USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 159 HIS : no HE2:sc= -0.305 K(o=0.08,f=-3.1) USER MOD Set 1.2: A 164 ASN : amide:sc= 0.385 X(o=0.08,f=0.54) USER MOD Single : A 148 THR OG1 : rot -82:sc= 1.17 USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 GLN : amide:sc= -0.863 K(o=-0.86,f=-3.6) USER MOD Single : A 160 LYS NZ :NH3+ 169:sc= -0.0275 (180deg=-0.24) USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 ASN : amide:sc=-0.000667 K(o=-0.00067,f=-0.9) USER MOD Single : A 182 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -0.0486 K(o=-0.049,f=-1.3) USER MOD Single : A 184 HIS : no HD1:sc= -0.597 K(o=-0.6,f=-1.1) USER MOD Single : A 186 ASN : amide:sc= 0.946 K(o=0.95,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 189 MET CE :methyl 170:sc= -0.454 (180deg=-0.572) USER MOD ----------------------------------------------------------------- ATOM 88 N TRP A 147 14.092 -11.707 -13.399 1.00 0.00 N ATOM 89 CA TRP A 147 14.733 -10.493 -13.876 1.00 0.00 C ATOM 90 C TRP A 147 14.397 -10.285 -15.355 1.00 0.00 C ATOM 91 O TRP A 147 13.817 -11.166 -15.990 1.00 0.00 O ATOM 92 CB TRP A 147 16.246 -10.626 -13.686 1.00 0.00 C ATOM 93 CG TRP A 147 16.766 -10.169 -12.359 1.00 0.00 C ATOM 94 CD1 TRP A 147 16.442 -10.681 -11.160 1.00 0.00 C ATOM 95 CD2 TRP A 147 17.721 -9.107 -12.078 1.00 0.00 C ATOM 96 NE1 TRP A 147 17.123 -10.036 -10.151 1.00 0.00 N ATOM 97 CE2 TRP A 147 17.932 -9.044 -10.665 1.00 0.00 C ATOM 98 CE3 TRP A 147 18.437 -8.189 -12.871 1.00 0.00 C ATOM 99 CZ2 TRP A 147 18.804 -8.125 -10.079 1.00 0.00 C ATOM 100 CZ3 TRP A 147 19.313 -7.256 -12.285 1.00 0.00 C ATOM 101 CH2 TRP A 147 19.497 -7.226 -10.895 1.00 0.00 C ATOM 0 HA TRP A 147 14.374 -9.631 -13.313 1.00 0.00 H new ATOM 0 HB2 TRP A 147 16.523 -11.671 -13.826 1.00 0.00 H new ATOM 0 HB3 TRP A 147 16.746 -10.056 -14.469 1.00 0.00 H new ATOM 0 HD1 TRP A 147 15.742 -11.489 -11.008 1.00 0.00 H new ATOM 0 HE1 TRP A 147 17.040 -10.261 -9.160 1.00 0.00 H new ATOM 0 HE3 TRP A 147 18.312 -8.201 -13.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 147 18.942 -8.109 -9.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 147 19.848 -6.557 -12.911 1.00 0.00 H new ATOM 0 HH2 TRP A 147 20.174 -6.509 -10.455 1.00 0.00 H new ATOM 112 N THR A 148 14.766 -9.116 -15.902 1.00 0.00 N ATOM 113 CA THR A 148 14.527 -8.808 -17.306 1.00 0.00 C ATOM 114 C THR A 148 15.804 -9.078 -18.100 1.00 0.00 C ATOM 115 O THR A 148 16.902 -8.817 -17.613 1.00 0.00 O ATOM 116 CB THR A 148 14.089 -7.343 -17.457 1.00 0.00 C ATOM 117 OG1 THR A 148 15.158 -6.484 -17.129 1.00 0.00 O ATOM 118 CG2 THR A 148 12.898 -7.053 -16.539 1.00 0.00 C ATOM 0 H THR A 148 15.232 -8.371 -15.384 1.00 0.00 H new ATOM 0 HA THR A 148 13.728 -9.440 -17.692 1.00 0.00 H new ATOM 0 HB THR A 148 13.794 -7.171 -18.492 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.208 -6.381 -16.156 1.00 0.00 H new ATOM 0 HG21 THR A 148 12.595 -6.012 -16.654 1.00 0.00 H new ATOM 0 HG22 THR A 148 12.066 -7.704 -16.806 1.00 0.00 H new ATOM 0 HG23 THR A 148 13.184 -7.236 -15.503 1.00 0.00 H new ATOM 126 N GLU A 149 15.658 -9.601 -19.324 1.00 0.00 N ATOM 127 CA GLU A 149 16.801 -9.920 -20.174 1.00 0.00 C ATOM 128 C GLU A 149 17.696 -8.687 -20.351 1.00 0.00 C ATOM 129 O GLU A 149 18.918 -8.809 -20.397 1.00 0.00 O ATOM 130 CB GLU A 149 16.299 -10.429 -21.535 1.00 0.00 C ATOM 131 CG GLU A 149 17.149 -11.621 -21.997 1.00 0.00 C ATOM 132 CD GLU A 149 18.609 -11.225 -22.189 1.00 0.00 C ATOM 133 OE1 GLU A 149 18.850 -10.343 -23.041 1.00 0.00 O ATOM 134 OE2 GLU A 149 19.456 -11.810 -21.483 1.00 0.00 O ATOM 0 H GLU A 149 14.753 -9.811 -19.745 1.00 0.00 H new ATOM 0 HA GLU A 149 17.396 -10.701 -19.701 1.00 0.00 H new ATOM 0 HB2 GLU A 149 15.253 -10.726 -21.458 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.349 -9.628 -22.273 1.00 0.00 H new ATOM 0 HG2 GLU A 149 17.082 -12.423 -21.262 1.00 0.00 H new ATOM 0 HG3 GLU A 149 16.751 -12.012 -22.933 1.00 0.00 H new ATOM 141 N GLU A 150 17.080 -7.500 -20.450 1.00 0.00 N ATOM 142 CA GLU A 150 17.814 -6.252 -20.635 1.00 0.00 C ATOM 143 C GLU A 150 18.794 -6.023 -19.481 1.00 0.00 C ATOM 144 O GLU A 150 19.835 -5.405 -19.677 1.00 0.00 O ATOM 145 CB GLU A 150 16.818 -5.084 -20.745 1.00 0.00 C ATOM 146 CG GLU A 150 16.975 -4.380 -22.099 1.00 0.00 C ATOM 147 CD GLU A 150 18.298 -3.621 -22.181 1.00 0.00 C ATOM 148 OE1 GLU A 150 18.465 -2.687 -21.370 1.00 0.00 O ATOM 149 OE2 GLU A 150 19.114 -3.989 -23.057 1.00 0.00 O ATOM 0 H GLU A 150 16.068 -7.384 -20.404 1.00 0.00 H new ATOM 0 HA GLU A 150 18.394 -6.313 -21.556 1.00 0.00 H new ATOM 0 HB2 GLU A 150 15.799 -5.454 -20.635 1.00 0.00 H new ATOM 0 HB3 GLU A 150 16.988 -4.374 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 150 16.925 -5.116 -22.902 1.00 0.00 H new ATOM 0 HG3 GLU A 150 16.146 -3.688 -22.249 1.00 0.00 H new ATOM 156 N GLU A 151 18.462 -6.522 -18.286 1.00 0.00 N ATOM 157 CA GLU A 151 19.327 -6.387 -17.123 1.00 0.00 C ATOM 158 C GLU A 151 20.278 -7.583 -17.043 1.00 0.00 C ATOM 159 O GLU A 151 21.467 -7.418 -16.771 1.00 0.00 O ATOM 160 CB GLU A 151 18.474 -6.315 -15.858 1.00 0.00 C ATOM 161 CG GLU A 151 17.698 -4.998 -15.803 1.00 0.00 C ATOM 162 CD GLU A 151 16.775 -4.984 -14.591 1.00 0.00 C ATOM 163 OE1 GLU A 151 15.824 -5.801 -14.590 1.00 0.00 O ATOM 164 OE2 GLU A 151 17.035 -4.167 -13.683 1.00 0.00 O ATOM 0 H GLU A 151 17.594 -7.025 -18.104 1.00 0.00 H new ATOM 0 HA GLU A 151 19.914 -5.473 -17.213 1.00 0.00 H new ATOM 0 HB2 GLU A 151 17.778 -7.154 -15.834 1.00 0.00 H new ATOM 0 HB3 GLU A 151 19.111 -6.404 -14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 151 18.393 -4.160 -15.750 1.00 0.00 H new ATOM 0 HG3 GLU A 151 17.115 -4.872 -16.715 1.00 0.00 H new ATOM 171 N ASP A 152 19.745 -8.791 -17.270 1.00 0.00 N ATOM 172 CA ASP A 152 20.523 -10.019 -17.185 1.00 0.00 C ATOM 173 C ASP A 152 21.740 -9.960 -18.104 1.00 0.00 C ATOM 174 O ASP A 152 22.822 -10.384 -17.709 1.00 0.00 O ATOM 175 CB ASP A 152 19.637 -11.214 -17.550 1.00 0.00 C ATOM 176 CG ASP A 152 18.513 -11.399 -16.536 1.00 0.00 C ATOM 177 OD1 ASP A 152 18.811 -11.270 -15.329 1.00 0.00 O ATOM 178 OD2 ASP A 152 17.378 -11.669 -16.985 1.00 0.00 O ATOM 0 H ASP A 152 18.766 -8.937 -17.516 1.00 0.00 H new ATOM 0 HA ASP A 152 20.882 -10.135 -16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 152 19.213 -11.066 -18.543 1.00 0.00 H new ATOM 0 HB3 ASP A 152 20.243 -12.119 -17.594 1.00 0.00 H new ATOM 183 N ARG A 153 21.573 -9.440 -19.329 1.00 0.00 N ATOM 184 CA ARG A 153 22.679 -9.359 -20.277 1.00 0.00 C ATOM 185 C ARG A 153 23.825 -8.519 -19.696 1.00 0.00 C ATOM 186 O ARG A 153 24.990 -8.782 -19.991 1.00 0.00 O ATOM 187 CB ARG A 153 22.186 -8.788 -21.615 1.00 0.00 C ATOM 188 CG ARG A 153 21.645 -7.366 -21.426 1.00 0.00 C ATOM 189 CD ARG A 153 21.009 -6.863 -22.727 1.00 0.00 C ATOM 190 NE ARG A 153 19.889 -7.722 -23.147 1.00 0.00 N ATOM 191 CZ ARG A 153 19.034 -7.392 -24.132 1.00 0.00 C ATOM 192 NH1 ARG A 153 19.001 -6.145 -24.619 1.00 0.00 N ATOM 193 NH2 ARG A 153 18.209 -8.319 -24.627 1.00 0.00 N ATOM 0 H ARG A 153 20.688 -9.074 -19.679 1.00 0.00 H new ATOM 0 HA ARG A 153 23.065 -10.362 -20.460 1.00 0.00 H new ATOM 0 HB2 ARG A 153 23.003 -8.780 -22.336 1.00 0.00 H new ATOM 0 HB3 ARG A 153 21.405 -9.429 -22.025 1.00 0.00 H new ATOM 0 HG2 ARG A 153 20.907 -7.354 -20.624 1.00 0.00 H new ATOM 0 HG3 ARG A 153 22.453 -6.699 -21.126 1.00 0.00 H new ATOM 0 HD2 ARG A 153 20.654 -5.842 -22.589 1.00 0.00 H new ATOM 0 HD3 ARG A 153 21.762 -6.834 -23.514 1.00 0.00 H new ATOM 0 HE ARG A 153 19.755 -8.612 -22.667 1.00 0.00 H new ATOM 0 HH11 ARG A 153 19.628 -5.434 -24.243 1.00 0.00 H new ATOM 0 HH12 ARG A 153 18.349 -5.906 -25.366 1.00 0.00 H new ATOM 0 HH21 ARG A 153 18.230 -9.270 -24.258 1.00 0.00 H new ATOM 0 HH22 ARG A 153 17.558 -8.076 -25.374 1.00 0.00 H new ATOM 207 N ILE A 154 23.500 -7.514 -18.867 1.00 0.00 N ATOM 208 CA ILE A 154 24.513 -6.656 -18.262 1.00 0.00 C ATOM 209 C ILE A 154 25.322 -7.461 -17.252 1.00 0.00 C ATOM 210 O ILE A 154 26.550 -7.486 -17.318 1.00 0.00 O ATOM 211 CB ILE A 154 23.848 -5.445 -17.574 1.00 0.00 C ATOM 212 CG1 ILE A 154 22.905 -4.711 -18.549 1.00 0.00 C ATOM 213 CG2 ILE A 154 24.931 -4.483 -17.068 1.00 0.00 C ATOM 214 CD1 ILE A 154 23.666 -4.193 -19.776 1.00 0.00 C ATOM 0 H ILE A 154 22.542 -7.281 -18.605 1.00 0.00 H new ATOM 0 HA ILE A 154 25.180 -6.284 -19.040 1.00 0.00 H new ATOM 0 HB ILE A 154 23.257 -5.803 -16.731 1.00 0.00 H new ATOM 0 HG12 ILE A 154 22.112 -5.386 -18.869 1.00 0.00 H new ATOM 0 HG13 ILE A 154 22.426 -3.877 -18.036 1.00 0.00 H new ATOM 0 HG21 ILE A 154 24.460 -3.628 -16.582 1.00 0.00 H new ATOM 0 HG22 ILE A 154 25.571 -5.000 -16.353 1.00 0.00 H new ATOM 0 HG23 ILE A 154 25.532 -4.137 -17.909 1.00 0.00 H new ATOM 0 HD11 ILE A 154 22.974 -3.681 -20.444 1.00 0.00 H new ATOM 0 HD12 ILE A 154 24.443 -3.498 -19.456 1.00 0.00 H new ATOM 0 HD13 ILE A 154 24.123 -5.032 -20.301 1.00 0.00 H new ATOM 226 N ILE A 155 24.629 -8.119 -16.314 1.00 0.00 N ATOM 227 CA ILE A 155 25.285 -8.909 -15.283 1.00 0.00 C ATOM 228 C ILE A 155 26.088 -10.035 -15.932 1.00 0.00 C ATOM 229 O ILE A 155 27.208 -10.297 -15.530 1.00 0.00 O ATOM 230 CB ILE A 155 24.237 -9.481 -14.311 1.00 0.00 C ATOM 231 CG1 ILE A 155 23.453 -8.336 -13.648 1.00 0.00 C ATOM 232 CG2 ILE A 155 24.948 -10.303 -13.225 1.00 0.00 C ATOM 233 CD1 ILE A 155 22.129 -8.863 -13.093 1.00 0.00 C ATOM 0 H ILE A 155 23.611 -8.115 -16.254 1.00 0.00 H new ATOM 0 HA ILE A 155 25.967 -8.273 -14.718 1.00 0.00 H new ATOM 0 HB ILE A 155 23.545 -10.116 -14.864 1.00 0.00 H new ATOM 0 HG12 ILE A 155 24.044 -7.896 -12.845 1.00 0.00 H new ATOM 0 HG13 ILE A 155 23.264 -7.545 -14.374 1.00 0.00 H new ATOM 0 HG21 ILE A 155 24.209 -10.710 -12.535 1.00 0.00 H new ATOM 0 HG22 ILE A 155 25.499 -11.120 -13.690 1.00 0.00 H new ATOM 0 HG23 ILE A 155 25.641 -9.663 -12.679 1.00 0.00 H new ATOM 0 HD11 ILE A 155 21.580 -8.046 -12.625 1.00 0.00 H new ATOM 0 HD12 ILE A 155 21.535 -9.281 -13.905 1.00 0.00 H new ATOM 0 HD13 ILE A 155 22.328 -9.638 -12.352 1.00 0.00 H new ATOM 245 N TYR A 156 25.507 -10.696 -16.934 1.00 0.00 N ATOM 246 CA TYR A 156 26.158 -11.798 -17.625 1.00 0.00 C ATOM 247 C TYR A 156 27.493 -11.347 -18.221 1.00 0.00 C ATOM 248 O TYR A 156 28.535 -11.922 -17.911 1.00 0.00 O ATOM 249 CB TYR A 156 25.216 -12.320 -18.715 1.00 0.00 C ATOM 250 CG TYR A 156 25.754 -13.522 -19.461 1.00 0.00 C ATOM 251 CD1 TYR A 156 25.905 -14.753 -18.797 1.00 0.00 C ATOM 252 CD2 TYR A 156 26.091 -13.414 -20.823 1.00 0.00 C ATOM 253 CE1 TYR A 156 26.391 -15.873 -19.493 1.00 0.00 C ATOM 254 CE2 TYR A 156 26.577 -14.535 -21.519 1.00 0.00 C ATOM 255 CZ TYR A 156 26.725 -15.764 -20.854 1.00 0.00 C ATOM 256 OH TYR A 156 27.199 -16.851 -21.528 1.00 0.00 O ATOM 0 H TYR A 156 24.574 -10.480 -17.285 1.00 0.00 H new ATOM 0 HA TYR A 156 26.372 -12.601 -16.919 1.00 0.00 H new ATOM 0 HB2 TYR A 156 24.260 -12.583 -18.261 1.00 0.00 H new ATOM 0 HB3 TYR A 156 25.021 -11.519 -19.428 1.00 0.00 H new ATOM 0 HD1 TYR A 156 25.647 -14.837 -17.752 1.00 0.00 H new ATOM 0 HD2 TYR A 156 25.976 -12.470 -21.334 1.00 0.00 H new ATOM 0 HE1 TYR A 156 26.508 -16.817 -18.982 1.00 0.00 H new ATOM 0 HE2 TYR A 156 26.836 -14.451 -22.564 1.00 0.00 H new ATOM 0 HH TYR A 156 27.380 -16.605 -22.459 1.00 0.00 H new ATOM 266 N GLN A 157 27.461 -10.322 -19.080 1.00 0.00 N ATOM 267 CA GLN A 157 28.663 -9.825 -19.738 1.00 0.00 C ATOM 268 C GLN A 157 29.683 -9.344 -18.699 1.00 0.00 C ATOM 269 O GLN A 157 30.844 -9.749 -18.734 1.00 0.00 O ATOM 270 CB GLN A 157 28.275 -8.689 -20.700 1.00 0.00 C ATOM 271 CG GLN A 157 29.290 -8.585 -21.850 1.00 0.00 C ATOM 272 CD GLN A 157 30.675 -8.180 -21.352 1.00 0.00 C ATOM 273 OE1 GLN A 157 31.650 -8.892 -21.580 1.00 0.00 O ATOM 274 NE2 GLN A 157 30.762 -7.034 -20.676 1.00 0.00 N ATOM 0 H GLN A 157 26.609 -9.822 -19.333 1.00 0.00 H new ATOM 0 HA GLN A 157 29.129 -10.629 -20.308 1.00 0.00 H new ATOM 0 HB2 GLN A 157 27.278 -8.870 -21.102 1.00 0.00 H new ATOM 0 HB3 GLN A 157 28.233 -7.744 -20.158 1.00 0.00 H new ATOM 0 HG2 GLN A 157 29.355 -9.544 -22.364 1.00 0.00 H new ATOM 0 HG3 GLN A 157 28.939 -7.855 -22.579 1.00 0.00 H new ATOM 0 HE21 GLN A 157 29.925 -6.475 -20.510 1.00 0.00 H new ATOM 0 HE22 GLN A 157 31.665 -6.716 -20.325 1.00 0.00 H new ATOM 283 N ALA A 158 29.249 -8.473 -17.782 1.00 0.00 N ATOM 284 CA ALA A 158 30.130 -7.904 -16.771 1.00 0.00 C ATOM 285 C ALA A 158 30.755 -8.998 -15.901 1.00 0.00 C ATOM 286 O ALA A 158 31.957 -8.983 -15.668 1.00 0.00 O ATOM 287 CB ALA A 158 29.333 -6.926 -15.911 1.00 0.00 C ATOM 0 H ALA A 158 28.284 -8.148 -17.724 1.00 0.00 H new ATOM 0 HA ALA A 158 30.945 -7.377 -17.267 1.00 0.00 H new ATOM 0 HB1 ALA A 158 29.985 -6.495 -15.151 1.00 0.00 H new ATOM 0 HB2 ALA A 158 28.933 -6.130 -16.540 1.00 0.00 H new ATOM 0 HB3 ALA A 158 28.511 -7.453 -15.427 1.00 0.00 H new ATOM 293 N HIS A 159 29.937 -9.936 -15.418 1.00 0.00 N ATOM 294 CA HIS A 159 30.405 -11.008 -14.546 1.00 0.00 C ATOM 295 C HIS A 159 31.484 -11.842 -15.238 1.00 0.00 C ATOM 296 O HIS A 159 32.444 -12.257 -14.600 1.00 0.00 O ATOM 297 CB HIS A 159 29.215 -11.887 -14.144 1.00 0.00 C ATOM 298 CG HIS A 159 29.586 -12.971 -13.166 1.00 0.00 C ATOM 299 ND1 HIS A 159 30.245 -14.135 -13.544 1.00 0.00 N ATOM 300 CD2 HIS A 159 29.396 -13.099 -11.814 1.00 0.00 C ATOM 301 CE1 HIS A 159 30.408 -14.870 -12.426 1.00 0.00 C ATOM 302 NE2 HIS A 159 29.910 -14.294 -11.333 1.00 0.00 N ATOM 0 H HIS A 159 28.938 -9.971 -15.621 1.00 0.00 H new ATOM 0 HA HIS A 159 30.849 -10.572 -13.651 1.00 0.00 H new ATOM 0 HB2 HIS A 159 28.439 -11.260 -13.705 1.00 0.00 H new ATOM 0 HB3 HIS A 159 28.789 -12.342 -15.038 1.00 0.00 H new ATOM 0 HD1 HIS A 159 30.547 -14.385 -14.486 1.00 0.00 H new ATOM 0 HD2 HIS A 159 28.906 -12.359 -11.199 1.00 0.00 H new ATOM 0 HE1 HIS A 159 30.896 -15.834 -12.417 1.00 0.00 H new ATOM 310 N LYS A 160 31.328 -12.094 -16.539 1.00 0.00 N ATOM 311 CA LYS A 160 32.290 -12.898 -17.282 1.00 0.00 C ATOM 312 C LYS A 160 33.647 -12.189 -17.374 1.00 0.00 C ATOM 313 O LYS A 160 34.666 -12.846 -17.577 1.00 0.00 O ATOM 314 CB LYS A 160 31.742 -13.183 -18.683 1.00 0.00 C ATOM 315 CG LYS A 160 30.620 -14.223 -18.597 1.00 0.00 C ATOM 316 CD LYS A 160 29.825 -14.256 -19.910 1.00 0.00 C ATOM 317 CE LYS A 160 30.739 -14.586 -21.098 1.00 0.00 C ATOM 318 NZ LYS A 160 31.452 -15.861 -20.895 1.00 0.00 N ATOM 0 H LYS A 160 30.545 -11.752 -17.096 1.00 0.00 H new ATOM 0 HA LYS A 160 32.442 -13.839 -16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 160 31.365 -12.263 -19.131 1.00 0.00 H new ATOM 0 HB3 LYS A 160 32.540 -13.548 -19.329 1.00 0.00 H new ATOM 0 HG2 LYS A 160 31.042 -15.207 -18.394 1.00 0.00 H new ATOM 0 HG3 LYS A 160 29.955 -13.984 -17.767 1.00 0.00 H new ATOM 0 HD2 LYS A 160 29.031 -14.999 -19.840 1.00 0.00 H new ATOM 0 HD3 LYS A 160 29.345 -13.291 -20.073 1.00 0.00 H new ATOM 0 HE2 LYS A 160 30.145 -14.641 -22.010 1.00 0.00 H new ATOM 0 HE3 LYS A 160 31.462 -13.782 -21.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 31.912 -16.147 -21.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 32.173 -15.742 -20.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 30.775 -16.595 -20.604 1.00 0.00 H new ATOM 332 N ARG A 161 33.661 -10.856 -17.234 1.00 0.00 N ATOM 333 CA ARG A 161 34.890 -10.079 -17.340 1.00 0.00 C ATOM 334 C ARG A 161 35.492 -9.820 -15.957 1.00 0.00 C ATOM 335 O ARG A 161 36.687 -10.020 -15.755 1.00 0.00 O ATOM 336 CB ARG A 161 34.586 -8.746 -18.040 1.00 0.00 C ATOM 337 CG ARG A 161 34.094 -8.990 -19.475 1.00 0.00 C ATOM 338 CD ARG A 161 35.280 -9.306 -20.395 1.00 0.00 C ATOM 339 NE ARG A 161 34.831 -9.513 -21.780 1.00 0.00 N ATOM 340 CZ ARG A 161 34.504 -8.506 -22.612 1.00 0.00 C ATOM 341 NH1 ARG A 161 34.568 -7.234 -22.195 1.00 0.00 N ATOM 342 NH2 ARG A 161 34.113 -8.778 -23.864 1.00 0.00 N ATOM 0 H ARG A 161 32.828 -10.298 -17.046 1.00 0.00 H new ATOM 0 HA ARG A 161 35.616 -10.644 -17.924 1.00 0.00 H new ATOM 0 HB2 ARG A 161 33.829 -8.198 -17.478 1.00 0.00 H new ATOM 0 HB3 ARG A 161 35.482 -8.125 -18.057 1.00 0.00 H new ATOM 0 HG2 ARG A 161 33.384 -9.817 -19.488 1.00 0.00 H new ATOM 0 HG3 ARG A 161 33.565 -8.110 -19.841 1.00 0.00 H new ATOM 0 HD2 ARG A 161 36.000 -8.488 -20.361 1.00 0.00 H new ATOM 0 HD3 ARG A 161 35.794 -10.198 -20.038 1.00 0.00 H new ATOM 0 HE ARG A 161 34.764 -10.469 -22.129 1.00 0.00 H new ATOM 0 HH11 ARG A 161 34.866 -7.024 -21.242 1.00 0.00 H new ATOM 0 HH12 ARG A 161 34.319 -6.476 -22.830 1.00 0.00 H new ATOM 0 HH21 ARG A 161 34.064 -9.745 -24.184 1.00 0.00 H new ATOM 0 HH22 ARG A 161 33.864 -8.018 -24.497 1.00 0.00 H new ATOM 356 N LEU A 162 34.663 -9.359 -15.014 1.00 0.00 N ATOM 357 CA LEU A 162 35.122 -9.002 -13.677 1.00 0.00 C ATOM 358 C LEU A 162 34.995 -10.192 -12.727 1.00 0.00 C ATOM 359 O LEU A 162 35.973 -10.585 -12.093 1.00 0.00 O ATOM 360 CB LEU A 162 34.295 -7.813 -13.154 1.00 0.00 C ATOM 361 CG LEU A 162 34.381 -6.620 -14.121 1.00 0.00 C ATOM 362 CD1 LEU A 162 33.301 -5.599 -13.756 1.00 0.00 C ATOM 363 CD2 LEU A 162 35.759 -5.959 -14.019 1.00 0.00 C ATOM 0 H LEU