USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 459 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 Single : A 146 TYR OH : rot -75:sc= 0.509 USER MOD Single : A 151 GLN : amide:sc= -0.782 K(o=-0.78,f=-4.1!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= -2.55! USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl -155:sc= 0 (180deg=-0.0049) USER MOD Single : A 196 SER OG : rot 180:sc= 0 USER MOD Single : A 201 ASN :FLIP amide:sc= -4.74! C(o=-9.7!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.683 -3.150 -6.359 1.00 0.00 N ATOM 41 CA TYR A 146 4.297 -3.494 -5.940 1.00 0.00 C ATOM 42 C TYR A 146 3.346 -2.363 -6.338 1.00 0.00 C ATOM 43 O TYR A 146 3.760 -1.245 -6.571 1.00 0.00 O ATOM 44 CB TYR A 146 4.260 -3.690 -4.423 1.00 0.00 C ATOM 45 CG TYR A 146 4.984 -4.962 -4.066 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.669 -6.151 -4.731 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.968 -4.954 -3.067 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.334 -7.336 -4.400 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.634 -6.140 -2.735 1.00 0.00 C ATOM 50 CZ TYR A 146 6.318 -7.332 -3.401 1.00 0.00 C ATOM 51 OH TYR A 146 6.974 -8.500 -3.073 1.00 0.00 O ATOM 0 HA TYR A 146 3.985 -4.415 -6.432 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.726 -2.841 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.228 -3.736 -4.076 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.912 -6.154 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.212 -4.035 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.090 -8.254 -4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.392 -6.136 -1.965 1.00 0.00 H new ATOM 0 HH TYR A 146 6.378 -9.074 -2.548 1.00 0.00 H new ATOM 61 N ARG A 147 2.075 -2.646 -6.422 1.00 0.00 N ATOM 62 CA ARG A 147 1.099 -1.590 -6.810 1.00 0.00 C ATOM 63 C ARG A 147 0.754 -0.734 -5.590 1.00 0.00 C ATOM 64 O ARG A 147 -0.157 -1.037 -4.846 1.00 0.00 O ATOM 65 CB ARG A 147 -0.174 -2.247 -7.347 1.00 0.00 C ATOM 66 CG ARG A 147 0.178 -3.154 -8.527 1.00 0.00 C ATOM 67 CD ARG A 147 -0.062 -2.401 -9.837 1.00 0.00 C ATOM 68 NE ARG A 147 -1.178 -3.049 -10.581 1.00 0.00 N ATOM 69 CZ ARG A 147 -2.219 -2.349 -10.936 1.00 0.00 C ATOM 70 NH1 ARG A 147 -3.087 -1.972 -10.039 1.00 0.00 N ATOM 71 NH2 ARG A 147 -2.391 -2.026 -12.188 1.00 0.00 N ATOM 0 H ARG A 147 1.670 -3.564 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 147 1.538 -0.958 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.656 -2.827 -6.560 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.885 -1.483 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 147 1.220 -3.467 -8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.429 -4.059 -8.498 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.304 -1.358 -9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.844 -2.404 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.128 -4.041 -10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.951 -2.225 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.902 -1.424 -10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.711 -2.321 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -3.205 -1.478 -12.466 1.00 0.00 H new ATOM 85 N GLY A 148 1.474 0.334 -5.378 1.00 0.00 N ATOM 86 CA GLY A 148 1.183 1.208 -4.206 1.00 0.00 C ATOM 87 C GLY A 148 2.419 1.289 -3.306 1.00 0.00 C ATOM 88 O GLY A 148 2.392 1.901 -2.258 1.00 0.00 O ATOM 0 H GLY A 148 2.250 0.639 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.901 2.205 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.337 0.811 -3.645 1.00 0.00 H new ATOM 92 N VAL A 149 3.502 0.679 -3.705 1.00 0.00 N ATOM 93 CA VAL A 149 4.733 0.729 -2.865 1.00 0.00 C ATOM 94 C VAL A 149 5.814 1.536 -3.585 1.00 0.00 C ATOM 95 O VAL A 149 6.376 1.100 -4.570 1.00 0.00 O ATOM 96 CB VAL A 149 5.246 -0.692 -2.620 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.531 -0.637 -1.791 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.189 -1.495 -1.859 1.00 0.00 C ATOM 0 H VAL A 149 3.588 0.150 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 149 4.497 1.202 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 149 5.449 -1.171 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.895 -1.649 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.288 -0.067 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.327 -0.156 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.556 -2.507 -1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.985 -1.014 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.272 -1.538 -2.446 1.00 0.00 H new ATOM 108 N ARG A 150 6.117 2.707 -3.098 1.00 0.00 N ATOM 109 CA ARG A 150 7.169 3.532 -3.752 1.00 0.00 C ATOM 110 C ARG A 150 8.535 3.105 -3.214 1.00 0.00 C ATOM 111 O ARG A 150 8.832 3.274 -2.049 1.00 0.00 O ATOM 112 CB ARG A 150 6.933 5.010 -3.437 1.00 0.00 C ATOM 113 CG ARG A 150 5.623 5.467 -4.085 1.00 0.00 C ATOM 114 CD ARG A 150 5.596 6.993 -4.162 1.00 0.00 C ATOM 115 NE ARG A 150 5.972 7.562 -2.838 1.00 0.00 N ATOM 116 CZ ARG A 150 6.471 8.766 -2.763 1.00 0.00 C ATOM 117 NH1 ARG A 150 5.676 9.800 -2.696 1.00 0.00 N ATOM 118 NH2 ARG A 150 7.764 8.935 -2.756 1.00 0.00 N ATOM 0 H ARG A 150 5.682 3.127 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 150 7.134 3.388 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.889 5.161 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.764 5.609 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.531 5.040 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.773 5.107 -3.505 1.00 0.00 H new ATOM 0 HD2 ARG A 150 6.287 7.342 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 150 4.602 7.336 -4.449 1.00 0.00 H new ATOM 0 HE ARG A 150 5.840 7.011 -1.990 1.00 0.00 H new ATOM 0 HH11 ARG A 150 4.665 9.667 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 150 6.066 10.741 -2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 150 8.384 8.127 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.155 9.875 -2.697 1.00 0.00 H new ATOM 132 N GLN A 151 9.364 2.541 -4.047 1.00 0.00 N ATOM 133 CA GLN A 151 10.701 2.093 -3.570 1.00 0.00 C ATOM 134 C GLN A 151 11.734 3.202 -3.770 1.00 0.00 C ATOM 135 O GLN A 151 11.853 3.775 -4.835 1.00 0.00 O ATOM 136 CB GLN A 151 11.139 0.856 -4.353 1.00 0.00 C ATOM 137 CG GLN A 151 11.362 1.233 -5.821 1.00 0.00 C ATOM 138 CD GLN A 151 12.862 1.275 -6.115 1.00 0.00 C ATOM 139 OE1 GLN A 151 13.653 0.721 -5.377 1.00 0.00 O ATOM 140 NE2 GLN A 151 13.290 1.913 -7.170 1.00 0.00 N ATOM 0 H GLN A 151 9.174 2.371 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 151 10.630 1.854 -2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 151 12.056 0.449 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.380 0.077 -4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.873 0.508 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.912 2.204 -6.031 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.626 2.378 -7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 151 14.289 1.947 -7.375 1.00 0.00 H new ATOM 149 N ARG A 152 