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= -0.653 X(o=-0.44,f=-0.61) USER MOD Set 1.2: A 188 THR OG1 : rot 128:sc= 0.212 USER MOD Set 2.1: A 177 THR OG1 : rot -36:sc= 1.26 USER MOD Set 2.2: A 179 ASN : amide:sc= -0.054 X(o=1.2,f=1.2) USER MOD Set 3.1: A 156 TYR OH : rot 150:sc= 0.747 USER MOD Set 3.2: A 160 LYS NZ :NH3+ 167:sc= 0.869 (180deg=-0.0855) USER MOD Set 4.1: A 159 HIS : no HE2:sc= -0.293 K(o=-0.3,f=-3.7) USER MOD Set 4.2: A 164 ASN : amide:sc=-0.00211 X(o=-0.3,f=-0.28) USER MOD Single : A 148 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 157 GLN : amide:sc= 1.13 K(o=1.1,f=-10!) USER MOD Single : A 171 LYS NZ :NH3+ 155:sc= 1.63 (180deg=1.59) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 186 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.7) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl -178:sc= -0.612 (180deg=-0.642) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 13.544 -8.948 -11.633 1.00 0.00 N ATOM 89 CA TRP A 147 14.506 -8.977 -12.738 1.00 0.00 C ATOM 90 C TRP A 147 13.857 -9.493 -14.025 1.00 0.00 C ATOM 91 O TRP A 147 12.730 -9.993 -14.010 1.00 0.00 O ATOM 92 CB TRP A 147 15.728 -9.824 -12.355 1.00 0.00 C ATOM 93 CG TRP A 147 16.572 -9.228 -11.277 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.527 -9.547 -9.973 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.601 -8.204 -11.389 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.442 -8.813 -9.256 1.00 0.00 N ATOM 97 CE2 TRP A 147 18.142 -7.958 -10.088 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.139 -7.452 -12.458 1.00 0.00 C ATOM 99 CZ2 TRP A 147 19.157 -7.025 -9.864 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.162 -6.508 -12.237 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.671 -6.298 -10.945 1.00 0.00 C ATOM 0 HA TRP A 147 14.840 -7.957 -12.929 1.00 0.00 H new ATOM 0 HB2 TRP A 147 15.387 -10.808 -12.032 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.344 -9.975 -13.242 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.861 -10.282 -9.545 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.585 -8.889 -8.249 1.00 0.00 H new ATOM 0 HE3 TRP A 147 17.761 -7.603 -13.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 19.541 -6.866 -8.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.557 -5.942 -13.067 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.458 -5.576 -10.785 1.00 0.00 H new ATOM 112 N THR A 148 14.583 -9.356 -15.142 1.00 0.00 N ATOM 113 CA THR A 148 14.108 -9.790 -16.446 1.00 0.00 C ATOM 114 C THR A 148 15.240 -10.489 -17.195 1.00 0.00 C ATOM 115 O THR A 148 16.415 -10.275 -16.893 1.00 0.00 O ATOM 116 CB THR A 148 13.609 -8.576 -17.244 1.00 0.00 C ATOM 117 OG1 THR A 148 14.656 -7.638 -17.384 1.00 0.00 O ATOM 118 CG2 THR A 148 12.430 -7.919 -16.523 1.00 0.00 C ATOM 0 H THR A 148 15.514 -8.941 -15.159 1.00 0.00 H new ATOM 0 HA THR A 148 13.283 -10.491 -16.320 1.00 0.00 H new ATOM 0 HB THR A 148 13.283 -8.911 -18.229 1.00 0.00 H new ATOM 0 HG1 THR A 148 14.867 -7.251 -16.509 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.085 -7.060 -17.098 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.618 -8.639 -16.423 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.746 -7.590 -15.533 1.00 0.00 H new ATOM 126 N GLU A 149 14.875 -11.322 -18.176 1.00 0.00 N ATOM 127 CA GLU A 149 15.844 -12.061 -18.976 1.00 0.00 C ATOM 128 C GLU A 149 16.802 -11.092 -19.675 1.00 0.00 C ATOM 129 O GLU A 149 17.949 -11.438 -19.946 1.00 0.00 O ATOM 130 CB GLU A 149 15.113 -12.923 -20.022 1.00 0.00 C ATOM 131 CG GLU A 149 13.899 -13.641 -19.406 1.00 0.00 C ATOM 132 CD GLU A 149 14.263 -14.354 -18.108 1.00 0.00 C ATOM 133 OE1 GLU A 149 15.135 -15.247 -18.176 1.00 0.00 O ATOM 134 OE2 GLU A 149 13.658 -13.993 -17.074 1.00 0.00 O ATOM 0 H GLU A 149 13.904 -11.499 -18.433 1.00 0.00 H new ATOM 0 HA GLU A 149 16.420 -12.711 -18.318 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.785 -12.294 -20.849 1.00 0.00 H new ATOM 0 HB3 GLU A 149 15.802 -13.659 -20.435 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.107 -12.917 -19.214 1.00 0.00 H new ATOM 0 HG3 GLU A 149 13.503 -14.364 -20.119 1.00 0.00 H new ATOM 141 N GLU A 150 16.324 -9.877 -19.972 1.00 0.00 N ATOM 142 CA GLU A 150 17.127 -8.872 -20.648 1.00 0.00 C ATOM 143 C GLU A 150 18.265 -8.413 -19.732 1.00 0.00 C ATOM 144 O GLU A 150 19.424 -8.400 -20.139 1.00 0.00 O ATOM 145 CB GLU A 150 16.228 -7.684 -21.038 1.00 0.00 C ATOM 146 CG GLU A 150 16.228 -7.497 -22.560 1.00 0.00 C ATOM 147 CD GLU A 150 17.631 -7.221 -23.089 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.328 -6.400 -22.457 1.00 0.00 O ATOM 149 OE2 GLU A 150 17.979 -7.841 -24.119 1.00 0.00 O ATOM 0 H GLU A 150 15.376 -9.573 -19.749 1.00 0.00 H new ATOM 0 HA GLU A 150 17.566 -9.295 -21.552 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.211 -7.857 -20.686 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.583 -6.775 -20.553 1.00 0.00 H new ATOM 0 HG2 GLU A 150 15.827 -8.391 -23.037 1.00 0.00 H new ATOM 0 HG3 GLU A 150 15.569 -6.671 -22.826 1.00 0.00 H new ATOM 156 N GLU A 151 17.928 -8.036 -18.491 1.00 0.00 N ATOM 157 CA GLU A 151 18.912 -7.553 -17.527 1.00 0.00 C ATOM 158 C GLU A 151 20.014 -8.591 -17.305 1.00 0.00 C ATOM 159 O GLU A 151 21.181 -8.226 -17.161 1.00 0.00 O ATOM 160 CB GLU A 151 18.211 -7.231 -16.207 1.00 0.00 C ATOM 161 CG GLU A 151 17.366 -5.963 -16.363 1.00 0.00 C ATOM 162 CD GLU A 151 16.497 -5.744 -15.133 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.464 -6.441 -15.036 1.00 0.00 O ATOM 164 OE2 GLU A 151 16.880 -4.886 -14.306 1.00 0.00 O ATOM 0 H GLU A 151 16.973 -8.059 -18.134 1.00 0.00 H new ATOM 0 HA GLU A 151 19.378 -6.650 -17.921 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.578 -8.066 -15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 151 