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 187 SER OG : rot -100:sc= 1.19 USER MOD Set 1.2: A 188 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 159 HIS : no HD1:sc= -0.149 K(o=0.12,f=-3) USER MOD Set 2.2: A 164 ASN : amide:sc= 0.265 X(o=0.12,f=-0.21) USER MOD Set 3.1: A 157 GLN : amide:sc= 0.802 K(o=1.9,f=-5.7!) USER MOD Set 3.2: A 160 LYS NZ :NH3+ 177:sc= 1.06 (180deg=-0.211) USER MOD Single : A 148 THR OG1 : rot -76:sc= 1.17 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.22) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0.00635 USER MOD Single : A 179 ASN : amide:sc= -0.0861 X(o=-0.086,f=-0.086) USER MOD Single : A 182 LYS NZ :NH3+ -168:sc=-0.00641 (180deg=-0.145) USER MOD Single : A 183 ASN : amide:sc= -0.203 X(o=-0.2,f=-0.0021) USER MOD Single : A 184 HIS : no HD1:sc= -0.0873 K(o=-0.087,f=-0.69) USER MOD Single : A 186 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 189 MET CE :methyl 179:sc= -1.24 (180deg=-1.28) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.151 -9.208 -12.644 1.00 0.00 N ATOM 89 CA TRP A 147 14.295 -9.141 -13.544 1.00 0.00 C ATOM 90 C TRP A 147 13.846 -9.419 -14.978 1.00 0.00 C ATOM 91 O TRP A 147 12.744 -9.925 -15.197 1.00 0.00 O ATOM 92 CB TRP A 147 15.344 -10.159 -13.092 1.00 0.00 C ATOM 93 CG TRP A 147 16.184 -9.708 -11.938 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.061 -10.113 -10.663 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.284 -8.755 -11.934 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.000 -9.503 -9.862 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.793 -8.649 -10.603 1.00 0.00 C ATOM 98 CE3 TRP A 147 17.906 -7.967 -12.919 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.868 -7.817 -10.278 1.00 0.00 C ATOM 100 CZ3 TRP A 147 18.987 -7.121 -12.596 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.471 -7.054 -11.284 1.00 0.00 C ATOM 0 HA TRP A 147 14.734 -8.144 -13.516 1.00 0.00 H new ATOM 0 HB2 TRP A 147 14.840 -11.086 -12.819 1.00 0.00 H new ATOM 0 HB3 TRP A 147 15.997 -10.388 -13.934 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.325 -10.822 -10.313 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.097 -9.660 -8.859 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.550 -8.010 -13.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.229 -7.764 -9.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.445 -6.520 -13.367 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.309 -6.414 -11.049 1.00 0.00 H new ATOM 112 N THR A 148 14.705 -9.077 -15.954 1.00 0.00 N ATOM 113 CA THR A 148 14.403 -9.268 -17.370 1.00 0.00 C ATOM 114 C THR A 148 15.598 -9.907 -18.080 1.00 0.00 C ATOM 115 O THR A 148 16.715 -9.878 -17.571 1.00 0.00 O ATOM 116 CB THR A 148 14.069 -7.911 -18.006 1.00 0.00 C ATOM 117 OG1 THR A 148 15.171 -7.039 -17.869 1.00 0.00 O ATOM 118 CG2 THR A 148 12.844 -7.297 -17.324 1.00 0.00 C ATOM 0 H THR A 148 15.621 -8.664 -15.778 1.00 0.00 H new ATOM 0 HA THR A 148 13.545 -9.933 -17.472 1.00 0.00 H new ATOM 0 HB THR A 148 13.851 -8.060 -19.063 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.218 -6.714 -16.946 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.616 -6.335 -17.783 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.990 -7.965 -17.439 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.052 -7.153 -16.264 1.00 0.00 H new ATOM 126 N GLU A 149 15.350 -10.482 -19.268 1.00 0.00 N ATOM 127 CA GLU A 149 16.391 -11.128 -20.061 1.00 0.00 C ATOM 128 C GLU A 149 17.525 -10.140 -20.346 1.00 0.00 C ATOM 129 O GLU A 149 18.698 -10.495 -20.242 1.00 0.00 O ATOM 130 CB GLU A 149 15.768 -11.651 -21.366 1.00 0.00 C ATOM 131 CG GLU A 149 16.796 -12.477 -22.163 1.00 0.00 C ATOM 132 CD GLU A 149 17.708 -11.594 -23.018 1.00 0.00 C ATOM 133 OE1 GLU A 149 17.226 -10.535 -23.472 1.00 0.00 O ATOM 134 OE2 GLU A 149 18.875 -11.998 -23.207 1.00 0.00 O ATOM 0 H GLU A 149 14.425 -10.509 -19.698 1.00 0.00 H new ATOM 0 HA GLU A 149 16.815 -11.967 -19.510 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.897 -12.265 -21.139 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.419 -10.814 -21.970 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.403 -13.063 -21.473 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.272 -13.185 -22.805 1.00 0.00 H new ATOM 141 N GLU A 150 17.171 -8.898 -20.701 1.00 0.00 N ATOM 142 CA GLU A 150 18.154 -7.865 -20.991 1.00 0.00 C ATOM 143 C GLU A 150 19.097 -7.706 -19.801 1.00 0.00 C ATOM 144 O GLU A 150 20.313 -7.761 -19.960 1.00 0.00 O ATOM 145 CB GLU A 150 17.424 -6.548 -21.298 1.00 0.00 C ATOM 146 CG GLU A 150 18.428 -5.458 -21.709 1.00 0.00 C ATOM 147 CD GLU A 150 19.110 -5.797 -23.031 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.376 -6.153 -23.978 1.00 0.00 O ATOM 149 OE2 GLU A 150 20.356 -5.698 -23.073 1.00 0.00 O ATOM 0 H GLU A 150 16.203 -8.590 -20.793 1.00 0.00 H new ATOM 0 HA GLU A 150 18.749 -8.145 -21.860 1.00 0.00 H new ATOM 0 HB2 GLU A 150 16.701 -6.704 -22.098 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.864 -6.223 -20.421 1.00 0.00 H new ATOM 0 HG2 GLU A 150 17.912 -4.502 -21.799 1.00 0.00 H new ATOM 0 HG3 GLU A 150 19.181 -5.342 -20.929 1.00 0.00 H new ATOM 156 N GLU A 151 18.532 -7.510 -18.609 1.00 0.00 N ATOM 157 CA GLU A 151 19.321 -7.330 -17.405 1.00 0.00 C ATOM 158 C GLU A 151 20.191 -8.561 -17.140 1.00 0.00 C ATOM 159 O GLU A 151 21.386 -8.427 -16.901 1.00 0.00 O ATOM 160 CB GLU A 151 18.390 -7.073 -16.230 1.00 0.00 C ATOM 161 CG GLU A 151 17.768 -5.679 -16.345 1.00 0.00 C ATOM 162 CD GLU A 151 16.747 -5.458 -15.239 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.672 -6.092 -15.321 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.057 -4.663 -14.321 1.00 0.00 O ATOM 0 H GLU A 151 17.524 -7.473 -18.459 1.00 0.00 H new ATOM 0 HA GLU A 151 19.983 -6.474 -17.535 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.605 -7.829 -16.206 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.942 -7.157 -15.294 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.548 -4.920 -16.285 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.289 -5.567 -17.318 1.00 0.00 H new ATOM 171 N ASP A 152 19.594 -9.760 -17.182 1.00 0.00 N ATOM 172 CA ASP A 152 20.335 -11.000 -16.958 1.00 0.00 C ATOM 173 C ASP A 152 21.555 -11.043 -17.881 1.00 0.00 C ATOM 174 O ASP A 152 22.657 -11.383 -17.450 1.00 0.00 O ATOM 175 CB ASP A 152 19.420 -12.204 -17.226 1.00 0.00 C ATOM 176 CG ASP A 152 18.488 -12.477 -16.048 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.007 -11.488 -15.454 1.00 0.00 O ATOM 178 OD2 ASP A 152 18.271 -13.678 -15.765 1.00 0.00 O ATOM 0 H ASP A 152 18.600 -9.893 -17.369 1.00 0.00 H new ATOM 0 HA ASP A 152 20.675 -11.040 -15.923 1.00 0.00 H new ATOM 0 HB2 ASP A 152 18.829 -12.019 -18.123 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.028 -13.087 -17.421 1.00 0.00 H new ATOM 183 N ARG A 153 21.346 -10.692 -19.153 1.00 0.00 N ATOM 184 CA ARG A 153 22.403 -10.684 -20.148 1.00 0.00 C ATOM 185 C ARG A 153 23.461 -9.626 -19.801 1.00 0.00 C ATOM 186 O ARG A 153 24.653 -9.869 -19.983 1.00 0.00 O ATOM 187 CB ARG A 153 21.771 -10.429 -21.519 1.00 0.00 C ATOM 188 CG ARG A 153 22.853 -10.327 -22.601 1.00 0.00 C ATOM 189 CD ARG A 153 22.251 -10.661 -23.977 1.00 0.00 C ATOM 190 NE ARG A 153 20.831 -10.276 -24.058 1.00 0.00 N ATOM 191 CZ ARG A 153 20.409 -9.006 -24.166 1.00 0.00 C ATOM 192 NH1 ARG A 153 21.288 -7.997 -24.152 1.00 0.00 N ATOM 193 NH2 ARG A 153 19.103 -8.749 -24.281 1.00 0.00 N ATOM 0 H ARG A 153 20.436 -10.406 -19.514 1.00 0.00 H new ATOM 0 HA ARG A 153 22.915 -11.646 -20.166 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.080 -11.236 -21.763 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.189 -9.508 -21.491 1.00 0.00 H new ATOM 0 HG2 ARG A 153 23.274 -9.322 -22.613 1.00 0.00 H new ATOM 0 HG3 ARG A 153 23.670 -11.012 -22.376 1.00 0.00 H new ATOM 0 HD2 ARG A 153 22.813 -10.145 -24.755 1.00 0.00 H new ATOM 0 HD3 ARG A 153 22.350 -11.730 -24.168 1.00 0.00 H new ATOM 0 HE ARG A 153 20.129 -11.016 -24.030 1.00 0.00 H new ATOM 0 HH11 ARG A 153 22.285 -8.191 -24.059 1.00 0.00 H new ATOM 0 HH12 ARG A 153 20.961 -7.034 -24.234 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.431 -9.516 -24.286 1.00 0.00 H new ATOM 0 HH22 ARG A 153 18.778 -7.786 -24.363 1.00 0.00 H new ATOM 207 N ILE A 154 23.033 -8.459 -19.296 1.00 0.00 N ATOM 208 CA ILE A 154 23.967 -7.402 -18.909 1.00 0.00 C ATOM 209 C ILE A 154 24.866 -7.910 -17.780 1.00 0.00 C ATOM 210 O ILE A 154 26.088 -7.769 -17.849 1.00 0.00 O ATOM 211 CB ILE A 154 23.190 -6.142 -18.469 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.532 -5.472 -19.695 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.140 -5.154 -17.777 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.549 -4.629 -20.476 1.00 0.00 C ATOM 0 H ILE A 154 22.050 -8.228 -19.148 1.00 0.00 H new ATOM 0 HA ILE A 154 24.590 -7.133 -19.762 1.00 0.00 H new ATOM 0 HB ILE A 154 22.411 -6.435 -17.765 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.110 -6.236 -20.348 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.706 -4.840 -19.368 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.584 -4.268 -17.470 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.581 -5.627 -16.900 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.931 -4.864 -18.469 1.00 0.00 H new ATOM 0 HD11 ILE A 154 23.058 -4.169 -21.334 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.951 -3.851 -19.827 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.361 -5.268 -20.822 1.00 0.00 H new ATOM 226 N ILE A 155 24.260 -8.501 -16.741 1.00 0.00 N ATOM 227 CA ILE A 155 25.011 -9.021 -15.608 1.00 0.00 C ATOM 228 C ILE A 155 25.965 -10.108 -16.091 1.00 0.00 C ATOM 229 O ILE A 155 27.101 -10.154 -15.659 1.00 0.00 O ATOM 230 CB ILE A 155 24.055 -9.569 -14.532 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.114 -8.455 -14.051 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.869 -10.089 -13.334 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.890 -9.070 -13.376 1.00 0.00 C ATOM 0 H ILE A 155 23.250 -8.627 -16.669 1.00 0.00 H new ATOM 0 HA ILE A 155 25.590 -8.215 -15.158 1.00 0.00 H new ATOM 0 HB ILE A 155 23.468 -10.381 -14.961 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.636 -7.801 -13.353 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.804 -7.838 -14.895 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.191 -10.476 -12.574 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.536 -10.885 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.458 -9.274 -12.913 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.225 -8.276 -13.036 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.363 -9.705 -14.088 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.208 -9.668 -12.522 1.00 0.00 H new ATOM 245 N TYR A 156 25.502 -10.981 -16.994 1.00 0.00 N ATOM 246 CA TYR A 156 26.339 -12.047 -17.530 1.00 0.00 C ATOM 247 C TYR A 156 27.576 -11.458 -18.206 1.00 0.00 C ATOM 248 O TYR A 156 28.695 -11.877 -17.921 1.00 0.00 O ATOM 249 CB TYR A 156 25.531 -12.890 -18.520 1.00 0.00 C ATOM 250 CG TYR A 156 26.385 -13.863 -19.306 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.815 -15.063 -18.710 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.760 -13.563 -20.629 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.617 -15.960 -19.437 1.00 0.00 C ATOM 254 CE2 TYR A 156 27.562 -14.460 -21.353 1.00 0.00 C ATOM 255 CZ TYR A 156 27.990 -15.658 -20.758 1.00 0.00 C ATOM 256 OH TYR A 156 28.771 -16.527 -21.463 1.00 0.00 O ATOM 0 H TYR A 156 24.552 -10.965 -17.365 1.00 0.00 H new ATOM 0 HA TYR A 156 26.670 -12.688 -16.713 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.766 -13.444 -17.976 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.013 -12.228 -19.214 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.529 -15.295 -17.695 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.431 -12.642 -21.088 1.00 0.00 H new ATOM 0 HE1 TYR A 156 27.947 -16.881 -18.980 1.00 0.00 H new ATOM 0 HE2 TYR A 156 27.850 -14.228 -22.368 1.00 0.00 H new ATOM 0 HH TYR A 156 28.935 -16.166 -22.359 1.00 0.00 H new ATOM 266 N GLN A 157 27.371 -10.492 -19.106 1.00 0.00 N ATOM 267 CA GLN A 157 28.465 -9.876 -19.840 1.00 0.00 C ATOM 268 C GLN A 157 29.474 -9.248 -18.875 1.00 0.00 C ATOM 269 O GLN A 157 30.676 -9.486 -18.996 1.00 0.00 O ATOM 270 CB GLN A 157 27.894 -8.822 -20.798 1.00 0.00 C ATOM 271 CG GLN A 157 28.986 -8.329 -21.755 1.00 0.00 C ATOM 272 CD GLN A 157 29.497 -9.462 -22.641 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.651 -9.869 -22.532 1.00 0.00 O ATOM 274 NE2 GLN A 157 28.634 -9.974 -23.517 1.00 0.00 N ATOM 0 H GLN A 157 26.450 -10.122 -19.340 1.00 0.00 H new ATOM 0 HA GLN A 157 28.991 -10.637 -20.417 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.067 -9.247 -21.367 1.00 0.00 H new ATOM 0 HB3 GLN A 157 27.492 -7.983 -20.230 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.592 -7.526 -22.378 1.00 0.00 H new ATOM 0 HG3 GLN A 157 29.813 -7.911 -21.182 1.00 0.00 H new ATOM 0 HE21 GLN A 157 27.685 -9.605 -23.573 1.00 0.00 H new ATOM 0 HE22 GLN A 157 28.922 -10.735 -24.132 1.00 0.00 H new ATOM 283 N ALA A 158 28.986 -8.446 -17.923 1.00 0.00 N ATOM 284 CA ALA A 158 29.848 -7.773 -16.962 1.00 0.00 C ATOM 285 C ALA A 158 30.554 -8.796 -16.069 1.00 0.00 C ATOM 286 O ALA A 158 31.776 -8.802 -15.984 1.00 0.00 O ATOM 287 CB ALA A 158 29.007 -6.811 -16.121 1.00 0.00 C ATOM 0 H ALA A 158 27.992 -8.250 -17.802 1.00 0.00 H new ATOM 0 HA ALA A 158 30.614 -7.209 -17.494 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.647 -6.304 -15.399 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.538 -6.073 -16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.235 -7.370 -15.592 1.00 0.00 H new ATOM 293 N HIS A 159 29.772 -9.651 -15.406 1.00 0.00 N ATOM 294 CA HIS A 159 30.287 -10.667 -14.493 1.00 0.00 C ATOM 295 C HIS A 159 31.356 -11.528 -15.166 1.00 0.00 C ATOM 296 O HIS A 159 32.347 -11.881 -14.538 1.00 0.00 O ATOM 297 CB HIS A 159 29.119 -11.539 -14.021 1.00 0.00 C ATOM 298 CG HIS A 159 29.534 -12.590 -13.028 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.085 -13.809 -13.406 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.486 -12.635 -11.661 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.329 -14.493 -12.271 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.985 -13.830 -11.167 1.00 0.00 N ATOM 0 H HIS A 159 28.755 -9.655 -15.490 1.00 0.00 H new ATOM 0 HA HIS A 159 30.755 -10.176 -13.640 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.357 -10.903 -13.571 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.662 -12.023 -14.884 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.105 -11.836 -11.042 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.761 -15.483 -12.257 1.00 0.00 H new ATOM 0 HE2 HIS A 159 30.069 -14.129 -10.195 1.00 0.00 H new ATOM 310 N LYS A 160 31.152 -11.874 -16.437 1.00 0.00 N ATOM 311 CA LYS A 160 32.089 -12.712 -17.171 1.00 0.00 C ATOM 312 C LYS A 160 33.484 -12.069 -17.220 1.00 0.00 C ATOM 313 O LYS A 160 34.483 -12.782 -17.294 1.00 0.00 O ATOM 314 CB LYS A 160 31.539 -12.941 -18.583 1.00 0.00 C ATOM 315 CG LYS A 160 32.524 -13.778 -19.409 1.00 0.00 C ATOM 316 CD LYS A 160 31.831 -14.319 -20.670 1.00 0.00 C ATOM 317 CE LYS A 160 31.151 -13.182 -21.449 1.00 0.00 C ATOM 318 NZ LYS A 160 32.093 -12.085 -21.739 1.00 0.00 N ATOM 0 H LYS A 160 30.339 -11.582 -16.979 1.00 0.00 H new ATOM 0 HA LYS A 160 32.197 -13.670 -16.662 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.576 -13.450 -18.528 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.366 -11.983 -19.073 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.384 -13.169 -19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.902 -14.606 -18.809 1.00 0.00 H new ATOM 0 HD2 LYS A 160 32.562 -14.816 -21.307 1.00 0.00 H new ATOM 0 HD3 LYS A 160 31.090 -15.068 -20.390 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.746 -13.571 -22.383 1.00 0.00 H new ATOM 0 HE3 LYS A 160 30.310 -12.797 -20.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.615 -11.358 -22.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.421 -11.664 -20.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 32.908 -12.458 -22.266 1.00 0.00 H new ATOM 332 N ARG A 161 33.550 -10.730 -17.189 1.00 0.00 N ATOM 333 CA ARG A 161 34.819 -10.014 -17.273 1.00 0.00 C ATOM 334 C ARG A 161 35.310 -9.588 -15.883 1.00 0.00 C ATOM 335 O ARG A 161 36.494 -9.719 -15.578 1.00 0.00 O ATOM 336 CB ARG A 161 34.629 -8.786 -18.172 1.00 0.00 C ATOM 337 CG ARG A 161 35.981 -8.113 -18.430 1.00 0.00 C ATOM 338 CD ARG A 161 35.786 -6.903 -19.346 1.00 0.00 C ATOM 339 NE ARG A 161 37.071 -6.249 -19.626 1.00 0.00 N ATOM 340 CZ ARG A 161 37.180 -5.124 -20.355 1.00 0.00 C ATOM 341 NH1 ARG A 161 36.086 -4.541 -20.865 1.00 0.00 N ATOM 342 NH2 ARG A 161 38.386 -4.585 -20.574 1.00 0.00 N ATOM 0 H ARG A 161 32.733 -10.125 -17.106 1.00 0.00 H new ATOM 0 HA ARG A 161 35.576 -10.674 -17.697 1.00 0.00 H new ATOM 0 HB2 ARG A 161 34.175 -9.083 -19.117 1.00 0.00 H new ATOM 0 HB3 ARG A 161 33.946 -8.080 -17.699 1.00 0.00 H new ATOM 0 HG2 ARG A 161 36.428 -7.799 -17.487 1.00 0.00 H new ATOM 0 HG3 ARG A 161 36.670 -8.822 -18.889 1.00 0.00 H new ATOM 0 HD2 ARG A 161 35.323 -7.219 -20.280 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.105 -6.192 -18.877 1.00 0.00 H new ATOM 0 HE ARG A 161 37.921 -6.668 -19.250 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.166 -4.950 -20.701 1.00 0.00 H new ATOM 0 HH12 ARG A 161 36.173 -3.688 -21.417 1.00 0.00 H new ATOM 0 HH21 ARG A 161 39.220 -5.028 -20.188 1.00 0.00 H new ATOM 0 HH22 ARG A 161 38.471 -3.732 -21.127 1.00 0.00 H new ATOM 356 N LEU A 162 34.405 -9.061 -15.053 1.00 0.00 N ATOM 357 CA