12.496 3.490 -2.753 1.00 0.00 N ATOM 150 CA ARG A 152 13.544 4.540 -2.871 1.00 0.00 C ATOM 151 C ARG A 152 14.751 3.930 -3.592 1.00 0.00 C ATOM 152 O ARG A 152 14.702 2.784 -3.994 1.00 0.00 O ATOM 153 CB ARG A 152 13.944 5.000 -1.466 1.00 0.00 C ATOM 154 CG ARG A 152 13.715 6.507 -1.333 1.00 0.00 C ATOM 155 CD ARG A 152 12.489 6.762 -0.453 1.00 0.00 C ATOM 156 NE ARG A 152 12.871 7.632 0.695 1.00 0.00 N ATOM 157 CZ ARG A 152 12.050 7.785 1.697 1.00 0.00 C ATOM 158 NH1 ARG A 152 10.834 8.208 1.486 1.00 0.00 N ATOM 159 NH2 ARG A 152 12.445 7.518 2.912 1.00 0.00 N ATOM 0 H ARG A 152 12.437 3.040 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 152 13.176 5.398 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 152 13.359 4.466 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 152 14.992 4.764 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 152 14.594 6.982 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 152 13.568 6.951 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 152 11.702 7.238 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 152 12.087 5.817 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 152 13.773 8.107 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 152 10.525 8.419 0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 152 10.192 8.327 2.270 1.00 0.00 H new ATOM 0 HH21 ARG A 152 13.396 7.190 3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 152 11.802 7.638 3.695 1.00 0.00 H new ATOM 173 N PRO A 153 15.801 4.696 -3.739 1.00 0.00 N ATOM 174 CA PRO A 153 17.019 4.222 -4.414 1.00 0.00 C ATOM 175 C PRO A 153 17.809 3.303 -3.479 1.00 0.00 C ATOM 176 O PRO A 153 18.807 3.689 -2.906 1.00 0.00 O ATOM 177 CB PRO A 153 17.787 5.509 -4.724 1.00 0.00 C ATOM 178 CG PRO A 153 17.257 6.580 -3.741 1.00 0.00 C ATOM 179 CD PRO A 153 15.881 6.089 -3.253 1.00 0.00 C ATOM 0 HA PRO A 153 16.822 3.638 -5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 153 18.859 5.362 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 153 17.628 5.817 -5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 153 17.942 6.709 -2.903 1.00 0.00 H new ATOM 0 HG3 PRO A 153 17.170 7.549 -4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.803 6.137 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 153 15.074 6.699 -3.658 1.00 0.00 H new ATOM 187 N TRP A 154 17.357 2.086 -3.319 1.00 0.00 N ATOM 188 CA TRP A 154 18.066 1.134 -2.418 1.00 0.00 C ATOM 189 C TRP A 154 18.061 1.692 -0.995 1.00 0.00 C ATOM 190 O TRP A 154 19.082 2.094 -0.475 1.00 0.00 O ATOM 191 CB TRP A 154 19.511 0.958 -2.893 1.00 0.00 C ATOM 192 CG TRP A 154 19.902 -0.483 -2.784 1.00 0.00 C ATOM 193 CD1 TRP A 154 19.691 -1.267 -1.701 1.00 0.00 C ATOM 194 CD2 TRP A 154 20.567 -1.321 -3.772 1.00 0.00 C ATOM 195 NE1 TRP A 154 20.185 -2.532 -1.961 1.00 0.00 N ATOM 196 CE2 TRP A 154 20.735 -2.616 -3.225 1.00 0.00 C ATOM 197 CE3 TRP A 154 21.038 -1.086 -5.078 1.00 0.00 C ATOM 198 CZ2 TRP A 154 21.348 -3.641 -3.948 1.00 0.00 C ATOM 199 CZ3 TRP A 154 21.655 -2.115 -5.809 1.00 0.00 C ATOM 200 CH2 TRP A 154 21.809 -3.391 -5.245 1.00 0.00 C ATOM 0 H TRP A 154 16.525 1.711 -3.775 1.00 0.00 H new ATOM 0 HA TRP A 154 17.561 0.168 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 154 19.609 1.295 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 154 20.180 1.574 -2.292 1.00 0.00 H new ATOM 0 HD1 TRP A 154 19.214 -0.955 -0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 154 20.148 -3.308 -1.300 1.00 0.00 H new ATOM 0 HE3 TRP A 154 20.924 -0.108 -5.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 21.466 -4.621 -3.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 22.013 -1.923 -6.810 1.00 0.00 H new ATOM 0 HH2 TRP A 154 22.283 -4.179 -5.812 1.00 0.00 H new ATOM 211 N GLY A 155 16.919 1.728 -0.359 1.00 0.00 N ATOM 212 CA GLY A 155 16.868 2.271 1.027 1.00 0.00 C ATOM 213 C GLY A 155 15.535 1.919 1.692 1.00 0.00 C ATOM 214 O GLY A 155 15.389 0.874 2.294 1.00 0.00 O ATOM 0 H GLY A 155 16.028 1.407 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 155 17.692 1.865 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 155 16.995 3.353 1.005 1.00 0.00 H new ATOM 218 N LYS A 156 14.568 2.791 1.607 1.00 0.00 N ATOM 219 CA LYS A 156 13.255 2.513 2.259 1.00 0.00 C ATOM 220 C LYS A 156 12.160 2.329 1.208 1.00 0.00 C ATOM 221 O LYS A 156 12.416 2.269 0.024 1.00 0.00 O ATOM 222 CB LYS A 156 12.876 3.694 3.150 1.00 0.00 C ATOM 223 CG LYS A 156 13.934 3.879 4.239 1.00 0.00 C ATOM 224 CD LYS A 156 13.287 4.517 5.471 1.00 0.00 C ATOM 225 CE LYS A 156 14.374 5.102 6.374 1.00 0.00 C ATOM 226 NZ LYS A 156 14.375 6.587 6.250 1.00 0.00 N ATOM 0 H LYS A 156 14.629 3.683 1.115 1.00 0.00 H new ATOM 0 HA LYS A 156 13.347 1.600 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 156 12.794 4.601 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 156 11.900 3.521 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.373 2.917 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.744 4.510 3.872 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.593 5.300 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 156 12.708 3.773 6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 156 14.196 4.813 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 156 15.349 4.702 6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 15.114 6.986 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 14.564 6.853 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.448 6.960 6.537 1.00 0.00 H new ATOM 240 N PHE A 157 10.934 2.252 1.651 1.00 0.00 N ATOM 241 CA PHE A 157 9.789 2.088 0.714 1.00 0.00 C ATOM 242 C PHE A 157 8.603 2.875 1.272 1.00 0.00 C ATOM 243 O PHE A 157 8.703 3.503 2.307 1.00 0.00 O ATOM 244 CB PHE A 157 9.412 0.607 0.604 1.00 0.00 C ATOM 245 CG PHE A 157 10.477 -0.136 -0.162 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.736 -0.347 0.413 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.204 -0.619 -1.450 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.723 -1.040 -0.297 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.193 -1.313 -2.160 1.00 0.00 C ATOM 250 CZ PHE A 157 12.452 -1.524 -1.584 1.00 0.00 C ATOM 0 H PHE A 157 10.675 2.297 2.637 1.00 0.00 H new ATOM 0 HA PHE A 157 10.060 2.455 -0.276 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.299 0.176 1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.450 0.504 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.946 0.025 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.233 -0.456 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.694 -1.202 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.984 -1.685 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.214 -2.059 -2.131 1.00 0.00 H new ATOM 260 N ALA A 158 7.480 2.851 0.611 1.00 0.00 N ATOM 261 CA ALA A 158 6.308 3.607 1.138 1.00 0.00 C ATOM 262 C ALA A 158 5.010 2.903 0.747 1.00 0.00 C ATOM 263 O ALA A 158 4.629 2.873 -0.407 1.00 0.00 O ATOM 264 CB ALA A 158 6.304 5.021 0.561 1.00 0.00 C ATOM 0 H ALA A 158 7.322 2.347 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 