18.949 -7.092 -15.417 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.017 -5.102 -16.513 1.00 0.00 H new ATOM 0 HG3 GLU A 151 16.737 -6.045 -17.249 1.00 0.00 H new ATOM 171 N ASP A 152 19.648 -9.882 -17.275 1.00 0.00 N ATOM 172 CA ASP A 152 20.617 -10.956 -17.063 1.00 0.00 C ATOM 173 C ASP A 152 21.769 -10.852 -18.066 1.00 0.00 C ATOM 174 O ASP A 152 22.896 -11.222 -17.744 1.00 0.00 O ATOM 175 CB ASP A 152 19.921 -12.315 -17.185 1.00 0.00 C ATOM 176 CG ASP A 152 19.238 -12.697 -15.878 1.00 0.00 C ATOM 177 OD1 ASP A 152 19.982 -12.959 -14.908 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.990 -12.721 -15.874 1.00 0.00 O ATOM 0 H ASP A 152 18.687 -10.202 -17.395 1.00 0.00 H new ATOM 0 HA ASP A 152 21.033 -10.859 -16.060 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.184 -12.280 -17.988 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.651 -13.078 -17.455 1.00 0.00 H new ATOM 183 N ARG A 153 21.495 -10.347 -19.278 1.00 0.00 N ATOM 184 CA ARG A 153 22.527 -10.194 -20.297 1.00 0.00 C ATOM 185 C ARG A 153 23.581 -9.199 -19.814 1.00 0.00 C ATOM 186 O ARG A 153 24.778 -9.444 -19.952 1.00 0.00 O ATOM 187 CB ARG A 153 21.905 -9.702 -21.609 1.00 0.00 C ATOM 188 CG ARG A 153 20.827 -10.678 -22.092 1.00 0.00 C ATOM 189 CD ARG A 153 20.184 -10.130 -23.367 1.00 0.00 C ATOM 190 NE ARG A 153 21.122 -10.182 -24.495 1.00 0.00 N ATOM 191 CZ ARG A 153 20.896 -9.573 -25.674 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.800 -8.823 -25.852 1.00 0.00 N ATOM 193 NH2 ARG A 153 21.773 -9.717 -26.676 1.00 0.00 N ATOM 0 H ARG A 153 20.567 -10.040 -19.570 1.00 0.00 H new ATOM 0 HA ARG A 153 22.999 -11.160 -20.474 1.00 0.00 H new ATOM 0 HB2 ARG A 153 21.470 -8.713 -21.463 1.00 0.00 H new ATOM 0 HB3 ARG A 153 22.679 -9.601 -22.370 1.00 0.00 H new ATOM 0 HG2 ARG A 153 21.266 -11.657 -22.284 1.00 0.00 H new ATOM 0 HG3 ARG A 153 20.071 -10.814 -21.319 1.00 0.00 H new ATOM 0 HD2 ARG A 153 19.291 -10.708 -23.605 1.00 0.00 H new ATOM 0 HD3 ARG A 153 19.863 -9.101 -23.203 1.00 0.00 H new ATOM 0 HE ARG A 153 21.989 -10.706 -24.380 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.130 -8.710 -25.091 1.00 0.00 H new ATOM 0 HH12 ARG A 153 19.636 -8.365 -26.748 1.00 0.00 H new ATOM 0 HH21 ARG A 153 22.609 -10.287 -26.544 1.00 0.00 H new ATOM 0 HH22 ARG A 153 21.605 -9.257 -27.571 1.00 0.00 H new ATOM 207 N ILE A 154 23.127 -8.073 -19.250 1.00 0.00 N ATOM 208 CA ILE A 154 24.021 -7.033 -18.761 1.00 0.00 C ATOM 209 C ILE A 154 24.853 -7.575 -17.602 1.00 0.00 C ATOM 210 O ILE A 154 26.074 -7.411 -17.584 1.00 0.00 O ATOM 211 CB ILE A 154 23.199 -5.810 -18.312 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.233 -5.355 -19.427 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.146 -4.662 -17.940 1.00 0.00 C ATOM 214 CD1 ILE A 154 22.974 -5.150 -20.755 1.00 0.00 C ATOM 0 H ILE A 154 22.137 -7.864 -19.123 1.00 0.00 H new ATOM 0 HA ILE A 154 24.695 -6.725 -19.561 1.00 0.00 H new ATOM 0 HB ILE A 154 22.606 -6.091 -17.442 1.00 0.00 H new ATOM 0 HG12 ILE A 154 21.448 -6.099 -19.557 1.00 0.00 H new ATOM 0 HG13 ILE A 154 21.746 -4.426 -19.132 1.00 0.00 H new ATOM 0 HG21 ILE A 154 23.563 -3.798 -17.623 1.00 0.00 H new ATOM 0 HG22 ILE A 154 24.799 -4.978 -17.126 1.00 0.00 H new ATOM 0 HG23 ILE A 154 24.750 -4.394 -18.806 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.267 -4.830 -21.520 1.00 0.00 H new ATOM 0 HD12 ILE A 154 23.742 -4.387 -20.629 1.00 0.00 H new ATOM 0 HD13 ILE A 154 23.440 -6.087 -21.060 1.00 0.00 H new ATOM 226 N ILE A 155 24.190 -8.222 -16.634 1.00 0.00 N ATOM 227 CA ILE A 155 24.875 -8.778 -15.476 1.00 0.00 C ATOM 228 C ILE A 155 25.907 -9.806 -15.944 1.00 0.00 C ATOM 229 O ILE A 155 27.018 -9.840 -15.428 1.00 0.00 O ATOM 230 CB ILE A 155 23.861 -9.418 -14.507 1.00 0.00 C ATOM 231 CG1 ILE A 155 22.794 -8.386 -14.099 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.599 -9.906 -13.251 1.00 0.00 C ATOM 233 CD1 ILE A 155 21.667 -9.076 -13.324 1.00 0.00 C ATOM 0 H ILE A 155 23.181 -8.369 -16.637 1.00 0.00 H new ATOM 0 HA ILE A 155 25.389 -7.980 -14.941 1.00 0.00 H new ATOM 0 HB ILE A 155 23.374 -10.258 -15.003 1.00 0.00 H new ATOM 0 HG12 ILE A 155 23.246 -7.607 -13.484 1.00 0.00 H new ATOM 0 HG13 ILE A 155 22.391 -7.898 -14.986 1.00 0.00 H new ATOM 0 HG21 ILE A 155 23.886 -10.359 -12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.350 -10.644 -13.534 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.086 -9.061 -12.764 1.00 0.00 H new ATOM 0 HD11 ILE A 155 20.917 -8.338 -13.039 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.207 -9.838 -13.953 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.075 -9.543 -12.428 1.00 0.00 H new ATOM 245 N TYR A 156 25.536 -10.641 -16.925 1.00 0.00 N ATOM 246 CA TYR A 156 26.433 -11.658 -17.456 1.00 0.00 C ATOM 247 C TYR A 156 27.666 -11.007 -18.073 1.00 0.00 C ATOM 248 O TYR A 156 28.784 -11.393 -17.758 1.00 0.00 O ATOM 249 CB TYR A 156 25.698 -12.507 -18.501 1.00 0.00 C ATOM 250 CG TYR A 156 26.627 -13.413 -19.287 1.00 0.00 C ATOM 251 CD1 TYR A 156 26.986 -14.671 -18.773 1.00 0.00 C ATOM 252 CD2 TYR A 156 27.144 -12.988 -20.527 1.00 0.00 C ATOM 253 CE1 TYR A 156 27.861 -15.501 -19.495 1.00 0.00 C ATOM 254 CE2 TYR A 156 28.021 -13.819 -21.245 1.00 0.00 C ATOM 255 CZ TYR A 156 28.380 -15.075 -20.728 1.00 0.00 C ATOM 256 OH TYR A 156 29.236 -15.881 -21.424 1.00 0.00 O ATOM 0 H TYR A 156 24.615 -10.626 -17.363 1.00 0.00 H new ATOM 0 HA TYR A 156 26.757 -12.305 -16.640 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.943 -13.115 -18.002 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.172 -11.848 -19.192 1.00 0.00 H new ATOM 0 HD1 TYR A 156 26.590 -15.000 -17.824 1.00 0.00 H new ATOM 0 HD2 TYR A 156 26.866 -12.023 -20.926 1.00 0.00 H new ATOM 0 HE1 TYR A 156 28.135 -16.468 -19.100 1.00 0.00 H new ATOM 0 HE2 