.040 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.962 -8.086 -22.219 1.00 0.00 H new ATOM 0 HE21 GLN A 157 26.583 -7.492 -23.134 1.00 0.00 H new ATOM 0 HE22 GLN A 157 26.443 -5.824 -23.699 1.00 0.00 H new ATOM 283 N ALA A 158 28.951 -7.953 -17.550 1.00 0.00 N ATOM 284 CA ALA A 158 29.861 -7.362 -16.584 1.00 0.00 C ATOM 285 C ALA A 158 30.596 -8.461 -15.812 1.00 0.00 C ATOM 286 O ALA A 158 31.820 -8.449 -15.731 1.00 0.00 O ATOM 287 CB ALA A 158 29.062 -6.466 -15.637 1.00 0.00 C ATOM 0 H ALA A 158 27.991 -8.045 -17.219 1.00 0.00 H new ATOM 0 HA ALA A 158 30.610 -6.759 -17.097 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.735 -6.017 -14.907 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.570 -5.680 -16.209 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.311 -7.062 -15.119 1.00 0.00 H new ATOM 293 N HIS A 159 29.839 -9.405 -15.245 1.00 0.00 N ATOM 294 CA HIS A 159 30.393 -10.497 -14.454 1.00 0.00 C ATOM 295 C HIS A 159 31.473 -11.249 -15.232 1.00 0.00 C ATOM 296 O HIS A 159 32.531 -11.538 -14.686 1.00 0.00 O ATOM 297 CB HIS A 159 29.259 -11.449 -14.047 1.00 0.00 C ATOM 298 CG HIS A 159 29.748 -12.646 -13.273 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.433 -13.697 -13.869 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.661 -12.990 -11.949 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.713 -14.581 -12.894 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.267 -14.212 -11.694 1.00 0.00 N ATOM 0 H HIS A 159 28.822 -9.429 -15.325 1.00 0.00 H new ATOM 0 HA HIS A 159 30.861 -10.085 -13.560 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.533 -10.904 -13.443 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.738 -11.789 -14.942 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.179 -12.384 -11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.249 -15.503 -13.068 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.351 -14.706 -10.806 1.00 0.00 H new ATOM 310 N LYS A 160 31.209 -11.578 -16.500 1.00 0.00 N ATOM 311 CA LYS A 160 32.158 -12.339 -17.307 1.00 0.00 C ATOM 312 C LYS A 160 33.525 -11.640 -17.381 1.00 0.00 C ATOM 313 O LYS A 160 34.539 -12.313 -17.549 1.00 0.00 O ATOM 314 CB LYS A 160 31.577 -12.580 -18.710 1.00 0.00 C ATOM 315 CG LYS A 160 31.404 -11.253 -19.465 1.00 0.00 C ATOM 316 CD LYS A 160 32.545 -11.057 -20.472 1.00 0.00 C ATOM 317 CE LYS A 160 32.280 -11.892 -21.730 1.00 0.00 C ATOM 318 NZ LYS A 160 33.368 -11.731 -22.710 1.00 0.00 N ATOM 0 H LYS A 160 30.347 -11.329 -16.986 1.00 0.00 H new ATOM 0 HA LYS A 160 32.321 -13.304 -16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 160 32.237 -13.240 -19.273 1.00 0.00 H new ATOM 0 HB3 LYS A 160 30.615 -13.085 -18.628 1.00 0.00 H new ATOM 0 HG2 LYS A 160 30.446 -11.246 -19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 160 31.389 -10.424 -18.757 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.631 -10.003 -20.736 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.493 -11.352 -20.022 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.183 -12.943 -21.459 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.334 -11.590 -22.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 33.165 -12.306 -23.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 33.443 -10.731 -22.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 34.265 -12.042 -22.287 1.00 0.00 H new ATOM 332 N ARG A 161 33.557 -10.297 -17.261 1.00 0.00 N ATOM 333 CA ARG A 161 34.815 -9.545 -17.331 1.00 0.00 C ATOM 334 C ARG A 161 35.191 -8.932 -15.971 1.00 0.00 C ATOM 335 O ARG A 161 36.101 -8.105 -15.911 1.00 0.00 O ATOM 336 CB ARG A 161 34.702 -8.453 -18.406 1.00 0.00 C ATOM 337 CG ARG A 161 33.595 -7.455 -18.044 1.00 0.00 C ATOM 338 CD ARG A 161 33.591 -6.298 -19.045 1.00 0.00 C ATOM 339 NE ARG A 161 34.777 -5.449 -18.870 1.00 0.00 N ATOM 340 CZ ARG A 161 34.999 -4.337 -19.593 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.120 -3.955 -20.531 1.00 0.00 N ATOM 342 NH2 ARG A 161 36.101 -3.608 -19.375 1.00 0.00 N ATOM 0 H ARG A 161 32.729 -9.719 -17.116 1.00 0.00 H new ATOM 0 HA ARG A 161 35.612 -10.238 -17.601 1.00 0.00 H new ATOM 0 HB2 ARG A 161 35.654 -7.930 -18.503 1.00 0.00 H new ATOM 0 HB3 ARG A 161 34.488 -8.907 -19.373 1.00 0.00 H new ATOM 0 HG2 ARG A 161 32.626 -7.955 -18.049 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.752 -7.074 -17.035 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.567 -6.691 -20.061 1.00 0.00 H new ATOM 0 HD3 ARG A 161 32.689 -5.701 -18.913 1.00 0.00 H new ATOM 0 HE ARG A 161 35.465 -5.716 -18.166 1.00 0.00 H new ATOM 0 HH11 ARG A 161 33.280 -4.508 -20.698 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.292 -3.111 -21.077 1.00 0.00 H new ATOM 0 HH21 ARG A 161 36.770 -3.896 -18.662 1.00 0.00 H new ATOM 0 HH22 ARG A 161 36.271 -2.764 -19.922 1.00 0.00 H new ATOM 356 N LEU A 162 34.506 -9.328 -14.882 1.00 0.00 N ATOM 357 CA LEU A 162 34.804 -8.803 -13.546 1.00 0.00 C ATOM 358 C LEU A 162 34.866 -9.939 -12.526 1.00 0.00 C ATOM 359 O LEU A 162 35.851 -10.063 -11.798 1.00 0.00 O ATOM 360 CB LEU A 162 33.731 -7.785 -13.131 1.00 0.00 C ATOM 361 CG LEU A 162 33.978 -6.428 -13.810 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.705 -5.585 -13.733 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.117 -5.684 -13.102 1.00 0.00 C ATOM 0 H LEU A 162 33.746 -10.008 -14.906 1.00 0.00 H new ATOM 0 HA LEU A 162 35.775 -8.308 -13.576 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.744 -8.159 -13.402 1.00 0.00 H new ATOM 0 HB3 LEU A 162 33.739 -7.662 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 162 34.252 -6.596 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.877 -4.622 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.893 -6.105 -14.242 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.436 -5.426 -12.689 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.284 -4.724 -13.591 1.00 0.00 H new ATOM 0 HD22 LEU A 162 34.850 -5.518 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.028 -6.280 -13.153 1.00 0.00 H new ATOM 375 N GLY A 163 33.808 -10.751 -12.470 1.00 0.00 N ATOM 376 CA GLY A 163 33.702 -11.852 -11.526 1.00 0.00 C ATOM 377 C GLY A 163 32.516 -11.601 -10.604 1.00 0.00 C ATOM 378 O GLY A 163 31.560 -10.936 -10.998 1.00 0.00 O ATOM 0 H GLY A 163 32.999 -10.658 -13.084 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.572 -12.794 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.620 -11.939 -10.944 1.00 0.00 H new ATOM 382 N ASN A 164 32.576 -12.118 -9.371 1.00 0.00 N ATOM 383 CA ASN A 164 31.499 -11.924 -8.401 1.00 0.00 C ATOM 384 C ASN A 164 31.659 -10.567 -7.703 1.00 0.00 C ATOM 385 O ASN A 164 31.210 -10.398 -6.571 1.00 0.00 O ATOM 386 CB ASN A 164 31.515 -13.057 -7.365 1.00 0.00 C ATOM 387 CG ASN A 164 31.668 -14.423 -8.030 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.693 -15.000 -8.509 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.896 -14.944 -8.056 1.00 0.00 N ATOM 0 H ASN A 164 33.359 -12.673 -9.025 1.00 0.00 H new ATOM 0 HA ASN A 164 30.543 -11.939 -8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.335 -12.899 -6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.592 -13.035 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.054 -15.856 -8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.677 -14.431 -7.647 1.00 0.00 H new ATOM 396 N ARG A 165 32.300 -9.601 -8.376 1.00 0.00 N ATOM 397 CA ARG A 165 32.518 -8.279 -7.815 1.00 0.00 C ATOM 398 C ARG A 165 31.285 -7.416 -8.059 1.00 0.00 C ATOM 399 O ARG A 165 31.338 -6.441 -8.811 1.00 0.00 O ATOM 400 CB ARG A 165 33.766 -7.653 -8.451 1.00 0.00 C ATOM 401 CG ARG A 165 35.021 -8.350 -7.917 1.00 0.00 C ATOM 402 CD ARG A 165 36.273 -7.664 -8.473 1.00 0.00 C ATOM 403 NE ARG A 165 36.570 -8.125 -9.836 1.00 0.00 N ATOM 404 CZ ARG A 165 37.553 -7.605 -10.590 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.252 -6.547 -10.155 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.835 -8.149 -11.778 1.00 0.00 N ATOM 0 H ARG A 165 32.676 -9.722 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 165 32.681 -8.351 -6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.719 -7.747 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.806 -6.587 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.031 -8.317 -6.828 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.014 -9.402 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.128 -6.584 -8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.123 -7.871 -7.823 1.00 0.00 H new ATOM 0 HE ARG A 165 36.003 -8.876 -10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 165 38.039 -6.133 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.997 -6.156 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.305 -8.955 -12.108 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.580 -7.758 -12.354 1.00 0.00 H new ATOM 420 N TRP A 166 30.168 -7.775 -7.413 1.00 0.00 N ATOM 421 CA TRP A 166 28.926 -7.028 -7.556 1.00 0.00 C ATOM 422 C TRP A 166 29.115 -5.605 -7.044 1.00 0.00 C ATOM 423 O TRP A 166 28.365 -4.722 -7.411 1.00 0.00 O ATOM 424 CB TRP A 166 27.789 -7.721 -6.802 1.00 0.00 C ATOM 425 CG TRP A 166 27.926 -9.200 -6.687 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.335 -9.842 -5.592 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.679 -10.238 -7.680 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.374 -11.199 -5.798 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.975 -11.507 -7.086 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.239 -10.249 -9.024 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.846 -12.709 -7.784 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.107 -11.462 -9.732 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.415 -12.687 -9.113 1.00 0.00 C ATOM 0 H TRP A 166 30.106 -8.579 -6.788 1.00 0.00 H new ATOM 0 HA TRP A 166 28.660 -6.991 -8.612 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.725 -7.297 -5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.848 -7.495 -7.304 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.601 -9.358 -4.664 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.658 -11.885 -5.098 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.001 -9.317 -9.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.077 -13.647 -7.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.767 -11.450 -10.757 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.318 -13.610 -9.665 1.00 0.00 H new ATOM 444 N ALA A 167 30.127 -5.381 -6.199 1.00 0.00 N ATOM 445 CA ALA A 167 30.416 -4.054 -5.685 1.00 0.00 C ATOM 446 C ALA A 167 30.667 -3.089 -6.846 1.00 0.00 C ATOM 447 O ALA A 167 30.401 -1.896 -6.723 1.00 0.00 O ATOM 448 CB ALA A 167 31.635 -4.122 -4.766 1.00 0.00 C ATOM 0 H ALA A 167 30.756 -6.109 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 167 29.563 -3.688 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.854 -3.127 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.428 -4.797 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.494 -4.490 -5.327 1.00 0.00 H new ATOM 454 N GLU A 168 31.176 -3.612 -7.975 1.00 0.00 N ATOM 455 CA GLU A 168 31.458 -2.804 -9.152 1.00 0.00 C ATOM 456 C GLU A 168 30.298 -2.896 -10.143 1.00 0.00 C ATOM 457 O GLU A 168 29.874 -1.882 -10.689 1.00 0.00 O ATOM 458 CB GLU A 168 32.766 -3.283 -9.799 1.00 0.00 C ATOM 459 CG GLU A 168 33.892 -3.328 -8.756 1.00 0.00 C ATOM 460 CD GLU A 168 33.943 -2.043 -7.937 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.994 -0.964 -8.569 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.920 -2.158 -6.694 1.00 0.00 O ATOM 0 H GLU A 168 31.399 -4.601 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 168 31.572 -1.760 -8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.624 -4.273 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.043 -2.614 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.741 -4.179 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.848 -3.480 -9.257 1.00 0.00 H new ATOM 469 N ILE A 169 29.784 -4.110 -10.376 1.00 0.00 N ATOM 470 CA ILE A 169 28.679 -4.314 -11.312 1.00 0.00 C ATOM 471 C ILE A 169 27.466 -3.493 -10.864 1.00 0.00 C ATOM 472 O ILE A 169 26.779 -2.891 -11.685 1.00 0.00 O ATOM 473 CB ILE A 169 28.318 -5.809 -11.381 1.00 0.00 C ATOM 474 CG1 ILE A 169 29.557 -6.641 -11.768 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.212 -6.018 -12.423 1.00 0.00 C ATOM 476 CD1 ILE A 169 29.290 -8.127 -11.514 1.00 0.00 C ATOM 0 H ILE A 169 30.118 -4.963 -9.928 1.00 0.00 H new ATOM 0 HA ILE A 169 28.982 -3.983 -12.305 1.00 0.00 H new ATOM 0 HB ILE A 169 27.967 -6.135 -10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 169 29.799 -6.481 -12.819 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.420 -6.314 -11.189 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.955 -7.076 -12.473 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.331 -5.444 -12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 169 27.564 -5.683 -13.399 