158 6.381 3.653 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.446 5.570 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.222 5.534 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.241 4.970 -0.526 1.00 0.00 H new ATOM 270 N ALA A 159 4.321 2.351 1.705 1.00 0.00 N ATOM 271 CA ALA A 159 3.037 1.665 1.398 1.00 0.00 C ATOM 272 C ALA A 159 1.906 2.693 1.457 1.00 0.00 C ATOM 273 O ALA A 159 1.649 3.285 2.484 1.00 0.00 O ATOM 274 CB ALA A 159 2.789 0.565 2.432 1.00 0.00 C ATOM 0 H ALA A 159 4.592 2.345 2.688 1.00 0.00 H new ATOM 0 HA ALA A 159 3.079 1.218 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.849 0.061 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.605 -0.157 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.737 1.006 3.427 1.00 0.00 H new ATOM 280 N GLU A 160 1.230 2.913 0.363 1.00 0.00 N ATOM 281 CA GLU A 160 0.118 3.907 0.361 1.00 0.00 C ATOM 282 C GLU A 160 -1.093 3.306 -0.354 1.00 0.00 C ATOM 283 O GLU A 160 -1.155 2.117 -0.591 1.00 0.00 O ATOM 284 CB GLU A 160 0.560 5.178 -0.370 1.00 0.00 C ATOM 285 CG GLU A 160 1.967 5.575 0.082 1.00 0.00 C ATOM 286 CD GLU A 160 2.719 6.201 -1.092 1.00 0.00 C ATOM 287 OE1 GLU A 160 3.260 5.453 -1.889 1.00 0.00 O ATOM 288 OE2 GLU A 160 2.741 7.418 -1.176 1.00 0.00 O ATOM 0 H GLU A 160 1.399 2.448 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.146 4.157 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 160 0.548 5.012 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 160 -0.140 5.988 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.909 6.282 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.504 4.700 0.447 1.00 0.00 H new ATOM 295 N ILE A 161 -2.056 4.116 -0.702 1.00 0.00 N ATOM 296 CA ILE A 161 -3.258 3.584 -1.404 1.00 0.00 C ATOM 297 C ILE A 161 -4.288 4.702 -1.581 1.00 0.00 C ATOM 298 O ILE A 161 -4.522 5.490 -0.685 1.00 0.00 O ATOM 299 CB ILE A 161 -3.874 2.453 -0.579 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.180 2.000 -1.234 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.163 2.953 0.838 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.911 1.027 -0.305 1.00 0.00 C ATOM 0 H ILE A 161 -2.062 5.121 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.964 3.204 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.178 1.615 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.812 2.863 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.971 1.519 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.602 2.147 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.234 3.279 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.859 3.790 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.841 0.706 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.280 0.158 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.133 1.523 0.640 1.00 0.00 H new ATOM 314 N ARG A 162 -4.909 4.776 -2.727 1.00 0.00 N ATOM 315 CA ARG A 162 -5.926 5.840 -2.959 1.00 0.00 C ATOM 316 C ARG A 162 -7.214 5.477 -2.217 1.00 0.00 C ATOM 317 O ARG A 162 -7.705 4.371 -2.315 1.00 0.00 O ATOM 318 CB ARG A 162 -6.214 5.958 -4.458 1.00 0.00 C ATOM 319 CG ARG A 162 -6.823 4.649 -4.967 1.00 0.00 C ATOM 320 CD ARG A 162 -6.534 4.496 -6.461 1.00 0.00 C ATOM 321 NE ARG A 162 -7.786 4.110 -7.173 1.00 0.00 N ATOM 322 CZ ARG A 162 -7.774 3.937 -8.466 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.988 4.662 -9.216 1.00 0.00 N ATOM 324 NH2 ARG A 162 -8.548 3.039 -9.012 1.00 0.00 N ATOM 0 H ARG A 162 -4.755 4.145 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.547 6.793 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -6.898 6.786 -4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -5.294 6.178 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -6.407 3.805 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -7.899 4.644 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -6.147 5.431 -6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.766 3.739 -6.618 1.00 0.00 H new ATOM 0 HE ARG A 162 -8.652 3.981 -6.649 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.383 5.364 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.979 4.526 -10.227 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -9.163 2.472 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -8.538 2.904 -10.023 1.00 0.00 H new ATOM 338 N ASP A 163 -7.763 6.398 -1.475 1.00 0.00 N ATOM 339 CA ASP A 163 -9.017 6.099 -0.727 1.00 0.00 C ATOM 340 C ASP A 163 -10.203 6.792 -1.413 1.00 0.00 C ATOM 341 O ASP A 163 -10.294 8.004 -1.404 1.00 0.00 O ATOM 342 CB ASP A 163 -8.889 6.618 0.705 1.00 0.00 C ATOM 343 CG ASP A 163 -9.944 5.946 1.585 1.00 0.00 C ATOM 344 OD1 ASP A 163 -10.903 5.430 1.034 1.00 0.00 O ATOM 345 OD2 ASP A 163 -9.776 5.957 2.792 1.00 0.00 O ATOM 0 H ASP A 163 -7.399 7.343 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.183 5.022 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.891 6.410 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.019 7.700 0.724 1.00 0.00 H new ATOM 350 N PRO A 164 -11.079 6.004 -1.988 1.00 0.00 N ATOM 351 CA PRO A 164 -12.271 6.520 -2.685 1.00 0.00 C ATOM 352 C PRO A 164 -13.350 6.914 -1.672 1.00 0.00 C ATOM 353 O PRO A 164 -14.158 7.787 -1.918 1.00 0.00 O ATOM 354 CB PRO A 164 -12.730 5.334 -3.538 1.00 0.00 C ATOM 355 CG PRO A 164 -12.146 4.066 -2.871 1.00 0.00 C ATOM 356 CD PRO A 164 -10.965 4.531 -2.000 1.00 0.00 C ATOM 0 HA PRO A 164 -12.070 7.412 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -13.818 5.284 -3.581 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -12.375 5.432 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.901 3.565 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -11.814 3.350 -3.623 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -11.027 4.119 -0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -10.011 4.209 -2.418 1.00 0.00 H new ATOM 364 N ALA A 165 -13.369 6.273 -0.536 1.00 0.00 N ATOM 365 CA ALA A 165 -14.392 6.603 0.492 1.00 0.00 C ATOM 366 C ALA A 165 -14.073 7.963 1.115 1.00 0.00 C ATOM 367 O ALA A 165 -14.861 8.516 1.857 1.00 0.00 O ATOM 368 CB ALA A 165 -14.386 5.530 1.581 1.00 0.00 C ATOM 0 H ALA A 165 -12.717 5.533 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.376 6.641 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.136 5.772 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.616 4.561 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -13.402 5.491 2.048 1.00 0.00 H new ATOM 374 N LYS A 166 -12.922 8.505 0.825 1.00 0.00 N ATOM 375 CA LYS A 166 -12.555 9.827 1.406 1.00 0.00 C ATOM 376 C LYS A 166 -12.685 10.912 0.335 1.00 0.00 C ATOM 377 O LYS A 166 -12.041 11.940 0.400 1.00 0.00 O ATOM 378 CB LYS A 166 -11.112 9.777 1.912 1.00 0.00 C ATOM 379 CG LYS A 166 -10.996 8.732 3.024 1.00 0.00 C ATOM 380 CD LYS A 166 -11.397 9.361 4.360 1.00 0.00 C ATOM 381 CE LYS A 166 -12.867 9.044 4.653 1.00 0.00 C ATOM 382 NZ LYS A 166 -13.019 8.677 6.090 1.00 0.00 N ATOM 0 H LYS A 166 -12.221 8.090 0.212 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.224 10.057 2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.437 