TYR A 156 28.419 -13.492 -22.194 1.00 0.00 H new ATOM 0 HH TYR A 156 29.135 -15.714 -22.384 1.00 0.00 H new ATOM 266 N GLN A 157 27.460 -10.026 -18.959 1.00 0.00 N ATOM 267 CA GLN A 157 28.562 -9.356 -19.637 1.00 0.00 C ATOM 268 C GLN A 157 29.526 -8.756 -18.613 1.00 0.00 C ATOM 269 O GLN A 157 30.739 -8.917 -18.733 1.00 0.00 O ATOM 270 CB GLN A 157 28.007 -8.264 -20.568 1.00 0.00 C ATOM 271 CG GLN A 157 28.410 -8.552 -22.019 1.00 0.00 C ATOM 272 CD GLN A 157 29.911 -8.364 -22.225 1.00 0.00 C ATOM 273 OE1 GLN A 157 30.376 -7.244 -22.423 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.669 -9.460 -22.180 1.00 0.00 N ATOM 0 H GLN A 157 26.536 -9.682 -19.220 1.00 0.00 H new ATOM 0 HA GLN A 157 29.112 -10.082 -20.236 1.00 0.00 H new ATOM 0 HB2 GLN A 157 26.921 -8.223 -20.486 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.387 -7.289 -20.264 1.00 0.00 H new ATOM 0 HG2 GLN A 157 28.130 -9.572 -22.281 1.00 0.00 H new ATOM 0 HG3 GLN A 157 27.863 -7.889 -22.689 1.00 0.00 H new ATOM 0 HE21 GLN A 157 30.240 -10.370 -22.013 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.678 -9.388 -22.313 1.00 0.00 H new ATOM 283 N ALA A 158 28.984 -8.062 -17.609 1.00 0.00 N ATOM 284 CA ALA A 158 29.795 -7.429 -16.582 1.00 0.00 C ATOM 285 C ALA A 158 30.515 -8.488 -15.739 1.00 0.00 C ATOM 286 O ALA A 158 31.702 -8.347 -15.449 1.00 0.00 O ATOM 287 CB ALA A 158 28.897 -6.555 -15.709 1.00 0.00 C ATOM 0 H ALA A 158 27.980 -7.927 -17.491 1.00 0.00 H new ATOM 0 HA ALA A 158 30.557 -6.805 -17.049 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.497 -6.076 -14.935 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.422 -5.791 -16.325 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.130 -7.173 -15.243 1.00 0.00 H new ATOM 293 N HIS A 159 29.794 -9.545 -15.348 1.00 0.00 N ATOM 294 CA HIS A 159 30.356 -10.619 -14.536 1.00 0.00 C ATOM 295 C HIS A 159 31.463 -11.344 -15.305 1.00 0.00 C ATOM 296 O HIS A 159 32.442 -11.783 -14.714 1.00 0.00 O ATOM 297 CB HIS A 159 29.236 -11.593 -14.146 1.00 0.00 C ATOM 298 CG HIS A 159 29.724 -12.735 -13.295 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.367 -13.848 -13.825 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.675 -12.967 -11.945 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.659 -14.657 -12.788 1.00 0.00 C ATOM 302 NE2 HIS A 159 30.263 -14.177 -11.611 1.00 0.00 N ATOM 0 H HIS A 159 28.811 -9.676 -15.586 1.00 0.00 H new ATOM 0 HA HIS A 159 30.796 -10.200 -13.631 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.460 -11.050 -13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.776 -11.991 -15.050 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.577 -14.019 -14.808 1.00 0.00 H new ATOM 0 HD2 HIS A 159 29.232 -12.290 -11.229 1.00 0.00 H new ATOM 0 HE1 HIS A 159 31.166 -15.604 -12.901 1.00 0.00 H new ATOM 310 N LYS A 160 31.302 -11.471 -16.621 1.00 0.00 N ATOM 311 CA LYS A 160 32.274 -12.152 -17.459 1.00 0.00 C ATOM 312 C LYS A 160 33.605 -11.395 -17.453 1.00 0.00 C ATOM 313 O LYS A 160 34.666 -12.011 -17.518 1.00 0.00 O ATOM 314 CB LYS A 160 31.710 -12.254 -18.882 1.00 0.00 C ATOM 315 CG LYS A 160 32.546 -13.221 -19.723 1.00 0.00 C ATOM 316 CD LYS A 160 32.027 -13.210 -21.166 1.00 0.00 C ATOM 317 CE LYS A 160 32.688 -14.331 -21.975 1.00 0.00 C ATOM 318 NZ LYS A 160 32.136 -15.649 -21.611 1.00 0.00 N ATOM 0 H LYS A 160 30.497 -11.105 -17.129 1.00 0.00 H new ATOM 0 HA LYS A 160 32.461 -13.154 -17.072 1.00 0.00 H new ATOM 0 HB2 LYS A 160 30.676 -12.596 -18.846 1.00 0.00 H new ATOM 0 HB3 LYS A 160 31.704 -11.269 -19.348 1.00 0.00 H new ATOM 0 HG2 LYS A 160 33.596 -12.929 -19.699 1.00 0.00 H new ATOM 0 HG3 LYS A 160 32.486 -14.228 -19.309 1.00 0.00 H new ATOM 0 HD2 LYS A 160 30.944 -13.337 -21.172 1.00 0.00 H new ATOM 0 HD3 LYS A 160 32.237 -12.246 -21.628 1.00 0.00 H new ATOM 0 HE2 LYS A 160 32.537 -14.152 -23.040 1.00 0.00 H new ATOM 0 HE3 LYS A 160 33.764 -14.324 -21.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 32.433 -16.356 -22.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.488 -15.926 -20.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 31.098 -15.597 -21.590 1.00 0.00 H new ATOM 332 N ARG A 161 33.542 -10.061 -17.384 1.00 0.00 N ATOM 333 CA ARG A 161 34.733 -9.227 -17.408 1.00 0.00 C ATOM 334 C ARG A 161 35.343 -9.101 -16.011 1.00 0.00 C ATOM 335 O ARG A 161 36.544 -9.296 -15.842 1.00 0.00 O ATOM 336 CB ARG A 161 34.362 -7.842 -17.948 1.00 0.00 C ATOM 337 CG ARG A 161 33.939 -7.948 -19.415 1.00 0.00 C ATOM 338 CD ARG A 161 33.415 -6.592 -19.894 1.00 0.00 C ATOM 339 NE ARG A 161 32.826 -6.697 -21.235 1.00 0.00 N ATOM 340 CZ ARG A 161 33.551 -6.714 -22.367 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.889 -6.653 -22.320 1.00 0.00 N ATOM 342 NH2 ARG A 161 32.927 -6.794 -23.548 1.00 0.00 N ATOM 0 H ARG A 161 32.669 -9.539 -17.311 1.00 0.00 H new ATOM 0 HA ARG A 161 35.477 -9.690 -18.056 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.551 -7.418 -17.357 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.212 -7.166 -17.854 1.00 0.00 H new ATOM 0 HG2 ARG A 161 34.785 -8.260 -20.027 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.167 -8.709 -19.528 1.00 0.00 H new ATOM 0 HD2 ARG A 161 32.668 -6.219 -19.193 1.00 0.00 H new ATOM 0 HD3 ARG A 161 34.229 -5.868 -19.907 1.00 0.00 H new ATOM 0 HE ARG A 161 31.811 -6.761 -21.312 1.00 0.00 H new ATOM 0 HH11 ARG A 161 35.365 -6.593 -21.420 1.00 0.00 H new ATOM 0 HH12 ARG A 161 35.431 -6.667 -23.184 1.00 0.00 H new ATOM 0 HH21 ARG A 161 31.909 -6.842 -23.585 1.00 0.00 H new ATOM 0 HH22 ARG A 161 33.470 -6.807 -24.412 1.00 0.00 H new ATOM 356 N LEU A 162 34.517 -8.753 -15.016 1.00 0.00 N ATOM 357 CA LEU A 162 34.994 -8.517 -13.657 1.00 0.00 C ATOM 358 C LEU A 162 34.958 -9.799 -12.824 1.00 0.00 C ATOM 359 O LEU A 162 35.988 -10.215 -12.295 