LEU A 162 34.764 -8.540 -13.739 1.00 0.00 C ATOM 358 C LEU A 162 34.801 -9.652 -12.691 1.00 0.00 C ATOM 359 O LEU A 162 35.717 -9.691 -11.868 1.00 0.00 O ATOM 360 CB LEU A 162 33.751 -7.461 -13.326 1.00 0.00 C ATOM 361 CG LEU A 162 33.682 -6.343 -14.382 1.00 0.00 C ATOM 362 CD1 LEU A 162 32.631 -5.316 -13.957 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.043 -5.651 -14.512 1.00 0.00 C ATOM 0 H LEU A 162 33.412 -8.986 -15.274 1.00 0.00 H new ATOM 0 HA LEU A 162 35.762 -8.107 -13.800 1.00 0.00 H new ATOM 0 HB2 LEU A 162 32.766 -7.910 -13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.035 -7.040 -12.362 1.00 0.00 H new ATOM 0 HG LEU A 162 33.413 -6.778 -15.345 1.00 0.00 H new ATOM 0 HD11 LEU A 162 32.577 -4.521 -14.701 1.00 0.00 H new ATOM 0 HD12 LEU A 162 31.659 -5.803 -13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 162 32.907 -4.891 -12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 162 34.980 -4.863 -15.262 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.324 -5.217 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 162 35.795 -6.380 -14.814 1.00 0.00 H new ATOM 375 N GLY A 163 33.803 -10.539 -12.711 1.00 0.00 N ATOM 376 CA GLY A 163 33.684 -11.616 -11.737 1.00 0.00 C ATOM 377 C GLY A 163 32.524 -11.306 -10.798 1.00 0.00 C ATOM 378 O GLY A 163 31.577 -10.628 -11.193 1.00 0.00 O ATOM 0 H GLY A 163 33.056 -10.527 -13.406 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.515 -12.566 -12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.610 -11.717 -11.171 1.00 0.00 H new ATOM 382 N ASN A 164 32.594 -11.787 -9.549 1.00 0.00 N ATOM 383 CA ASN A 164 31.538 -11.539 -8.566 1.00 0.00 C ATOM 384 C ASN A 164 31.689 -10.137 -7.965 1.00 0.00 C ATOM 385 O ASN A 164 31.297 -9.910 -6.821 1.00 0.00 O ATOM 386 CB ASN A 164 31.593 -12.597 -7.457 1.00 0.00 C ATOM 387 CG ASN A 164 31.501 -14.010 -8.027 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.408 -14.547 -8.179 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.650 -14.612 -8.339 1.00 0.00 N ATOM 0 H ASN A 164 33.370 -12.348 -9.199 1.00 0.00 H new ATOM 0 HA ASN A 164 30.572 -11.602 -9.067 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.521 -12.490 -6.896 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.775 -12.433 -6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.643 -15.558 -8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.536 -14.127 -8.195 1.00 0.00 H new ATOM 396 N ARG A 165 32.253 -9.194 -8.733 1.00 0.00 N ATOM 397 CA ARG A 165 32.430 -7.831 -8.271 1.00 0.00 C ATOM 398 C ARG A 165 31.130 -7.066 -8.478 1.00 0.00 C ATOM 399 O ARG A 165 31.038 -6.195 -9.345 1.00 0.00 O ATOM 400 CB ARG A 165 33.593 -7.175 -9.024 1.00 0.00 C ATOM 401 CG ARG A 165 34.919 -7.582 -8.373 1.00 0.00 C ATOM 402 CD ARG A 165 36.079 -6.853 -9.054 1.00 0.00 C ATOM 403 NE ARG A 165 36.454 -7.515 -10.308 1.00 0.00 N ATOM 404 CZ ARG A 165 37.437 -7.070 -11.108 1.00 0.00 C ATOM 405 NH1 ARG A 165 38.045 -5.905 -10.845 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.808 -7.796 -12.168 1.00 0.00 N ATOM 0 H ARG A 165 32.592 -9.362 -9.680 1.00 0.00 H new ATOM 0 HA ARG A 165 32.674 -7.820 -7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.581 -7.480 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.485 -6.090 -9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 165 34.901 -7.342 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 165 35.058 -8.660 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 165 35.796 -5.820 -9.255 1.00 0.00 H new ATOM 0 HD3 ARG A 165 36.938 -6.823 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 165 35.944 -8.353 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.762 -5.353 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.791 -5.570 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.345 -8.683 -12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.554 -7.463 -12.779 1.00 0.00 H new ATOM 420 N TRP A 166 30.120 -7.396 -7.666 1.00 0.00 N ATOM 421 CA TRP A 166 28.827 -6.742 -7.737 1.00 0.00 C ATOM 422 C TRP A 166 28.969 -5.275 -7.376 1.00 0.00 C ATOM 423 O TRP A 166 28.074 -4.506 -7.637 1.00 0.00 O ATOM 424 CB TRP A 166 27.837 -7.414 -6.787 1.00 0.00 C ATOM 425 CG TRP A 166 27.983 -8.889 -6.675 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.464 -9.530 -5.609 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.662 -9.926 -7.644 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.482 -10.887 -5.814 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.990 -11.195 -7.071 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.129 -9.932 -8.952 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.801 -12.397 -7.754 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.933 -11.145 -9.647 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.272 -12.374 -9.048 1.00 0.00 C ATOM 0 H TRP A 166 30.183 -8.119 -6.949 1.00 0.00 H new ATOM 0 HA TRP A 166 28.449 -6.827 -8.756 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.952 -6.975 -5.796 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.824 -7.188 -7.121 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.796 -9.045 -4.703 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.812 -11.573 -5.135 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.868 -8.997 -9.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.061 -13.336 -7.