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= -0.169 K(o=0.77,f=-0.35) USER MOD Set 1.2: A 187 SER OG : rot -88:sc= 1.07 USER MOD Set 1.3: A 188 THR OG1 : rot 141:sc= 0.376 USER MOD Set 1.4: A 189 MET CE :methyl 132:sc= -0.508 (180deg=-1.23) USER MOD Set 2.1: A 182 LYS NZ :NH3+ 160:sc= 1.29 (180deg=-0.205) USER MOD Set 2.2: A 186 ASN : amide:sc= -0.801 K(o=0.49,f=-7.4!) USER MOD Set 3.1: A 177 THR OG1 : rot 141:sc= 0.608 USER MOD Set 3.2: A 179 ASN : amide:sc= 0.00398 K(o=0.61,f=-1.6) USER MOD Set 4.1: A 159 HIS : no HD1:sc= -0.0717 K(o=0.06,f=-2.1) USER MOD Set 4.2: A 164 ASN : amide:sc= 0.132 X(o=0.06,f=0.32) USER MOD Set 5.1: A 156 TYR OH : rot 180:sc= 1.1 USER MOD Set 5.2: A 160 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 171 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.988) USER MOD Single : A 183 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.182 -9.275 -13.057 1.00 0.00 N ATOM 89 CA TRP A 147 14.345 -9.079 -13.928 1.00 0.00 C ATOM 90 C TRP A 147 13.929 -9.045 -15.402 1.00 0.00 C ATOM 91 O TRP A 147 12.791 -9.373 -15.746 1.00 0.00 O ATOM 92 CB TRP A 147 15.399 -10.164 -13.663 1.00 0.00 C ATOM 93 CG TRP A 147 16.208 -9.934 -12.429 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.096 -10.605 -11.272 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.264 -8.959 -12.210 1.00 0.00 C ATOM 96 NE1 TRP A 147 16.998 -10.137 -10.345 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.757 -9.112 -10.877 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.859 -7.956 -13.001 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.792 -8.322 -10.368 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.900 -7.155 -12.492 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.370 -7.343 -11.184 1.00 0.00 C ATOM 0 HA TRP A 147 14.792 -8.112 -13.697 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.900 -11.130 -13.583 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.070 -10.222 -14.520 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.392 -11.405 -11.093 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.094 -10.497 -9.395 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.512 -7.799 -14.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.142 -8.466 -9.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.340 -6.390 -13.114 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.177 -6.733 -10.807 1.00 0.00 H new ATOM 112 N THR A 148 14.860 -8.630 -16.274 1.00 0.00 N ATOM 113 CA THR A 148 14.599 -8.521 -17.703 1.00 0.00 C ATOM 114 C THR A 148 15.781 -9.074 -18.496 1.00 0.00 C ATOM 115 O THR A 148 16.913 -9.059 -18.022 1.00 0.00 O ATOM 116 CB THR A 148 14.352 -7.050 -18.069 1.00 0.00 C ATOM 117 OG1 THR A 148 15.491 -6.283 -17.746 1.00 0.00 O ATOM 118 CG2 THR A 148 13.141 -6.510 -17.303 1.00 0.00 C ATOM 0 H THR A 148 15.807 -8.364 -16.003 1.00 0.00 H new ATOM 0 HA THR A 148 13.712 -9.104 -17.953 1.00 0.00 H new ATOM 0 HB THR A 148 14.156 -6.982 -19.139 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.530 -6.148 -16.776 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.977 -5.466 -17.571 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.258 -7.094 -17.560 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.326 -6.584 -16.231 1.00 0.00 H new ATOM 126 N GLU A 149 15.494 -9.554 -19.714 1.00 0.00 N ATOM 127 CA GLU A 149 16.499 -10.115 -20.613 1.00 0.00 C ATOM 128 C GLU A 149 17.704 -9.171 -20.730 1.00 0.00 C ATOM 129 O GLU A 149 18.852 -9.616 -20.684 1.00 0.00 O ATOM 130 CB GLU A 149 15.822 -10.358 -21.981 1.00 0.00 C ATOM 131 CG GLU A 149 16.846 -10.434 -23.127 1.00 0.00 C ATOM 132 CD GLU A 149 17.757 -11.655 -23.015 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.509 -12.481 -22.114 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.689 -11.735 -23.848 1.00 0.00 O ATOM 0 H GLU A 149 14.550 -9.562 -20.101 1.00 0.00 H new ATOM 0 HA GLU A 149 16.882 -11.059 -20.225 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.251 -11.286 -21.943 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.112 -9.555 -22.182 1.00 0.00 H new ATOM 0 HG2 GLU A 149 16.318 -10.464 -24.080 1.00 0.00 H new ATOM 0 HG3 GLU A 149 17.454 -9.529 -23.128 1.00 0.00 H new ATOM 141 N GLU A 150 17.441 -7.869 -20.885 1.00 0.00 N ATOM 142 CA GLU A 150 18.501 -6.881 -21.021 1.00 0.00 C ATOM 143 C GLU A 150 19.394 -6.891 -19.778 1.00 0.00 C ATOM 144 O GLU A 150 20.613 -7.012 -19.893 1.00 0.00 O ATOM 145 CB GLU A 150 17.883 -5.492 -21.240 1.00 0.00 C ATOM 146 CG GLU A 150 18.348 -4.929 -22.584 1.00 0.00 C ATOM 147 CD GLU A 150 17.770 -3.539 -22.816 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.262 -2.604 -22.149 1.00 0.00 O ATOM 149 OE2 GLU A 150 16.849 -3.440 -23.653 1.00 0.00 O ATOM 0 H GLU A 150 16.499 -7.480 -20.919 1.00 0.00 H new ATOM 0 HA GLU A 150 19.120 -7.129 -21.884 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.795 -5.560 -21.219 1.00 0.00 H new ATOM 0 HB3 GLU A 150 18.176 -4.821 -20.432 1.00 0.00 H new ATOM 0 HG2 GLU A 150 19.437 -4.884 -22.608 1.00 0.00 H new ATOM 0 HG3 GLU A 150 18.039 -5.595 -23.389 1.00 0.00 H new ATOM 156 N GLU A 151 18.786 -6.764 -18.592 1.00 0.00 N ATOM 157 CA GLU A 151 19.531 -6.751 -17.341 1.00 0.00 C ATOM 158 C GLU A 151 20.353 -8.031 -17.198 1.00 0.00 C ATOM 159 O GLU A 151 21.531 -7.974 -16.846 1.00 0.00 O ATOM 160 CB GLU A 151 18.563 -6.616 -16.171 1.00 0.00 C ATOM 161 CG GLU A 151 18.003 -5.194 -16.105 1.00 0.00 C ATOM 162 CD GLU A 151 16.991 -5.073 -14.973 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.939 -5.747 -15.069 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.284 -4.315 -14.024 1.00 0.00 O ATOM 0 H GLU A 151 17.777 -6.669 -18.480 1.00 0.00 H new ATOM 0 HA GLU A 151 20.213 -5.901 -17.343 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.747 -7.330 -16.281 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.074 -6.856 -15.238 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.815 -4.483 -15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.530 -4.938 -17.053 1.00 0.00 H new ATOM 171 N ASP A 152 19.734 -9.187 -17.470 1.00 0.00 N ATOM 172 CA ASP A 152 20.421 -10.468 -17.378 1.00 0.00 C ATOM 173 C ASP A 152 21.684 -10.431 -18.235 1.00 0.00 C ATOM 174 O ASP A 152 22.731 -10.915 -17.813 1.00 0.00 O ATOM 175 CB ASP A 152 19.488 -11.595 -17.838 1.00 0.00 C ATOM 176 CG ASP A 152 18.411 -11.883 -16.797 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.798 -12.241 -15.664 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.221 -11.742 -17.153 1.00 0.00 O ATOM 0 H ASP A 152 18.757 -9.254 -17.755 1.00 0.00 H new ATOM 0 HA ASP A 152 20.704 -10.657 -16.343 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.019 -11.319 -18.783 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.069 -12.498 -18.023 1.00 0.00 H new ATOM 183 N ARG A 153 21.585 -9.850 -19.439 1.00 0.00 N ATOM 184 CA ARG A 153 22.722 -9.748 -20.342 1.00 0.00 C ATOM 185 C ARG A 153 23.817 -8.877 -19.723 1.00 0.00 C ATOM 186 O ARG A 153 24.991 -9.239 -19.767 1.00 0.00 O ATOM 187 CB ARG A 153 22.263 -9.163 -21.681 1.00 0.00 C ATOM 188 CG ARG A 153 23.276 -9.534 -22.773 1.00 0.00 C ATOM 189 CD ARG A 153 23.025 -8.709 -24.048 1.00 0.00 C ATOM 190 NE ARG A 153 21.592 -8.472 -24.286 1.00 0.00 N ATOM 191 CZ ARG A 153 20.699 -9.456 -24.497 1.00 0.00 C ATOM 192 NH1 ARG A 153 21.086 -10.735 -24.521 1.00 0.00 N ATOM 193 NH2 ARG A 153 19.411 -9.156 -24.678 1.00 0.00 N ATOM 0 H ARG A 153 20.723 -9.445 -19.804 1.00 0.00 H new ATOM 0 HA ARG A 153 23.134 -10.743 -20.512 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.276 -9.547 -21.939 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.173 -8.079 -21.605 1.00 0.00 H new ATOM 0 HG2 ARG A 153 24.289 -9.357 -22.412 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.200 -10.597 -23.001 1.00 0.00 H new ATOM 0 HD2 ARG A 153 23.541 -7.752 -23.967 1.00 0.00 H new ATOM 0 HD3 ARG A 153 23.452 -9.230 -24.905 1.00 0.00 H new ATOM 0 HE ARG A 153 21.257 -7.508 -24.291 1.00 0.00 H new ATOM 0 HH11 ARG A 153 22.067 -10.974 -24.378 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.400 -11.472 -24.682 1.00 0.00 H new ATOM 0 HH21 ARG A 153 19.106 -8.183 -24.656 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.732 -9.900 -24.838 1.00 0.00 H new ATOM 207 N ILE A 154 23.433 -7.726 -19.150 1.00 0.00 N ATOM 208 CA ILE A 154 24.391 -6.810 -18.538 1.00 0.00 C ATOM 209 C ILE A 154 25.191 -7.542 -17.463 1.00 0.00 C ATOM 210 O ILE A 154 26.422 -7.513 -17.475 1.00 0.00 O ATOM 211 CB ILE A 154 23.648 -5.599 -17.931 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.988 -4.759 -19.046 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.632 -4.730 -17.134 1.00 0.00 C ATOM 214 CD1 ILE A 154 24.023 -3.889 -19.772 1.00 0.00 C ATOM 0 H ILE A 154 22.464 -7.413 -19.101 1.00 0.00 H new ATOM 0 HA ILE A 154 25.080 -6.447 -19.300 1.00 0.00 H new ATOM 0 HB ILE A 154 22.869 -5.965 -17.262 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.499 -5.420 -19.761 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.213 -4.124 -18.616 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.102 -3.878 -16.708 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.072 -5.322 -16.331 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.421 -4.373 -17.796 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.528 -3.309 -20.551 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.493 -3.212 -19.059 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.783 -4.527 -20.222 1.00 0.00 H new ATOM 226 N ILE A 155 24.490 -8.195 -16.531 1.00 0.00 N ATOM 227 CA ILE A 155 25.134 -8.906 -15.437 1.00 0.00 C ATOM 228 C ILE A 155 25.960 -10.070 -15.984 1.00 0.00 C ATOM 229 O ILE A 155 27.070 -10.291 -15.534 1.00 0.00 O ATOM 230 CB ILE A 155 24.071 -9.402 -14.444 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.287 -8.203 -13.885 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.754 -10.146 -13.285 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.962 -8.678 -13.295 1.00 0.00 C ATOM 0 H ILE A 155 23.471 -8.242 -16.518 1.00 0.00 H new ATOM 0 HA ILE A 155 25.808 -8.230 -14.911 1.00 0.00 H new ATOM 0 HB ILE A 155 23.387 -10.077 -14.959 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.876 -7.698 -13.119 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.103 -7.477 -14.677 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.998 -10.497 -12.582 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.309 -10.999 -13.677 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.440 -9.471 -12.773 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.412 -7.823 -12.901 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.371 -9.163 -14.072 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.156 -9.387 -12.490 1.00 0.00 H new ATOM 245 N TYR A 156 25.414 -10.811 -16.952 1.00 0.00 N ATOM 246 CA TYR A 156 26.103 -11.954 -17.543 1.00 0.00 C ATOM 247 C TYR A 156 27.460 -11.531 -18.111 1.00 0.00 C ATOM 248 O TYR A 156 28.487 -12.120 -17.772 1.00 0.00 O ATOM 249 CB TYR A 156 25.213 -12.557 -18.635 1.00 0.00 C ATOM 250 CG TYR A 156 25.866 -13.681 -19.411 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.182 -14.891 -18.768 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.146 -13.521 -20.781 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.775 -15.939 -19.493 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.736 -14.570 -21.505 1.00 0.00 C ATOM 255 CZ TYR A 156 27.049 -15.779 -20.862 1.00 0.00 C ATOM 256 OH TYR A 156 27.617 -16.800 -21.568 1.00 0.00 O ATOM 0 H TYR A 156 24.489 -10.635 -17.344 1.00 0.00 H new ATOM 0 HA TYR A 156 26.291 -12.706 -16.777 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.296 -12.930 -18.178 1.00 0.00 H new ATOM 0 HB3 TYR A 156 24.925 -11.769 -19.331 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.969 -15.015 -17.717 