1.00 0.00 O ATOM 360 CB LEU A 162 34.128 -7.430 -13.005 1.00 0.00 C ATOM 361 CG LEU A 162 34.392 -6.070 -13.672 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.212 -5.135 -13.406 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.671 -5.447 -13.101 1.00 0.00 C ATOM 0 H LEU A 162 33.511 -8.629 -15.133 1.00 0.00 H new ATOM 0 HA LEU A 162 36.032 -8.186 -13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.074 -7.690 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.349 -7.370 -11.939 1.00 0.00 H new ATOM 0 HG LEU A 162 34.512 -6.216 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.398 -4.171 -13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.302 -5.571 -13.818 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.093 -4.996 -12.331 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.851 -4.484 -13.579 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.558 -5.304 -12.026 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.515 -6.110 -13.291 1.00 0.00 H new ATOM 375 N GLY A 163 33.775 -10.409 -12.693 1.00 0.00 N ATOM 376 CA GLY A 163 33.592 -11.606 -11.877 1.00 0.00 C ATOM 377 C GLY A 163 32.447 -11.374 -10.896 1.00 0.00 C ATOM 378 O GLY A 163 31.488 -10.681 -11.222 1.00 0.00 O ATOM 0 H GLY A 163 32.922 -10.085 -13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.374 -12.464 -12.513 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.510 -11.835 -11.336 1.00 0.00 H new ATOM 382 N ASN A 164 32.550 -11.942 -9.685 1.00 0.00 N ATOM 383 CA ASN A 164 31.519 -11.770 -8.661 1.00 0.00 C ATOM 384 C ASN A 164 31.753 -10.466 -7.891 1.00 0.00 C ATOM 385 O ASN A 164 31.378 -10.359 -6.725 1.00 0.00 O ATOM 386 CB ASN A 164 31.533 -12.964 -7.698 1.00 0.00 C ATOM 387 CG ASN A 164 31.339 -14.284 -8.440 1.00 0.00 C ATOM 388 OD1 ASN A 164 30.212 -14.737 -8.616 1.00 0.00 O ATOM 389 ND2 ASN A 164 32.440 -14.904 -8.870 1.00 0.00 N ATOM 0 H ASN A 164 33.337 -12.523 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 164 30.544 -11.719 -9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.479 -12.985 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.744 -12.843 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 164 32.364 -15.791 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 164 33.357 -14.490 -8.701 1.00 0.00 H new ATOM 396 N ARG A 165 32.370 -9.472 -8.543 1.00 0.00 N ATOM 397 CA ARG A 165 32.639 -8.187 -7.921 1.00 0.00 C ATOM 398 C ARG A 165 31.419 -7.289 -8.095 1.00 0.00 C ATOM 399 O ARG A 165 31.487 -6.249 -8.756 1.00 0.00 O ATOM 400 CB ARG A 165 33.890 -7.569 -8.557 1.00 0.00 C ATOM 401 CG ARG A 165 35.140 -8.242 -7.982 1.00 0.00 C ATOM 402 CD ARG A 165 36.355 -7.923 -8.861 1.00 0.00 C ATOM 403 NE ARG A 165 36.659 -9.040 -9.769 1.00 0.00 N ATOM 404 CZ ARG A 165 37.328 -10.146 -9.386 1.00 0.00 C ATOM 405 NH1 ARG A 165 37.742 -10.285 -8.118 1.00 0.00 N ATOM 406 NH2 ARG A 165 37.577 -11.110 -10.278 1.00 0.00 N ATOM 0 H ARG A 165 32.691 -9.543 -9.509 1.00 0.00 H new ATOM 0 HA ARG A 165 32.828 -8.307 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.861 -7.695 -9.639 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.919 -6.497 -8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.315 -7.894 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.991 -9.321 -7.929 1.00 0.00 H new ATOM 0 HD2 ARG A 165 36.161 -7.021 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 165 37.220 -7.717 -8.231 1.00 0.00 H new ATOM 0 HE ARG A 165 36.348 -8.974 -10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 165 37.551 -9.551 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 165 38.248 -11.125 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 165 37.261 -11.006 -11.242 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.083 -11.949 -9.994 1.00 0.00 H new ATOM 420 N TRP A 166 30.294 -7.700 -7.496 1.00 0.00 N ATOM 421 CA TRP A 166 29.051 -6.949 -7.588 1.00 0.00 C ATOM 422 C TRP A 166 29.241 -5.555 -7.007 1.00 0.00 C ATOM 423 O TRP A 166 28.531 -4.642 -7.377 1.00 0.00 O ATOM 424 CB TRP A 166 27.926 -7.679 -6.857 1.00 0.00 C ATOM 425 CG TRP A 166 28.034 -9.165 -6.858 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.506 -9.887 -5.844 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.682 -10.130 -7.895 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.484 -11.228 -6.135 1.00 0.00 N ATOM 429 CE2 TRP A 166 27.976 -11.442 -7.403 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.146 -10.043 -9.201 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.749 -12.594 -8.157 1.00 0.00 C ATOM 432 CZ3 TRP A 166 26.913 -11.207 -9.966 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.218 -12.477 -9.444 1.00 0.00 C ATOM 0 H TRP A 166 30.227 -8.554 -6.942 1.00 0.00 H new ATOM 0 HA TRP A 166 28.775 -6.860 -8.639 1.00 0.00 H new ATOM 0 HB2 TRP A 166 27.900 -7.332 -5.824 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.976 -7.399 -7.312 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.861 -9.471 -4.912 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.799 -11.965 -5.503 1.00 0.00 H new ATOM 0 HE3 TRP A 166 26.912 -9.075 -9.