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.520 -11.131 -10.645 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.123 -13.298 -9.588 1.00 0.00 H new ATOM 444 N ALA A 167 30.097 -4.885 -6.774 1.00 0.00 N ATOM 445 CA ALA A 167 30.331 -3.499 -6.426 1.00 0.00 C ATOM 446 C ALA A 167 30.294 -2.649 -7.695 1.00 0.00 C ATOM 447 O ALA A 167 29.649 -1.608 -7.727 1.00 0.00 O ATOM 448 CB ALA A 167 31.686 -3.375 -5.727 1.00 0.00 C ATOM 0 H ALA A 167 30.856 -5.517 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 167 29.556 -3.145 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.865 -2.333 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.686 -3.983 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.474 -3.721 -6.396 1.00 0.00 H new ATOM 454 N GLU A 168 30.989 -3.103 -8.742 1.00 0.00 N ATOM 455 CA GLU A 168 31.057 -2.381 -10.003 1.00 0.00 C ATOM 456 C GLU A 168 29.715 -2.454 -10.731 1.00 0.00 C ATOM 457 O GLU A 168 29.225 -1.441 -11.225 1.00 0.00 O ATOM 458 CB GLU A 168 32.184 -2.967 -10.863 1.00 0.00 C ATOM 459 CG GLU A 168 33.527 -2.335 -10.468 1.00 0.00 C ATOM 460 CD GLU A 168 33.818 -2.521 -8.981 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.239 -3.641 -8.622 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.611 -1.538 -8.230 1.00 0.00 O ATOM 0 H GLU A 168 31.515 -3.977 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 168 31.273 -1.330 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.229 -4.048 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 168 31.982 -2.782 -11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 168 34.328 -2.784 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.514 -1.272 -10.707 1.00 0.00 H new ATOM 469 N ILE A 169 29.118 -3.650 -10.800 1.00 0.00 N ATOM 470 CA ILE A 169 27.835 -3.825 -11.475 1.00 0.00 C ATOM 471 C ILE A 169 26.768 -2.981 -10.765 1.00 0.00 C ATOM 472 O ILE A 169 25.939 -2.341 -11.413 1.00 0.00 O ATOM 473 CB ILE A 169 27.461 -5.319 -11.486 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.584 -6.121 -12.171 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.144 -5.518 -12.251 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.218 -7.606 -12.239 1.00 0.00 C ATOM 0 H ILE A 169 29.504 -4.504 -10.398 1.00 0.00 H new ATOM 0 HA ILE A 169 27.902 -3.487 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 169 27.336 -5.669 -10.461 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.753 -5.736 -13.177 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.516 -5.995 -11.621 1.00 0.00 H new ATOM 0 HG21 ILE A 169 25.883 -6.576 -12.257 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.351 -4.951 -11.764 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.262 -5.168 -13.277 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.023 -8.157 -12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.073 -7.992 -11.230 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.297 -7.728 -12.810 1.00 0.00 H new ATOM 488 N ALA A 170 26.806 -2.983 -9.432 1.00 0.00 N ATOM 489 CA ALA A 170 25.870 -2.228 -8.612 1.00 0.00 C ATOM 490 C ALA A 170 26.085 -0.723 -8.816 1.00 0.00 C ATOM 491 O ALA A 170 25.121 0.031 -8.879 1.00 0.00 O ATOM 492 CB ALA A 170 26.055 -2.620 -7.137 1.00 0.00 C ATOM 0 H ALA A 170 27.491 -3.512 -8.893 1.00 0.00 H new ATOM 0 HA ALA A 170 24.848 -2.463 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.355 -2.056 -6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.866 -3.687 -7.018 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.075 -2.395 -6.826 1.00 0.00 H new ATOM 498 N LYS A 171 27.349 -0.284 -8.929 1.00 0.00 N ATOM 499 CA LYS A 171 27.653 1.125 -9.164 1.00 0.00 C ATOM 500 C LYS A 171 27.059 1.558 -10.505 1.00 0.00 C ATOM 501 O LYS A 171 26.465 2.630 -10.604 1.00 0.00 O ATOM 502 CB LYS A 171 29.171 1.342 -9.163 1.00 0.00 C ATOM 503 CG LYS A 171 29.697 1.404 -7.724 1.00 0.00 C ATOM 504 CD LYS A 171 31.215 1.182 -7.730 1.00 0.00 C ATOM 505 CE LYS A 171 31.698 0.818 -6.325 1.00 0.00 C ATOM 506 NZ LYS A 171 33.106 0.377 -6.353 1.00 0.00 N ATOM 0 H LYS A 171 28.169 -0.886 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 171 27.215 1.726 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.662 0.532 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.414 2.267 -9.687 1.00 0.00 H new ATOM 0 HG2 LYS A 171 29.461 2.371 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.209 0.645 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.471 0.386 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 171 31.721 2.084 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 171 31.595 1.680 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 171 31.072 0.026 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 33.418 0.151 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 33.193 -0.469 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 33.700 1.138 -6.740 1.00 0.00 H new ATOM 520 N LEU A 172 27.223 0.717 -11.536 1.00 0.00 N ATOM 521 CA LEU A 172 26.702 1.008 -12.866 1.00 0.00 C ATOM 522 C LEU A 172 25.172 1.046 -12.838 1.00 0.00 C ATOM 523 O LEU A 172 24.565 1.863 -13.529 1.00 0.00 O ATOM 524 CB LEU A 172 27.197 -0.058 -13.854 1.00 0.00 C ATOM 525 CG LEU A 172 28.704 0.110 -14.109 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.269 -1.190 -14.687 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.944 1.251 -15.104 1.00 0.00 C ATOM 0 H LEU A 172 27.716 -0.173 -11.467 1.00 0.00 H new ATOM 0 HA LEU A 172 27.061 1.985 -13.189 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.997 -1.053 -13.456 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.651 0.025 -14.794 1.00 0.00 H new ATOM 0 HG LEU A 172 29.201 0.344 -13.168 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.337 -1.073 -14.869 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.108 -2.003 -13.979 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.764 -1.421 -15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 172 30.014 1.363 -15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.445 1.024 -16.046 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.544 2.179 -14.696 1.00 0.00 H new ATOM 539 N LEU A 173 24.555 0.160 -12.039 1.00 0.00 N ATOM 540 CA LEU A 173 23.101 0.092 -11.913 1.00 0.00 C ATOM 541 C LEU A 173 22.703 0.327 -10.449 1.00 0.00 C ATOM 542 O LEU A 173 22.457 -0.633 -9.725 1.00 0.00 O ATOM 543 CB LEU A 173 22.617 -1.291 -12.381 1.00 0.00 C ATOM 544 CG LEU A 173 22.956 -1.515 -13.864 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.679 -2.976 -14.226 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.096 -0.604 -14.748 1.00 0.00 C ATOM 0 H LEU A 173 25.052 -0.523 -11.468 1.00 0.00 H new ATOM 0 HA LEU A 173 22.638 0.861 -12.532 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.083 -2.068 -11.775 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.540 -1.374 -12.233 1.00 0.00 H new ATOM 0 HG LEU A 173 24.008 -1.280 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 173 22.917 -3.142 -15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.296 -3.627 -13.607 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.627 -3.201 -14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.346 -0.772 -15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.042 -0.829 -14.586 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.288 0.438 -14.492 1.00 0.00 H new ATOM 558 N PRO A 174 22.638 1.605 -10.005 1.00 0.00 N ATOM 559 CA PRO A 174 22.302 1.945 -8.630 1.00 0.00 C ATOM 560 C PRO A 174 20.982 1.304 -8.198 1.00 0.00 C ATOM 561 O PRO A 174 20.848 0.876 -7.051 1.00 0.00 O ATOM 562 CB PRO A 174 22.225 3.474 -8.584 1.00 0.00 C ATOM 563 CG PRO A 174 22.690 3.986 -9.953 1.00 0.00 C ATOM 564 CD PRO A 174 22.898 2.759 -10.841 1.00 0.00 C ATOM 0 HA PRO A 174 23.052 1.565 -7.936 1.00 0.00 H new ATOM 0 HB2 PRO A 174 21.207 3.803 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 174 22.858 3.869 -7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.947 4.655 -10.387 1.00 0.00 H new ATOM 0 HG3 PRO A 174 23.615 4.555 -9.858 1.00 0.00 H new ATOM 0 HD2 PRO A 174 22.223 2.779 -11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.914 2.732 -11.236 1.00 0.00 H new ATOM 572 N GLY A 175 20.008 1.237 -9.115 1.00 0.00 N ATOM 573 CA GLY A 175 18.714 0.638 -8.824 1.00 0.00 C ATOM 574 C GLY A 175 18.893 -0.801 -8.341 1.00 0.00 C ATOM 575 O GLY A 175 18.183 -1.247 -7.438 1.00 0.00 O ATOM 0 H GLY A 175 20.100 1.594 -10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 175 18.198 1.223 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.089 0.654 -9.717 1.00 0.00 H new ATOM 579 N ARG A 176 19.845 -1.522 -8.944 1.00 0.00 N ATOM 580 CA ARG A 176 20.124 -2.902 -8.592 1.00 0.00 C ATOM 581 C ARG A 176 21.267 -2.945 -7.574 1.00 0.00 C ATOM 582 O ARG A 176 22.432 -2.837 -7.944 1.00 0.00 O ATOM 583 CB ARG A 176 20.503 -3.679 -9.860 1.00 0.00 C ATOM 584 CG ARG A 176 19.394 -3.572 -10.919 1.00 0.00 C ATOM 585 CD ARG A 176 18.093 -4.184 -10.390 1.00 0.00 C ATOM 586 NE ARG A 176 17.224 -4.604 -11.500 1.00 0.00 N ATOM 587 CZ ARG A 176 16.159 -5.406 -11.338 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.831 -5.865 -10.124 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.423 -5.751 -12.393 1.00 0.00 N ATOM 0 H ARG A 176 20.439 -1.157 -9.689 1.00 0.00 H new ATOM 0 HA ARG A 176 19.241 -3.361 -8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 176 21.437 -3.289 -10.265 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.675 -4.726 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 176 19.232 -2.527 -11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.701 -4.085 -11.830 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.320 -5.041 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.570 -3.457 -9.768 1.00 0.00 H new ATOM 0 HE ARG A 176 17.441 -4.270 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.392 -5.606 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 176 15.020 -6.474 -10.011 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.669 -5.406 -13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.614 -6.360 -12.273 1.00 0.00 H new ATOM 603 N THR A 177 20.931 -3.102 -6.289 1.00 0.00 N ATOM 604 CA THR A 177 21.935 -3.149 -5.234 1.00 0.00 C ATOM 605 C THR A 177 22.780 -4.417 -5.368 1.00 0.00 C ATOM 606 O THR A 177 22.360 -5.388 -6.000 1.00 0.00 O ATOM 607 CB THR A 177 21.243 -3.104 -3.867 1.00 0.00 C ATOM 608 OG1 THR A 177 20.231 -4.088 -3.812 1.00 0.00 O ATOM 609 CG2 THR A 177 20.622 -1.722 -3.647 1.00 0.00 C ATOM 0 H THR A 177 19.970 -3.198 -5.960 1.00 0.00 H new ATOM 0 HA THR A 177 22.596 -2.287 -5.324 1.00 0.00 H new ATOM 0 HB THR A 177 21.980 -3.298 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.792 -4.057 -2.936 1.00 0.00 H new ATOM 0 HG21 THR A 177 20.131 -1.694 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.403 -0.963 -3.681 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.889 -1.524 -4.429 1.00 0.00 H new ATOM 617 N ASP A 178 23.973 -4.404 -4.764 1.00 0.00 N ATOM 618 CA ASP A 178 24.879 -5.542 -4.800 1.00 0.00 C ATOM 619 C ASP A 178 24.182 -6.783 -4.243 1.00 0.00 C ATOM 620 O ASP A 178 24.309 -7.870 -4.802 1.00 0.00 O ATOM 621 CB ASP A 178 26.142 -5.214 -3.990 1.00 0.00 C ATOM 622 CG ASP A 178 25.823 -5.018 -2.509 1.00 0.00 C ATOM 623 OD1 ASP A 178 24.976 -4.143 -2.220 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.431 -5.747 -1.697 1.00 0.00 O ATOM 0 H ASP A 178 24.331 -3.605 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 178 25.167 -5.749 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.867 -6.020 -4.103 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.605 -4.310 -4.386 1.00 0.00 H new ATOM 629 N ASN A 179 23.441 -6.612 -3.143 1.00 0.00 N ATOM 630 CA ASN A 179 22.724 -7.708 -2.511 1.00 0.00 C ATOM 631 C ASN A 179 21.687 -8.281 -3.475 1.00 0.00 C ATOM 632 O ASN A 179 21.564 -9.498 -3.601 1.00 0.00 O ATOM 633 CB ASN A 179 22.044 -7.206 -1.232 1.00 0.00 C ATOM 634 CG ASN A 179 23.041 -6.514 -0.306 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.855 -5.354 0.048 1.00 0.00 O ATOM 636 ND2 ASN A 179 24.096 -7.227 0.086 1.00 0.00 N ATOM 0 H ASN A 179 23.326 -5.714 -2.674 1.00 0.00 H new ATOM 0 HA ASN A 179 23.429 -8.498 -2.252 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.244 -6.512 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.582 -8.044 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 179 24.791 -6.811 