9.528 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -10.813 10.756 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -11.638 7.879 2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -9.974 8.356 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -10.764 8.976 5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -11.246 10.440 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -13.490 9.907 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -13.207 8.225 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -14.017 8.462 6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -12.436 7.841 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -12.710 9.472 6.686 1.00 0.00 H new ATOM 396 N ASN A 167 -13.515 10.694 -0.648 1.00 0.00 N ATOM 397 CA ASN A 167 -13.689 11.716 -1.720 1.00 0.00 C ATOM 398 C ASN A 167 -12.494 11.669 -2.674 1.00 0.00 C ATOM 399 O ASN A 167 -12.076 12.677 -3.211 1.00 0.00 O ATOM 400 CB ASN A 167 -13.782 13.107 -1.088 1.00 0.00 C ATOM 401 CG ASN A 167 -14.946 13.879 -1.711 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.940 14.130 -1.060 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.865 14.270 -2.954 1.00 0.00 N ATOM 0 H ASN A 167 -14.081 9.852 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 167 -14.603 11.506 -2.275 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.926 13.019 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.849 13.650 -1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.636 14.786 -3.378 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -14.030 14.060 -3.501 1.00 0.00 H new ATOM 410 N GLY A 168 -11.940 10.508 -2.894 1.00 0.00 N ATOM 411 CA GLY A 168 -10.774 10.404 -3.817 1.00 0.00 C ATOM 412 C GLY A 168 -9.590 11.182 -3.241 1.00 0.00 C ATOM 413 O GLY A 168 -9.380 12.335 -3.559 1.00 0.00 O ATOM 0 H GLY A 168 -12.243 9.629 -2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -10.501 9.358 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -11.038 10.799 -4.798 1.00 0.00 H new ATOM 417 N ALA A 169 -8.813 10.560 -2.396 1.00 0.00 N ATOM 418 CA ALA A 169 -7.641 11.264 -1.803 1.00 0.00 C ATOM 419 C ALA A 169 -6.451 10.303 -1.736 1.00 0.00 C ATOM 420 O ALA A 169 -6.476 9.232 -2.309 1.00 0.00 O ATOM 421 CB ALA A 169 -7.994 11.744 -0.395 1.00 0.00 C ATOM 0 H ALA A 169 -8.939 9.595 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.379 12.122 -2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -7.137 12.259 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -8.841 12.428 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.256 10.888 0.226 1.00 0.00 H new ATOM 427 N ARG A 170 -5.409 10.677 -1.045 1.00 0.00 N ATOM 428 CA ARG A 170 -4.219 9.784 -0.947 1.00 0.00 C ATOM 429 C ARG A 170 -4.069 9.276 0.490 1.00 0.00 C ATOM 430 O ARG A 170 -4.347 9.980 1.440 1.00 0.00 O ATOM 431 CB ARG A 170 -2.962 10.564 -1.339 1.00 0.00 C ATOM 432 CG ARG A 170 -2.902 10.711 -2.859 1.00 0.00 C ATOM 433 CD ARG A 170 -1.555 11.317 -3.259 1.00 0.00 C ATOM 434 NE ARG A 170 -1.162 10.808 -4.602 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.996 9.528 -4.791 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.344 8.816 -3.911 1.00 0.00 N ATOM 437 NH2 ARG A 170 -1.485 8.958 -5.858 1.00 0.00 N ATOM 0 H ARG A 170 -5.330 11.562 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.351 8.936 -1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -2.971 11.547 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.073 10.046 -0.978 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.031 9.739 -3.335 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.717 11.347 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.624 12.405 -3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -0.794 11.058 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 170 -1.023 11.460 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 170 0.036 9.261 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 170 -0.215 7.815 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.997 9.513 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 170 -1.356 7.957 -6.006 1.00 0.00 H new ATOM 451 N VAL A 171 -3.622 8.061 0.654 1.00 0.00 N ATOM 452 CA VAL A 171 -3.444 7.508 2.026 1.00 0.00 C ATOM 453 C VAL A 171 -2.030 6.936 2.156 1.00 0.00 C ATOM 454 O VAL A 171 -1.663 6.001 1.471 1.00 0.00 O ATOM 455 CB VAL A 171 -4.475 6.404 2.270 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.085 5.601 3.514 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.851 7.038 2.485 1.00 0.00 C ATOM 0 H VAL A 171 -3.372 7.427 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.586 8.298 2.764 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.507 5.739 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.821 4.815 3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.103 5.152 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.053 6.263 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.589 6.255 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.815 7.702 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.131 7.610 1.600 1.00 0.00 H new ATOM 467 N TRP A 172 -1.230 7.496 3.020 1.00 0.00 N ATOM 468 CA TRP A 172 0.162 6.991 3.182 1.00 0.00 C ATOM 469 C TRP A 172 0.258 6.125 4.442 1.00 0.00 C ATOM 470 O TRP A 172 0.352 6.625 5.546 1.00 0.00 O ATOM 471 CB TRP A 172 1.113 8.183 3.305 1.00 0.00 C ATOM 472 CG TRP A 172 2.524 7.698 3.385 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.040 6.976 4.405 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.607 7.885 2.428 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.372 6.716 4.140 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.766 7.252 2.934 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.695 8.537 1.183 1.00 0.00 C ATOM 478 CZ2 TRP A 172 5.971 7.265 2.234 1.00 0.00 C ATOM 479 CZ3 TRP A 172 4.907 8.551 0.473 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.044 7.917 0.998 1.00 0.00 C ATOM 0 H TRP A 172 -1.480 8.281 3.621 1.00 0.00 H new ATOM 0 HA TRP A 172 0.435 6.388 2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 172 0.994 8.845 2.447 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.868 8.765 4.193 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.500 6.655 5.283 1.00 0.00 H new ATOM 0 HE1 TRP A 172 4.987 6.191 4.762 1.00 0.00 H new ATOM 0 HE3 TRP A 172 2.826 9.029 0.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.842 6.775 2.