USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=9 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= 0.634 K(o=1.5,f=-1.7) USER MOD Set 1.2: A 188 THR OG1 : rot 144:sc= 0.939 USER MOD Set 1.3: A 189 MET CE :methyl 156:sc= -0.103 (180deg=-0.372) USER MOD Set 2.1: A 179 ASN : amide:sc= 0.87 K(o=2.6,f=-6.7!) USER MOD Set 2.2: A 182 LYS NZ :NH3+ 178:sc= 1.49 (180deg=-0.099) USER MOD Set 2.3: A 183 ASN : amide:sc= 0.274 K(o=2.6,f=-6.3!) USER MOD Set 3.1: A 159 HIS : no HD1:sc= -0.398 K(o=-0.63,f=-1.9) USER MOD Set 3.2: A 164 ASN : amide:sc= -0.234 X(o=-0.63,f=-0.42) USER MOD Single : A 148 THR OG1 : rot -70:sc= 1.13 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= 1.15 K(o=1.1,f=-9.5!) USER MOD Single : A 160 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0646) USER MOD Single : A 171 LYS NZ :NH3+ -159:sc= 1.25 (180deg=0.748) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.3) USER MOD Single : A 187 SER OG : rot 84:sc= 0.0283 USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.312 -9.982 -12.552 1.00 0.00 N ATOM 89 CA TRP A 147 14.366 -9.402 -13.389 1.00 0.00 C ATOM 90 C TRP A 147 13.950 -9.408 -14.868 1.00 0.00 C ATOM 91 O TRP A 147 12.853 -9.852 -15.210 1.00 0.00 O ATOM 92 CB TRP A 147 15.686 -10.163 -13.170 1.00 0.00 C ATOM 93 CG TRP A 147 16.438 -9.759 -11.941 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.279 -10.274 -10.710 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.482 -8.755 -11.807 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.141 -9.682 -9.816 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.919 -8.729 -10.446 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.110 -7.860 -12.696 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.930 -7.871 -10.001 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.126 -6.991 -12.253 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.539 -7.002 -10.914 1.00 0.00 C ATOM 0 HA TRP A 147 14.520 -8.363 -13.099 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.471 -11.230 -13.115 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.327 -10.012 -14.039 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.570 -11.048 -10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.198 -9.914 -8.824 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.808 -7.840 -13.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.237 -7.879 -8.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.591 -6.310 -12.951 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.327 -6.340 -10.586 1.00 0.00 H new ATOM 112 N THR A 148 14.831 -8.900 -15.744 1.00 0.00 N ATOM 113 CA THR A 148 14.565 -8.838 -17.176 1.00 0.00 C ATOM 114 C THR A 148 15.797 -9.306 -17.947 1.00 0.00 C ATOM 115 O THR A 148 16.922 -9.127 -17.487 1.00 0.00 O ATOM 116 CB THR A 148 14.196 -7.402 -17.576 1.00 0.00 C ATOM 117 OG1 THR A 148 15.281 -6.539 -17.309 1.00 0.00 O ATOM 118 CG2 THR A 148 12.967 -6.934 -16.793 1.00 0.00 C ATOM 0 H THR A 148 15.740 -8.525 -15.474 1.00 0.00 H new ATOM 0 HA THR A 148 13.728 -9.493 -17.418 1.00 0.00 H new ATOM 0 HB THR A 148 13.968 -7.382 -18.642 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.394 -6.446 -16.340 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.716 -5.915 -17.086 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.125 -7.592 -17.010 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.184 -6.962 -15.725 1.00 0.00 H new ATOM 126 N GLU A 149 15.576 -9.902 -19.127 1.00 0.00 N ATOM 127 CA GLU A 149 16.660 -10.396 -19.969 1.00 0.00 C ATOM 128 C GLU A 149 17.678 -9.279 -20.223 1.00 0.00 C ATOM 129 O GLU A 149 18.886 -9.516 -20.191 1.00 0.00 O ATOM 130 CB GLU A 149 16.067 -10.917 -21.288 1.00 0.00 C ATOM 131 CG GLU A 149 17.017 -11.935 -21.939 1.00 0.00 C ATOM 132 CD GLU A 149 18.279 -11.266 -22.478 1.00 0.00 C ATOM 133 OE1 GLU A 149 18.127 -10.243 -23.181 1.00 0.00 O ATOM 134 OE2 GLU A 149 19.371 -11.792 -22.176 1.00 0.00 O ATOM 0 H GLU A 149 14.646 -10.052 -19.517 1.00 0.00 H new ATOM 0 HA GLU A 149 17.181 -11.212 -19.469 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.099 -11.382 -21.100 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.894 -10.084 -21.970 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.292 -12.695 -21.208 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.501 -12.446 -22.752 1.00 0.00 H new ATOM 141 N GLU A 150 17.183 -8.060 -20.474 1.00 0.00 N ATOM 142 CA GLU A 150 18.041 -6.918 -20.749 1.00 0.00 C ATOM 143 C GLU A 150 19.032 -6.691 -19.602 1.00 0.00 C ATOM 144 O GLU A 150 20.126 -6.181 -19.829 1.00 0.00 O ATOM 145 CB GLU A 150 17.176 -5.674 -20.978 1.00 0.00 C ATOM 146 CG GLU A 150 17.987 -4.622 -21.742 1.00 0.00 C ATOM 147 CD GLU A 150 17.172 -3.360 -22.001 1.00 0.00 C ATOM 148 OE1 GLU A 150 16.032 -3.297 -21.494 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.713 -2.481 -22.707 1.00 0.00 O ATOM 0 H GLU A 150 16.186 -7.847 -20.490 1.00 0.00 H new ATOM 0 HA GLU A 150 18.621 -7.118 -21.650 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.281 -5.939 -21.541 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.843 -5.269 -20.023 1.00 0.00 H new ATOM 0 HG2 GLU A 150 18.881 -4.367 -21.172 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.322 -5.040 -22.691 1.00 0.00 H new ATOM 156 N GLU A 151 18.654 -7.074 -18.376 1.00 0.00 N ATOM 157 CA GLU A 151 19.525 -6.933 -17.219 1.00 0.00 C ATOM 158 C GLU A 151 20.407 -8.174 -17.079 1.00 0.00 C ATOM 159 O GLU A 151 21.585 -8.061 -16.746 1.00 0.00 O ATOM 160 CB GLU A 151 18.682 -6.744 -15.962 1.00 0.00 C ATOM 161 CG GLU A 151 18.022 -5.364 -15.964 1.00 0.00 C ATOM 162 CD GLU A 151 17.107 -5.210 -14.756 1.00 0.00 C ATOM 163 OE1 GLU A 151 16.046 -5.876 -14.753 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.483 -4.436 -13.850 1.00 0.00 O ATOM 0 H GLU A 151 17.744 -7.485 -18.167 1.00 0.00 H new ATOM 0 HA GLU A 151 20.164 -6.060 -17.353 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.918 -7.519 -15.909 