A 162 33.662 -9.225 -15.159 1.00 0.00 H new ATOM 0 HA LEU A 162 36.173 -8.719 -13.727 1.00 0.00 H new ATOM 0 HB2 LEU A 162 33.254 -8.114 -13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 162 34.658 -7.516 -12.170 1.00 0.00 H new ATOM 0 HG LEU A 162 34.230 -6.973 -15.141 1.00 0.00 H new ATOM 0 HD11 LEU A 162 33.357 -4.751 -14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 162 32.319 -6.064 -13.835 1.00 0.00 H new ATOM 0 HD13 LEU A 162 33.457 -5.254 -12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 162 35.810 -5.116 -14.708 1.00 0.00 H new ATOM 0 HD22 LEU A 162 35.919 -5.606 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 162 36.531 -6.685 -14.277 1.00 0.00 H new ATOM 375 N GLY A 163 33.784 -10.752 -12.622 1.00 0.00 N ATOM 376 CA GLY A 163 33.504 -11.861 -11.718 1.00 0.00 C ATOM 377 C GLY A 163 32.367 -11.463 -10.786 1.00 0.00 C ATOM 378 O GLY A 163 31.410 -10.825 -11.217 1.00 0.00 O ATOM 0 H GLY A 163 32.975 -10.446 -13.163 1.00 0.00 H new ATOM 0 HA2 GLY A 163 33.232 -12.751 -12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 163 34.394 -12.111 -11.141 1.00 0.00 H new ATOM 382 N ASN A 164 32.473 -11.824 -9.500 1.00 0.00 N ATOM 383 CA ASN A 164 31.450 -11.476 -8.516 1.00 0.00 C ATOM 384 C ASN A 164 31.661 -10.040 -8.024 1.00 0.00 C ATOM 385 O ASN A 164 31.466 -9.754 -6.844 1.00 0.00 O ATOM 386 CB ASN A 164 31.512 -12.459 -7.340 1.00 0.00 C ATOM 387 CG ASN A 164 31.456 -13.903 -7.826 1.00 0.00 C ATOM 388 OD1 ASN A 164 32.434 -14.639 -7.712 1.00 0.00 O ATOM 389 ND2 ASN A 164 30.309 -14.307 -8.371 1.00 0.00 N ATOM 0 H ASN A 164 33.257 -12.356 -9.122 1.00 0.00 H new ATOM 0 HA ASN A 164 30.466 -11.541 -8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 164 32.430 -12.298 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 164 30.682 -12.269 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 164 30.216 -15.263 -8.715 1.00 0.00 H new ATOM 0 HD22 ASN A 164 29.524 -13.660 -8.444 1.00 0.00 H new ATOM 396 N ARG A 165 32.059 -9.137 -8.931 1.00 0.00 N ATOM 397 CA ARG A 165 32.293 -7.745 -8.588 1.00 0.00 C ATOM 398 C ARG A 165 30.960 -7.008 -8.604 1.00 0.00 C ATOM 399 O ARG A 165 30.715 -6.168 -9.473 1.00 0.00 O ATOM 400 CB ARG A 165 33.278 -7.121 -9.590 1.00 0.00 C ATOM 401 CG ARG A 165 34.728 -7.408 -9.175 1.00 0.00 C ATOM 402 CD ARG A 165 35.004 -8.914 -9.191 1.00 0.00 C ATOM 403 NE ARG A 165 36.448 -9.178 -9.225 1.00 0.00 N ATOM 404 CZ ARG A 165 36.971 -10.416 -9.182 1.00 0.00 C ATOM 405 NH1 ARG A 165 36.170 -11.480 -9.034 1.00 0.00 N ATOM 406 NH2 ARG A 165 38.295 -10.585 -9.286 1.00 0.00 N ATOM 0 H ARG A 165 32.224 -9.358 -9.913 1.00 0.00 H new ATOM 0 HA ARG A 165 32.731 -7.669 -7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 165 33.094 -7.522 -10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 165 33.116 -6.044 -9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 165 35.414 -6.900 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 165 34.912 -7.009 -8.177 1.00 0.00 H new ATOM 0 HD2 ARG A 165 34.565 -9.378 -8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 165 34.526 -9.367 -10.060 1.00 0.00 H new ATOM 0 HE ARG A 165 37.085 -8.384 -9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 165 35.161 -11.352 -8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 165 36.569 -12.418 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 165 38.905 -9.775 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 165 38.693 -11.523 -9.254 1.00 0.00 H new ATOM 420 N TRP A 166 30.093 -7.325 -7.639 1.00 0.00 N ATOM 421 CA TRP A 166 28.791 -6.694 -7.551 1.00 0.00 C ATOM 422 C TRP A 166 28.953 -5.199 -7.318 1.00 0.00 C ATOM 423 O TRP A 166 28.086 -4.440 -7.679 1.00 0.00 O ATOM 424 CB TRP A 166 27.968 -7.316 -6.430 1.00 0.00 C ATOM 425 CG TRP A 166 28.074 -8.797 -6.317 1.00 0.00 C ATOM 426 CD1 TRP A 166 28.490 -9.448 -5.231 1.00 0.00 C ATOM 427 CD2 TRP A 166 27.771 -9.833 -7.301 1.00 0.00 C ATOM 428 NE1 TRP A 166 28.481 -10.806 -5.431 1.00 0.00 N ATOM 429 CE2 TRP A 166 28.039 -11.107 -6.707 1.00 0.00 C ATOM 430 CE3 TRP A 166 27.297 -9.837 -8.635 1.00 0.00 C ATOM 431 CZ2 TRP A 166 27.849 -12.309 -7.392 1.00 0.00 C ATOM 432 CZ3 TRP A 166 27.104 -11.051 -9.331 1.00 0.00 C ATOM 433 CH2 TRP A 166 27.381 -12.282 -8.711 1.00 0.00 C ATOM 0 H TRP A 166 30.277 -8.016 -6.912 1.00 0.00 H new ATOM 0 HA TRP A 166 28.263 -6.852 -8.492 1.00 0.00 H new ATOM 0 HB2 TRP A 166 28.277 -6.872 -5.484 1.00 0.00 H new ATOM 0 HB3 TRP A 166 26.921 -7.052 -6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 166 28.795 -8.969 -4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 166 28.761 -11.497 -4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 166 27.080 -8.900 -9.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 28.061 -13.251 -6.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 26.741 -11.033 -10.348 1.00 0.00 H new ATOM 0 HH2 TRP A 166 27.233 -13.205 -9.251 1.00 0.00 H new ATOM 444 N ALA A 167 30.067 -4.776 -6.719 1.00 0.00 N ATOM 445 CA ALA A 167 30.309 -3.363 -6.479 1.00 0.00 C ATOM 446 C ALA A 167 30.224 -2.593 -7.799 1.00 0.00 C ATOM 447 O ALA A 167 29.607 -1.533 -7.862 1.00 0.00 O ATOM 448 CB ALA A 167 31.684 -3.186 -5.835 1.00 0.00 C ATOM 0 H ALA A 167 30.811 -5.394 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 167 29.552 -2.968 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 167 31.867 -2.127 -5.654 1.00 0.00 H new ATOM 0 HB2 ALA A 167 31.715 -3.726 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 167 32.451 -3.578 -6.502 1.00 0.00 H new ATOM 454 N GLU A 168 30.848 -3.132 -8.854 1.00 0.00 N ATOM 455 CA GLU A 168 30.860 -2.491 -10.160 1.00 0.00 C ATOM 456 C GLU A 168 29.519 -2.701 -10.866 1.00 0.00 C ATOM 457 O GLU A 168 28.891 -1.738 -11.303 1.00 0.00 O ATOM 458 CB GLU A 168 32.008 -3.069 -10.994 1.00 0.00 C ATOM 459 CG GLU A 168 33.349 -2.741 -10.329 1.00 0.00 C ATOM 460 CD GLU A 168 34.510 -3.284 -11.150 1.00 0.00 C ATOM 461 OE1 GLU A 168 34.792 -2.677 -12.205 1.00 0.00 O ATOM 462 OE2 GLU A 168 35.093 -4.298 -10.708 1.00 0.00 O ATOM 0 H GLU A 168 31.353 -4.018 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 168 31.012 -1.419 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 168 31.893 -4.149 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 168 31.981 -2.656 -12.002 1.00 0.00 H new ATOM 0 HG2 GLU A 168 33.450 -1.661 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 168 33.376 -3.168 -9.326 1.00 0.00 H new ATOM 469 N ILE A 169 29.085 -3.962 -10.979 1.00 0.00 N ATOM 470 CA ILE A 169 27.829 -4.299 -11.649 1.00 0.00 C ATOM 471 C ILE A 169 26.665 -3.510 -11.028 1.00 0.00 C ATOM 472 O ILE A 169 25.823 -2.973 -11.746 1.00 0.00 O ATOM 473 CB ILE A 169 27.589 -5.815 -11.539 1.00 0.00 C ATOM 474 CG1 ILE A 169 28.735 -6.576 -12.231 1.00 0.00 C ATOM 475 CG2 ILE A 169 26.260 -6.177 -12.214 1.00 0.00 C ATOM 476 CD1 ILE A 169 28.753 -8.038 -11.775 1.00 0.00 C ATOM 0 H ILE A 169 29.591 -4.768 -10.612 1.00 0.00 H new ATOM 0 HA ILE A 169 27.891 -4.026 -12.703 1.00 0.00 H new ATOM 0 HB ILE A 169 27.552 -6.094 -10.486 1.00 0.00 H new ATOM 0 HG12 ILE A 169 28.612 -6.527 -13.313 1.00 0.00 H new ATOM 0 HG13 ILE A 169 29.689 -6.103 -11.997 1.00 0.00 H new ATOM 0 HG21 ILE A 169 26.092 -7.251 -12.135 1.00 0.00 H new ATOM 0 HG22 ILE A 169 25.445 -5.645 -11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 169 26.297 -5.892 -13.265 1.00 0.00 H new ATOM 0 HD11 ILE A 169 29.568 -8.564 -12.272 1.00 0.00 H new ATOM 0 HD12 ILE A 169 28.898 -8.081 -10.696 1.00 0.00 H new ATOM 0 HD13 ILE A 169 27.805 -8.511 -12.032 1.00 0.00 H new ATOM 488 N ALA A 170 26.627 -3.447 -9.696 1.00 0.00 N ATOM 489 CA ALA A 170 25.578 -2.745 -8.969 1.00 0.00 C ATOM 490 C ALA A 170 25.636 -1.248 -9.279 1.00 0.00 C ATOM 491 O ALA A 170 24.603 -0.630 -9.509 1.00 0.00 O ATOM 492 CB ALA A 170 25.730 -3.004 -7.463 1.00 0.00 C ATOM 0 H ALA A 170 27.325 -3.883 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 170 24.604 -3.118 -9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 170 24.944 -2.477 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 170 25.651 -4.073 -7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 170 26.703 -2.645 -7.129 1.00 0.00 H new ATOM 498 N LYS A 171 26.841 -0.662 -9.296 1.00 0.00 N ATOM 499 CA LYS A 171 26.997 0.755 -9.609 1.00 0.00 C ATOM 500 C LYS A 171 26.466 1.034 -11.019 1.00 0.00 C ATOM 501 O LYS A 171 25.831 2.061 -11.250 1.00 0.00 O ATOM 502 CB LYS A 171 28.471 1.158 -9.499 1.00 0.00 C ATOM 503 CG LYS A 171 28.821 1.446 -8.034 1.00 0.00 C ATOM 504 CD LYS A 171 30.342 1.564 -7.867 1.00 0.00 C ATOM 505 CE LYS A 171 30.863 2.797 -8.614 1.00 0.00 C ATOM 506 NZ LYS A 171 32.295 3.013 -8.343 1.00 0.00 N ATOM 0 H LYS A 171 27.715 -1.149 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 171 26.424 1.347 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 171 29.106 0.360 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 171 28.663 2.041 -10.109 1.00 0.00 H new ATOM 0 HG2 LYS A 171 28.340 2.369 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 171 28.438 0.648 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 171 30.594 1.637 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 171 30.828 0.666 -8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 171 30.707 2.670 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 171 30.295 3.677 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 32.623 3.853 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 32.437 3.157 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 32.837 2.181 -8.654 1.00 0.00 H new ATOM 520 N LEU A 172 26.725 0.113 -11.958 1.00 0.00 N ATOM 521 CA LEU A 172 26.265 0.257 -13.335 1.00 0.00 C ATOM 522 C LEU A 172 24.739 0.108 -13.410 1.00 0.00 C ATOM 523 O LEU A 172 24.129 0.544 -14.385 1.00 0.00 O ATOM 524 CB LEU A 172 26.953 -0.795 -14.217 1.00 0.00 C ATOM 525 CG LEU A 172 28.444 -0.459 -14.384 1.00 0.00 C ATOM 526 CD1 LEU A 172 29.200 -1.711 -14.835 1.00 0.00 C ATOM 527 CD2 LEU A 172 28.619 0.642 -15.436 1.00 0.00 C ATOM 0 H LEU A 172 27.254 -0.741 -11.782 1.00 0.00 H new ATOM 0 HA LEU A 172 26.526 1.252 -13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 172 26.844 -1.783 -13.769 1.00 0.00 H new ATOM 0 HB3 LEU A 172 26.470 -0.833 -15.193 1.00 0.00 H new ATOM 0 HG LEU A 172 28.840 -0.111 -13.430 1.00 0.00 H new ATOM 0 HD11 LEU A 172 30.257 -1.474 -14.954 1.00 0.00 H new ATOM 0 HD12 LEU A 172 29.085 -2.495 -14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 172 28.796 -2.057 -15.787 1.00 0.00 H new ATOM 0 HD21 LEU A 172 29.678 0.874 -15.548 1.00 0.00 H new ATOM 0 HD22 LEU A 172 28.220 0.300 -16.391 1.00 0.00 H new ATOM 0 HD23 LEU A 172 28.084 1.537 -15.119 1.00 0.00 H new ATOM 539 N LEU A 173 24.127 -0.504 -12.381 1.00 0.00 N ATOM 540 CA LEU A 173 22.679 -0.696 -12.324 1.00 0.00 C ATOM 541 C LEU A 173 22.132 -0.051 -11.043 1.00 0.00 C ATOM 542 O LEU A 173 21.871 -0.754 -10.070 1.00 0.00 O ATOM 543 CB LEU A 173 22.366 -2.202 -12.338 1.00 0.00 C ATOM 544 CG LEU A 173 22.823 -2.845 -13.658 1.00 0.00 C ATOM 545 CD1 LEU A 173 22.731 -4.368 -13.534 1.00 0.00 C ATOM 546 CD2 LEU A 173 21.929 -2.379 -14.812 1.00 0.00 C ATOM 0 H LEU A 173 24.625 -0.876 -11.572 1.00 0.00 H new ATOM 0 HA LEU A 173 22.206 -0.227 -13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 173 22.865 -2.689 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 