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.907 -12.591 -21.276 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.020 -16.867 -18.998 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.949 -14.447 -22.557 1.00 0.00 H new ATOM 0 HH TYR A 156 27.738 -16.525 -22.501 1.00 0.00 H new ATOM 266 N GLN A 157 27.459 -10.515 -18.976 1.00 0.00 N ATOM 267 CA GLN A 157 28.677 -10.033 -19.607 1.00 0.00 C ATOM 268 C GLN A 157 29.638 -9.469 -18.558 1.00 0.00 C ATOM 269 O GLN A 157 30.805 -9.864 -18.506 1.00 0.00 O ATOM 270 CB GLN A 157 28.306 -8.963 -20.639 1.00 0.00 C ATOM 271 CG GLN A 157 29.558 -8.513 -21.401 1.00 0.00 C ATOM 272 CD GLN A 157 29.212 -7.465 -22.455 1.00 0.00 C ATOM 273 OE1 GLN A 157 28.042 -7.243 -22.758 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.234 -6.820 -23.015 1.00 0.00 N ATOM 0 H GLN A 157 26.617 -10.010 -19.254 1.00 0.00 H new ATOM 0 HA GLN A 157 29.184 -10.858 -20.107 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.568 -9.359 -21.337 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.847 -8.109 -20.141 1.00 0.00 H new ATOM 0 HG2 GLN A 157 30.286 -8.103 -20.701 1.00 0.00 H new ATOM 0 HG3 GLN A 157 30.026 -9.374 -21.879 1.00 0.00 H new ATOM 0 HE21 GLN A 157 31.190 -7.037 -22.733 1.00 0.00 H new ATOM 0 HE22 GLN A 157 30.061 -6.109 -23.726 1.00 0.00 H new ATOM 283 N ALA A 158 29.149 -8.540 -17.730 1.00 0.00 N ATOM 284 CA ALA A 158 29.970 -7.893 -16.718 1.00 0.00 C ATOM 285 C ALA A 158 30.546 -8.919 -15.739 1.00 0.00 C ATOM 286 O ALA A 158 31.682 -8.778 -15.299 1.00 0.00 O ATOM 287 CB ALA A 158 29.129 -6.855 -15.977 1.00 0.00 C ATOM 0 H ALA A 158 28.180 -8.222 -17.747 1.00 0.00 H new ATOM 0 HA ALA A 158 30.810 -7.398 -17.206 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.740 -6.367 -15.217 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.765 -6.109 -16.684 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.281 -7.347 -15.500 1.00 0.00 H new ATOM 293 N HIS A 159 29.764 -9.947 -15.396 1.00 0.00 N ATOM 294 CA HIS A 159 30.203 -10.974 -14.463 1.00 0.00 C ATOM 295 C HIS A 159 31.305 -11.818 -15.093 1.00 0.00 C ATOM 296 O HIS A 159 32.307 -12.100 -14.451 1.00 0.00 O ATOM 297 CB HIS A 159 29.016 -11.853 -14.058 1.00 0.00 C ATOM 298 CG HIS A 159 29.409 -12.941 -13.094 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.016 -14.123 -13.501 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.299 -13.053 -11.733 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.229 -14.853 -12.389 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.814 -14.255 -11.273 1.00 0.00 N ATOM 0 H HIS A 159 28.820 -10.085 -15.756 1.00 0.00 H new ATOM 0 HA HIS A 159 30.603 -10.496 -13.569 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.245 -11.231 -13.604 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.579 -12.302 -14.950 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.864 -12.297 -11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.692 -15.829 -12.401 1.00 0.00 H new ATOM 0 HE2 HIS A 159 29.863 -14.598 -10.314 1.00 0.00 H new ATOM 310 N LYS A 160 31.124 -12.225 -16.350 1.00 0.00 N ATOM 311 CA LYS A 160 32.117 -13.038 -17.034 1.00 0.00 C ATOM 312 C LYS A 160 33.435 -12.266 -17.154 1.00 0.00 C ATOM 313 O LYS A 160 34.509 -12.862 -17.096 1.00 0.00 O ATOM 314 CB LYS A 160 31.583 -13.436 -18.414 1.00 0.00 C ATOM 315 CG LYS A 160 32.534 -14.451 -19.064 1.00 0.00 C ATOM 316 CD LYS A 160 31.999 -14.876 -20.436 1.00 0.00 C ATOM 317 CE LYS A 160 30.720 -15.704 -20.273 1.00 0.00 C ATOM 318 NZ LYS A 160 30.394 -16.420 -21.518 1.00 0.00 N ATOM 0 H LYS A 160 30.300 -12.003 -16.909 1.00 0.00 H new ATOM 0 HA LYS A 160 32.310 -13.944 -16.460 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.586 -13.867 -18.319 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.490 -12.553 -19.047 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.526 -14.013 -19.172 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.640 -15.324 -18.421 1.00 0.00 H new ATOM 0 HD2 LYS A 160 31.795 -13.994 -21.044 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.754 -15.459 -20.964 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.846 -16.419 -19.460 1.00 0.00 H new ATOM 0 HE3 LYS A 160 29.892 -15.051 -19.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 29.368 -16.584 -21.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 30.692 -15.849 -22.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.892 -17.333 -21.534 1.00 0.00 H new ATOM 332 N ARG A 161 33.349 -10.943 -17.324 1.00 0.00 N ATOM 333 CA ARG A 161 34.526 -10.103 -17.474 1.00 0.00 C ATOM 334 C ARG A 161 35.205 -9.864 -16.118 1.00 0.00 C ATOM 335 O ARG A 161 36.403 -10.106 -15.976 1.00 0.00 O ATOM 336 CB ARG A 161 34.099 -8.773 -18.118 1.00 0.00 C ATOM 337 CG ARG A 161 35.308 -7.843 -18.320 1.00 0.00 C ATOM 338 CD ARG A 161 36.296 -8.455 -19.326 1.00 0.00 C ATOM 339 NE ARG A 161 37.314 -9.274 -18.650 1.00 0.00 N ATOM 340 CZ ARG A 161 38.357 -8.752 -17.976 1.00 0.00 C ATOM 341 NH1 ARG A 161 38.515 -7.423 -17.897 1.00 0.00 N ATOM 342 NH2 ARG A 161 39.238 -9.565 -17.381 1.00 0.00 N ATOM 0 H ARG A 161 32.466 -10.434 -17.360 1.00 0.00 H new ATOM 0 HA ARG A 161 35.253 -10.602 -18.114 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.621 -8.967 -19.078 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.359 -8.281 -17.487 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.970 -6.871 -18.679 1.00 0.00 H new ATOM 0 HG3 ARG A 161 35.808 -7.675 -17.366 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.752 -9.068 -20.045 1.00 0.00 H new ATOM 0 HD3 ARG A 161 36.783 -7.659 -19.890 1.00 0.00 H new ATOM 0 HE ARG A 161 37.226 -10.289 -18.694 1.00 0.00 H new ATOM 0 HH11 ARG A 161 37.844 -6.802 -18.349 1.00 0.00 H new ATOM 0 HH12 ARG A 161 39.307 -7.033 -17.385 1.00 0.00 H new ATOM 0 HH21 ARG A 161 39.118 -10.576 -17.439 1.00 0.00 H new ATOM 0 HH22 ARG A 161 40.029 -9.173 -16.870 1.00 0.00 H new ATOM 356 N LEU A 