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.308 -6.853 -15.077 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.787 -4.588 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.449 -5.229 -16.881 1.00 0.00 H new ATOM 171 N ASP A 152 19.834 -9.362 -17.329 1.00 0.00 N ATOM 172 CA ASP A 152 20.573 -10.614 -17.222 1.00 0.00 C ATOM 173 C ASP A 152 21.851 -10.542 -18.053 1.00 0.00 C ATOM 174 O ASP A 152 22.924 -10.871 -17.557 1.00 0.00 O ATOM 175 CB ASP A 152 19.700 -11.781 -17.694 1.00 0.00 C ATOM 176 CG ASP A 152 18.623 -12.119 -16.671 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.994 -12.684 -15.622 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.447 -11.815 -16.962 1.00 0.00 O ATOM 0 H ASP A 152 18.859 -9.474 -17.607 1.00 0.00 H new ATOM 0 HA ASP A 152 20.843 -10.777 -16.178 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.233 -11.526 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.325 -12.657 -17.870 1.00 0.00 H new ATOM 183 N ARG A 153 21.737 -10.115 -19.319 1.00 0.00 N ATOM 184 CA ARG A 153 22.892 -10.030 -20.205 1.00 0.00 C ATOM 185 C ARG A 153 23.953 -9.080 -19.629 1.00 0.00 C ATOM 186 O ARG A 153 25.147 -9.329 -19.786 1.00 0.00 O ATOM 187 CB ARG A 153 22.448 -9.592 -21.612 1.00 0.00 C ATOM 188 CG ARG A 153 21.859 -8.180 -21.583 1.00 0.00 C ATOM 189 CD ARG A 153 21.353 -7.804 -22.979 1.00 0.00 C ATOM 190 NE ARG A 153 20.818 -6.434 -23.000 1.00 0.00 N ATOM 191 CZ ARG A 153 21.593 -5.332 -22.987 1.00 0.00 C ATOM 192 NH1 ARG A 153 22.928 -5.445 -22.991 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.027 -4.116 -22.972 1.00 0.00 N ATOM 0 H ARG A 153 20.857 -9.825 -19.745 1.00 0.00 H new ATOM 0 HA ARG A 153 23.348 -11.017 -20.285 1.00 0.00 H new ATOM 0 HB2 ARG A 153 23.299 -9.622 -22.292 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.707 -10.292 -21.998 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.041 -8.131 -20.864 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.615 -7.467 -21.255 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.167 -7.890 -23.699 1.00 0.00 H new ATOM 0 HD3 ARG A 153 20.578 -8.505 -23.289 1.00 0.00 H new ATOM 0 HE ARG A 153 19.806 -6.312 -23.026 1.00 0.00 H new ATOM 0 HH11 ARG A 153 23.362 -6.368 -23.004 1.00 0.00 H new ATOM 0 HH12 ARG A 153 23.511 -4.608 -22.981 1.00 0.00 H new ATOM 0 HH21 ARG A 153 20.011 -4.026 -22.970 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.613 -3.281 -22.962 1.00 0.00 H new ATOM 207 N ILE A 154 23.525 -7.994 -18.960 1.00 0.00 N ATOM 208 CA ILE A 154 24.459 -7.034 -18.378 1.00 0.00 C ATOM 209 C ILE A 154 25.248 -7.710 -17.264 1.00 0.00 C ATOM 210 O ILE A 154 26.477 -7.657 -17.253 1.00 0.00 O ATOM 211 CB ILE A 154 23.699 -5.805 -17.833 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.991 -5.058 -18.983 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.680 -4.864 -17.121 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.987 -4.227 -19.802 1.00 0.00 C ATOM 0 H ILE A 154 22.542 -7.767 -18.814 1.00 0.00 H new ATOM 0 HA ILE A 154 25.149 -6.691 -19.149 1.00 0.00 H new ATOM 0 HB ILE A 154 22.945 -6.143 -17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.492 -5.776 -19.633 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.218 -4.406 -18.575 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.140 -3.998 -16.738 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.154 -5.391 -16.293 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.443 -4.533 -17.825 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.458 -3.713 -20.605 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.467 -3.493 -19.155 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.744 -4.884 -20.229 1.00 0.00 H new ATOM 226 N ILE A 155 24.537 -8.344 -16.327 1.00 0.00 N ATOM 227 CA ILE A 155 25.166 -9.013 -15.199 1.00 0.00 C ATOM 228 C ILE A 155 26.095 -10.116 -15.698 1.00 0.00 C ATOM 229 O ILE A 155 27.216 -10.231 -15.226 1.00 0.00 O ATOM 230 CB ILE A 155 24.085 -9.594 -14.274 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.232 -8.458 -13.689 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.754 -10.369 -13.129 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.894 -9.012 -13.201 1.00 0.00 C ATOM 0 H ILE A 155 23.519 -8.404 -16.334 1.00 0.00 H new ATOM 0 HA ILE A 155 25.759 -8.292 -14.636 1.00 0.00 H new ATOM 0 HB ILE A 155 23.446 -10.265 -14.848 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.761 -7.982 -12.864 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.064 -7.691 -14.445 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.988 -10.781 -12.472 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.354 -11.180 -13.541 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.395 -9.696 -12.560 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.294 -8.202 -12.787 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.362 -9.467 -14.036 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.070 -9.763 -12.431 1.00 0.00 H new ATOM 245 N TYR A 156 25.622 -10.930 -16.646 1.00 0.00 N ATOM 246 CA TYR A 156 26.399 -12.044 -17.171 1.00 0.00 C ATOM 247 C TYR A 156 27.697 -11.549 -17.810 1.00 0.00 C ATOM 248 O TYR A 156 28.774 -12.044 -17.481 1.00 0.00 O ATOM 249 CB TYR A 156 25.548 -12.822 -18.182 1.00 0.00 C ATOM 250 CG TYR A 156 25.918 -14.286 -18.272 1.00 0.00 C ATOM 251 CD1 TYR A 156 27.050 -14.686 -19.002 1.00 0.00 C ATOM 252 CD2 TYR A 156 25.125 -15.251 -17.622 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.389 -16.048 -19.083 1.00 0.00 C ATOM 254 CE2 TYR A 156 25.465 -16.611 -17.703 1.00 0.00 C ATOM 255 CZ TYR A 156 26.596 -17.009 -18.434 1.00 0.00 C ATOM 256 OH TYR A 156 26.925 -18.329 -18.515 1.00 0.00 O ATOM 0 H TYR A 156 24.697 -10.833 -17.065 1.00 0.00 H new ATOM 0 HA TYR A 156 26.673 -12.709 -16.352 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.497 -12.736 -17.905 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.657 -12.365 -19.166 1.00 0.00 H new ATOM 0 HD1 TYR