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 27.982 -13.567 -7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.498 -11.121 -10.959 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.042 -13.362 -10.038 1.00 0.00 H new ATOM 444 N ALA A 167 30.205 -5.389 -6.098 1.00 0.00 N ATOM 445 CA ALA A 167 30.476 -4.091 -5.505 1.00 0.00 C ATOM 446 C ALA A 167 30.731 -3.056 -6.600 1.00 0.00 C ATOM 447 O ALA A 167 30.403 -1.886 -6.423 1.00 0.00 O ATOM 448 CB ALA A 167 31.685 -4.202 -4.574 1.00 0.00 C ATOM 0 H ALA A 167 30.807 -6.141 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 167 29.611 -3.767 -4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.891 -3.229 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.473 -4.925 -3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.554 -4.531 -5.144 1.00 0.00 H new ATOM 454 N GLU A 168 31.313 -3.488 -7.731 1.00 0.00 N ATOM 455 CA GLU A 168 31.611 -2.595 -8.842 1.00 0.00 C ATOM 456 C GLU A 168 30.524 -2.696 -9.913 1.00 0.00 C ATOM 457 O GLU A 168 30.062 -1.678 -10.416 1.00 0.00 O ATOM 458 CB GLU A 168 32.987 -2.947 -9.423 1.00 0.00 C ATOM 459 CG GLU A 168 34.040 -3.000 -8.304 1.00 0.00 C ATOM 460 CD GLU A 168 33.933 -1.789 -7.381 1.00 0.00 C ATOM 461 OE1 GLU A 168 33.964 -0.656 -7.914 1.00 0.00 O ATOM 462 OE2 GLU A 168 33.813 -2.013 -6.158 1.00 0.00 O ATOM 0 H GLU A 168 31.584 -4.458 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 168 31.632 -1.566 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 168 32.939 -3.909 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 168 33.275 -2.206 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.911 -3.914 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 168 35.037 -3.038 -8.742 1.00 0.00 H new ATOM 469 N ILE A 169 30.113 -3.922 -10.262 1.00 0.00 N ATOM 470 CA ILE A 169 29.082 -4.129 -11.280 1.00 0.00 C ATOM 471 C ILE A 169 27.798 -3.396 -10.873 1.00 0.00 C ATOM 472 O ILE A 169 27.119 -2.808 -11.714 1.00 0.00 O ATOM 473 CB ILE A 169 28.812 -5.635 -11.446 1.00 0.00 C ATOM 474 CG1 ILE A 169 30.091 -6.357 -11.900 1.00 0.00 C ATOM 475 CG2 ILE A 169 27.708 -5.845 -12.489 1.00 0.00 C ATOM 476 CD1 ILE A 169 30.033 -7.830 -11.491 1.00 0.00 C ATOM 0 H ILE A 169 30.479 -4.782 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 169 29.426 -3.728 -12.233 1.00 0.00 H new ATOM 0 HB ILE A 169 28.495 -6.046 -10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 169 30.200 -6.275 -12.981 1.00 0.00 H new ATOM 0 HG13 ILE A 169 30.965 -5.881 -11.454 1.00 0.00 H new ATOM 0 HG21 ILE A 169 27.517 -6.912 -12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 169 26.796 -5.347 -12.159 1.00 0.00 H new ATOM 0 HG23 ILE A 169 28.025 -5.426 -13.444 1.00 0.00 H new ATOM 0 HD11 ILE A 169 30.943 -8.334 -11.817 1.00 0.00 H new ATOM 0 HD12 ILE A 169 29.945 -7.903 -10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 169 29.169 -8.303 -11.958 1.00 0.00 H new ATOM 488 N ALA A 170 27.476 -3.438 -9.577 1.00 0.00 N ATOM 489 CA ALA A 170 26.286 -2.802 -9.040 1.00 0.00 C ATOM 490 C ALA A 170 26.306 -1.297 -9.327 1.00 0.00 C ATOM 491 O ALA A 170 25.259 -0.714 -9.590 1.00 0.00 O ATOM 492 CB ALA A 170 26.200 -3.079 -7.533 1.00 0.00 C ATOM 0 H ALA A 170 28.040 -3.917 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 170 25.402 -3.216 -9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 170 25.308 -2.603 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 170 26.147 -4.154 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 170 27.084 -2.676 -7.038 1.00 0.00 H new ATOM 498 N LYS A 171 27.495 -0.666 -9.285 1.00 0.00 N ATOM 499 CA LYS A 171 27.613 0.765 -9.570 1.00 0.00 C ATOM 500 C LYS A 171 27.168 1.051 -11.007 1.00 0.00 C ATOM 501 O LYS A 171 26.529 2.069 -11.267 1.00 0.00 O ATOM 502 CB LYS A 171 29.060 1.239 -9.379 1.00 0.00 C ATOM 503 CG LYS A 171 29.509 1.050 -7.929 1.00 0.00 C ATOM 504 CD LYS A 171 30.823 1.814 -7.711 1.00 0.00 C ATOM 505 CE LYS A 171 31.351 1.577 -6.292 1.00 0.00 C ATOM 506 NZ LYS A 171 32.053 0.286 -6.191 1.00 0.00 N ATOM 0 H LYS A 171 28.377 -1.125 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 171 26.971 1.306 -8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.720 0.682 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 171 29.142 2.290 -9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.742 1.416 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 171 29.649 -0.009 -7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 171 31.565 1.489 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.662 2.880 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 171 32.028 2.384 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.522 1.599 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.738 0.324 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 31.363 -0.471 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.554 0.093 -7.082 1.00 0.00 H new ATOM 520 N LEU A 172 27.517 0.154 -11.940 1.00 0.00 N ATOM 521 CA LEU A 172 27.176 0.325 -13.348 1.00 0.00 C ATOM 522 C LEU A 172 25.670 0.160 -13.551 1.00 0.00 C ATOM 523 O LEU A 172 25.085 0.818 -14.409 1.00 0.00 O ATOM 524 CB LEU A 172 27.944 -0.699 -14.198 1.00 0.00 C ATOM 525 CG LEU A 172 29.455 -0.627 -13.915 1.00 0.00 C ATOM 526 CD1 LEU A 172 30.182 -1.637 -14.805 1.00 0.00 C ATOM 527 CD2 LEU A 172 29.984 0.781 -14.209 1.00 0.00 C ATOM 0 H LEU A 172 28.038 -0.699 -11.737 1.00 0.00 H new ATOM 0 HA LEU A 172 27.459 1.329 -13.663 1.00 0.00 H new ATOM 0 HB2 LEU A 172 27.578 -1.703 -13.984 1.00 0.00 H new ATOM 0 HB3 LEU A 172 27.759 -0.511 -15.256 1.00 0.00 H new ATOM 0 HG LEU A 172 29.632 -0.859 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 172 31.253 -1.590 -14.609 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.817 -2.641 -14.589 1.00 0.00 H new ATOM 0 HD13 LEU A 172 29.995 -1.400 -15.852 1.00 0.00 H new ATOM 0 HD21 LEU A 172 31.054 0.818 -14.005 1.00 0.00 H new ATOM 0 HD22 LEU A 172 29.806 1.025 -15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 172 29.469 1.503 -13.576 1.00 0.00 H new ATOM 539 N LEU A 173 25.044 -0.720 -12.762 1.00 0.00 N ATOM 540 CA LEU A 173 23.618 -0.970 -12.860 1.00 0.00 C ATOM 541 C LEU A 173 22.859 0.142 -12.128 1.00 0.00 C ATOM 542 O LEU A 173 23.455 0.855 -11.321 1.00 0.00 O ATOM 543 CB LEU A 173 23.324 -2.345 -12.237 1.00 0.00 C ATOM 544 CG LEU A 173 23.748 -3.461 -13.204 1.00 0.00 C ATOM 545 CD1 LEU A 173 23.952 -4.759 -12.423 1.00 0.00 C ATOM 546 CD2 LEU A 173 22.664 -3.676 -14.267 1.00 0.00 C ATOM 0 H LEU A 173 25.516 -1.271 