162 34.443 -9.372 -15.133 1.00 0.00 N ATOM 357 CA LEU A 162 34.986 -9.027 -13.821 1.00 0.00 C ATOM 358 C LEU A 162 34.919 -10.219 -12.865 1.00 0.00 C ATOM 359 O LEU A 162 35.948 -10.671 -12.366 1.00 0.00 O ATOM 360 CB LEU A 162 34.195 -7.842 -13.244 1.00 0.00 C ATOM 361 CG LEU A 162 34.321 -6.609 -14.153 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.252 -5.586 -13.762 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.709 -5.978 -13.995 1.00 0.00 C ATOM 0 H LEU A 162 33.441 -9.204 -15.225 1.00 0.00 H new ATOM 0 HA LEU A 162 36.034 -8.751 -13.937 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.145 -8.116 -13.139 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.564 -7.604 -12.246 1.00 0.00 H new ATOM 0 HG LEU A 162 34.184 -6.913 -15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.336 -4.709 -14.403 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.263 -6.029 -13.881 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.394 -5.290 -12.722 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.788 -5.105 -14.643 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.855 -5.674 -12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.473 -6.705 -14.271 1.00 0.00 H new ATOM 375 N GLY A 163 33.703 -10.709 -12.600 1.00 0.00 N ATOM 376 CA GLY A 163 33.475 -11.807 -11.668 1.00 0.00 C ATOM 377 C GLY A 163 32.287 -11.455 -10.781 1.00 0.00 C ATOM 378 O GLY A 163 31.349 -10.806 -11.237 1.00 0.00 O ATOM 0 H GLY A 163 32.850 -10.351 -13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.280 -12.731 -12.213 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.363 -11.977 -11.060 1.00 0.00 H new ATOM 382 N ASN A 164 32.328 -11.862 -9.505 1.00 0.00 N ATOM 383 CA ASN A 164 31.259 -11.542 -8.560 1.00 0.00 C ATOM 384 C ASN A 164 31.469 -10.126 -8.016 1.00 0.00 C ATOM 385 O ASN A 164 31.234 -9.872 -6.835 1.00 0.00 O ATOM 386 CB ASN A 164 31.253 -12.559 -7.411 1.00 0.00 C ATOM 387 CG ASN A 164 31.133 -13.988 -7.931 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.029 -14.491 -8.117 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.271 -14.644 -8.162 1.00 0.00 N ATOM 0 H ASN A 164 33.090 -12.412 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 164 30.297 -11.590 -9.070 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.169 -12.458 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.423 -12.345 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.246 -15.603 -8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.167 -14.186 -7.993 1.00 0.00 H new ATOM 396 N ARG A 165 31.920 -9.206 -8.880 1.00 0.00 N ATOM 397 CA ARG A 165 32.189 -7.838 -8.483 1.00 0.00 C ATOM 398 C ARG A 165 30.901 -7.033 -8.492 1.00 0.00 C ATOM 399 O ARG A 165 30.742 -6.120 -9.301 1.00 0.00 O ATOM 400 CB ARG A 165 33.205 -7.214 -9.440 1.00 0.00 C ATOM 401 CG ARG A 165 34.545 -7.946 -9.351 1.00 0.00 C ATOM 402 CD ARG A 165 35.663 -6.955 -9.666 1.00 0.00 C ATOM 403 NE ARG A 165 36.912 -7.638 -10.006 1.00 0.00 N ATOM 404 CZ ARG A 165 38.024 -6.974 -10.364 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.026 -5.632 -10.399 1.00 0.00 N ATOM 406 NH2 ARG A 165 39.131 -7.654 -10.688 1.00 0.00 N ATOM 0 H ARG A 165 32.104 -9.398 -9.865 1.00 0.00 H new ATOM 0 HA ARG A 165 32.600 -7.832 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 165 32.827 -7.259 -10.461 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.343 -6.160 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.681 -8.366 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.569 -8.779 -10.054 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.360 -6.316 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 165 35.826 -6.305 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 165 36.939 -8.657 -9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.182 -5.114 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.871 -5.130 -10.671 1.00 0.00 H new ATOM 0 HH21 ARG A 165 39.129 -8.674 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 165 39.976 -7.152 -10.960 1.00 0.00 H new ATOM 420 N TRP A 166 29.979 -7.357 -7.587 1.00 0.00 N ATOM 421 CA TRP A 166 28.729 -6.628 -7.491 1.00 0.00 C ATOM 422 C TRP A 166 29.023 -5.179 -7.114 1.00 0.00 C ATOM 423 O TRP A 166 28.279 -4.289 -7.475 1.00 0.00 O ATOM 424 CB TRP A 166 27.811 -7.281 -6.462 1.00 0.00 C ATOM 425 CG TRP A 166 27.924 -8.765 -6.378 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.344 -9.438 -5.306 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.631 -9.779 -7.386 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.344 -10.791 -5.538 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.905 -11.065 -6.820 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.164 -9.755 -8.720 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.721 -12.252 -7.532 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.979 -10.954 -9.444 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.258 -12.198 -8.850 1.00 0.00 C ATOM 0 H TRP A 166 30.079 -8.118 -6.915 1.00 0.00 H new ATOM 0 HA TRP A 166 28.219 -6.649 -8.454 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.028 -6.858 -5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.779 -7.022 -6.700 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.645 -8.978 -4.376 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.629 -11.497 -4.859 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.946 -8.808 -9.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.935 -13.204 -7.