173 21.295 -2.356 -12.205 1.00 0.00 H new ATOM 0 HG LEU A 173 23.851 -2.547 -13.862 1.00 0.00 H new ATOM 0 HD11 LEU A 173 23.054 -4.829 -14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 173 23.373 -4.706 -12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 173 21.700 -4.654 -13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 173 22.263 -2.841 -15.741 1.00 0.00 H new ATOM 0 HD22 LEU A 173 20.897 -2.669 -14.613 1.00 0.00 H new ATOM 0 HD23 LEU A 173 21.990 -1.295 -14.904 1.00 0.00 H new ATOM 558 N PRO A 174 21.957 1.291 -11.034 1.00 0.00 N ATOM 559 CA PRO A 174 21.475 2.016 -9.868 1.00 0.00 C ATOM 560 C PRO A 174 20.120 1.486 -9.387 1.00 0.00 C ATOM 561 O PRO A 174 19.838 1.511 -8.192 1.00 0.00 O ATOM 562 CB PRO A 174 21.377 3.483 -10.297 1.00 0.00 C ATOM 563 CG PRO A 174 21.883 3.565 -11.742 1.00 0.00 C ATOM 564 CD PRO A 174 22.238 2.142 -12.172 1.00 0.00 C ATOM 0 HA PRO A 174 22.153 1.891 -9.024 1.00 0.00 H new ATOM 0 HB2 PRO A 174 20.348 3.836 -10.229 1.00 0.00 H new ATOM 0 HB3 PRO A 174 21.976 4.116 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 174 21.119 3.986 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 174 22.754 4.217 -11.809 1.00 0.00 H new ATOM 0 HD2 PRO A 174 21.650 1.839 -13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 174 23.287 2.073 -12.459 1.00 0.00 H new ATOM 572 N GLY A 175 19.282 1.007 -10.318 1.00 0.00 N ATOM 573 CA GLY A 175 17.967 0.478 -9.976 1.00 0.00 C ATOM 574 C GLY A 175 18.086 -0.824 -9.174 1.00 0.00 C ATOM 575 O GLY A 175 17.097 -1.290 -8.609 1.00 0.00 O ATOM 0 H GLY A 175 19.499 0.978 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY A 175 17.414 1.217 -9.396 1.00 0.00 H new ATOM 0 HA3 GLY A 175 17.397 0.297 -10.887 1.00 0.00 H new ATOM 579 N ARG A 176 19.293 -1.408 -9.131 1.00 0.00 N ATOM 580 CA ARG A 176 19.547 -2.652 -8.417 1.00 0.00 C ATOM 581 C ARG A 176 20.595 -2.409 -7.327 1.00 0.00 C ATOM 582 O ARG A 176 21.096 -1.295 -7.183 1.00 0.00 O ATOM 583 CB ARG A 176 20.033 -3.710 -9.415 1.00 0.00 C ATOM 584 CG ARG A 176 19.004 -3.902 -10.543 1.00 0.00 C ATOM 585 CD ARG A 176 17.744 -4.583 -9.998 1.00 0.00 C ATOM 586 NE ARG A 176 16.920 -5.107 -11.097 1.00 0.00 N ATOM 587 CZ ARG A 176 15.990 -6.064 -10.933 1.00 0.00 C ATOM 588 NH1 ARG A 176 15.698 -6.519 -9.706 1.00 0.00 N ATOM 589 NH2 ARG A 176 15.352 -6.564 -11.997 1.00 0.00 N ATOM 0 H ARG A 176 20.117 -1.024 -9.594 1.00 0.00 H new ATOM 0 HA ARG A 176 18.633 -3.009 -7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 176 20.991 -3.407 -9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 176 20.197 -4.656 -8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 176 18.745 -2.936 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 176 19.436 -4.506 -11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 176 18.025 -5.396 -9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 176 17.165 -3.871 -9.410 1.00 0.00 H new ATOM 0 HE ARG A 176 17.061 -4.725 -12.032 1.00 0.00 H new ATOM 0 HH11 ARG A 176 16.182 -6.139 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 176 14.992 -7.245 -9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 176 15.571 -6.219 -12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 176 14.646 -7.290 -11.874 1.00 0.00 H new ATOM 603 N THR A 177 20.923 -3.458 -6.556 1.00 0.00 N ATOM 604 CA THR A 177 21.902 -3.360 -5.477 1.00 0.00 C ATOM 605 C THR A 177 22.753 -4.627 -5.432 1.00 0.00 C ATOM 606 O THR A 177 22.340 -5.672 -5.940 1.00 0.00 O ATOM 607 CB THR A 177 21.179 -3.163 -4.136 1.00 0.00 C ATOM 608 OG1 THR A 177 20.274 -4.228 -3.924 1.00 0.00 O ATOM 609 CG2 THR A 177 20.416 -1.836 -4.136 1.00 0.00 C ATOM 0 H THR A 177 20.518 -4.387 -6.666 1.00 0.00 H new ATOM 0 HA THR A 177 22.552 -2.504 -5.659 1.00 0.00 H new ATOM 0 HB THR A 177 21.919 -3.147 -3.336 1.00 0.00 H new ATOM 0 HG1 THR A 177 19.815 -4.102 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 177 19.908 -1.708 -3.180 1.00 0.00 H new ATOM 0 HG22 THR A 177 21.116 -1.014 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 177 19.680 -1.839 -4.940 1.00 0.00 H new ATOM 617 N ASP A 178 23.941 -4.528 -4.814 1.00 0.00 N ATOM 618 CA ASP A 178 24.853 -5.655 -4.671 1.00 0.00 C ATOM 619 C ASP A 178 24.109 -6.881 -4.150 1.00 0.00 C ATOM 620 O ASP A 178 24.211 -7.959 -4.725 1.00 0.00 O ATOM 621 CB ASP A 178 25.975 -5.279 -3.697 1.00 0.00 C ATOM 622 CG ASP A 178 26.806 -4.116 -4.221 1.00 0.00 C ATOM 623 OD1 ASP A 178 26.221 -3.020 -4.372 1.00 0.00 O ATOM 624 OD2 ASP A 178 28.009 -4.345 -4.457 1.00 0.00 O ATOM 0 H ASP A 178 24.288 -3.662 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 178 25.277 -5.894 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 178 25.545 -5.014 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 178 26.620 -6.143 -3.533 1.00 0.00 H new ATOM 629 N ASN A 179 23.366 -6.708 -3.051 1.00 0.00 N ATOM 630 CA ASN A 179 22.624 -7.795 -2.428 1.00 0.00 C ATOM 631 C ASN A 179 21.659 -8.433 -3.425 1.00 0.00 C ATOM 632 O ASN A 179 21.653 -9.651 -3.586 1.00 0.00 O ATOM 633 CB ASN A 179 21.854 -7.252 -1.219 1.00 0.00 C ATOM 634 CG ASN A 179 22.806 -6.663 -0.183 1.00 0.00 C ATOM 635 OD1 ASN A 179 23.235 -5.520 -0.314 1.00 0.00 O ATOM 636 ND2 ASN A 179 23.134 -7.443 0.847 1.00 0.00 N ATOM 0 H ASN A 179 23.266 -5.812 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 179 23.326 -8.562 -2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 179 21.149 -6.488 -1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 179 21.269 -8.053 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 179 23.766 -7.096 1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 179 22.753 -8.387 0.914 1.00 0.00 