0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 179 24.209 -8.189 -0.234 1.00 0.00 H new ATOM 643 N ALA A 180 20.938 -7.399 -4.151 1.00 0.00 N ATOM 644 CA ALA A 180 19.903 -7.819 -5.083 1.00 0.00 C ATOM 645 C ALA A 180 20.513 -8.615 -6.236 1.00 0.00 C ATOM 646 O ALA A 180 20.032 -9.700 -6.555 1.00 0.00 O ATOM 647 CB ALA A 180 19.160 -6.589 -5.609 1.00 0.00 C ATOM 0 H ALA A 180 21.037 -6.388 -4.063 1.00 0.00 H new ATOM 0 HA ALA A 180 19.195 -8.466 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.384 -6.903 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.703 -6.056 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.863 -5.930 -6.120 1.00 0.00 H new ATOM 653 N ILE A 181 21.567 -8.074 -6.863 1.00 0.00 N ATOM 654 CA ILE A 181 22.211 -8.733 -7.992 1.00 0.00 C ATOM 655 C ILE A 181 22.787 -10.079 -7.556 1.00 0.00 C ATOM 656 O ILE A 181 22.536 -11.095 -8.199 1.00 0.00 O ATOM 657 CB ILE A 181 23.323 -7.840 -8.568 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.738 -6.510 -9.064 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.984 -8.567 -9.746 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.839 -5.447 -9.117 1.00 0.00 C ATOM 0 H ILE A 181 21.987 -7.182 -6.602 1.00 0.00 H new ATOM 0 HA ILE A 181 21.466 -8.905 -8.769 1.00 0.00 H new ATOM 0 HB ILE A 181 24.056 -7.635 -7.788 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.299 -6.642 -10.053 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.937 -6.184 -8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.774 -7.942 -10.162 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.410 -9.509 -9.400 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.238 -8.768 -10.515 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.419 -4.505 -9.470 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.258 -5.307 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.625 -5.771 -9.799 1.00 0.00 H new ATOM 672 N LYS A 182 23.567 -10.083 -6.467 1.00 0.00 N ATOM 673 CA LYS A 182 24.195 -11.297 -5.968 1.00 0.00 C ATOM 674 C LYS A 182 23.139 -12.368 -5.703 1.00 0.00 C ATOM 675 O LYS A 182 23.280 -13.500 -6.159 1.00 0.00 O ATOM 676 CB LYS A 182 24.980 -10.978 -4.691 1.00 0.00 C ATOM 677 CG LYS A 182 25.755 -12.220 -4.238 1.00 0.00 C ATOM 678 CD LYS A 182 26.575 -11.890 -2.988 1.00 0.00 C ATOM 679 CE LYS A 182 27.530 -13.046 -2.669 1.00 0.00 C ATOM 680 NZ LYS A 182 26.794 -14.302 -2.429 1.00 0.00 N ATOM 0 H LYS A 182 23.774 -9.249 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 182 24.885 -11.683 -6.718 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.669 -10.153 -4.873 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.298 -10.656 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.063 -13.035 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.413 -12.561 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.141 -10.972 -3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.910 -11.713 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 182 28.227 -13.183 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 182 28.124 -12.797 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 27.438 -15.009 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 26.011 -14.125 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 26.414 -14.659 -3.329 1.00 0.00 H new ATOM 694 N ASN A 183 22.083 -12.009 -4.964 1.00 0.00 N ATOM 695 CA ASN A 183 21.013 -12.941 -4.641 1.00 0.00 C ATOM 696 C ASN A 183 20.414 -13.510 -5.926 1.00 0.00 C ATOM 697 O ASN A 183 20.332 -14.725 -6.087 1.00 0.00 O ATOM 698 CB ASN A 183 19.943 -12.215 -3.819 1.00 0.00 C ATOM 699 CG ASN A 183 18.751 -13.126 -3.545 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.724 -13.829 -2.540 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.764 -13.112 -4.443 1.00 0.00 N ATOM 0 H ASN A 183 21.953 -11.073 -4.580 1.00 0.00 H new ATOM 0 HA ASN A 183 21.409 -13.769 -4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.371 -11.877 -2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.610 -11.326 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.943 -13.703 -4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.830 -12.511 -5.264 1.00 0.00 H new ATOM 708 N HIS A 184 19.997 -12.621 -6.835 1.00 0.00 N ATOM 709 CA HIS A 184 19.393 -13.012 -8.101 1.00 0.00 C ATOM 710 C HIS A 184 20.302 -13.975 -8.863 1.00 0.00 C ATOM 711 O HIS A 184 19.834 -14.981 -9.393 1.00 0.00 O ATOM 712 CB HIS A 184 19.124 -11.750 -8.927 1.00 0.00 C ATOM 713 CG HIS A 184 19.129 -12.000 -10.413 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.066 -12.591 -11.084 1.00 0.00 N ATOM 715 CD2 HIS A 184 20.064 -11.749 -11.385 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.417 -12.657 -12.385 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.629 -12.159 -12.634 1.00 0.00 N ATOM 0 H HIS A 184 20.072 -11.612 -6.708 1.00 0.00 H new ATOM 0 HA HIS A 184 18.454 -13.532 -7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.159 -11.334 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.878 -11.000 -8.689 1.00 0.00 H new ATOM 0 HD2 HIS A 184 21.023 -11.288 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.779 -13.073 -13.151 1.00 0.00 H new ATOM 0 HE2 HIS A 184 20.117 -12.096 -13.527 1.00 0.00 H new ATOM 725 N TRP A 185 21.597 -13.667 -8.929 1.00 0.00 N ATOM 726 CA TRP A 185 22.532 -14.501 -9.653 1.00 0.00 C ATOM 727 C TRP A 185 22.638 -15.874 -8.986 1.00 0.00 C ATOM 728 O TRP A 185 22.600 -16.897 -9.666 1.00 0.00 O ATOM 729 CB TRP A 185 23.897 -13.814 -9.729 1.00 0.00 C ATOM 730 CG TRP A 185 24.931 -14.574 -10.505 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.626 -15.621 -10.048 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.406 -14.370 -11.869 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.498 -16.095 -10.995 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.408 -15.353 -12.153 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.098 -13.461 -12.901 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.065 -15.423 -13.382 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.761 -13.527 -14.144 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.743 -14.504 -14.383 1.00 0.00 C ATOM 0 H TRP A 185 22.013 -12.847 -8.488 1.00 0.00 H new ATOM 0 HA TRP A 185 22.170 -14.648 -10.671 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.770 -12.831 -10.182 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.266 -13.653 -8.716 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.515 -16.040 -9.059 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.126 -16.887 -10.861 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.345 -12.704 -12.