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.620 -10.915 -10.462 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.115 -13.110 -9.411 1.00 0.00 H new ATOM 444 N ALA A 167 30.126 -4.946 -6.392 1.00 0.00 N ATOM 445 CA ALA A 167 30.521 -3.602 -6.001 1.00 0.00 C ATOM 446 C ALA A 167 30.746 -2.729 -7.244 1.00 0.00 C ATOM 447 O ALA A 167 30.666 -1.504 -7.155 1.00 0.00 O ATOM 448 CB ALA A 167 31.794 -3.677 -5.158 1.00 0.00 C ATOM 0 H ALA A 167 30.758 -5.679 -6.069 1.00 0.00 H new ATOM 0 HA ALA A 167 29.726 -3.148 -5.409 1.00 0.00 H new ATOM 0 HB1 ALA A 167 32.094 -2.672 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.606 -4.276 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.591 -4.137 -5.743 1.00 0.00 H new ATOM 454 N GLU A 168 31.025 -3.363 -8.398 1.00 0.00 N ATOM 455 CA GLU A 168 31.238 -2.652 -9.652 1.00 0.00 C ATOM 456 C GLU A 168 29.968 -2.726 -10.507 1.00 0.00 C ATOM 457 O GLU A 168 29.486 -1.706 -10.988 1.00 0.00 O ATOM 458 CB GLU A 168 32.432 -3.267 -10.396 1.00 0.00 C ATOM 459 CG GLU A 168 33.723 -3.041 -9.595 1.00 0.00 C ATOM 460 CD GLU A 168 34.945 -3.569 -10.349 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.892 -3.568 -11.596 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.913 -3.965 -9.660 1.00 0.00 O ATOM 0 H GLU A 168 31.107 -4.377 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 168 31.458 -1.604 -9.449 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.268 -4.334 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 168 32.525 -2.819 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.848 -1.977 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.646 -3.540 -8.629 1.00 0.00 H new ATOM 469 N ILE A 169 29.428 -3.937 -10.696 1.00 0.00 N ATOM 470 CA ILE A 169 28.224 -4.140 -11.503 1.00 0.00 C ATOM 471 C ILE A 169 27.063 -3.301 -10.950 1.00 0.00 C ATOM 472 O ILE A 169 26.338 -2.662 -11.712 1.00 0.00 O ATOM 473 CB ILE A 169 27.859 -5.636 -11.511 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.997 -6.449 -12.155 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.565 -5.847 -12.311 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.888 -7.922 -11.751 1.00 0.00 C ATOM 0 H ILE A 169 29.811 -4.794 -10.297 1.00 0.00 H new ATOM 0 HA ILE A 169 28.416 -3.817 -12.526 1.00 0.00 H new ATOM 0 HB ILE A 169 27.712 -5.972 -10.485 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.950 -6.357 -13.240 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.962 -6.049 -11.843 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.309 -6.906 -12.315 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.756 -5.280 -11.851 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.711 -5.505 -13.336 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.698 -8.487 -12.213 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.958 -8.008 -10.667 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.931 -8.321 -12.086 1.00 0.00 H new ATOM 488 N ALA A 170 26.891 -3.309 -9.623 1.00 0.00 N ATOM 489 CA ALA A 170 25.819 -2.573 -8.962 1.00 0.00 C ATOM 490 C ALA A 170 25.910 -1.071 -9.267 1.00 0.00 C ATOM 491 O ALA A 170 24.905 -0.372 -9.205 1.00 0.00 O ATOM 492 CB ALA A 170 25.885 -2.831 -7.449 1.00 0.00 C ATOM 0 H ALA A 170 27.493 -3.827 -8.982 1.00 0.00 H new ATOM 0 HA ALA A 170 24.860 -2.923 -9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.085 -2.283 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.768 -3.897 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.848 -2.496 -7.065 1.00 0.00 H new ATOM 498 N LYS A 171 27.110 -0.570 -9.602 1.00 0.00 N ATOM 499 CA LYS A 171 27.281 0.843 -9.929 1.00 0.00 C ATOM 500 C LYS A 171 26.650 1.127 -11.292 1.00 0.00 C ATOM 501 O LYS A 171 26.085 2.198 -11.503 1.00 0.00 O ATOM 502 CB LYS A 171 28.772 1.212 -9.938 1.00 0.00 C ATOM 503 CG LYS A 171 29.409 0.900 -8.577 1.00 0.00 C ATOM 504 CD LYS A 171 29.157 2.056 -7.603 1.00 0.00 C ATOM 505 CE LYS A 171 29.449 1.602 -6.168 1.00 0.00 C ATOM 506 NZ LYS A 171 30.806 1.038 -6.049 1.00 0.00 N ATOM 0 H LYS A 171 27.966 -1.122 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 171 26.786 1.451 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.286 0.657 -10.723 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.890 2.271 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.992 -0.023 -8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 171 30.481 0.741 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 171 29.790 2.905 -7.861 1.00 0.00 H new ATOM 0 HD3 LYS A 171 28.123 2.393 -7.684 1.00 0.00 H new ATOM 0 HE2 LYS A 171 29.344 2.448 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 171 28.715 0.856 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 31.176 1.222 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 30.771 0.012 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 31.429 1.481 -6.754 1.00 0.00 H new ATOM 520 N LEU A 172 26.745 0.159 -12.216 1.00 0.00 N ATOM 521 CA LEU A 172 26.166 0.297 -13.546 1.00 0.00 C ATOM 522 C LEU A 172 24.642 0.255 -13.442 1.00 0.00 C ATOM 523 O LEU A 172 23.949 0.905 -14.224 1.00 0.00 O ATOM 524 CB LEU A 172 26.672 -0.831 -14.458 1.00 0.00 C ATOM 525 CG LEU A 172 28.210 -0.874 -14.477 1.00 0.00 C ATOM 526 CD1 LEU A 172 28.668 -2.025 -15.376 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.770 0.446 -15.018 1.00 0.00 C ATOM 0 H LEU A 172 27.221 -0.729 -12.058 1.00 0.00 H new ATOM 0 HA LEU A 172 26.468 1.251 -13.977 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.282 -1.788 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.296 -0.682 -15.470 1.00 0.00 H new ATOM 0 HG LEU A 172 28.576 -1.024 -13.462 1.00 0.00 H new ATOM 0 HD11 LEU A 172 29.757 -2.061 -15.394 1.00 0.00 H new ATOM 0 HD12 LEU A 172 28.280 -2.967 -14.988 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.293 -1.868 -16.387 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.859 0.403 -15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.405 0.607 -16.032 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.444 1.268 -14.380 1.00 0.00 H new ATOM 539 N LEU A 173 24.128 -0.512 -12.466 1.00 0.00 N ATOM 540 CA LEU A 173 22.694 -0.639 -12.230 1.00 0.00 C ATOM 541 C LEU A 173 22.382 -0.199 -10.794 1.00 0.00 C ATOM 542 O LEU A 173 22.225 -1.046 -9.921 1.00 0.00 O ATOM 543 CB LEU A 173 22.276 -2.103 -12.444 1.00 0.00 C ATOM 544 CG LEU A 173 22.496 -2.530 -13.905 