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 4.964 9.052 -0.482 1.00 0.00 H new ATOM 0 HH2 TRP A 172 6.974 7.932 0.449 1.00 0.00 H new ATOM 491 N LEU A 173 0.241 4.829 4.285 1.00 0.00 N ATOM 492 CA LEU A 173 0.337 3.931 5.472 1.00 0.00 C ATOM 493 C LEU A 173 1.624 4.234 6.238 1.00 0.00 C ATOM 494 O LEU A 173 1.621 4.379 7.443 1.00 0.00 O ATOM 495 CB LEU A 173 0.349 2.469 5.015 1.00 0.00 C ATOM 496 CG LEU A 173 -1.026 2.098 4.458 1.00 0.00 C ATOM 497 CD1 LEU A 173 -0.886 1.662 2.999 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.614 0.948 5.280 1.00 0.00 C ATOM 0 H LEU A 173 0.165 4.353 3.386 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.523 4.100 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 173 1.114 2.321 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.602 1.817 5.851 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.687 2.963 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.866 1.398 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.466 2.480 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.225 0.797 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.594 0.682 4.884 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.952 0.084 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.714 1.258 6.320 1.00 0.00 H new ATOM 510 N GLY A 174 2.728 4.334 5.547 1.00 0.00 N ATOM 511 CA GLY A 174 4.013 4.631 6.241 1.00 0.00 C ATOM 512 C GLY A 174 5.174 4.012 5.463 1.00 0.00 C ATOM 513 O GLY A 174 5.000 3.079 4.705 1.00 0.00 O ATOM 0 H GLY A 174 2.795 4.223 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.152 5.709 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.990 4.234 7.256 1.00 0.00 H new ATOM 517 N THR A 175 6.358 4.529 5.644 1.00 0.00 N ATOM 518 CA THR A 175 7.534 3.977 4.915 1.00 0.00 C ATOM 519 C THR A 175 7.926 2.628 5.520 1.00 0.00 C ATOM 520 O THR A 175 7.691 2.366 6.683 1.00 0.00 O ATOM 521 CB THR A 175 8.716 4.943 5.032 1.00 0.00 C ATOM 522 OG1 THR A 175 9.466 4.628 6.196 1.00 0.00 O ATOM 523 CG2 THR A 175 8.203 6.380 5.125 1.00 0.00 C ATOM 0 H THR A 175 6.562 5.311 6.266 1.00 0.00 H new ATOM 0 HA THR A 175 7.273 3.846 3.865 1.00 0.00 H new ATOM 0 HB THR A 175 9.351 4.847 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.225 5.244 6.273 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.048 7.063 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.629 6.620 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.566 6.483 6.003 1.00 0.00 H new ATOM 531 N PHE A 176 8.526 1.774 4.740 1.00 0.00 N ATOM 532 CA PHE A 176 8.941 0.446 5.268 1.00 0.00 C ATOM 533 C PHE A 176 10.428 0.235 4.983 1.00 0.00 C ATOM 534 O PHE A 176 11.096 1.098 4.452 1.00 0.00 O ATOM 535 CB PHE A 176 8.127 -0.653 4.585 1.00 0.00 C ATOM 536 CG PHE A 176 6.717 -0.615 5.116 1.00 0.00 C ATOM 537 CD1 PHE A 176 5.791 0.293 4.585 1.00 0.00 C ATOM 538 CD2 PHE A 176 6.338 -1.482 6.146 1.00 0.00 C ATOM 539 CE1 PHE A 176 4.484 0.333 5.088 1.00 0.00 C ATOM 540 CE2 PHE A 176 5.032 -1.443 6.647 1.00 0.00 C ATOM 541 CZ PHE A 176 4.104 -0.537 6.120 1.00 0.00 C ATOM 0 H PHE A 176 8.747 1.939 3.758 1.00 0.00 H new ATOM 0 HA PHE A 176 8.765 0.407 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.127 -0.507 3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.576 -1.628 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 176 6.085 0.961 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 176 7.053 -2.181 6.554 1.00 0.00 H new ATOM 0 HE1 PHE A 176 3.770 1.033 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 176 4.739 -2.113 7.442 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.096 -0.508 6.508 1.00 0.00 H new ATOM 551 N GLU A 177 10.950 -0.907 5.330 1.00 0.00 N ATOM 552 CA GLU A 177 12.392 -1.167 5.075 1.00 0.00 C ATOM 553 C GLU A 177 12.555 -1.826 3.705 1.00 0.00 C ATOM 554 O GLU A 177 13.539 -1.625 3.022 1.00 0.00 O ATOM 555 CB GLU A 177 12.941 -2.095 6.159 1.00 0.00 C ATOM 556 CG GLU A 177 14.427 -1.803 6.377 1.00 0.00 C ATOM 557 CD GLU A 177 14.600 -0.943 7.631 1.00 0.00 C ATOM 558 OE1 GLU A 177 14.305 -1.436 8.708 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.025 0.192 7.493 1.00 0.00 O ATOM 0 H GLU A 177 10.442 -1.670 5.778 1.00 0.00 H new ATOM 0 HA GLU A 177 12.941 -0.226 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 177 12.391 -1.951 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.803 -3.136 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.980 -2.736 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 177 14.838 -1.287 5.510 1.00 0.00 H new ATOM 566 N THR A 178 11.596 -2.616 3.294 1.00 0.00 N ATOM 567 CA THR A 178 11.704 -3.287 1.966 1.00 0.00 C ATOM 568 C THR A 178 10.377 -3.155 1.217 1.00 0.00 C ATOM 569 O THR A 178 9.370 -2.765 1.775 1.00 0.00 O ATOM 570 CB THR A 178 12.022 -4.774 2.154 1.00 0.00 C ATOM 571 OG1 THR A 178 10.834 -5.465 2.516 1.00 0.00 O ATOM 572 CG2 THR A 178 13.074 -4.957 3.250 1.00 0.00 C ATOM 0 H THR A 178 10.747 -2.824 3.819 1.00 0.00 H new ATOM 0 HA THR A 178 12.503 -2.813 1.395 1.00 0.00 H new ATOM 0 HB THR A 178 12.414 -5.176 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.033 -6.417 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.290 -6.018 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 178 13.986 -4.431 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.695 -4.553 4.189 1.00 0.00 H new ATOM 580 N ALA A 179 10.369 -3.489 -0.045 1.00 0.00 N ATOM 581 CA ALA A 179 9.111 -3.398 -0.835 1.00 0.00 C ATOM 582 C ALA A 179 8.161 -4.516 -0.407 1.00 0.00 C ATOM 583 O ALA A 179 6.966 -4.433 -0.595 1.00 0.00 O ATOM 584 CB ALA A 179 9.438 -3.556 -2.320 1.00 0.00 C ATOM 0 H ALA A 179 11.182 -3.822 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 179 8.639 -2.431 -0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.520 -3.490 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 179 10.121 -2.765 -2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.906 -4.526 -2.488 1.00 0.00 H new ATOM 590 N GLU A 180 8.688 -5.566 0.160 1.00 0.00 N ATOM 591 CA GLU A 180 7.819 -6.697 0.597 1.00 0.00 C ATOM 592 C GLU A 180 7.065 -6.313 1.871 1.00 0.00 C ATOM 593 O GLU A 180 5.914 -6.657 2.048 1.00 0.00 O ATOM 594 CB GLU A 180 8.686 -7.928 0.871 1.00 0.00 C ATOM 595 CG GLU A 180 7.789 -9.140 1.138 1.00 0.00 C ATOM 596 CD GLU A 180 8.489 -10.087 2.113 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.706 -10.034 2.188 1.00 0.00 O ATOM 598 OE2 GLU A 180 7.798 -10.850 2.767 1.00 0.00 O ATOM 0 H GLU A 180 9.684 -5.691 0.340 1.00 0.00 H new ATOM 0 HA GLU A 180 7.100 -6.922 -0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.336 -8.125 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.333 -7.746 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 180 6.834 -8.815 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.572 -9.658 0.204 1.00 0.00 H new ATOM 605 N ASP A 181 7.700 -5.605 2.761 1.00 0.00 N ATOM 606 CA ASP A 181 7.013 -5.204 4.018 1.00 0.00 C ATOM 607 C ASP A 181 6.041 -4.062 3.720 1.00 0.00 C ATOM 608 O ASP A 181 4.979 -3.971 4.303 1.00 0.00 O ATOM 609 CB ASP A 181 8.049 -4.738 5.045 1.00 0.00 C ATOM 610 CG ASP A 181 9.372 -5.474 4.818 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.340 -6.690 4.713 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.393 -4.811 4.753 1.00 0.00 O ATOM 0 H ASP A 181 8.665 -5.287 2.672 1.00 0.00 H new ATOM 0 HA ASP A 181 6.465 -6.056 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.201 -3.662 4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.685 -4.929 6.055 1.00 0.00 H new ATOM 617 N ALA A 182 6.390 -3.195 2.810 1.00 0.00 N ATOM 618 CA ALA A 182 5.478 -2.065 2.473 1.00 0.00 C ATOM 619 C ALA A 182 4.298 -2.600 1.663 1.00 0.00 C ATOM 