A 156 27.660 -13.947 -19.501 1.00 0.00 H new ATOM 0 HD2 TYR A 156 24.255 -14.945 -17.061 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.259 -16.355 -19.644 1.00 0.00 H new ATOM 0 HE2 TYR A 156 24.857 -17.351 -17.203 1.00 0.00 H new ATOM 0 HH TYR A 156 26.275 -18.860 -18.010 1.00 0.00 H new ATOM 266 N GLN A 157 27.598 -10.577 -18.725 1.00 0.00 N ATOM 267 CA GLN A 157 28.767 -10.043 -19.410 1.00 0.00 C ATOM 268 C GLN A 157 29.733 -9.427 -18.398 1.00 0.00 C ATOM 269 O GLN A 157 30.921 -9.753 -18.390 1.00 0.00 O ATOM 270 CB GLN A 157 28.317 -8.995 -20.436 1.00 0.00 C ATOM 271 CG GLN A 157 29.505 -8.588 -21.317 1.00 0.00 C ATOM 272 CD GLN A 157 29.182 -7.340 -22.131 1.00 0.00 C ATOM 273 OE1 GLN A 157 29.860 -6.322 -22.005 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.149 -7.418 -22.968 1.00 0.00 N ATOM 0 H GLN A 157 26.716 -10.148 -19.004 1.00 0.00 H new ATOM 0 HA GLN A 157 29.287 -10.848 -19.929 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.515 -9.399 -21.054 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.915 -8.120 -19.924 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.379 -8.402 -20.692 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.762 -9.408 -21.988 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.615 -8.284 -23.039 1.00 0.00 H new ATOM 0 HE22 GLN A 157 27.892 -6.612 -23.538 1.00 0.00 H new ATOM 283 N ALA A 158 29.219 -8.530 -17.551 1.00 0.00 N ATOM 284 CA ALA A 158 30.029 -7.845 -16.558 1.00 0.00 C ATOM 285 C ALA A 158 30.664 -8.844 -15.590 1.00 0.00 C ATOM 286 O ALA A 158 31.800 -8.652 -15.169 1.00 0.00 O ATOM 287 CB ALA A 158 29.154 -6.846 -15.805 1.00 0.00 C ATOM 0 H ALA A 158 28.234 -8.264 -17.540 1.00 0.00 H new ATOM 0 HA ALA A 158 30.838 -7.313 -17.059 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.754 -6.327 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.743 -6.121 -16.507 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.339 -7.376 -15.312 1.00 0.00 H new ATOM 293 N HIS A 159 29.935 -9.909 -15.237 1.00 0.00 N ATOM 294 CA HIS A 159 30.442 -10.916 -14.319 1.00 0.00 C ATOM 295 C HIS A 159 31.581 -11.692 -14.972 1.00 0.00 C ATOM 296 O HIS A 159 32.619 -11.895 -14.361 1.00 0.00 O ATOM 297 CB HIS A 159 29.313 -11.865 -13.905 1.00 0.00 C ATOM 298 CG HIS A 159 29.799 -12.971 -13.006 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.473 -14.088 -13.488 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.737 -13.157 -11.649 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.768 -14.853 -12.420 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.345 -14.342 -11.264 1.00 0.00 N ATOM 0 H HIS A 159 28.991 -10.089 -15.578 1.00 0.00 H new ATOM 0 HA HIS A 159 30.826 -10.423 -13.426 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.535 -11.299 -13.393 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.859 -12.297 -14.797 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.271 -12.465 -10.963 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.297 -15.792 -12.493 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.444 -14.728 -10.325 1.00 0.00 H new ATOM 310 N LYS A 160 31.388 -12.130 -16.215 1.00 0.00 N ATOM 311 CA LYS A 160 32.411 -12.880 -16.925 1.00 0.00 C ATOM 312 C LYS A 160 33.663 -12.014 -17.103 1.00 0.00 C ATOM 313 O LYS A 160 34.781 -12.524 -17.080 1.00 0.00 O ATOM 314 CB LYS A 160 31.853 -13.329 -18.281 1.00 0.00 C ATOM 315 CG LYS A 160 32.746 -14.426 -18.879 1.00 0.00 C ATOM 316 CD LYS A 160 32.399 -14.640 -20.361 1.00 0.00 C ATOM 317 CE LYS A 160 31.051 -15.363 -20.504 1.00 0.00 C ATOM 318 NZ LYS A 160 31.166 -16.794 -20.161 1.00 0.00 N ATOM 0 H LYS A 160 30.532 -11.976 -16.747 1.00 0.00 H new ATOM 0 HA LYS A 160 32.692 -13.763 -16.351 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.836 -13.702 -18.160 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.801 -12.479 -18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.795 -14.146 -18.780 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.611 -15.357 -18.328 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.358 -13.678 -20.873 1.00 0.00 H new ATOM 0 HD3 LYS A 160 33.183 -15.224 -20.843 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.313 -14.891 -19.856 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.689 -15.261 -21.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 30.283 -17.283 -20.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 31.957 -17.215 -20.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.339 -16.894 -19.140 1.00 0.00 H new ATOM 332 N ARG A 161 33.465 -10.704 -17.283 1.00 0.00 N ATOM 333 CA ARG A 161 34.560 -9.769 -17.483 1.00 0.00 C ATOM 334 C ARG A 161 35.305 -9.501 -16.168 1.00 0.00 C ATOM 335 O ARG A 161 36.531 -9.574 -16.132 1.00 0.00 O ATOM 336 CB ARG A 161 33.985 -8.470 -18.060 1.00 0.00 C ATOM 337 CG ARG A 161 35.111 -7.468 -18.340 1.00 0.00 C ATOM 338 CD ARG A 161 34.539 -6.246 -19.062 1.00 0.00 C ATOM 339 NE ARG A 161 34.136 -6.594 -20.438 1.00 0.00 N ATOM 340 CZ ARG A 161 32.910 -6.351 -20.957 1.00 0.00 C ATOM 341 NH1 ARG A 161 31.985 -5.667 -20.267 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.613 -6.800 -22.182 1.00 0.00 N ATOM 0 H ARG A 161 32.542 -10.270 -17.293 1.00 0.00 H new ATOM 0 HA ARG A 161 35.283 -10.195 -18.178 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.441 -8.682 -18.980 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.270 -8.038 -17.360 1.00 0.00 H new ATOM 0 HG2 ARG A 161 35.582 -7.164 -17.405 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.884 -7.935 -18.950 1.00 0.00 H new ATOM 0 HD2 ARG A 161 33.680 -5.862 -18.512 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.284 -5.450 -19.086 1.00 0.00 H new ATOM 0 HE ARG A 161 34.826 -7.047 -21.037 1.00 0.00 H new ATOM 0 HH11 ARG A 161 32.200 -5.319 -19.333 1.00 0.00 H new ATOM 0 HH12 ARG A 161 31.067 -5.495 -20.677 1.00 0.00 H new ATOM 0 HH21 ARG A 161 33.308 -7.321 -22.717 1.00 0.00 H new ATOM 0 HH22 ARG A 161 