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 173 23.294 -0.974 -13.901 1.00 0.00 H new ATOM 0 HB2 LEU A 173 23.859 -2.448 -11.293 1.00 0.00 H new ATOM 0 HB3 LEU A 173 22.261 -2.432 -12.012 1.00 0.00 H new ATOM 0 HG LEU A 173 24.678 -3.173 -13.694 1.00 0.00 H new ATOM 0 HD11 LEU A 173 24.253 -5.552 -13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 173 24.729 -4.614 -11.672 1.00 0.00 H new ATOM 0 HD13 LEU A 173 23.020 -5.038 -11.932 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.974 -4.469 -14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 173 21.730 -3.959 -13.782 1.00 0.00 H new ATOM 0 HD23 LEU A 173 22.517 -2.753 -14.828 1.00 0.00 H new ATOM 558 N PRO A 174 21.540 0.299 -12.399 1.00 0.00 N ATOM 559 CA PRO A 174 20.718 1.289 -11.724 1.00 0.00 C ATOM 560 C PRO A 174 20.655 0.997 -10.215 1.00 0.00 C ATOM 561 O PRO A 174 21.483 0.259 -9.688 1.00 0.00 O ATOM 562 CB PRO A 174 19.331 1.197 -12.380 1.00 0.00 C ATOM 563 CG PRO A 174 19.422 0.129 -13.476 1.00 0.00 C ATOM 564 CD PRO A 174 20.816 -0.487 -13.382 1.00 0.00 C ATOM 0 HA PRO A 174 21.126 2.295 -11.821 1.00 0.00 H new ATOM 0 HB2 PRO A 174 18.573 0.930 -11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 174 19.040 2.159 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 174 18.654 -0.632 -13.338 1.00 0.00 H new ATOM 0 HG3 PRO A 174 19.261 0.570 -14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 174 20.760 -1.533 -13.080 1.00 0.00 H new ATOM 0 HD3 PRO A 174 21.319 -0.461 -14.349 1.00 0.00 H new ATOM 572 N GLY A 175 19.669 1.580 -9.520 1.00 0.00 N ATOM 573 CA GLY A 175 19.506 1.378 -8.086 1.00 0.00 C ATOM 574 C GLY A 175 18.997 -0.037 -7.795 1.00 0.00 C ATOM 575 O GLY A 175 17.869 -0.207 -7.336 1.00 0.00 O ATOM 0 H GLY A 175 18.972 2.197 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 175 20.458 1.539 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 175 18.805 2.112 -7.687 1.00 0.00 H new ATOM 579 N ARG A 176 19.837 -1.046 -8.064 1.00 0.00 N ATOM 580 CA ARG A 176 19.495 -2.441 -7.833 1.00 0.00 C ATOM 581 C ARG A 176 20.190 -2.947 -6.570 1.00 0.00 C ATOM 582 O ARG A 176 19.656 -3.806 -5.887 1.00 0.00 O ATOM 583 CB ARG A 176 19.929 -3.269 -9.048 1.00 0.00 C ATOM 584 CG ARG A 176 18.936 -3.076 -10.203 1.00 0.00 C ATOM 585 CD ARG A 176 17.605 -3.759 -9.864 1.00 0.00 C ATOM 586 NE ARG A 176 16.936 -4.252 -11.075 1.00 0.00 N ATOM 587 CZ ARG A 176 15.800 -4.969 -11.041 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.230 -5.273 -9.866 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.238 -5.380 -12.180 1.00 0.00 N ATOM 0 H ARG A 176 20.772 -0.909 -8.448 1.00 0.00 H new ATOM 0 HA ARG A 176 18.418 -2.538 -7.695 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.928 -2.969 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 176 19.983 -4.324 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.774 -2.013 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.347 -3.495 -11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 176 17.783 -4.589 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 176 16.953 -3.055 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 176 17.352 -4.041 -11.982 1.00 0.00 H new ATOM 0 HH11 ARG A 176 15.659 -4.960 -8.995 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.368 -5.817 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.671 -5.150 -13.074 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.376 -5.924 -12.156 1.00 0.00 H new ATOM 603 N THR A 177 21.384 -2.397 -6.281 1.00 0.00 N ATOM 604 CA THR A 177 22.213 -2.764 -5.122 1.00 0.00 C ATOM 605 C THR A 177 22.830 -4.153 -5.321 1.00 0.00 C ATOM 606 O THR A 177 22.244 -5.023 -5.971 1.00 0.00 O ATOM 607 CB THR A 177 21.438 -2.680 -3.782 1.00 0.00 C ATOM 608 OG1 THR A 177 20.724 -3.876 -3.539 1.00 0.00 O ATOM 609 CG2 THR A 177 20.474 -1.486 -3.786 1.00 0.00 C ATOM 0 H THR A 177 21.806 -1.671 -6.859 1.00 0.00 H new ATOM 0 HA THR A 177 23.017 -2.031 -5.057 1.00 0.00 H new ATOM 0 HB THR A 177 22.166 -2.540 -2.983 1.00 0.00 H new ATOM 0 HG1 THR A 177 20.385 -4.232 -4.387 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.940 -1.446 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.038 -0.564 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.758 -1.599 -4.600 1.00 0.00 H new ATOM 617 N ASP A 178 24.027 -4.347 -4.754 1.00 0.00 N ATOM 618 CA ASP A 178 24.754 -5.602 -4.858 1.00 0.00 C ATOM 619 C ASP A 178 23.953 -6.739 -4.229 1.00 0.00 C ATOM 620 O ASP A 178 24.059 -7.879 -4.665 1.00 0.00 O ATOM 621 CB ASP A 178 26.111 -5.453 -4.164 1.00 0.00 C ATOM 622 CG ASP A 178 25.939 -5.144 -2.681 1.00 0.00 C ATOM 623 OD1 ASP A 178 25.573 -3.986 -2.382 1.00 0.00 O ATOM 624 OD2 ASP A 178 26.175 -6.072 -1.877 1.00 0.00 O ATOM 0 H ASP A 178 24.513 -3.633 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 178 24.910 -5.844 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 178 26.686 -6.371 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.681 -4.656 -4.641 1.00 0.00 H new ATOM 629 N ASN A 179 23.155 -6.428 -3.203 1.00 0.00 N ATOM 630 CA ASN A 179 22.355 -7.429 -2.517 1.00 0.00 C ATOM 631 C ASN A 179 21.402 -8.107 -3.499 1.00 0.00 C ATOM 632 O ASN A 179 21.366 -9.335 -3.582 1.00 0.00 O ATOM 633 CB ASN A 179 21.572 -6.763 -1.380 1.00 0.00 C ATOM 634 CG ASN A 179 22.507 -6.040 -0.418 1.00 0.00 C ATOM 635 OD1 ASN A 179 22.548 -4.814 -0.395 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.259 -6.801 0.378 1.00 0.00 N ATOM 0 H ASN A 179 23.050 -5.483 -2.833 1.00 0.00 H new ATOM 0 HA ASN A 179 23.011 -8.192 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 179 20.854 -6.055 -1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.000 -7.516 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.901 -6.367 1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 179 23.192 -7.817 0.324 1.00 0.00 H new