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.170 -8.707 -11.790 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.070 -8.282 -10.458 1.00 0.00 H new ATOM 0 HD13 ILE A 169 28.439 -8.451 -12.113 1.00 0.00 H new ATOM 488 N ALA A 170 27.213 -3.480 -9.553 1.00 0.00 N ATOM 489 CA ALA A 170 26.092 -2.765 -8.969 1.00 0.00 C ATOM 490 C ALA A 170 26.150 -1.276 -9.328 1.00 0.00 C ATOM 491 O ALA A 170 25.109 -0.653 -9.508 1.00 0.00 O ATOM 492 CB ALA A 170 26.104 -2.970 -7.448 1.00 0.00 C ATOM 0 H ALA A 170 27.788 -3.971 -8.868 1.00 0.00 H new ATOM 0 HA ALA A 170 25.160 -3.159 -9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.265 -2.436 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.018 -4.033 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.038 -2.587 -7.037 1.00 0.00 H new ATOM 498 N LYS A 171 27.360 -0.700 -9.441 1.00 0.00 N ATOM 499 CA LYS A 171 27.502 0.712 -9.801 1.00 0.00 C ATOM 500 C LYS A 171 26.872 0.969 -11.174 1.00 0.00 C ATOM 501 O LYS A 171 26.336 2.048 -11.416 1.00 0.00 O ATOM 502 CB LYS A 171 28.980 1.119 -9.820 1.00 0.00 C ATOM 503 CG LYS A 171 29.602 0.947 -8.432 1.00 0.00 C ATOM 504 CD LYS A 171 30.943 1.691 -8.385 1.00 0.00 C ATOM 505 CE LYS A 171 31.598 1.523 -7.009 1.00 0.00 C ATOM 506 NZ LYS A 171 32.201 0.187 -6.864 1.00 0.00 N ATOM 0 H LYS A 171 28.242 -1.189 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 171 26.986 1.313 -9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.521 0.511 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.073 2.157 -10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.929 1.337 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.751 -0.111 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.606 1.308 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.787 2.749 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.364 2.287 -6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.853 1.675 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.592 0.085 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.475 -0.541 -7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.963 0.072 -7.562 1.00 0.00 H new ATOM 520 N LEU A 172 26.942 -0.026 -12.072 1.00 0.00 N ATOM 521 CA LEU A 172 26.387 0.100 -13.415 1.00 0.00 C ATOM 522 C LEU A 172 24.856 0.065 -13.362 1.00 0.00 C ATOM 523 O LEU A 172 24.198 0.491 -14.310 1.00 0.00 O ATOM 524 CB LEU A 172 26.913 -1.038 -14.306 1.00 0.00 C ATOM 525 CG LEU A 172 28.448 -1.122 -14.244 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.924 -2.291 -15.110 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.070 0.179 -14.762 1.00 0.00 C ATOM 0 H LEU A 172 27.381 -0.927 -11.884 1.00 0.00 H new ATOM 0 HA LEU A 172 26.698 1.055 -13.838 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.480 -1.986 -13.985 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.595 -0.875 -15.336 1.00 0.00 H new ATOM 0 HG LEU A 172 28.756 -1.275 -13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.011 -2.355 -15.069 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.492 -3.220 -14.737 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.608 -2.132 -16.141 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.157 0.107 -14.713 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.763 0.343 -15.795 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.733 1.013 -14.147 1.00 0.00 H new ATOM 539 N LEU A 173 24.294 -0.446 -12.253 1.00 0.00 N ATOM 540 CA LEU A 173 22.850 -0.542 -12.074 1.00 0.00 C ATOM 541 C LEU A 173 22.451 0.154 -10.766 1.00 0.00 C ATOM 542 O LEU A 173 22.213 -0.517 -9.764 1.00 0.00 O ATOM 543 CB LEU A 173 22.447 -2.025 -12.040 1.00 0.00 C ATOM 544 CG LEU A 173 22.677 -2.683 -13.411 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.570 -4.203 -13.265 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.622 -2.199 -14.413 1.00 0.00 C ATOM 0 H LEU A 173 24.833 -0.801 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 173 22.335 -0.052 -12.901 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.027 -2.547 -11.279 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.398 -2.115 -11.759 1.00 0.00 H new ATOM 0 HG LEU A 173 23.668 -2.411 -13.775 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.732 -4.674 -14.235 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.323 -4.555 