31.691 -6.621 -22.581 1.00 0.00 H new ATOM 356 N LEU A 162 34.564 -9.173 -15.099 1.00 0.00 N ATOM 357 CA LEU A 162 35.162 -8.827 -13.811 1.00 0.00 C ATOM 358 C LEU A 162 35.173 -10.035 -12.871 1.00 0.00 C ATOM 359 O LEU A 162 36.238 -10.492 -12.463 1.00 0.00 O ATOM 360 CB LEU A 162 34.376 -7.662 -13.181 1.00 0.00 C ATOM 361 CG LEU A 162 34.341 -6.452 -14.131 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.415 -5.385 -13.548 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.748 -5.867 -14.297 1.00 0.00 C ATOM 0 H LEU A 162 33.545 -9.142 -15.107 1.00 0.00 H new ATOM 0 HA LEU A 162 36.196 -8.522 -13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.359 -7.983 -12.955 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.837 -7.375 -12.236 1.00 0.00 H new ATOM 0 HG LEU A 162 33.974 -6.773 -15.106 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.385 -4.524 -14.216 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.411 -5.795 -13.439 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.787 -5.074 -12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.709 -5.012 -14.972 1.00 0.00 H new ATOM 0 HD22 LEU A 162 36.126 -5.547 -13.326 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.411 -6.626 -14.712 1.00 0.00 H new ATOM 375 N GLY A 163 33.984 -10.536 -12.520 1.00 0.00 N ATOM 376 CA GLY A 163 33.840 -11.659 -11.603 1.00 0.00 C ATOM 377 C GLY A 163 32.642 -11.413 -10.697 1.00 0.00 C ATOM 378 O GLY A 163 31.636 -10.863 -11.139 1.00 0.00 O ATOM 0 H GLY A 163 33.097 -10.170 -12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.705 -12.585 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.745 -11.775 -11.006 1.00 0.00 H new ATOM 382 N ASN A 164 32.750 -11.804 -9.420 1.00 0.00 N ATOM 383 CA ASN A 164 31.669 -11.599 -8.456 1.00 0.00 C ATOM 384 C ASN A 164 31.730 -10.174 -7.897 1.00 0.00 C ATOM 385 O ASN A 164 31.265 -9.926 -6.785 1.00 0.00 O ATOM 386 CB ASN A 164 31.779 -12.619 -7.312 1.00 0.00 C ATOM 387 CG ASN A 164 32.077 -14.023 -7.833 1.00 0.00 C ATOM 388 OD1 ASN A 164 31.162 -14.789 -8.127 1.00 0.00 O ATOM 389 ND2 ASN A 164 33.364 -14.362 -7.944 1.00 0.00 N ATOM 0 H ASN A 164 33.575 -12.263 -9.034 1.00 0.00 H new ATOM 0 HA ASN A 164 30.714 -11.741 -8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.567 -12.311 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.848 -12.631 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 164 33.620 -15.289 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 164 34.091 -13.694 -7.688 1.00 0.00 H new ATOM 396 N ARG A 165 32.305 -9.236 -8.664 1.00 0.00 N ATOM 397 CA ARG A 165 32.420 -7.856 -8.235 1.00 0.00 C ATOM 398 C ARG A 165 31.091 -7.147 -8.458 1.00 0.00 C ATOM 399 O ARG A 165 30.963 -6.324 -9.367 1.00 0.00 O ATOM 400 CB ARG A 165 33.543 -7.162 -9.013 1.00 0.00 C ATOM 401 CG ARG A 165 34.902 -7.753 -8.614 1.00 0.00 C ATOM 402 CD ARG A 165 35.999 -6.705 -8.818 1.00 0.00 C ATOM 403 NE ARG A 165 35.858 -5.608 -7.842 1.00 0.00 N ATOM 404 CZ ARG A 165 35.790 -4.305 -8.185 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.206 -3.892 -9.389 1.00 0.00 N ATOM 406 NH2 ARG A 165 35.298 -3.416 -7.316 1.00 0.00 N ATOM 0 H ARG A 165 32.696 -9.421 -9.588 1.00 0.00 H new ATOM 0 HA ARG A 165 32.665 -7.819 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.384 -7.285 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.529 -6.091 -8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.879 -8.072 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.115 -8.638 -9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.979 -7.171 -8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.945 -6.307 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 165 35.809 -5.848 -6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 165 36.579 -4.565 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.150 -2.904 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 165 34.976 -3.724 -6.398 1.00 0.00 H new ATOM 0 HH22 ARG A 165 35.245 -2.430 -7.571 1.00 0.00 H new ATOM 420 N TRP A 166 30.099 -7.466 -7.620 1.00 0.00 N ATOM 421 CA TRP A 166 28.788 -6.848 -7.714 1.00 0.00 C ATOM 422 C TRP A 166 28.901 -5.354 -7.457 1.00 0.00 C ATOM 423 O TRP A 166 27.991 -4.625 -7.770 1.00 0.00 O ATOM 424 CB TRP A 166 27.819 -7.487 -6.722 1.00 0.00 C ATOM 425 CG TRP A 166 27.980 -8.957 -6.553 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.399 -9.550 -5.438 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.741 -10.038 -7.505 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.458 -10.915 -5.591 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.057 -11.278 -6.864 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.292 -10.106 -8.843 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.938 -12.509 -7.513 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.168 -11.349 -9.502 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.494 -12.546 -8.838 1.00 0.00 C ATOM 0 H TRP A 166 30.187 -8.151 -6.870 1.00 0.00 H new ATOM 0 HA TRP A 166 28.398 -7.006 -8.720 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.946 -7.008 -5.751 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.799 -7.282 -7.048 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.659 -9.027 -4.530 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.756 -11.569 -4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.041 -9.196 -9.