ATOM 643 N ALA A 180 20.628 -7.305 -4.241 1.00 0.00 N ATOM 644 CA ALA A 180 19.658 -7.829 -5.192 1.00 0.00 C ATOM 645 C ALA A 180 20.358 -8.599 -6.308 1.00 0.00 C ATOM 646 O ALA A 180 19.934 -9.696 -6.659 1.00 0.00 O ATOM 647 CB ALA A 180 18.849 -6.673 -5.778 1.00 0.00 C ATOM 0 H ALA A 180 20.660 -6.287 -4.195 1.00 0.00 H new ATOM 0 HA ALA A 180 18.989 -8.516 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.122 -7.062 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.327 -6.151 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.520 -5.980 -6.286 1.00 0.00 H new ATOM 653 N ILE A 181 21.424 -8.017 -6.870 1.00 0.00 N ATOM 654 CA ILE A 181 22.156 -8.634 -7.969 1.00 0.00 C ATOM 655 C ILE A 181 22.733 -9.982 -7.530 1.00 0.00 C ATOM 656 O ILE A 181 22.493 -11.000 -8.176 1.00 0.00 O ATOM 657 CB ILE A 181 23.275 -7.688 -8.434 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.664 -6.399 -9.005 1.00 0.00 C ATOM 659 CG2 ILE A 181 24.110 -8.376 -9.521 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.693 -5.270 -8.965 1.00 0.00 C ATOM 0 H ILE A 181 21.796 -7.114 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 181 21.476 -8.812 -8.802 1.00 0.00 H new ATOM 0 HB ILE A 181 23.910 -7.442 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.335 -6.566 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.782 -6.119 -8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.903 -7.705 -9.850 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.551 -9.288 -9.119 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.471 -8.625 -10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.251 -4.360 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 181 24.001 -5.094 -7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.562 -5.549 -9.561 1.00 0.00 H new ATOM 672 N LYS A 182 23.499 -9.978 -6.435 1.00 0.00 N ATOM 673 CA LYS A 182 24.136 -11.181 -5.924 1.00 0.00 C ATOM 674 C LYS A 182 23.089 -12.250 -5.618 1.00 0.00 C ATOM 675 O LYS A 182 23.236 -13.390 -6.041 1.00 0.00 O ATOM 676 CB LYS A 182 24.936 -10.825 -4.666 1.00 0.00 C ATOM 677 CG LYS A 182 25.690 -12.057 -4.159 1.00 0.00 C ATOM 678 CD LYS A 182 26.592 -11.656 -2.989 1.00 0.00 C ATOM 679 CE LYS A 182 27.372 -12.878 -2.497 1.00 0.00 C ATOM 680 NZ LYS A 182 28.257 -12.522 -1.373 1.00 0.00 N ATOM 0 H LYS A 182 23.690 -9.141 -5.884 1.00 0.00 H new ATOM 0 HA LYS A 182 24.813 -11.585 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.640 -10.023 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.265 -10.455 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 182 24.984 -12.824 -3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.288 -12.487 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.283 -10.873 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.991 -11.245 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.676 -13.656 -2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.964 -13.289 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.775 -13.367 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.935 -11.796 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.687 -12.152 -0.586 1.00 0.00 H new ATOM 694 N ASN A 183 22.037 -11.880 -4.880 1.00 0.00 N ATOM 695 CA ASN A 183 20.983 -12.817 -4.509 1.00 0.00 C ATOM 696 C ASN A 183 20.333 -13.411 -5.760 1.00 0.00 C ATOM 697 O ASN A 183 20.179 -14.627 -5.862 1.00 0.00 O ATOM 698 CB ASN A 183 19.942 -12.089 -3.655 1.00 0.00 C ATOM 699 CG ASN A 183 18.785 -13.016 -3.300 1.00 0.00 C ATOM 700 OD1 ASN A 183 18.836 -13.719 -2.295 1.00 0.00 O ATOM 701 ND2 ASN A 183 17.739 -13.017 -4.127 1.00 0.00 N ATOM 0 H ASN A 183 21.897 -10.933 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 183 21.412 -13.636 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 183 20.409 -11.718 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.565 -11.221 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 183 16.938 -13.619 -3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 183 17.740 -12.416 -4.951 1.00 0.00 H new ATOM 708 N HIS A 184 19.948 -12.547 -6.704 1.00 0.00 N ATOM 709 CA HIS A 184 19.296 -12.973 -7.933 1.00 0.00 C ATOM 710 C HIS A 184 20.177 -13.961 -8.693 1.00 0.00 C ATOM 711 O HIS A 184 19.717 -15.043 -9.064 1.00 0.00 O ATOM 712 CB HIS A 184 18.999 -11.742 -8.790 1.00 0.00 C ATOM 713 CG HIS A 184 18.529 -12.091 -10.177 1.00 0.00 C ATOM 714 ND1 HIS A 184 17.582 -13.079 -10.428 1.00 0.00 N ATOM 715 CD2 HIS A 184 18.861 -11.599 -11.413 1.00 0.00 C ATOM 716 CE1 HIS A 184 17.408 -13.115 -11.764 1.00 0.00 C ATOM 717 NE2 HIS A 184 18.159 -12.235 -12.422 1.00 0.00 N ATOM 0 H HIS A 184 20.081 -11.538 -6.633 1.00 0.00 H new ATOM 0 HA HIS A 184 18.361 -13.480 -7.693 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.239 -11.137 -8.296 1.00 0.00 H new ATOM 0 HB3 HIS A 184 19.898 -11.129 -8.860 1.00 0.00 H new ATOM 0 HD2 HIS A 184 19.582 -10.812 -11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 184 16.725 -13.793 -12.254 1.00 0.00 H new ATOM 0 HE2 HIS A 184 18.206 -12.069 -13.427 1.00 0.00 H new ATOM 725 N TRP A 185 21.440 -13.591 -8.931 1.00 0.00 N ATOM 726 CA TRP A 185 22.357 -14.447 -9.659 1.00 0.00 C ATOM 727 C TRP A 185 22.547 -15.763 -8.910 1.00 0.00 C ATOM 728 O TRP A 185 22.539 -16.827 -9.524 1.00 0.00 O ATOM 729 CB TRP A 185 23.696 -13.734 -9.850 1.00 0.00 C ATOM 730 CG TRP A 185 24.694 -14.502 -10.665 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.382 -15.576 -10.247 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.133 -14.278 -12.038 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.214 -16.045 -11.232 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.108 -15.272 -12.370 1.00 0.00 C ATOM 735 CE3 TRP A 185 24.812 -13.341 -13.044 1.00 0.00 C ATOM 736 CZ2 TRP A 185 26.732 -15.325 -13.618 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.440 -13.389 -14.306 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.400 -14.378 -14.590 1.00 0.00 C ATOM 0 H TRP A 185 21.841 -12.704 -8.627 1.00 0.00 H new ATOM 0 HA TRP A 185 21.940 -14.667 -10.642 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.517 -12.772 -10.329 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.127 -13.527 -8.870 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.292 -16.014 -9.264 1.00 0.00 H new ATOM 0 HE1 TRP A 185 26.827 -16.854 -11.136 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.075 -12.577 -12.