H new ATOM 643 N ALA A 180 20.837 -7.609 -4.086 1.00 0.00 N ATOM 644 CA ALA A 180 19.843 -8.098 -5.031 1.00 0.00 C ATOM 645 C ALA A 180 20.500 -8.923 -6.140 1.00 0.00 C ATOM 646 O ALA A 180 20.066 -10.040 -6.417 1.00 0.00 O ATOM 647 CB ALA A 180 19.083 -6.910 -5.624 1.00 0.00 C ATOM 0 H ALA A 180 20.846 -6.595 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 180 19.145 -8.749 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 180 18.338 -7.272 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 180 18.587 -6.360 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 180 19.782 -6.251 -6.138 1.00 0.00 H new ATOM 653 N ILE A 181 21.538 -8.371 -6.779 1.00 0.00 N ATOM 654 CA ILE A 181 22.215 -9.049 -7.879 1.00 0.00 C ATOM 655 C ILE A 181 22.881 -10.333 -7.382 1.00 0.00 C ATOM 656 O ILE A 181 22.731 -11.384 -7.998 1.00 0.00 O ATOM 657 CB ILE A 181 23.257 -8.114 -8.509 1.00 0.00 C ATOM 658 CG1 ILE A 181 22.575 -6.856 -9.067 1.00 0.00 C ATOM 659 CG2 ILE A 181 23.959 -8.850 -9.654 1.00 0.00 C ATOM 660 CD1 ILE A 181 23.563 -5.691 -9.078 1.00 0.00 C ATOM 0 H ILE A 181 21.924 -7.455 -6.549 1.00 0.00 H new ATOM 0 HA ILE A 181 21.478 -9.315 -8.637 1.00 0.00 H new ATOM 0 HB ILE A 181 23.979 -7.820 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 181 22.212 -7.046 -10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 181 21.707 -6.602 -8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 181 24.701 -8.193 -10.108 1.00 0.00 H new ATOM 0 HG22 ILE A 181 24.452 -9.741 -9.266 1.00 0.00 H new ATOM 0 HG23 ILE A 181 23.224 -9.140 -10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 181 23.073 -4.802 -9.475 1.00 0.00 H new ATOM 0 HD12 ILE A 181 23.905 -5.494 -8.062 1.00 0.00 H new ATOM 0 HD13 ILE A 181 24.418 -5.945 -9.705 1.00 0.00 H new ATOM 672 N LYS A 182 23.622 -10.240 -6.273 1.00 0.00 N ATOM 673 CA LYS A 182 24.322 -11.383 -5.706 1.00 0.00 C ATOM 674 C LYS A 182 23.343 -12.527 -5.451 1.00 0.00 C ATOM 675 O LYS A 182 23.574 -13.649 -5.896 1.00 0.00 O ATOM 676 CB LYS A 182 25.010 -10.953 -4.404 1.00 0.00 C ATOM 677 CG LYS A 182 25.761 -12.138 -3.788 1.00 0.00 C ATOM 678 CD LYS A 182 26.455 -11.688 -2.501 1.00 0.00 C ATOM 679 CE LYS A 182 27.166 -12.881 -1.857 1.00 0.00 C ATOM 680 NZ LYS A 182 27.788 -12.498 -0.577 1.00 0.00 N ATOM 0 H LYS A 182 23.749 -9.373 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 182 25.077 -11.738 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 182 25.704 -10.137 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 182 24.269 -10.576 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 182 25.067 -12.951 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 182 26.496 -12.524 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS A 182 27.174 -10.898 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 182 25.724 -11.270 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 182 26.452 -13.688 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 182 27.928 -13.264 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 28.263 -13.324 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 28.485 -11.744 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 27.055 -12.155 0.076 1.00 0.00 H new ATOM 694 N ASN A 183 22.256 -12.238 -4.731 1.00 0.00 N ATOM 695 CA ASN A 183 21.254 -13.241 -4.400 1.00 0.00 C ATOM 696 C ASN A 183 20.650 -13.824 -5.676 1.00 0.00 C ATOM 697 O ASN A 183 20.563 -15.041 -5.817 1.00 0.00 O ATOM 698 CB ASN A 183 20.161 -12.605 -3.532 1.00 0.00 C ATOM 699 CG ASN A 183 20.710 -12.166 -2.174 1.00 0.00 C ATOM 700 OD1 ASN A 183 21.832 -12.508 -1.808 1.00 0.00 O ATOM 701 ND2 ASN A 183 19.911 -11.405 -1.426 1.00 0.00 N ATOM 0 H ASN A 183 22.051 -11.308 -4.366 1.00 0.00 H new ATOM 0 HA ASN A 183 21.725 -14.051 -3.843 1.00 0.00 H new ATOM 0 HB2 ASN A 183 19.738 -11.744 -4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 183 19.350 -13.319 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 183 20.224 -11.083 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 183 18.987 -11.145 -1.769 1.00 0.00 H new ATOM 708 N HIS A 184 20.232 -12.951 -6.602 1.00 0.00 N ATOM 709 CA HIS A 184 19.627 -13.376 -7.855 1.00 0.00 C ATOM 710 C HIS A 184 20.545 -14.349 -8.591 1.00 0.00 C ATOM 711 O HIS A 184 20.114 -15.435 -8.980 1.00 0.00 O ATOM 712 CB HIS A 184 19.346 -12.148 -8.724 1.00 0.00 C ATOM 713 CG HIS A 184 19.083 -12.507 -10.164 1.00 0.00 C ATOM 714 ND1 HIS A 184 18.050 -13.353 -10.553 1.00 0.00 N ATOM 715 CD2 HIS A 184 19.710 -12.156 -11.333 1.00 0.00 C ATOM 716 CE1 HIS A 184 18.116 -13.452 -11.897 1.00 0.00 C ATOM 717 NE2 HIS A 184 19.110 -12.746 -12.433 1.00 0.00 N ATOM 0 H HIS A 184 20.306 -11.939 -6.498 1.00 0.00 H new ATOM 0 HA HIS A 184 18.690 -13.890 -7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 184 18.485 -11.613 -8.323 1.00 0.00 H new ATOM 0 HB3 HIS A 184 20.196 -11.468 -8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 184 20.566 -11.500 -11.388 1.00 0.00 H new ATOM 0 HE1 HIS A 184 17.429 -14.046 -12.482 1.00 0.00 H new ATOM 0 HE2 HIS A 184 19.367 -12.660 -13.416 1.00 0.00 H new ATOM 725 N TRP A 185 21.805 -13.956 -8.793 1.00 0.00 N ATOM 726 CA TRP A 185 22.753 -14.785 -9.509 1.00 0.00 C ATOM 727 C TRP A 185 22.957 -16.105 -8.772 1.00 0.00 C ATOM 728 O TRP A 185 22.851 -17.168 -9.376 1.00 0.00 O ATOM 729 CB TRP A 185 24.081 -14.045 -9.675 1.00 0.00 C ATOM 730 CG TRP A 185 25.109 -14.807 -10.458 1.00 0.00 C ATOM 731 CD1 TRP A 185 25.836 -15.835 -9.996 1.00 0.00 C ATOM 732 CD2 TRP A 185 25.533 -14.633 -11.844 1.00 0.00 C ATOM 733 NE1 TRP A 185 26.679 -16.323 -10.961 1.00 0.00 N ATOM 734 CE2 TRP A 185 26.538 -15.611 -12.136 1.00 0.00 C ATOM 735 CE3 TRP A 185 25.175 -13.756 -12.890 1.00 0.00 C ATOM 736 CZ2 TRP A 185 27.152 -15.704 -13.388 1.00 0.00 C ATOM 737 CZ3 TRP A 185 25.794 -13.845 -14.155 1.00 0.00 C ATOM 738 CH2 TRP A 185 26.780 -14.816 -14.402 1.00 0.00 C ATOM 0 H TRP A 185 22.184 -13.067 -8.467 1.00 0.00 H new ATOM 0 HA TRP A 185 22.356 -15.003 -10.501 1.00 0.00 H new ATOM 0 HB2 TRP A 185 23.895 -13.092 -10.170 1.00 0.00 H new ATOM 0 HB3 TRP A 185 24.485 -13.818 -8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 185 25.766 -16.228 -8.992 1.00 0.00 H new ATOM 0 HE1 TRP A 185 27.322 -17.104 -10.829 1.00 0.00 H new ATOM 0 HE3 TRP A 185 24.417 -13.006 -12.