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.578 -4.464 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.795 -2.671 -15.380 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.628 -2.464 -14.052 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.692 -1.117 -14.520 1.00 0.00 H new ATOM 558 N PRO A 174 22.375 1.503 -10.767 1.00 0.00 N ATOM 559 CA PRO A 174 22.022 2.271 -9.585 1.00 0.00 C ATOM 560 C PRO A 174 20.642 1.876 -9.051 1.00 0.00 C ATOM 561 O PRO A 174 20.406 1.935 -7.847 1.00 0.00 O ATOM 562 CB PRO A 174 22.051 3.742 -10.013 1.00 0.00 C ATOM 563 CG PRO A 174 22.437 3.770 -11.497 1.00 0.00 C ATOM 564 CD PRO A 174 22.640 2.320 -11.934 1.00 0.00 C ATOM 0 HA PRO A 174 22.721 2.081 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.078 4.208 -9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.771 4.303 -9.417 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.655 4.245 -12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.348 4.349 -11.648 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.966 2.062 -12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.656 2.162 -12.297 1.00 0.00 H new ATOM 572 N GLY A 175 19.730 1.475 -9.949 1.00 0.00 N ATOM 573 CA GLY A 175 18.384 1.072 -9.561 1.00 0.00 C ATOM 574 C GLY A 175 18.397 -0.284 -8.842 1.00 0.00 C ATOM 575 O GLY A 175 17.363 -0.722 -8.340 1.00 0.00 O ATOM 0 H GLY A 175 19.908 1.424 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.949 1.829 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.750 1.012 -10.446 1.00 0.00 H new ATOM 579 N ARG A 176 19.566 -0.944 -8.797 1.00 0.00 N ATOM 580 CA ARG A 176 19.719 -2.239 -8.150 1.00 0.00 C ATOM 581 C ARG A 176 20.762 -2.124 -7.034 1.00 0.00 C ATOM 582 O ARG A 176 21.310 -1.047 -6.805 1.00 0.00 O ATOM 583 CB ARG A 176 20.159 -3.275 -9.193 1.00 0.00 C ATOM 584 CG ARG A 176 19.143 -3.353 -10.347 1.00 0.00 C ATOM 585 CD ARG A 176 17.832 -3.974 -9.854 1.00 0.00 C ATOM 586 NE ARG A 176 17.113 -4.634 -10.956 1.00 0.00 N ATOM 587 CZ ARG A 176 16.043 -5.424 -10.761 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.555 -5.603 -9.526 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.460 -6.033 -11.800 1.00 0.00 N ATOM 0 H ARG A 176 20.427 -0.587 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 176 18.771 -2.557 -7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.141 -3.010 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.257 -4.253 -8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.955 -2.356 -10.744 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.553 -3.949 -11.163 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.042 -4.698 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.201 -3.201 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 176 17.441 -4.485 -11.910 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.996 -5.139 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.743 -6.203 -9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.827 -5.898 -12.742 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.648 -6.632 -11.650 1.00 0.00 H new ATOM 603 N THR A 177 21.035 -3.240 -6.340 1.00 0.00 N ATOM 604 CA THR A 177 22.019 -3.268 -5.261 1.00 0.00 C ATOM 605 C THR A 177 22.893 -4.511 -5.399 1.00 0.00 C ATOM 606 O THR A 177 22.494 -5.487 -6.034 1.00 0.00 O ATOM 607 CB THR A 177 21.309 -3.261 -3.899 1.00 0.00 C ATOM 608 OG1 THR A 177 20.472 -4.392 -3.792 1.00 0.00 O ATOM 609 CG2 THR A 177 20.470 -1.989 -3.750 1.00 0.00 C ATOM 0 H THR A 177 20.582 -4.137 -6.513 1.00 0.00 H new ATOM 0 HA THR A 177 22.650 -2.382 -5.325 1.00 0.00 H new ATOM 0 HB THR A 177 22.060 -3.288 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.022 -4.385 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.971 -1.994 -2.781 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.118 -1.115 -3.820 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.723 -1.951 -4.543 1.00 0.00 H new ATOM 617 N ASP A 178 24.087 -4.470 -4.799 1.00 0.00 N ATOM 618 CA ASP A 178 25.027 -5.580 -4.848 1.00 0.00 C ATOM 619 C ASP A 178 24.383 -6.842 -4.274 1.00 0.00 C ATOM 620 O ASP A 178 24.517 -7.923 -4.847 1.00 0.00 O ATOM 621 CB ASP A 178 26.291 -5.206 -4.062 1.00 0.00 C ATOM 622 CG ASP A 178 25.966 -4.885 -2.607 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.308 -3.844 -2.388 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.377 -5.688 -1.743 1.00 0.00 O ATOM 0 H ASP A 178 24.423 -3.666 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 178 25.301 -5.783 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 178 27.004 -6.029 -4.104 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.770 -4.345 -4.528 1.00 0.00 H new ATOM 629 N ASN A 179 23.684 -6.704 -3.141 1.00 0.00 N ATOM 630 CA ASN A 179 23.034 -7.830 -2.495 1.00 0.00 C ATOM 631 C ASN A 179 21.956 -8.410 -3.407 1.00 0.00 C ATOM 632 O ASN A 179 21.915 -9.617 -3.621 1.00 0.00 O ATOM 633 CB ASN A 179 22.432 -7.378 -1.164 1.00 0.00 C ATOM 634 CG ASN A 179 21.812 -8.560 -0.425 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.592 -8.672 -0.338 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.655 -9.446 0.104 1.00 0.00 N ATOM 0 H ASN A 179 23.559 -5.815 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 179 23.770 -8.610 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 179 23.205 -6.921 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.674 -6.615 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 179 22.294 -10.257 0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.662 -9.313 0.007 1.00 0.00 H new ATOM 643 N ALA A 180 21.082 -7.548 -3.945 1.00 0.00 N ATOM 644 CA ALA A 180 20.005 -7.989 -4.821 1.00 0.00 C ATOM 645 C ALA A 180 20.575 -8.749 -6.017 1.00 0.00 C ATOM 646 O ALA A 180 20.099 -9.836 -6.343 1.00 0.00 O ATOM 647 CB ALA A 180 19.196 -6.779 -5.288 1.00 0.00 C ATOM 0 H ALA A 180 21.106 -6.541 -3.784 1.00 0.00 H new ATOM 0 HA ALA A 180 19.347 -8.662 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.391 -7.111 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.773 -6.268 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.847 -6.094 -5.831 1.00 0.00 H new ATOM 653 N ILE A 181 21.594 -8.176 -6.673 1.00 0.00 N ATOM 654 CA ILE A 181 22.211 -8.803 -7.833 1.00 0.00 C ATOM 655 C ILE A 181 22.810 -10.152 -7.439 1.00 0.00 C ATOM 656 O ILE A 181 22.629 -11.135 -8.150 1.00 0.00 O ATOM 657 CB ILE A 181 23.291 -7.882 -8.420 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.642 -6.614 -8.992 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.021 -8.621 -9.546 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.676 -5.489 -9.079 1.00 0.00 C ATOM 0 H ILE A 181 22.003 -7.278 -6.414 1.00 0.00 H new ATOM 0 HA ILE A 181 21.450 -8.970 -8.595 1.00 0.00 H new ATOM 0 HB ILE A 181 23.994 -7.605 -7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.233 -6.820 -9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.809 -6.305 -8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.790 -7.973 -9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.485 -9.523 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.308 -8.893 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.206 -4.594 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.065 -5.274 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.495 -5.797 -9.730 1.00 0.00 H new ATOM 672 N LYS A 182 23.526 -10.199 -6.308 1.00 0.00 N ATOM 673 CA LYS A 182 24.148 -11.430 -5.842 1.00 0.00 C ATOM 674 C LYS A 182 23.087 -12.509 -5.638 1.00 0.00 C ATOM 675 O LYS A 182 23.228 -13.611 -6.151 1.00 0.00 O ATOM 676 CB LYS A 182 24.907 -11.163 -4.538 1.00 0.00 C ATOM 677 CG LYS A 182 25.536 -12.466 -4.031 1.00 0.00 C ATOM 678 CD LYS A 182 26.330 -12.191 -2.750 1.00 0.00 C ATOM 679 CE LYS A 182 26.474 -13.482 -1.934 1.00 0.00 C ATOM 680 NZ LYS A 182 27.024 -14.580 -2.751 1.00 0.00 N ATOM 0 H LYS A 182 23.685 -9.393 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 182 24.855 -11.784 -6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.682 -10.414 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.228 -10.759 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.759 -13.205 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.192 -12.886 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.315 -11.798 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.825 -11.430 -2.156 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.125 -13.302 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.501 -13.774 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.437 -15.303 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.263 -15.005 -3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.760 -14.207 -3.384 1.00 0.00 H new ATOM 694 N ASN A 183 22.031 -12.190 -4.883 1.00 0.00 N ATOM 695 CA ASN A 183 20.962 -13.144 -4.599 1.00 0.00 C ATOM 696 C ASN A 183 20.364 -13.663 -5.906 1.00 0.00 C ATOM 697 O ASN A 183 20.196 -14.871 -6.081 1.00 0.00 O ATOM 698 CB ASN A 183 19.877 -12.465 -3.753 1.00 0.00 C ATOM 699 CG ASN A 183 20.442 -11.915 -2.445 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.485 -12.362 -1.972 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.746 -10.938 -1.862 1.00 0.00 N ATOM 0 H ASN A 183 21.896 -11.273 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 183 21.371 -13.988 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.425 -11.654 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.085 -13.181 -3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.074 -10.530 -0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.885 -10.599 -2.291 1.00 0.00 H new ATOM 708 N HIS A 184 20.045 -12.741 -6.819 1.00 0.00 N ATOM 709 CA HIS A 184 19.461 -13.082 -8.106 1.00 0.00 C ATOM 710 C HIS A 184 20.384 -14.020 -8.879 1.00 0.00 C ATOM 711 O HIS A 184 19.956 -15.088 -9.313 1.00 0.00 O ATOM 712 CB HIS A 184 19.207 -11.791 -8.884 1.00 0.00 C ATOM 713 CG HIS A 184 19.238 -11.978 -10.378 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.398 -12.859 -11.049 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.008 -11.409 -11.360 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.706 -12.767 -12.358 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.684 -11.897 -12.614 1.00 0.00 N ATOM 0 H HIS A 184 20.187 -11.740 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 184 18.516 -13.605 -7.959 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.237 -11.387 -8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.957 -11.052 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.774 -10.670 -11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.209 -13.342 -13.125 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.094 -11.651 -13.515 1.00 0.00 H new ATOM 725 N TRP A 185 21.646 -13.624 -9.055 1.00 0.00 N ATOM 726 CA TRP A 185 22.603 -14.435 -9.774 1.00 0.00 C ATOM 727 C TRP A 185 22.742 -15.789 -9.094 1.00 0.00 C ATOM 728 O TRP A 185 22.864 -16.803 -9.765 1.00 0.00 O ATOM 729 CB TRP A 185 23.950 -13.720 -9.822 1.00 0.00 C ATOM 730 CG TRP A 185 24.999 -14.449 -10.601 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.655 -15.544 -10.192 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.524 -14.161 -11.927 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.545 -15.971 -11.139 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.516 -15.141 -12.245 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.267 -13.174 -12.898 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.216 -15.132 -13.454 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.967 -13.162 -14.119 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.942 -14.136 -14.395 1.00 0.00 C ATOM 0 H TRP A 185 22.020 -12.742 -8.704 1.00 0.00 H new ATOM 0 HA TRP A 185 22.254 -14.591 -10.795 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.809 -12.731 -10.259 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.307 -13.571 -8.803 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.501 -16.027 -9.238 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.147 -16.789 -11.043 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.523 -12.416 -12.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.961 -15.887 -13.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.753 -12.397 -14.851 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.478 -14.115 -15.332 1.00 0.00 H new ATOM 749 N ASN A 186 22.720 -15.806 -7.757 1.00 0.00 N ATOM 750 CA ASN A 186 22.864 -17.039 -6.993 1.00 0.00 C ATOM 751 C ASN A 186 21.548 -17.830 -7.005 1.00 0.00 C ATOM 752 O ASN A 186 21.262 -18.561 -6.058 1.00 0.00 O ATOM 753 CB ASN A 186 23.272 -16.706 -5.541 1.00 0.00 C ATOM 754 CG ASN A 186 24.691 -16.124 -5.430 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.210 -15.971 -4.325 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.321 -15.799 -6.557 1.00 0.00 N ATOM 0 H ASN A 186 22.603 -14.971 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 186 23.640 -17.652 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.560 -15.993 