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.294 -4.044 -14.022 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.495 -1.817 -14.822 1.00 0.00 C ATOM 0 H LEU A 173 24.701 -1.058 -11.823 1.00 0.00 H new ATOM 0 HA LEU A 173 22.139 -0.007 -12.924 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.851 -2.750 -11.782 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.226 -2.228 -12.179 1.00 0.00 H new ATOM 0 HG LEU A 173 23.509 -2.262 -14.206 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.449 -4.353 -15.056 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.009 -4.557 -13.379 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.280 -4.301 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 173 21.661 -2.128 -15.853 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.479 -2.077 -14.524 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.632 -0.739 -14.741 1.00 0.00 H new ATOM 558 N PRO A 174 22.294 1.127 -10.540 1.00 0.00 N ATOM 559 CA PRO A 174 22.041 1.659 -9.209 1.00 0.00 C ATOM 560 C PRO A 174 20.770 1.067 -8.593 1.00 0.00 C ATOM 561 O PRO A 174 20.731 0.805 -7.393 1.00 0.00 O ATOM 562 CB PRO A 174 21.923 3.177 -9.381 1.00 0.00 C ATOM 563 CG PRO A 174 22.248 3.489 -10.846 1.00 0.00 C ATOM 564 CD PRO A 174 22.451 2.149 -11.554 1.00 0.00 C ATOM 0 HA PRO A 174 22.846 1.397 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.919 3.517 -9.128 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.612 3.695 -8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.437 4.051 -11.310 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.145 4.104 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.723 2.018 -12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.440 2.096 -12.010 1.00 0.00 H new ATOM 572 N GLY A 175 19.733 0.858 -9.415 1.00 0.00 N ATOM 573 CA GLY A 175 18.472 0.300 -8.944 1.00 0.00 C ATOM 574 C GLY A 175 18.673 -1.111 -8.381 1.00 0.00 C ATOM 575 O GLY A 175 17.880 -1.566 -7.558 1.00 0.00 O ATOM 0 H GLY A 175 19.750 1.070 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.049 0.946 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.755 0.270 -9.764 1.00 0.00 H new ATOM 579 N ARG A 176 19.732 -1.799 -8.832 1.00 0.00 N ATOM 580 CA ARG A 176 20.035 -3.151 -8.392 1.00 0.00 C ATOM 581 C ARG A 176 21.203 -3.111 -7.403 1.00 0.00 C ATOM 582 O ARG A 176 22.347 -2.914 -7.802 1.00 0.00 O ATOM 583 CB ARG A 176 20.395 -4.009 -9.612 1.00 0.00 C ATOM 584 CG ARG A 176 19.323 -3.888 -10.706 1.00 0.00 C ATOM 585 CD ARG A 176 17.988 -4.448 -10.210 1.00 0.00 C ATOM 586 NE ARG A 176 17.105 -4.753 -11.344 1.00 0.00 N ATOM 587 CZ ARG A 176 15.935 -5.395 -11.215 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.479 -5.729 -9.999 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.220 -5.703 -12.304 1.00 0.00 N ATOM 0 H ARG A 176 20.396 -1.427 -9.511 1.00 0.00 H new ATOM 0 HA ARG A 176 19.168 -3.587 -7.896 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.361 -3.697 -10.008 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.496 -5.052 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.202 -2.843 -10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.642 -4.428 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.161 -5.350 -9.623 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.507 -3.726 -9.550 1.00 0.00 H new ATOM 0 HE ARG A 176 17.397 -4.462 -12.277 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.023 -5.495 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.588 -6.217 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.566 -5.449 -13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.330 -6.191 -12.208 1.00 0.00 H new ATOM 603 N THR A 177 20.915 -3.297 -6.111 1.00 0.00 N ATOM 604 CA THR A 177 21.948 -3.266 -5.084 1.00 0.00 C ATOM 605 C THR A 177 22.874 -4.475 -5.229 1.00 0.00 C ATOM 606 O THR A 177 22.496 -5.488 -5.820 1.00 0.00 O ATOM 607 CB THR A 177 21.297 -3.259 -3.695 1.00 0.00 C ATOM 608 OG1 THR A 177 20.519 -4.425 -3.532 1.00 0.00 O ATOM 609 CG2 THR A 177 20.407 -2.023 -3.540 1.00 0.00 C ATOM 0 H THR A 177 19.974 -3.470 -5.757 1.00 0.00 H new ATOM 0 HA THR A 177 22.541 -2.359 -5.203 1.00 0.00 H new ATOM 0 HB THR A 177 22.078 -3.233 -2.935 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.625 -4.764 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.949 -2.026 -2.551 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.011 -1.123 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.627 -2.039 -4.301 1.00 0.00 H new ATOM 617 N ASP A 178 24.087 -4.363 -4.676 1.00 0.00 N ATOM 618 CA ASP A 178 25.068 -5.440 -4.704 1.00 0.00 C ATOM 619 C ASP A 178 24.435 -6.743 -4.211 1.00 0.00 C ATOM 620 O ASP A 178 24.470 -7.758 -4.904 1.00 0.00 O ATOM 621 CB ASP A 178 26.263 -5.051 -3.819 1.00 0.00 C ATOM 622 CG ASP A 178 25.804 -4.344 -2.541 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.452 -5.064 -1.578 1.00 0.00 O ATOM 624 OD2 ASP A 178 25.805 -3.095 -2.556 1.00 0.00 O ATOM 0 H ASP A 178 24.411 -3.522 -4.198 1.00 0.00 H new ATOM 0 HA ASP A 178 25.413 -5.597 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.831 -5.944 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.934 -4.398 -4.377 1.00 0.00 H new ATOM 629 N ASN A 179 23.860 -6.699 -3.010 1.00 0.00 N ATOM 630 CA ASN A 179 23.222 -7.852 -2.394 1.00 0.00 C ATOM 631 C ASN A 179 22.102 -8.400 -3.282 1.00 0.00 C ATOM 632 O ASN A 179 21.982 -9.612 -3.434 1.00 0.00 O ATOM 633 CB ASN A 179 22.687 -7.462 -1.007 1.00 0.00 C ATOM 634 CG ASN A 179 21.952 -6.121 -1.036 1.00 0.00 C ATOM 635 OD1 ASN A 179 20.742 -6.076 -1.236 1.00 0.00 O ATOM 636 ND2 ASN A 179 22.690 -5.025 -0.833 1.00 0.00 N ATOM 0 H ASN A 179 23.826 -5.856 -2.437 1.00 0.00 H new ATOM 0 HA ASN A 179 23.961 -8.645 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 179 22.012 -8.238 -0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 179 23.515 -7.407 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 