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 185 27.907 -16.455 -13.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 185 25.508 -13.161 -14.940 1.00 0.00 H new ATOM 0 HH2 TRP A 185 27.249 -14.876 -15.373 1.00 0.00 H new ATOM 749 N ASN A 186 23.252 -16.041 -7.469 1.00 0.00 N ATOM 750 CA ASN A 186 23.485 -17.239 -6.669 1.00 0.00 C ATOM 751 C ASN A 186 22.147 -17.852 -6.249 1.00 0.00 C ATOM 752 O ASN A 186 21.916 -18.104 -5.068 1.00 0.00 O ATOM 753 CB ASN A 186 24.340 -16.883 -5.448 1.00 0.00 C ATOM 754 CG ASN A 186 25.755 -16.494 -5.870 1.00 0.00 C ATOM 755 OD1 ASN A 186 26.647 -17.337 -5.906 1.00 0.00 O ATOM 756 ND2 ASN A 186 25.959 -15.217 -6.192 1.00 0.00 N ATOM 0 H ASN A 186 23.334 -15.168 -6.949 1.00 0.00 H new ATOM 0 HA ASN A 186 24.024 -17.978 -7.261 1.00 0.00 H new ATOM 0 HB2 ASN A 186 23.879 -16.059 -4.904 1.00 0.00 H new ATOM 0 HB3 ASN A 186 24.380 -17.733 -4.766 1.00 0.00 H new ATOM 0 HD21 ASN A 186 26.886 -14.906 -6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 186 25.188 -14.550 -6.148 1.00 0.00 H new ATOM 763 N SER A 187 21.272 -18.096 -7.230 1.00 0.00 N ATOM 764 CA SER A 187 19.968 -18.686 -6.991 1.00 0.00 C ATOM 765 C SER A 187 19.364 -19.116 -8.325 1.00 0.00 C ATOM 766 O SER A 187 19.063 -20.291 -8.522 1.00 0.00 O ATOM 767 CB SER A 187 19.060 -17.670 -6.283 1.00 0.00 C ATOM 768 OG SER A 187 17.784 -18.237 -6.074 1.00 0.00 O ATOM 0 H SER A 187 21.457 -17.886 -8.211 1.00 0.00 H new ATOM 0 HA SER A 187 20.066 -19.561 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 187 19.499 -17.378 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 187 18.972 -16.765 -6.884 1.00 0.00 H new ATOM 0 HG SER A 187 17.207 -17.587 -5.621 1.00 0.00 H new ATOM 774 N THR A 188 19.188 -18.152 -9.238 1.00 0.00 N ATOM 775 CA THR A 188 18.596 -18.408 -10.541 1.00 0.00 C ATOM 776 C THR A 188 19.677 -18.765 -11.564 1.00 0.00 C ATOM 777 O THR A 188 19.539 -19.748 -12.288 1.00 0.00 O ATOM 778 CB THR A 188 17.819 -17.162 -10.987 1.00 0.00 C ATOM 779 OG1 THR A 188 16.928 -16.772 -9.962 1.00 0.00 O ATOM 780 CG2 THR A 188 17.025 -17.471 -12.260 1.00 0.00 C ATOM 0 H THR A 188 19.454 -17.179 -9.087 1.00 0.00 H new ATOM 0 HA THR A 188 17.914 -19.256 -10.470 1.00 0.00 H new ATOM 0 HB THR A 188 18.523 -16.354 -11.190 1.00 0.00 H new ATOM 0 HG1 THR A 188 16.432 -15.975 -10.245 1.00 0.00 H new ATOM 0 HG21 THR A 188 16.476 -16.582 -12.571 1.00 0.00 H new ATOM 0 HG22 THR A 188 17.711 -17.770 -13.053 1.00 0.00 H new ATOM 0 HG23 THR A 188 16.323 -18.281 -12.063 1.00 0.00 H new ATOM 788 N MET A 189 20.747 -17.959 -11.631 1.00 0.00 N ATOM 789 CA MET A 189 21.814 -18.176 -12.600 1.00 0.00 C ATOM 790 C MET A 189 22.703 -19.338 -12.158 1.00 0.00 C ATOM 791 O MET A 189 22.551 -20.452 -12.653 1.00 0.00 O ATOM 792 CB MET A 189 22.639 -16.891 -12.760 1.00 0.00 C ATOM 793 CG MET A 189 21.782 -15.790 -13.397 1.00 0.00 C ATOM 794 SD MET A 189 21.605 -15.941 -15.193 1.00 0.00 S ATOM 795 CE MET A 189 23.241 -15.348 -15.688 1.00 0.00 C ATOM 0 H MET A 189 20.890 -17.153 -11.023 1.00 0.00 H new ATOM 0 HA MET A 189 21.375 -18.432 -13.564 1.00 0.00 H new ATOM 0 HB2 MET A 189 23.005 -16.561 -11.788 1.00 0.00 H new ATOM 0 HB3 MET A 189 23.514 -17.086 -13.380 1.00 0.00 H new ATOM 0 HG2 MET A 189 20.792 -15.806 -12.942 1.00 0.00 H new ATOM 0 HG3 MET A 189 22.224 -14.821 -13.166 1.00 0.00 H new ATOM 0 HE1 MET A 189 23.389 -15.533 -16.752 1.00 0.00 H new ATOM 0 HE2 MET A 189 23.315 -14.278 -15.492 1.00 0.00 H new ATOM 0 HE3 MET A 189 24.007 -15.875 -15.118 1.00 0.00 H new ATOM 805 N ARG A 190 23.634 -19.067 -11.231 1.00 0.00 N ATOM 806 CA ARG A 190 24.576 -20.068 -10.738 1.00 0.00 C ATOM 807 C ARG A 190 25.351 -20.675 -11.910 1.00 0.00 C ATOM 808 O ARG A 190 25.509 -21.892 -11.991 1.00 0.00 O ATOM 809 CB ARG A 190 23.827 -21.147 -9.942 1.00 0.00 C ATOM 810 CG ARG A 190 23.164 -20.512 -8.717 1.00 0.00 C ATOM 811 CD ARG A 190 22.261 -21.534 -8.023 1.00 0.00 C ATOM 812 NE ARG A 190 23.033 -22.690 -7.552 1.00 0.00 N ATOM 813 CZ ARG A 190 22.464 -23.759 -6.971 1.00 0.00 C ATOM 814 NH1 ARG A 190 21.137 -23.800 -6.788 1.00 0.00 N ATOM 815 NH2 ARG A 190 23.226 -24.787 -6.573 1.00 0.00 N ATOM 0 H ARG A 190 23.750 -18.147 -10.806 1.00 0.00 H new ATOM 0 HA ARG A 190 25.293 -19.594 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 190 23.074 -21.621 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 190 24.519 -21.929 -9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 190 23.926 -20.158 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 190 22.579 -19.643 -9.019 1.00 0.00 H new ATOM 0 HD2 ARG A 190 21.755 -21.063 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 190 21.487 -21.867 -8.714 1.00 0.00 H new ATOM 0 HE ARG A 190 24.046 -22.681 -7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 190 20.556 -23.018 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 190 20.708 -24.613 -6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 190 24.236 -24.757 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 190 22.796 -25.600 -6.132 1.00 0.00 H new