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.815 -16.180 -13.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.512 -12.819 -14.921 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.247 -14.544 -15.337 1.00 0.00 H new ATOM 749 N ASN A 186 22.770 -15.898 -7.655 1.00 0.00 N ATOM 750 CA ASN A 186 22.896 -17.148 -6.912 1.00 0.00 C ATOM 751 C ASN A 186 21.514 -17.773 -6.687 1.00 0.00 C ATOM 752 O ASN A 186 21.168 -18.135 -5.563 1.00 0.00 O ATOM 753 CB ASN A 186 23.608 -16.878 -5.580 1.00 0.00 C ATOM 754 CG ASN A 186 25.094 -16.604 -5.800 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.921 -17.495 -5.632 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.433 -15.370 -6.176 1.00 0.00 N ATOM 0 H ASN A 186 22.792 -15.061 -7.073 1.00 0.00 H new ATOM 0 HA ASN A 186 23.491 -17.858 -7.487 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.147 -16.024 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.487 -17.736 -4.918 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.413 -15.137 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 186 24.712 -14.660 -6.304 1.00 0.00 H new ATOM 763 N SER A 187 20.732 -17.907 -7.767 1.00 0.00 N ATOM 764 CA SER A 187 19.407 -18.512 -7.713 1.00 0.00 C ATOM 765 C SER A 187 18.871 -18.670 -9.135 1.00 0.00 C ATOM 766 O SER A 187 18.646 -19.788 -9.594 1.00 0.00 O ATOM 767 CB SER A 187 18.458 -17.652 -6.862 1.00 0.00 C ATOM 768 OG SER A 187 18.468 -16.318 -7.321 1.00 0.00 O ATOM 0 H SER A 187 21.006 -17.597 -8.699 1.00 0.00 H new ATOM 0 HA SER A 187 19.474 -19.494 -7.246 1.00 0.00 H new ATOM 0 HB2 SER A 187 17.446 -18.054 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.763 -17.687 -5.816 1.00 0.00 H new ATOM 0 HG SER A 187 19.048 -15.778 -6.744 1.00 0.00 H new ATOM 774 N THR A 188 18.670 -17.544 -9.828 1.00 0.00 N ATOM 775 CA THR A 188 18.162 -17.547 -11.192 1.00 0.00 C ATOM 776 C THR A 188 19.290 -17.870 -12.171 1.00 0.00 C ATOM 777 O THR A 188 19.100 -18.657 -13.097 1.00 0.00 O ATOM 778 CB THR A 188 17.549 -16.176 -11.503 1.00 0.00 C ATOM 779 OG1 THR A 188 16.602 -15.847 -10.508 1.00 0.00 O ATOM 780 CG2 THR A 188 16.857 -16.211 -12.868 1.00 0.00 C ATOM 0 H THR A 188 18.856 -16.613 -9.456 1.00 0.00 H new ATOM 0 HA THR A 188 17.393 -18.313 -11.297 1.00 0.00 H new ATOM 0 HB THR A 188 18.341 -15.427 -11.520 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.211 -14.970 -10.705 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.424 -15.234 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.586 -16.462 -13.639 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.068 -16.963 -12.857 1.00 0.00 H new ATOM 788 N MET A 189 20.465 -17.257 -11.968 1.00 0.00 N ATOM 789 CA MET A 189 21.609 -17.473 -12.842 1.00 0.00 C ATOM 790 C MET A 189 22.405 -18.682 -12.332 1.00 0.00 C ATOM 791 O MET A 189 21.849 -19.772 -12.214 1.00 0.00 O ATOM 792 CB MET A 189 22.480 -16.203 -12.890 1.00 0.00 C ATOM 793 CG MET A 189 21.629 -14.965 -13.230 1.00 0.00 C ATOM 794 SD MET A 189 21.300 -14.754 -14.994 1.00 0.00 S ATOM 795 CE MET A 189 22.917 -14.125 -15.495 1.00 0.00 C ATOM 0 H MET A 189 20.640 -16.607 -11.202 1.00 0.00 H new ATOM 0 HA MET A 189 21.273 -17.681 -13.858 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.972 -16.058 -11.928 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.266 -16.324 -13.635 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.679 -15.035 -12.700 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.137 -14.075 -12.858 1.00 0.00 H new ATOM 0 HE1 MET A 189 22.921 -13.947 -16.570 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.122 -13.191 -14.972 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.685 -14.857 -15.245 1.00 0.00 H new ATOM 805 N ARG A 190 23.703 -18.483 -12.030 1.00 0.00 N ATOM 806 CA ARG A 190 24.578 -19.535 -11.515 1.00 0.00 C ATOM 807 C ARG A 190 24.956 -20.512 -12.635 1.00 0.00 C ATOM 808 O ARG A 190 26.133 -20.634 -12.976 1.00 0.00 O ATOM 809 CB ARG A 190 23.901 -20.259 -10.338 1.00 0.00 C ATOM 810 CG ARG A 190 24.965 -20.869 -9.424 1.00 0.00 C ATOM 811 CD ARG A 190 24.287 -21.543 -8.230 1.00 0.00 C ATOM 812 NE ARG A 190 25.284 -22.093 -7.303 1.00 0.00 N ATOM 813 CZ ARG A 190 24.955 -22.743 -6.172 1.00 0.00 C ATOM 814 NH1 ARG A 190 23.667 -22.910 -5.841 1.00 0.00 N ATOM 815 NH2 ARG A 190 25.918 -23.224 -5.375 1.00 0.00 N ATOM 0 H ARG A 190 24.168 -17.582 -12.140 1.00 0.00 H new ATOM 0 HA ARG A 190 25.499 -19.084 -11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.283 -19.559 -9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 190 23.239 -21.040 -10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 190 25.560 -21.596 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 190 25.649 -20.095 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.659 -20.821 -7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 190 23.632 -22.340 -8.581 1.00 0.00 H new ATOM 0 HE ARG A 190 26.272 -21.977 -7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 190 22.933 -22.544 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 190 23.421 -23.403 -4.983 1.00 0.00 H new ATOM 0 HH21 ARG A 190 26.898 -23.097 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 190 25.671 -23.717 -4.517 1.00 0.00 H new