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.209 -17.610 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.263 -15.410 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.861 -15.939 -7.457 1.00 0.00 H new ATOM 763 N SER A 187 20.751 -17.691 -8.075 1.00 0.00 N ATOM 764 CA SER A 187 19.484 -18.392 -8.201 1.00 0.00 C ATOM 765 C SER A 187 19.178 -18.634 -9.678 1.00 0.00 C ATOM 766 O SER A 187 18.999 -19.775 -10.096 1.00 0.00 O ATOM 767 CB SER A 187 18.369 -17.563 -7.550 1.00 0.00 C ATOM 768 OG SER A 187 18.673 -17.331 -6.192 1.00 0.00 O ATOM 0 H SER A 187 20.974 -17.090 -8.869 1.00 0.00 H new ATOM 0 HA SER A 187 19.546 -19.355 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.257 -16.614 -8.074 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.417 -18.088 -7.634 1.00 0.00 H new ATOM 0 HG SER A 187 19.192 -16.504 -6.110 1.00 0.00 H new ATOM 774 N THR A 188 19.117 -17.553 -10.463 1.00 0.00 N ATOM 775 CA THR A 188 18.799 -17.635 -11.879 1.00 0.00 C ATOM 776 C THR A 188 20.028 -18.057 -12.685 1.00 0.00 C ATOM 777 O THR A 188 19.938 -18.958 -13.516 1.00 0.00 O ATOM 778 CB THR A 188 18.284 -16.271 -12.356 1.00 0.00 C ATOM 779 OG1 THR A 188 17.269 -15.817 -11.482 1.00 0.00 O ATOM 780 CG2 THR A 188 17.715 -16.395 -13.772 1.00 0.00 C ATOM 0 H THR A 188 19.287 -16.604 -10.130 1.00 0.00 H new ATOM 0 HA THR A 188 18.026 -18.388 -12.032 1.00 0.00 H new ATOM 0 HB THR A 188 19.110 -15.560 -12.360 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.449 -14.888 -11.226 1.00 0.00 H new ATOM 0 HG21 THR A 188 17.351 -15.423 -14.104 1.00 0.00 H new ATOM 0 HG22 THR A 188 18.496 -16.741 -14.449 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.892 -17.110 -13.772 1.00 0.00 H new ATOM 788 N MET A 189 21.175 -17.398 -12.447 1.00 0.00 N ATOM 789 CA MET A 189 22.403 -17.680 -13.188 1.00 0.00 C ATOM 790 C MET A 189 23.473 -18.220 -12.241 1.00 0.00 C ATOM 791 O MET A 189 24.640 -17.841 -12.337 1.00 0.00 O ATOM 792 CB MET A 189 22.882 -16.395 -13.875 1.00 0.00 C ATOM 793 CG MET A 189 21.874 -15.970 -14.948 1.00 0.00 C ATOM 794 SD MET A 189 22.434 -14.583 -15.972 1.00 0.00 S ATOM 795 CE MET A 189 22.181 -13.231 -14.796 1.00 0.00 C ATOM 0 H MET A 189 21.271 -16.665 -11.744 1.00 0.00 H new ATOM 0 HA MET A 189 22.210 -18.438 -13.948 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.999 -15.600 -13.138 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.861 -16.557 -14.327 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.663 -16.823 -15.593 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.936 -15.697 -14.464 1.00 0.00 H new ATOM 0 HE1 MET A 189 21.360 -12.600 -15.138 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.939 -13.642 -13.816 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.091 -12.635 -14.725 1.00 0.00 H new ATOM 805 N ARG A 190 23.076 -19.107 -11.322 1.00 0.00 N ATOM 806 CA ARG A 190 23.999 -19.668 -10.347 1.00 0.00 C ATOM 807 C ARG A 190 25.106 -20.448 -11.053 1.00 0.00 C ATOM 808 O ARG A 190 26.265 -20.383 -10.647 1.00 0.00 O ATOM 809 CB ARG A 190 23.231 -20.567 -9.378 1.00 0.00 C ATOM 810 CG ARG A 190 24.131 -20.924 -8.192 1.00 0.00 C ATOM 811 CD ARG A 190 23.374 -21.833 -7.221 1.00 0.00 C ATOM 812 NE ARG A 190 22.242 -21.122 -6.607 1.00 0.00 N ATOM 813 CZ ARG A 190 21.186 -21.744 -6.051 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.137 -23.083 -5.997 1.00 0.00 N ATOM 815 NH2 ARG A 190 20.178 -21.019 -5.550 1.00 0.00 N ATOM 0 H ARG A 190 22.118 -19.448 -11.238 1.00 0.00 H new ATOM 0 HA ARG A 190 24.465 -18.860 -9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.333 -20.058 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.905 -21.474 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.032 -21.425 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.451 -20.016 -7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.011 -22.714 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.052 -22.185 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 190 22.258 -20.102 -6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 190 21.903 -23.637 -6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.333 -23.547 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 190 20.213 -20.000 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 190 19.375 -21.485 -5.127 1.00 0.00 H new