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.187 -13.424 -6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.820 -11.381 -10.524 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.401 -13.492 -9.351 1.00 0.00 H new ATOM 444 N ALA A 167 30.027 -4.898 -6.894 1.00 0.00 N ATOM 445 CA ALA A 167 30.245 -3.483 -6.659 1.00 0.00 C ATOM 446 C ALA A 167 30.146 -2.728 -7.984 1.00 0.00 C ATOM 447 O ALA A 167 29.424 -1.740 -8.085 1.00 0.00 O ATOM 448 CB ALA A 167 31.620 -3.281 -6.021 1.00 0.00 C ATOM 0 H ALA A 167 30.797 -5.497 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 167 29.486 -3.095 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.786 -2.218 -5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.664 -3.818 -5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.391 -3.662 -6.690 1.00 0.00 H new ATOM 454 N GLU A 168 30.875 -3.202 -9.001 1.00 0.00 N ATOM 455 CA GLU A 168 30.883 -2.566 -10.309 1.00 0.00 C ATOM 456 C GLU A 168 29.541 -2.784 -11.007 1.00 0.00 C ATOM 457 O GLU A 168 28.964 -1.840 -11.542 1.00 0.00 O ATOM 458 CB GLU A 168 32.031 -3.132 -11.154 1.00 0.00 C ATOM 459 CG GLU A 168 33.365 -3.033 -10.394 1.00 0.00 C ATOM 460 CD GLU A 168 33.666 -1.604 -9.943 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.305 -0.674 -10.695 1.00 0.00 O ATOM 462 OE2 GLU A 168 34.258 -1.467 -8.849 1.00 0.00 O ATOM 0 H GLU A 168 31.468 -4.029 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 168 31.036 -1.494 -10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.826 -4.173 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.101 -2.585 -12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.335 -3.689 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 168 34.173 -3.389 -11.033 1.00 0.00 H new ATOM 469 N ILE A 169 29.043 -4.027 -11.005 1.00 0.00 N ATOM 470 CA ILE A 169 27.767 -4.346 -11.643 1.00 0.00 C ATOM 471 C ILE A 169 26.649 -3.500 -11.013 1.00 0.00 C ATOM 472 O ILE A 169 25.749 -3.032 -11.709 1.00 0.00 O ATOM 473 CB ILE A 169 27.475 -5.851 -11.492 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.597 -6.674 -12.153 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.141 -6.183 -12.174 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.663 -8.075 -11.536 1.00 0.00 C ATOM 0 H ILE A 169 29.506 -4.824 -10.569 1.00 0.00 H new ATOM 0 HA ILE A 169 27.817 -4.111 -12.706 1.00 0.00 H new ATOM 0 HB ILE A 169 27.422 -6.098 -10.432 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.418 -6.750 -13.226 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.553 -6.167 -12.024 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.933 -7.248 -12.068 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.341 -5.609 -11.707 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.200 -5.929 -13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.460 -8.645 -12.013 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.864 -7.993 -10.468 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.712 -8.585 -11.688 1.00 0.00 H new ATOM 488 N ALA A 170 26.720 -3.310 -9.693 1.00 0.00 N ATOM 489 CA ALA A 170 25.739 -2.535 -8.950 1.00 0.00 C ATOM 490 C ALA A 170 25.888 -1.051 -9.293 1.00 0.00 C ATOM 491 O ALA A 170 24.893 -0.356 -9.461 1.00 0.00 O ATOM 492 CB ALA A 170 25.924 -2.784 -7.444 1.00 0.00 C ATOM 0 H ALA A 170 27.466 -3.694 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 170 24.731 -2.845 -9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.189 -2.203 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.787 -3.844 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.928 -2.481 -7.146 1.00 0.00 H new ATOM 498 N LYS A 171 27.133 -0.564 -9.411 1.00 0.00 N ATOM 499 CA LYS A 171 27.381 0.826 -9.780 1.00 0.00 C ATOM 500 C LYS A 171 26.777 1.102 -11.161 1.00 0.00 C ATOM 501 O LYS A 171 26.168 2.148 -11.376 1.00 0.00 O ATOM 502 CB LYS A 171 28.890 1.102 -9.793 1.00 0.00 C ATOM 503 CG LYS A 171 29.392 1.359 -8.367 1.00 0.00 C ATOM 504 CD LYS A 171 30.901 1.081 -8.278 1.00 0.00 C ATOM 505 CE LYS A 171 31.677 2.034 -9.196 1.00 0.00 C ATOM 506 NZ LYS A 171 33.102 1.660 -9.259 1.00 0.00 N ATOM 0 H LYS A 171 27.977 -1.115 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 171 26.914 1.486 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.419 0.253 -10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.104 1.965 -10.423 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.187 2.391 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.855 0.722 -7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.239 1.202 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.104 0.048 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.247 2.012 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.581 3.056 -8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.662 2.479 -9.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.424 1.359 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.226 0.878 -9.933 1.00 0.00 H new ATOM 520 N LEU A 172 26.951 0.154 -12.093 1.00 0.00 N ATOM 521 CA LEU A 172 26.426 0.285 -13.447 1.00 0.00 C ATOM 522 C LEU A 172 24.894 0.240 -13.436 1.00 0.00 C ATOM 523 O LEU A 172 24.258 0.795 -14.330 1.00 0.00 O ATOM 524 CB LEU A 172 26.990 -0.842 -14.323 1.00 0.00 C ATOM 525 CG LEU A 172 28.490 -0.620 -14.581 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.131 -1.937 -15.022 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.682 0.429 -15.682 1.00 0.00 C ATOM 0 H LEU A 172 27.456 -0.716 -11.925 1.00 0.00 H new ATOM 0 HA LEU A 172 26.733 1.247 -13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.837 -1.804 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.453 -0.878 -15.271 1.00 0.00 H new ATOM 0 HG LEU A 172 28.961 -0.269 -13.663 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.194 -1.781 -15.205 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.004 -2.684 -14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.653 -2.286 -15.937 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.747 0.580 -15.859 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.207 0.084 -16.600 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.228 1.370 -15.371 1.00 0.00 H new ATOM 539 N LEU A 173 24.307 -0.421 -12.423 1.00 0.00 N ATOM 540 CA LEU A 173 22.857 -0.532 -12.290 1.00 0.00 C ATOM 541 C LEU A 173 22.419 0.083 -10.953 1.00 0.00 C ATOM 542 O LEU A 173 22.177 -0.649 -9.997 1.00 0.00 O ATOM 543 CB LEU A 173 22.453 -2.015 -12.354 1.00 0.00 C ATOM 544 CG LEU A 173 22.829 -2.629 -13.714 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.632 -4.146 -13.652 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.941 -2.049 -14.821 1.00 0.00 C ATOM 0 H LEU A 173 24.827 -0.889 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 173 22.367 0.005 -13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.947 -2.565 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.379 -2.111 -12.192 1.00 0.00 H new ATOM 0 HG LEU A 173 23.870 -2.395 -13.935 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.897 -4.587 -14.613 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.269 -4.564 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.589 -4.369 -13.426 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.217 -2.491 -15.778 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.897 -2.274 -14.605 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.077 -0.969 -14.868 1.00 0.00 H new ATOM 558 N PRO A 174 22.317 1.431 -10.877 1.00 0.00 N ATOM 559 CA PRO A 174 21.938 2.124 -9.654 1.00 0.00 C ATOM 560 C PRO A 174 20.583 1.643 -9.128 1.00 0.00 C ATOM 561 O PRO A 174 20.365 1.617 -7.919 1.00 0.00 O ATOM 562 CB PRO A 174 21.898 3.614 -10.010 1.00 0.00 C ATOM 563 CG PRO A 174 22.309 3.736 -11.482 1.00 0.00 C ATOM 564 CD PRO A 174 22.578 2.320 -11.990 1.00 0.00 C ATOM 0 HA PRO A 174 22.652 1.924 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.899 4.021 -9.854 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.576 4.181 -9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.520 4.211 -12.065 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.199 4.358 -11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.934 2.082 -12.837 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.607 2.220 -12.334 1.00 0.00 H new ATOM 572 N GLY A 175 19.673 1.262 -10.035 1.00 0.00 N ATOM 573 CA GLY A 175 18.352 0.779 -9.652 1.00 0.00 C ATOM 574 C GLY A 175 18.452 -0.549 -8.891 1.00 0.00 C ATOM 575 O GLY A 175 17.496 -0.958 -8.236 1.00 0.00 O ATOM 0 H GLY A 175 19.835 1.282 -11.042 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.855 1.523 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.737 0.647 -10.542 1.00 0.00 H new ATOM 579 N ARG A 176 19.612 -1.217 -8.986 1.00 0.00 N ATOM 580 CA ARG A 176 19.848 -2.491 -8.323 1.00 0.00 C ATOM 581 C ARG A 176 20.894 -2.304 -7.220 1.00 0.00 C ATOM 582 O ARG A 176 21.456 -1.220 -7.074 1.00 0.00 O ATOM 583 CB ARG A 176 20.330 -3.514 -9.360 1.00 0.00 C ATOM 584 CG ARG A 176 19.327 -3.615 -10.523 1.00 0.00 C ATOM 585 CD ARG A 176 18.000 -4.195 -10.024 1.00 0.00 C ATOM 586 NE ARG A 176 17.184 -4.678 -11.146 1.00 0.00 N ATOM 587 CZ ARG A 176 16.067 -5.406 -10.982 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.616 -5.677 -9.749 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.403 -5.863 -12.050 1.00 0.00 N ATOM 0 H ARG A 176 20.408 -0.881 -9.528 1.00 0.00 H new ATOM 0 HA ARG A 176 18.927 -2.856 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.309 -3.222 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.449 -4.490 -8.889 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.162 -2.629 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.735 -4.247 -11.312 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.194 -5.014 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.451 -3.433 -9.471 1.00 0.00 H new ATOM 0 HE ARG A 176 17.480 -4.450 -12.095 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.121 -5.330 -8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.768 -6.230 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.745 -5.659 -12.989 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.555 -6.416 -11.925 1.00 0.00 H new ATOM 603 N THR A 177 21.151 -3.366 -6.443 1.00 0.00 N ATOM 604 CA THR A 177 22.121 -3.320 -5.352 1.00 0.00 C ATOM 605 C THR A 177 22.940 -4.610 -5.331 1.00 0.00 C ATOM 606 O THR A 177 22.504 -5.633 -5.861 1.00 0.00 O ATOM 607 CB THR A 177 21.385 -3.127 -4.018 1.00 0.00 C ATOM 608 OG1 THR A 177 20.346 -4.076 -3.908 1.00 0.00 O ATOM 609 CG2 THR A 177 20.793 -1.718 -3.944 1.00 0.00 C ATOM 0 H THR A 177 20.694 -4.271 -6.556 1.00 0.00 H new ATOM 0 HA THR A 177 22.800 -2.481 -5.503 1.00 0.00 H new ATOM 0 HB THR A 177 22.094 -3.262 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.879 -3.952 -3.055 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.273 -1.591 -2.994 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.594 -0.982 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 177 20.090 -1.575 -4.764 1.00 0.00 H new ATOM 617 N ASP A 178 24.129 -4.550 -4.712 1.00 0.00 N ATOM 618 CA ASP A 178 25.036 -5.689 -4.618 1.00 0.00 C ATOM 619 C ASP A 178 24.299 -6.945 -4.159 1.00 0.00 C ATOM 620 O ASP A 178 24.359 -7.972 -4.825 1.00 0.00 O ATOM 621 CB ASP A 178 26.161 -5.360 -3.629 1.00 0.00 C ATOM 622 CG ASP A 178 27.020 -4.208 -4.127 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.462 -3.096 -4.257 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.220 -4.461 -4.363 1.00 0.00 O ATOM 0 H ASP A 178 24.483 -3.705 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 178 25.452 -5.883 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.732 -5.103 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.784 -6.242 -3.478 1.00 0.00 H new ATOM 629 N ASN A 179 23.615 -6.862 -3.012 1.00 0.00 N ATOM 630 CA ASN A 179 22.909 -8.006 -2.447 1.00 0.00 C ATOM 631 C ASN A 179 21.842 -8.524 -3.408 1.00 0.00 C ATOM 632 O ASN A 179 21.701 -9.731 -3.570 1.00 0.00 O ATOM 633 CB ASN A 179 22.282 -7.616 -1.104 1.00 0.00 C ATOM 634 CG ASN A 179 23.271 -7.836 0.039 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.750 -8.954 0.240 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.577 -6.775 0.785 1.00 0.00 N ATOM 0 H ASN A 179 23.538 -6.008 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 179 23.626 -8.811 -2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.976 -6.570 -1.130 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.383 -8.207 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.233 -6.869 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.155 -5.869 0.581 1.00 0.00 H new ATOM 643 N ALA A 180 21.089 -7.620 -4.042 1.00 0.00 N ATOM 644 CA ALA A 180 20.033 -8.015 -4.966 1.00 0.00 C ATOM 645 C ALA A 180 20.618 -8.835 -6.118 1.00 0.00 C ATOM 646 O ALA A 180 20.124 -9.919 -6.417 1.00 0.00 O ATOM 647 CB ALA A 180 19.318 -6.771 -5.494 1.00 0.00 C ATOM 0 H ALA A 180 21.194 -6.612 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 180 19.309 -8.637 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.529 -7.070 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.881 -6.221 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.033 -6.134 -6.014 1.00 0.00 H new ATOM 653 N ILE A 181 21.669 -8.312 -6.761 1.00 0.00 N ATOM 654 CA ILE A 181 22.306 -8.987 -7.887 1.00 0.00 C ATOM 655 C ILE A 181 22.929 -10.305 -7.422 1.00 0.00 C ATOM 656 O ILE A 181 22.731 -11.341 -8.049 1.00 0.00 O ATOM 657 CB ILE A 181 23.381 -8.071 -8.496 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.738 -6.782 -9.032 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.078 -8.801 -9.649 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.757 -5.643 -8.998 1.00 0.00 C ATOM 0 H ILE A 181 22.095 -7.418 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 181 21.557 -9.207 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 181 24.106 -7.816 -7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.386 -6.937 -10.052 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.867 -6.521 -8.430 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.840 -8.153 -10.082 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.546 -9.711 -9.274 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.344 -9.059 -10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.297 -4.731 -9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.088 -5.481 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.614 -5.903 -9.619 1.00 0.00 H new ATOM 672 N LYS A 182 23.685 -10.251 -6.323 1.00 0.00 N ATOM 673 CA LYS A 182 24.358 -11.415 -5.764 1.00 0.00 C ATOM 674 C LYS A 182 23.356 -12.543 -5.511 1.00 0.00 C ATOM 675 O LYS A 182 23.538 -13.659 -5.994 1.00 0.00 O ATOM 676 CB LYS A 182 25.044 -10.992 -4.458 1.00 0.00 C ATOM 677 CG LYS A 182 25.638 -12.213 -3.746 1.00 0.00 C ATOM 678 CD LYS A 182 26.587 -11.768 -2.619 1.00 0.00 C ATOM 679 CE LYS A 182 25.903 -10.755 -1.686 1.00 0.00 C ATOM 680 NZ LYS A 182 24.646 -11.287 -1.121 1.00 0.00 N ATOM 0 H LYS A 182 23.845 -9.392 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 182 25.102 -11.790 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.831 -10.269 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.325 -10.497 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.837 -12.827 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.179 -12.832 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 182 26.907 -12.637 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 182 27.484 -11.322 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.583 -10.492 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.694 -9.838 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 24.234 -10.587 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 23.975 -11.483 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 24.843 -12.166 -0.602 1.00 0.00 H new ATOM 694 N ASN A 183 22.305 -12.247 -4.743 1.00 0.00 N ATOM 695 CA ASN A 183 21.295 -13.234 -4.391 1.00 0.00 C ATOM 696 C ASN A 183 20.604 -13.752 -5.650 1.00 0.00 C ATOM 697 O ASN A 183 20.449 -14.959 -5.815 1.00 0.00 O ATOM 698 CB ASN A 183 20.280 -12.604 -3.431 1.00 0.00 C ATOM 699 CG ASN A 183 20.926 -12.247 -2.090 1.00 0.00 C ATOM 700 OD1 ASN A 183 22.150 -12.275 -1.948 1.00 0.00 O ATOM 701 ND2 ASN A 183 20.098 -11.910 -1.102 1.00 0.00 N ATOM 0 H ASN A 183 22.135 -11.320 -4.352 1.00 0.00 H new ATOM 0 HA ASN A 183 21.770 -14.080 -3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.858 -11.707 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.455 -13.297 -3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.471 -11.662 -0.186 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.091 -11.900 -1.262 1.00 0.00 H new ATOM 708 N HIS A 184 20.191 -12.839 -6.538 1.00 0.00 N ATOM 709 CA HIS A 184 19.528 -13.210 -7.780 1.00 0.00 C ATOM 710 C HIS A 184 20.388 -14.205 -8.555 1.00 0.00 C ATOM 711 O HIS A 184 19.901 -15.251 -8.969 1.00 0.00 O ATOM 712 CB HIS A 184 19.275 -11.948 -8.611 1.00 0.00 C ATOM 713 CG HIS A 184 19.025 -12.235 -10.071 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.185 -13.253 -10.514 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.502 -11.651 -11.216 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.210 -13.216 -11.862 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.996 -12.259 -12.352 1.00 0.00 N ATOM 0 H HIS A 184 20.309 -11.834 -6.412 1.00 0.00 H new ATOM 0 HA HIS A 184 18.573 -13.687 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.416 -11.417 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.134 -11.283 -8.520 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.189 -10.818 -11.230 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.647 -13.896 -12.484 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.181 -12.029 -13.329 1.00 0.00 H new ATOM 725 N TRP A 185 21.664 -13.873 -8.748 1.00 0.00 N ATOM 726 CA TRP A 185 22.584 -14.721 -9.482 1.00 0.00 C ATOM 727 C TRP A 185 22.705 -16.088 -8.808 1.00 0.00 C ATOM 728 O TRP A 185 22.581 -17.114 -9.466 1.00 0.00 O ATOM 729 CB TRP A 185 23.948 -14.028 -9.555 1.00 0.00 C ATOM 730 CG TRP A 185 24.996 -14.785 -10.308 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.814 -15.715 -9.790 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.363 -14.692 -11.718 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.661 -16.214 -10.747 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.427 -15.615 -11.970 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.911 -13.925 -12.815 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.005 -15.766 -13.234 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.488 -14.078 -14.093 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.533 -14.995 -14.301 1.00 0.00 C ATOM 0 H TRP A 185 22.082 -13.010 -8.399 1.00 0.00 H new ATOM 0 HA TRP A 185 22.207 -14.882 -10.492 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.819 -13.051 -10.022 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.305 -13.852 -8.540 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.806 -16.029 -8.757 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.368 -16.930 -10.579 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.113 -13.212 -12.