179 22.250 -4.105 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.693 -5.109 -0.670 1.00 0.00 H new ATOM 643 N ALA A 180 21.280 -7.519 -3.868 1.00 0.00 N ATOM 644 CA ALA A 180 20.183 -7.953 -4.725 1.00 0.00 C ATOM 645 C ALA A 180 20.726 -8.750 -5.912 1.00 0.00 C ATOM 646 O ALA A 180 20.230 -9.838 -6.204 1.00 0.00 O ATOM 647 CB ALA A 180 19.388 -6.738 -5.207 1.00 0.00 C ATOM 0 H ALA A 180 21.358 -6.508 -3.761 1.00 0.00 H new ATOM 0 HA ALA A 180 19.517 -8.600 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.570 -7.069 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.983 -6.204 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 180 20.044 -6.074 -5.771 1.00 0.00 H new ATOM 653 N ILE A 181 21.744 -8.211 -6.596 1.00 0.00 N ATOM 654 CA ILE A 181 22.332 -8.879 -7.750 1.00 0.00 C ATOM 655 C ILE A 181 22.964 -10.200 -7.316 1.00 0.00 C ATOM 656 O ILE A 181 22.795 -11.213 -7.989 1.00 0.00 O ATOM 657 CB ILE A 181 23.383 -7.975 -8.413 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.732 -6.671 -8.894 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.987 -8.708 -9.618 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.799 -5.587 -9.049 1.00 0.00 C ATOM 0 H ILE A 181 22.173 -7.315 -6.365 1.00 0.00 H new ATOM 0 HA ILE A 181 21.548 -9.084 -8.478 1.00 0.00 H new ATOM 0 HB ILE A 181 24.161 -7.739 -7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.226 -6.835 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.973 -6.348 -8.181 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.734 -8.072 -10.094 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.457 -9.632 -9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.199 -8.941 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.332 -4.663 -9.391 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.285 -5.415 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.542 -5.909 -9.779 1.00 0.00 H new ATOM 672 N LYS A 182 23.694 -10.187 -6.194 1.00 0.00 N ATOM 673 CA LYS A 182 24.348 -11.383 -5.689 1.00 0.00 C ATOM 674 C LYS A 182 23.318 -12.482 -5.463 1.00 0.00 C ATOM 675 O LYS A 182 23.483 -13.589 -5.956 1.00 0.00 O ATOM 676 CB LYS A 182 25.084 -11.060 -4.385 1.00 0.00 C ATOM 677 CG LYS A 182 25.792 -12.319 -3.871 1.00 0.00 C ATOM 678 CD LYS A 182 26.545 -11.998 -2.576 1.00 0.00 C ATOM 679 CE LYS A 182 26.788 -13.286 -1.779 1.00 0.00 C ATOM 680 NZ LYS A 182 27.441 -14.319 -2.605 1.00 0.00 N ATOM 0 H LYS A 182 23.842 -9.355 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 182 25.074 -11.734 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.810 -10.265 -4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.379 -10.696 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.063 -13.110 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.487 -12.690 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.496 -11.519 -2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.970 -11.292 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 182 27.410 -13.066 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 182 25.838 -13.667 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.891 -15.024 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.730 -14.786 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 28.163 -13.876 -3.208 1.00 0.00 H new ATOM 694 N ASN A 183 22.258 -12.173 -4.710 1.00 0.00 N ATOM 695 CA ASN A 183 21.210 -13.139 -4.408 1.00 0.00 C ATOM 696 C ASN A 183 20.599 -13.667 -5.704 1.00 0.00 C ATOM 697 O ASN A 183 20.458 -14.877 -5.876 1.00 0.00 O ATOM 698 CB ASN A 183 20.139 -12.473 -3.536 1.00 0.00 C ATOM 699 CG ASN A 183 20.701 -12.066 -2.174 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.770 -12.522 -1.774 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.975 -11.206 -1.460 1.00 0.00 N ATOM 0 H ASN A 183 22.107 -11.252 -4.298 1.00 0.00 H new ATOM 0 HA ASN A 183 21.635 -13.981 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.747 -11.593 -4.047 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.304 -13.159 -3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.301 -10.901 -0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 183 19.093 -10.852 -1.831 1.00 0.00 H new ATOM 708 N HIS A 184 20.240 -12.752 -6.612 1.00 0.00 N ATOM 709 CA HIS A 184 19.647 -13.109 -7.894 1.00 0.00 C ATOM 710 C HIS A 184 20.542 -14.100 -8.636 1.00 0.00 C ATOM 711 O HIS A 184 20.080 -15.154 -9.063 1.00 0.00 O ATOM 712 CB HIS A 184 19.448 -11.830 -8.713 1.00 0.00 C ATOM 713 CG HIS A 184 19.367 -12.078 -10.197 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.484 -12.987 -10.770 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.055 -11.540 -11.255 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.689 -12.937 -12.103 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.637 -12.072 -12.462 1.00 0.00 N ATOM 0 H HIS A 184 20.354 -11.748 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 184 18.682 -13.591 -7.737 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.534 -11.335 -8.384 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.272 -11.146 -8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.828 -10.793 -11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 184 18.138 -13.540 -12.810 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.973 -11.855 -13.400 1.00 0.00 H new ATOM 725 N TRP A 185 21.821 -13.762 -8.794 1.00 0.00 N ATOM 726 CA TRP A 185 22.756 -14.622 -9.494 1.00 0.00 C ATOM 727 C TRP A 185 22.929 -15.938 -8.738 1.00 0.00 C ATOM 728 O TRP A 185 23.039 -16.992 -9.352 1.00 0.00 O ATOM 729 CB TRP A 185 24.098 -13.904 -9.638 1.00 0.00 C ATOM 730 CG TRP A 185 25.097 -14.636 -10.478 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.896 -15.628 -10.057 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.416 -14.462 -11.890 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.686 -16.094 -11.076 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.434 -15.403 -12.245 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.951 -13.610 -12.912 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.960 -15.487 -13.536 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.476 -13.693 -14.218 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.479 -14.627 -14.528 1.00 0.00 C ATOM 0 H TRP A 185 22.228 -12.895 -8.443 1.00 0.00 H new ATOM 0 HA TRP A 185 22.367 -14.848 -10.487 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.926 -12.919 -10.073 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.521 -13.745 -8.646 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.915 -16.010 -9.047 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.367 -16.848 -10.983 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.182 -12.884 -12.