620 O ALA A 182 3.180 -2.146 1.801 1.00 0.00 O ATOM 621 CB ALA A 182 6.236 -1.020 1.651 1.00 0.00 C ATOM 0 H ALA A 182 7.265 -3.219 2.286 1.00 0.00 H new ATOM 0 HA ALA A 182 5.113 -1.601 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.567 -0.195 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.080 -0.644 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.602 -1.476 0.731 1.00 0.00 H new ATOM 627 N ALA A 183 4.538 -3.569 0.828 1.00 0.00 N ATOM 628 CA ALA A 183 3.430 -4.145 0.017 1.00 0.00 C ATOM 629 C ALA A 183 2.524 -4.961 0.934 1.00 0.00 C ATOM 630 O ALA A 183 1.314 -4.944 0.807 1.00 0.00 O ATOM 631 CB ALA A 183 4.011 -5.052 -1.068 1.00 0.00 C ATOM 0 H ALA A 183 5.454 -3.988 0.671 1.00 0.00 H new ATOM 0 HA ALA A 183 2.858 -3.345 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.200 -5.474 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.670 -4.471 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.578 -5.859 -0.603 1.00 0.00 H new ATOM 637 N LEU A 184 3.103 -5.669 1.866 1.00 0.00 N ATOM 638 CA LEU A 184 2.285 -6.481 2.806 1.00 0.00 C ATOM 639 C LEU A 184 1.380 -5.546 3.602 1.00 0.00 C ATOM 640 O LEU A 184 0.195 -5.780 3.747 1.00 0.00 O ATOM 641 CB LEU A 184 3.213 -7.240 3.759 1.00 0.00 C ATOM 642 CG LEU A 184 2.923 -8.739 3.670 1.00 0.00 C ATOM 643 CD1 LEU A 184 3.650 -9.468 4.801 1.00 0.00 C ATOM 644 CD2 LEU A 184 1.416 -8.975 3.798 1.00 0.00 C ATOM 0 H LEU A 184 4.111 -5.719 2.016 1.00 0.00 H new ATOM 0 HA LEU A 184 1.677 -7.197 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 184 4.254 -7.045 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.066 -6.891 4.781 1.00 0.00 H new ATOM 0 HG LEU A 184 3.271 -9.120 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 184 3.443 -10.536 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 184 4.723 -9.300 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 184 3.302 -9.088 5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 184 1.208 -10.043 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 184 1.068 -8.594 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 184 0.897 -8.456 2.992 1.00 0.00 H new ATOM 656 N ALA A 185 1.927 -4.475 4.102 1.00 0.00 N ATOM 657 CA ALA A 185 1.097 -3.510 4.871 1.00 0.00 C ATOM 658 C ALA A 185 0.092 -2.872 3.914 1.00 0.00 C ATOM 659 O ALA A 185 -0.999 -2.498 4.297 1.00 0.00 O ATOM 660 CB ALA A 185 1.996 -2.430 5.477 1.00 0.00 C ATOM 0 H ALA A 185 2.912 -4.227 4.011 1.00 0.00 H new ATOM 0 HA ALA A 185 0.571 -4.022 5.677 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.387 -1.723 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.723 -2.894 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.519 -1.903 4.679 1.00 0.00 H new ATOM 666 N TYR A 186 0.453 -2.756 2.665 1.00 0.00 N ATOM 667 CA TYR A 186 -0.478 -2.156 1.671 1.00 0.00 C ATOM 668 C TYR A 186 -1.742 -3.012 1.589 1.00 0.00 C ATOM 669 O TYR A 186 -2.842 -2.504 1.544 1.00 0.00 O ATOM 670 CB TYR A 186 0.193 -2.111 0.297 1.00 0.00 C ATOM 671 CG TYR A 186 -0.834 -1.755 -0.750 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.737 -2.726 -1.202 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.892 -0.453 -1.262 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.695 -2.396 -2.169 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.851 -0.121 -2.228 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.752 -1.093 -2.682 1.00 0.00 C ATOM 677 OH TYR A 186 -3.697 -0.766 -3.633 1.00 0.00 O ATOM 0 H TYR A 186 1.355 -3.052 2.291 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.736 -1.143 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 186 0.998 -1.376 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.643 -3.077 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.694 -3.729 -0.805 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.197 0.296 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.389 -3.145 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.896 0.883 -2.622 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.600 0.177 -3.880 1.00 0.00 H new ATOM 687 N ASP A 187 -1.588 -4.308 1.569 1.00 0.00 N ATOM 688 CA ASP A 187 -2.773 -5.203 1.489 1.00 0.00 C ATOM 689 C ASP A 187 -3.700 -4.933 2.673 1.00 0.00 C ATOM 690 O ASP A 187 -4.903 -4.836 2.527 1.00 0.00 O ATOM 691 CB ASP A 187 -2.301 -6.655 1.532 1.00 0.00 C ATOM 692 CG ASP A 187 -1.490 -6.966 0.274 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.057 -6.029 -0.376 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.315 -8.138 -0.018 1.00 0.00 O ATOM 0 H ASP A 187 -0.687 -4.786 1.605 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.313 -5.017 0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.693 -6.824 2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -3.158 -7.325 1.600 1.00 0.00 H new ATOM 699 N ARG A 188 -3.149 -4.819 3.846 1.00 0.00 N ATOM 700 CA ARG A 188 -3.992 -4.562 5.048 1.00 0.00 C ATOM 701 C ARG A 188 -4.807 -3.283 4.847 1.00 0.00 C ATOM 702 O ARG A 188 -5.884 -3.131 5.390 1.00 0.00 O ATOM 703 CB ARG A 188 -3.096 -4.402 6.278 1.00 0.00 C ATOM 704 CG ARG A 188 -2.351 -5.711 6.544 1.00 0.00 C ATOM 705 CD ARG A 188 -3.268 -6.676 7.295 1.00 0.00 C ATOM 706 NE ARG A 188 -3.840 -7.662 6.337 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.053 -8.303 5.517 1.00 0.00 C ATOM 708 NH1 ARG A 188 -2.038 -8.978 5.982 1.00 0.00 N ATOM 709 NH2 ARG A 188 -3.279 -8.266 4.234 1.00 0.00 N ATOM 0 H ARG A 188 -2.148 -4.893 4.027 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.669 -5.403 5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -2.384 -3.592 6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.697 -4.131 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -2.029 -6.157 5.603 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -1.452 -5.518 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -2.709 -7.193 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -4.069 -6.125 7.788 1.00 0.00 H new ATOM 0 HE ARG A 188 -4.845 -7.836 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -1.860 -9.004 6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -1.422 -9.479 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -4.071 -7.736 3.871 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -2.664 -8.767 3.593 1.00 0.00 H new ATOM 723 N ALA A 189 -4.303 -2.356 4.079 1.00 0.00 N ATOM 724 CA ALA A 189 -5.052 -1.085 3.860 1.00 0.00 C ATOM 725 C ALA A 189 -5.991 -1.225 2.659 1.00 0.00 C ATOM 726 O ALA A 189 -6.996 -0.548 2.568 1.00 0.00 O ATOM 727 CB ALA A 189 -4.062 0.051 3.600 1.00 0.00 C ATOM 0 H ALA A 189 -3.408 -2.423 3.595 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.642 -0.864 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.609 0.980 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.402 0.162 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.469 -0.179 2.715 1.00 0.00 H new ATOM 733 N ALA A 190 -5.682 -2.098 1.741 1.00 0.00 N ATOM 734 CA ALA A 190 -6.570 -2.270 0.558 1.00 0.00 C ATOM 735 C ALA A 190 -7.539 -3.423 0.822 1.00 0.00 C ATOM 736 O ALA A 190 -8.311 -3.807 -0.032 1.00 