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.809 -16.472 -13.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.124 -13.485 -14.919 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.970 -15.104 -15.282 1.00 0.00 H new ATOM 749 N ASN A 186 22.958 -16.095 -7.498 1.00 0.00 N ATOM 750 CA ASN A 186 23.152 -17.328 -6.742 1.00 0.00 C ATOM 751 C ASN A 186 21.923 -18.242 -6.820 1.00 0.00 C ATOM 752 O ASN A 186 22.063 -19.451 -7.000 1.00 0.00 O ATOM 753 CB ASN A 186 23.451 -16.976 -5.279 1.00 0.00 C ATOM 754 CG ASN A 186 24.816 -16.306 -5.127 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.639 -16.340 -6.038 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.054 -15.697 -3.965 1.00 0.00 N ATOM 0 H ASN A 186 23.033 -15.248 -6.935 1.00 0.00 H new ATOM 0 HA ASN A 186 23.991 -17.871 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.675 -16.312 -4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.421 -17.882 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 186 25.949 -15.235 -3.805 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.341 -15.694 -3.236 1.00 0.00 H new ATOM 763 N SER A 187 20.726 -17.677 -6.661 1.00 0.00 N ATOM 764 CA SER A 187 19.499 -18.464 -6.630 1.00 0.00 C ATOM 765 C SER A 187 19.008 -18.829 -8.035 1.00 0.00 C ATOM 766 O SER A 187 18.463 -19.914 -8.227 1.00 0.00 O ATOM 767 CB SER A 187 18.423 -17.668 -5.888 1.00 0.00 C ATOM 768 OG SER A 187 18.855 -17.405 -4.569 1.00 0.00 O ATOM 0 H SER A 187 20.583 -16.673 -6.552 1.00 0.00 H new ATOM 0 HA SER A 187 19.706 -19.401 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.224 -16.732 -6.410 1.00 0.00 H new ATOM 0 HB3 SER A 187 17.488 -18.229 -5.871 1.00 0.00 H new ATOM 0 HG SER A 187 19.428 -16.610 -4.565 1.00 0.00 H new ATOM 774 N THR A 188 19.174 -17.926 -9.007 1.00 0.00 N ATOM 775 CA THR A 188 18.648 -18.136 -10.353 1.00 0.00 C ATOM 776 C THR A 188 19.694 -18.752 -11.285 1.00 0.00 C ATOM 777 O THR A 188 19.439 -19.792 -11.890 1.00 0.00 O ATOM 778 CB THR A 188 18.154 -16.795 -10.917 1.00 0.00 C ATOM 779 OG1 THR A 188 17.439 -16.093 -9.920 1.00 0.00 O ATOM 780 CG2 THR A 188 17.235 -17.045 -12.114 1.00 0.00 C ATOM 0 H THR A 188 19.669 -17.043 -8.883 1.00 0.00 H new ATOM 0 HA THR A 188 17.819 -18.841 -10.291 1.00 0.00 H new ATOM 0 HB THR A 188 19.013 -16.204 -11.234 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.620 -15.133 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.887 -16.091 -12.511 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.784 -17.582 -12.888 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.379 -17.640 -11.797 1.00 0.00 H new ATOM 788 N MET A 189 20.856 -18.103 -11.423 1.00 0.00 N ATOM 789 CA MET A 189 21.884 -18.550 -12.355 1.00 0.00 C ATOM 790 C MET A 189 22.943 -19.396 -11.642 1.00 0.00 C ATOM 791 O MET A 189 22.786 -20.609 -11.530 1.00 0.00 O ATOM 792 CB MET A 189 22.507 -17.322 -13.033 1.00 0.00 C ATOM 793 CG MET A 189 21.496 -16.708 -14.007 1.00 0.00 C ATOM 794 SD MET A 189 22.131 -15.284 -14.924 1.00 0.00 S ATOM 795 CE MET A 189 21.681 -13.976 -13.760 1.00 0.00 C ATOM 0 H MET A 189 21.103 -17.265 -10.897 1.00 0.00 H new ATOM 0 HA MET A 189 21.434 -19.187 -13.117 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.797 -16.587 -12.282 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.414 -17.608 -13.566 1.00 0.00 H new ATOM 0 HG2 MET A 189 21.180 -17.473 -14.717 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.610 -16.403 -13.451 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.331 -13.114 -13.912 1.00 0.00 H new ATOM 0 HE2 MET A 189 20.644 -13.683 -13.925 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.797 -14.341 -12.740 1.00 0.00 H new ATOM 805 N ARG A 190 24.026 -18.754 -11.177 1.00 0.00 N ATOM 806 CA ARG A 190 25.131 -19.441 -10.513 1.00 0.00 C ATOM 807 C ARG A 190 25.852 -20.361 -11.508 1.00 0.00 C ATOM 808 O ARG A 190 26.320 -21.435 -11.139 1.00 0.00 O ATOM 809 CB ARG A 190 24.609 -20.231 -9.304 1.00 0.00 C ATOM 810 CG ARG A 190 25.743 -20.446 -8.292 1.00 0.00 C ATOM 811 CD ARG A 190 25.353 -21.551 -7.309 1.00 0.00 C ATOM 812 NE ARG A 190 24.207 -21.142 -6.483 1.00 0.00 N ATOM 813 CZ ARG A 190 24.314 -20.716 -5.210 1.00 0.00 C ATOM 814 NH1 ARG A 190 25.515 -20.447 -4.677 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.208 -20.555 -4.474 1.00 0.00 N ATOM 0 H ARG A 190 24.155 -17.745 -11.253 1.00 0.00 H new ATOM 0 HA ARG A 190 25.849 -18.704 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.787 -19.692 -8.833 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.214 -21.193 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 190 26.662 -20.716 -8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.943 -19.520 -7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 190 25.104 -22.459 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 190 26.202 -21.788 -6.668 1.00 0.00 H new ATOM 0 HE ARG A 190 23.276 -21.183 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 190 26.359 -20.564 -5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 190 25.584 -20.125 -3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 190 22.293 -20.755 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 190 23.280 -20.233 -3.509 1.00 0.00 H new