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.730 -16.209 -13.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.104 -13.033 -14.987 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.878 -14.680 -15.530 1.00 0.00 H new ATOM 749 N ASN A 186 22.954 -15.874 -7.402 1.00 0.00 N ATOM 750 CA ASN A 186 23.157 -17.054 -6.565 1.00 0.00 C ATOM 751 C ASN A 186 21.850 -17.850 -6.427 1.00 0.00 C ATOM 752 O ASN A 186 21.588 -18.424 -5.369 1.00 0.00 O ATOM 753 CB ASN A 186 23.664 -16.617 -5.173 1.00 0.00 C ATOM 754 CG ASN A 186 25.085 -16.027 -5.201 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.683 -15.813 -4.148 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.629 -15.764 -6.388 1.00 0.00 N ATOM 0 H ASN A 186 22.835 -15.008 -6.877 1.00 0.00 H new ATOM 0 HA ASN A 186 23.900 -17.698 -7.035 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.979 -15.877 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.648 -17.476 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.569 -15.373 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.105 -15.954 -7.242 1.00 0.00 H new ATOM 763 N SER A 187 21.033 -17.898 -7.488 1.00 0.00 N ATOM 764 CA SER A 187 19.777 -18.636 -7.460 1.00 0.00 C ATOM 765 C SER A 187 19.255 -18.842 -8.881 1.00 0.00 C ATOM 766 O SER A 187 18.977 -19.971 -9.281 1.00 0.00 O ATOM 767 CB SER A 187 18.748 -17.880 -6.607 1.00 0.00 C ATOM 768 OG SER A 187 18.596 -16.562 -7.088 1.00 0.00 O ATOM 0 H SER A 187 21.226 -17.432 -8.374 1.00 0.00 H new ATOM 0 HA SER A 187 19.947 -19.616 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.790 -18.399 -6.634 1.00 0.00 H new ATOM 0 HB3 SER A 187 19.070 -17.861 -5.566 1.00 0.00 H new ATOM 0 HG SER A 187 19.253 -15.978 -6.655 1.00 0.00 H new ATOM 774 N THR A 188 19.119 -17.751 -9.640 1.00 0.00 N ATOM 775 CA THR A 188 18.600 -17.808 -10.996 1.00 0.00 C ATOM 776 C THR A 188 19.686 -18.280 -11.965 1.00 0.00 C ATOM 777 O THR A 188 19.422 -19.128 -12.815 1.00 0.00 O ATOM 778 CB THR A 188 18.088 -16.418 -11.399 1.00 0.00 C ATOM 779 OG1 THR A 188 17.307 -15.875 -10.353 1.00 0.00 O ATOM 780 CG2 THR A 188 17.232 -16.529 -12.663 1.00 0.00 C ATOM 0 H THR A 188 19.366 -16.812 -9.328 1.00 0.00 H new ATOM 0 HA THR A 188 17.777 -18.522 -11.038 1.00 0.00 H new ATOM 0 HB THR A 188 18.941 -15.767 -11.592 1.00 0.00 H new ATOM 0 HG1 THR A 188 17.486 -14.915 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.871 -15.540 -12.946 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.832 -16.941 -13.474 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.383 -17.185 -12.471 1.00 0.00 H new ATOM 788 N MET A 189 20.904 -17.728 -11.840 1.00 0.00 N ATOM 789 CA MET A 189 22.010 -18.079 -12.725 1.00 0.00 C ATOM 790 C MET A 189 23.212 -18.540 -11.904 1.00 0.00 C ATOM 791 O MET A 189 24.339 -18.108 -12.148 1.00 0.00 O ATOM 792 CB MET A 189 22.370 -16.864 -13.590 1.00 0.00 C ATOM 793 CG MET A 189 21.197 -16.516 -14.512 1.00 0.00 C ATOM 794 SD MET A 189 21.616 -15.335 -15.821 1.00 0.00 S ATOM 795 CE MET A 189 21.890 -13.865 -14.806 1.00 0.00 C ATOM 0 H MET A 189 21.141 -17.035 -11.130 1.00 0.00 H new ATOM 0 HA MET A 189 21.713 -18.900 -13.377 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.610 -16.012 -12.954 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.259 -17.079 -14.183 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.823 -17.432 -14.969 1.00 0.00 H new ATOM 0 HG3 MET A 189 20.385 -16.105 -13.912 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.827 -13.391 -15.098 1.00 0.00 H new ATOM 0 HE2 MET A 189 21.068 -13.164 -14.951 1.00 0.00 H new ATOM 0 HE3 MET A 189 21.941 -14.152 -13.756 1.00 0.00 H new ATOM 805 N ARG A 190 22.972 -19.428 -10.932 1.00 0.00 N ATOM 806 CA ARG A 190 24.039 -19.957 -10.100 1.00 0.00 C ATOM 807 C ARG A 190 24.902 -20.902 -10.933 1.00 0.00 C ATOM 808 O ARG A 190 26.130 -20.846 -10.869 1.00 0.00 O ATOM 809 CB ARG A 190 23.438 -20.683 -8.891 1.00 0.00 C ATOM 810 CG ARG A 190 24.543 -20.972 -7.868 1.00 0.00 C ATOM 811 CD ARG A 190 23.992 -21.838 -6.732 1.00 0.00 C ATOM 812 NE ARG A 190 23.012 -21.099 -5.924 1.00 0.00 N ATOM 813 CZ ARG A 190 22.385 -21.633 -4.861 1.00 0.00 C ATOM 814 NH1 ARG A 190 22.612 -22.908 -4.514 1.00 0.00 N ATOM 815 NH2 ARG A 190 21.533 -20.888 -4.148 1.00 0.00 N ATOM 0 H ARG A 190 22.045 -19.790 -10.709 1.00 0.00 H new ATOM 0 HA ARG A 190 24.665 -19.144 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 190 22.658 -20.072 -8.437 1.00 0.00 H new ATOM 0 HB3 ARG A 190 22.969 -21.614 -9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.375 -21.481 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 190 24.932 -20.036 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.525 -22.731 -7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 190 24.812 -22.173 -6.097 1.00 0.00 H new ATOM 0 HE ARG A 190 22.797 -20.136 -6.182 1.00 0.00 H new ATOM 0 HH11 ARG A 190 23.262 -23.476 -5.057 1.00 0.00 H new ATOM 0 HH12 ARG A 190 22.135 -23.310 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 190 21.360 -19.918 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 190 21.056 -21.290 -3.341 1.00 0.00 H new