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.464 -16.090 -13.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.182 -12.661 -15.061 1.00 0.00 H new ATOM 0 HH2 TRP A 185 26.879 -14.405 -15.558 1.00 0.00 H new ATOM 749 N ASN A 186 22.716 -15.690 -7.581 1.00 0.00 N ATOM 750 CA ASN A 186 22.916 -16.875 -6.751 1.00 0.00 C ATOM 751 C ASN A 186 21.574 -17.563 -6.491 1.00 0.00 C ATOM 752 O ASN A 186 21.252 -17.888 -5.350 1.00 0.00 O ATOM 753 CB ASN A 186 23.577 -16.470 -5.424 1.00 0.00 C ATOM 754 CG ASN A 186 24.975 -15.893 -5.638 1.00 0.00 C ATOM 755 OD1 ASN A 186 25.482 -15.863 -6.756 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.602 -15.435 -4.554 1.00 0.00 N ATOM 0 H ASN A 186 22.717 -14.813 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 186 23.569 -17.575 -7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 186 22.954 -15.733 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 186 23.639 -17.339 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.539 -15.041 -4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.144 -15.479 -3.643 1.00 0.00 H new ATOM 763 N SER A 187 20.797 -17.786 -7.554 1.00 0.00 N ATOM 764 CA SER A 187 19.501 -18.427 -7.454 1.00 0.00 C ATOM 765 C SER A 187 19.007 -18.772 -8.855 1.00 0.00 C ATOM 766 O SER A 187 18.796 -19.941 -9.170 1.00 0.00 O ATOM 767 CB SER A 187 18.515 -17.488 -6.741 1.00 0.00 C ATOM 768 OG SER A 187 17.234 -18.084 -6.697 1.00 0.00 O ATOM 0 H SER A 187 21.057 -17.524 -8.505 1.00 0.00 H new ATOM 0 HA SER A 187 19.580 -19.345 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 187 18.864 -17.279 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.464 -16.533 -7.264 1.00 0.00 H new ATOM 0 HG SER A 187 16.609 -17.483 -6.240 1.00 0.00 H new ATOM 774 N THR A 188 18.824 -17.744 -9.692 1.00 0.00 N ATOM 775 CA THR A 188 18.330 -17.924 -11.047 1.00 0.00 C ATOM 776 C THR A 188 19.475 -18.294 -11.992 1.00 0.00 C ATOM 777 O THR A 188 19.351 -19.237 -12.771 1.00 0.00 O ATOM 778 CB THR A 188 17.648 -16.629 -11.506 1.00 0.00 C ATOM 779 OG1 THR A 188 16.720 -16.212 -10.524 1.00 0.00 O ATOM 780 CG2 THR A 188 16.916 -16.869 -12.829 1.00 0.00 C ATOM 0 H THR A 188 19.015 -16.773 -9.444 1.00 0.00 H new ATOM 0 HA THR A 188 17.607 -18.740 -11.064 1.00 0.00 H new ATOM 0 HB THR A 188 18.403 -15.856 -11.648 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.886 -15.274 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.433 -15.946 -13.150 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.631 -17.188 -13.588 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.162 -17.644 -12.692 1.00 0.00 H new ATOM 788 N MET A 189 20.584 -17.542 -11.932 1.00 0.00 N ATOM 789 CA MET A 189 21.718 -17.773 -12.818 1.00 0.00 C ATOM 790 C MET A 189 22.632 -18.854 -12.230 1.00 0.00 C ATOM 791 O MET A 189 22.294 -20.032 -12.293 1.00 0.00 O ATOM 792 CB MET A 189 22.470 -16.454 -13.040 1.00 0.00 C ATOM 793 CG MET A 189 21.598 -15.487 -13.851 1.00 0.00 C ATOM 794 SD MET A 189 21.609 -15.805 -15.635 1.00 0.00 S ATOM 795 CE MET A 189 23.165 -14.983 -16.053 1.00 0.00 C ATOM 0 H MET A 189 20.713 -16.771 -11.277 1.00 0.00 H new ATOM 0 HA MET A 189 21.366 -18.130 -13.786 1.00 0.00 H new ATOM 0 HB2 MET A 189 22.729 -16.007 -12.080 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.406 -16.643 -13.566 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.572 -15.547 -13.488 1.00 0.00 H new ATOM 0 HG3 MET A 189 21.940 -14.468 -13.672 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.330 -15.041 -17.129 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.117 -13.937 -15.750 1.00 0.00 H new ATOM 0 HE3 MET A 189 23.987 -15.474 -15.533 1.00 0.00 H new ATOM 805 N ARG A 190 23.792 -18.439 -11.668 1.00 0.00 N ATOM 806 CA ARG A 190 24.796 -19.346 -11.084 1.00 0.00 C ATOM 807 C ARG A 190 24.933 -20.638 -11.905 1.00 0.00 C ATOM 808 O ARG A 190 25.083 -21.724 -11.344 1.00 0.00 O ATOM 809 CB ARG A 190 24.463 -19.637 -9.606 1.00 0.00 C ATOM 810 CG ARG A 190 23.020 -20.125 -9.453 1.00 0.00 C ATOM 811 CD ARG A 190 22.786 -20.602 -8.017 1.00 0.00 C ATOM 812 NE ARG A 190 23.251 -21.984 -7.837 1.00 0.00 N ATOM 813 CZ ARG A 190 22.538 -23.058 -8.225 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.356 -22.901 -8.841 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.011 -24.290 -7.993 1.00 0.00 N ATOM 0 H ARG A 190 24.055 -17.455 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 190 25.766 -18.849 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 190 25.148 -20.390 -9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.610 -18.735 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 190 22.326 -19.321 -9.697 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.825 -20.938 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 190 23.310 -19.945 -7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 190 21.725 -20.538 -7.777 1.00 0.00 H new ATOM 0 HE ARG A 190 24.158 -22.137 -7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 190 20.993 -21.964 -9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.820 -23.719 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 190 23.908 -24.412 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 190 22.474 -25.106 -8.286 1.00 0.00 H new