0.00 O ATOM 737 CB ALA A 190 -5.725 -2.583 -0.680 1.00 0.00 C ATOM 0 H ALA A 190 -4.857 -2.697 1.758 1.00 0.00 H new ATOM 0 HA ALA A 190 -7.131 -1.351 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.378 -2.708 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -5.032 -1.762 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.163 -3.502 -0.514 1.00 0.00 H new ATOM 743 N PHE A 191 -7.512 -3.970 2.007 1.00 0.00 N ATOM 744 CA PHE A 191 -8.438 -5.085 2.334 1.00 0.00 C ATOM 745 C PHE A 191 -9.416 -4.597 3.398 1.00 0.00 C ATOM 746 O PHE A 191 -10.563 -4.999 3.441 1.00 0.00 O ATOM 747 CB PHE A 191 -7.641 -6.278 2.869 1.00 0.00 C ATOM 748 CG PHE A 191 -8.149 -7.549 2.240 1.00 0.00 C ATOM 749 CD1 PHE A 191 -7.931 -7.780 0.879 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.833 -8.494 3.014 1.00 0.00 C ATOM 751 CE1 PHE A 191 -8.396 -8.960 0.286 1.00 0.00 C ATOM 752 CE2 PHE A 191 -9.300 -9.676 2.422 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.082 -9.909 1.057 1.00 0.00 C ATOM 0 H PHE A 191 -6.886 -3.690 2.762 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.980 -5.399 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.582 -6.149 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.735 -6.334 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -7.404 -7.048 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -9.001 -8.313 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -8.226 -9.139 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -9.827 -10.407 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 191 -9.442 -10.819 0.600 1.00 0.00 H new ATOM 763 N ARG A 192 -8.971 -3.710 4.245 1.00 0.00 N ATOM 764 CA ARG A 192 -9.870 -3.164 5.296 1.00 0.00 C ATOM 765 C ARG A 192 -10.674 -2.026 4.681 1.00 0.00 C ATOM 766 O ARG A 192 -11.855 -1.873 4.922 1.00 0.00 O ATOM 767 CB ARG A 192 -9.028 -2.624 6.451 1.00 0.00 C ATOM 768 CG ARG A 192 -8.491 -3.789 7.281 1.00 0.00 C ATOM 769 CD ARG A 192 -8.826 -3.555 8.754 1.00 0.00 C ATOM 770 NE ARG A 192 -8.527 -4.786 9.536 1.00 0.00 N ATOM 771 CZ ARG A 192 -8.359 -4.709 10.827 1.00 0.00 C ATOM 772 NH1 ARG A 192 -7.659 -3.732 11.335 1.00 0.00 N ATOM 773 NH2 ARG A 192 -8.891 -5.606 11.610 1.00 0.00 N ATOM 0 H ARG A 192 -8.021 -3.340 4.253 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.535 -3.941 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.201 -2.028 6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -9.630 -1.965 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -8.931 -4.726 6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -7.412 -3.877 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.246 -2.717 9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -9.878 -3.291 8.861 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.454 -5.687 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -7.244 -3.030 10.723 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -7.527 -3.671 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -9.439 -6.369 11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -8.759 -5.545 12.620 1.00 0.00 H new ATOM 787 N MET A 193 -10.029 -1.230 3.878 1.00 0.00 N ATOM 788 CA MET A 193 -10.723 -0.092 3.218 1.00 0.00 C ATOM 789 C MET A 193 -11.604 -0.627 2.088 1.00 0.00 C ATOM 790 O MET A 193 -12.620 -0.053 1.754 1.00 0.00 O ATOM 791 CB MET A 193 -9.677 0.860 2.635 1.00 0.00 C ATOM 792 CG MET A 193 -10.099 2.307 2.893 1.00 0.00 C ATOM 793 SD MET A 193 -9.504 2.828 4.521 1.00 0.00 S ATOM 794 CE MET A 193 -7.839 3.323 4.011 1.00 0.00 C ATOM 0 H MET A 193 -9.039 -1.320 3.648 1.00 0.00 H new ATOM 0 HA MET A 193 -11.340 0.437 3.944 1.00 0.00 H new ATOM 0 HB2 MET A 193 -8.704 0.668 3.087 1.00 0.00 H new ATOM 0 HB3 MET A 193 -9.570 0.687 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 193 -9.693 2.959 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 193 -11.184 2.394 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.163 3.257 4.863 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.489 2.661 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.861 4.349 3.644 1.00 0.00 H new ATOM 804 N ARG A 194 -11.216 -1.723 1.494 1.00 0.00 N ATOM 805 CA ARG A 194 -12.026 -2.296 0.383 1.00 0.00 C ATOM 806 C ARG A 194 -12.690 -3.593 0.845 1.00 0.00 C ATOM 807 O ARG A 194 -13.450 -4.204 0.121 1.00 0.00 O ATOM 808 CB ARG A 194 -11.113 -2.590 -0.808 1.00 0.00 C ATOM 809 CG ARG A 194 -10.729 -1.279 -1.496 1.00 0.00 C ATOM 810 CD ARG A 194 -9.602 -1.537 -2.497 1.00 0.00 C ATOM 811 NE ARG A 194 -9.486 -0.376 -3.425 1.00 0.00 N ATOM 812 CZ ARG A 194 -10.223 -0.326 -4.501 1.00 0.00 C ATOM 813 NH1 ARG A 194 -11.284 -1.079 -4.602 1.00 0.00 N ATOM 814 NH2 ARG A 194 -9.900 0.477 -5.478 1.00 0.00 N ATOM 0 H ARG A 194 -10.373 -2.246 1.731 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.795 -1.582 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.217 -3.112 -0.472 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.620 -3.248 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.594 -0.858 -2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -10.410 -0.547 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.661 -1.690 -1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.803 -2.448 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 194 -8.831 0.379 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -11.538 -1.707 -3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -11.859 -1.039 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -9.071 1.066 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -10.477 0.515 -6.318 1.00 0.00 H new ATOM 828 N GLY A 195 -12.411 -4.020 2.046 1.00 0.00 N ATOM 829 CA GLY A 195 -13.030 -5.279 2.550 1.00 0.00 C ATOM 830 C GLY A 195 -12.345 -6.484 1.900 1.00 0.00 C ATOM 831 O GLY A 195 -11.161 -6.464 1.625 1.00 0.00 O ATOM 0 H GLY A 195 -11.782 -3.553 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -12.934 -5.335 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -14.096 -5.288 2.323 1.00 0.00 H new ATOM 835 N SER A 196 -13.080 -7.534 1.657 1.00 0.00 N ATOM 836 CA SER A 196 -12.473 -8.744 1.031 1.00 0.00 C ATOM 837 C SER A 196 -12.304 -8.517 -0.473 1.00 0.00 C ATOM 838 O SER A 196 -12.969 -7.692 -1.067 1.00 0.00 O ATOM 839 CB SER A 196 -13.387 -9.946 1.266 1.00 0.00 C ATOM 840 OG SER A 196 -13.427 -10.243 2.655 1.00 0.00 O ATOM 0 H SER A 196 -14.076 -7.607 1.865 1.00 0.00 H new ATOM 0 HA SER A 196 -11.497 -8.933 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 196 -14.391 -9.731 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 196 -13.022 -10.809 0.709 1.00 0.00 H new ATOM 0 HG SER A 196 -14.014 -11.013 2.808 1.00 0.00 H new ATOM 846 N ARG A 197 -11.419 -9.251 -1.094 1.00 0.00 N ATOM 847 CA ARG A 197 -11.209 -9.087 -2.560 1.00 0.00 C ATOM 848 C ARG A 197 -10.883 -7.625 -2.875 1.00 0.00 C ATOM 849 O ARG A 197 -11.752 -6.776 -2.892 1.00 0.00 O ATOM 850 CB ARG A 197 -12.482 -9.496 -3.302 1.00 0.00 C ATOM 851 CG ARG A 197 -12.194 -9.595 -4.800 1.00 0.00 C ATOM 852 CD ARG A 197 -13.053 -10.704 -5.411 1.00 0.00 C ATOM 853 NE ARG A 197 -14.471 -10.522 -4.989 1.00 0.00 N ATOM 854 CZ ARG A 197 -15.327 -11.494 -5.140 1.00 0.00 C ATOM 855 NH1 ARG A 197 -15.073 -12.670 -4.635 1.00 0.00 N ATOM 856 NH2 ARG A 197 -16.437 -11.291 -5.797 1.00 0.00 N ATOM 0 H ARG A 197 -10.833 -9.957 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.379 -9.717 -2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -12.842 -10.454 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -13.271 -8.766 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -12.409 -8.644 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -11.137 -9.806 -4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.980 -10.679 -6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -12.689 -11.680 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 197 -14.772 -9.637 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.205 -12.828 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.742 -13.431 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -16.635 -10.372 -6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -17.106 -12.052 -5.915 1.00 0.00 H new ATOM 870 N ALA A 198 -9.638 -7.324 -3.130 1.00 0.00 N ATOM 871 CA ALA A 198 -9.267 -5.916 -3.449 1.00 0.00 C ATOM 872 C ALA A 198 -7.931 -5.893 -4.185 1.00 0.00 C ATOM 873 O ALA A 198 -7.164 -4.959 -4.072 1.00 0.00 O ATOM 874 CB ALA A 198 -9.158 -5.107 -2.156 1.00 0.00 C ATOM 0 H ALA A 198 -8.865 -7.989 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.035 -5.475 -4.084 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.887 -4.078 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.116 -5.119 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.393 -5.546 -1.516 1.00 0.00 H new ATOM 880 N LEU A 199 -7.664 -6.915 -4.950 1.00 0.00 N ATOM 881 CA LEU A 199 -6.388 -6.985 -5.727 1.00 0.00 C ATOM 882 C LEU A 199 -5.231 -6.383 -4.924 1.00 0.00 C ATOM 883 O LEU A 199 -5.028 -5.185 -4.908 1.00 0.00 O ATOM 884 CB LEU A 199 -6.550 -6.214 -7.037 1.00 0.00 C ATOM 885 CG LEU A 199 -7.793 -6.714 -7.773 1.00 0.00 C ATOM 886 CD1 LEU A 199 -7.947 -5.951 -9.089 1.00 0.00 C ATOM 887 CD2 LEU A 199 -7.643 -8.209 -8.066 1.00 0.00 C ATOM 0 H LEU A 199 -8.282 -7.717 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.162 -8.031 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -6.639 -5.147 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.667 -6.347 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 199 -8.674 -6.550 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -8.833 -6.307 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -8.051 -4.886 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -7.066 -6.115 -9.710 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -8.528 -8.568 -8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.762 -8.371 -8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -7.531 -8.754 -7.129 1.00 0.00 H new ATOM 899 N LEU A 200 -4.452 -7.207 -4.278 1.00 0.00 N ATOM 900 CA LEU A 200 -3.296 -6.679 -3.497 1.00 0.00 C ATOM 901 C LEU A 200 -2.006 -7.267 -4.065 1.00 0.00 C ATOM 902 O LEU A 200 -2.030 -8.083 -4.965 1.00 0.00 O ATOM 903 CB LEU A 200 -3.405 -7.064 -2.012 1.00 0.00 C ATOM 904 CG LEU A 200 -4.669 -7.888 -1.750 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.497 -8.681 -0.453 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.864 -6.947 -1.616 1.00 0.00 C ATOM 0 H LEU A 200 -4.565 -8.221 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.295 -5.592 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.526 -7.636 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.421 -6.163 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.837 -8.577 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.395 -9.269 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.640 -9.348 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.333 -7.992 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.766 -7.529 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.696 -6.262 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.984 -6.377 -2.538 1.00 0.00 H new ATOM 918 N ASN A 201 -0.882 -6.872 -3.540 1.00 0.00 N ATOM 919 CA ASN A 201 0.404 -7.430 -4.047 1.00 0.00 C ATOM 920 C ASN A 201 0.505 -8.883 -3.591 1.00 0.00 C ATOM 921 O ASN A 201 1.033 -9.732 -4.282 1.00 0.00 O ATOM 922 CB ASN A 201 1.597 -6.645 -3.487 1.00 0.00 C ATOM 923 CG ASN A 201 1.163 -5.241 -3.063 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.312 -4.882 -1.820 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.683 -4.467 -3.869 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.796 -6.191 -2.786 1.00 0.00 H new ATOM 0 HA ASN A 201 0.424 -7.359 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 201 2.020 -7.175 -2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.382 -6.577 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.567 -4.751 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.396 -3.534 -3.572 1.00 0.00 H new ATOM 932 N PHE A 202 -0.006 -9.169 -2.425 1.00 0.00 N ATOM 933 CA PHE A 202 0.045 -10.561 -1.903 1.00 0.00 C ATOM 934 C PHE A 202 -1.382 -11.044 -1.626 1.00 0.00 C ATOM 935 O PHE A 202 -1.799 -11.121 -0.487 1.00 0.00 O ATOM 936 CB PHE A 202 0.856 -10.587 -0.604 1.00 0.00 C ATOM 937 CG PHE A 202 2.124 -9.789 -0.781 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.790 -9.802 -2.011 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.637 -9.042 0.287 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.969 -9.067 -2.176 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.819 -8.306 0.122 1.00 0.00 C ATOM 942 CZ PHE A 202 4.485 -8.319 -1.110 1.00 0.00 C ATOM 0 H PHE A 202 -0.459 -8.494 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 202 0.517 -11.214 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.265 -10.173 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 202 1.097 -11.615 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.394 -10.379 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.123 -9.033 1.237 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.482 -9.076 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.216 -7.729 0.945 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.396 -7.753 -1.238 1.00 0.00 H new ATOM 952 N PRO A 203 -2.091 -11.352 -2.683 1.00 0.00 N ATOM 953 CA PRO A 203 -3.483 -11.829 -2.592 1.00 0.00 C ATOM 954 C PRO A 203 -3.517 -13.291 -2.140 1.00 0.00 C ATOM 955 O PRO A 203 -2.492 -13.934 -2.030 1.00 0.00 O ATOM 956 CB PRO A 203 -4.006 -11.682 -4.025 1.00 0.00 C ATOM 957 CG PRO A 203 -2.762 -11.672 -4.944 1.00 0.00 C ATOM 958 CD PRO A 203 -1.570 -11.258 -4.062 1.00 0.00 C ATOM 0 HA PRO A 203 -4.082 -11.276 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.672 -12.506 -4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.579 -10.762 -4.137 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.596 -12.656 -5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.895 -10.973 -5.769 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.716 -11.918 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.235 -10.247 -4.293 1.00 0.00 H new