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 Set 1.1: A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot -98:sc= 0.00197 USER MOD Single : A 151 GLN : amide:sc=-0.00234 X(o=-0.0023,f=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 178 THR OG1 : rot 180:sc= -1.87 USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 MET CE :methyl 173:sc= -0.383 (180deg=-0.559) USER MOD Single : A 196 SER OG : rot -6:sc= 0.774 USER MOD Single : A 201 ASN :FLIP amide:sc= -5.16! C(o=-11!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N TYR A 146 5.293 -3.330 -6.622 1.00 0.00 N ATOM 41 CA TYR A 146 3.956 -3.346 -5.964 1.00 0.00 C ATOM 42 C TYR A 146 3.253 -2.010 -6.199 1.00 0.00 C ATOM 43 O TYR A 146 3.801 -0.959 -5.931 1.00 0.00 O ATOM 44 CB TYR A 146 4.123 -3.556 -4.458 1.00 0.00 C ATOM 45 CG TYR A 146 4.919 -4.805 -4.201 1.00 0.00 C ATOM 46 CD1 TYR A 146 4.685 -5.953 -4.966 1.00 0.00 C ATOM 47 CD2 TYR A 146 5.884 -4.820 -3.188 1.00 0.00 C ATOM 48 CE1 TYR A 146 5.420 -7.118 -4.720 1.00 0.00 C ATOM 49 CE2 TYR A 146 6.619 -5.985 -2.939 1.00 0.00 C ATOM 50 CZ TYR A 146 6.388 -7.137 -3.706 1.00 0.00 C ATOM 51 OH TYR A 146 7.110 -8.286 -3.462 1.00 0.00 O ATOM 0 HA TYR A 146 3.363 -4.158 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 146 4.626 -2.696 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.145 -3.633 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.938 -5.940 -5.746 1.00 0.00 H new ATOM 0 HD2 TYR A 146 6.062 -3.933 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 146 5.241 -8.004 -5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 146 7.364 -5.997 -2.157 1.00 0.00 H new ATOM 0 HH TYR A 146 6.709 -8.771 -2.710 1.00 0.00 H new ATOM 61 N ARG A 147 2.041 -2.035 -6.677 1.00 0.00 N ATOM 62 CA ARG A 147 1.317 -0.756 -6.899 1.00 0.00 C ATOM 63 C ARG A 147 1.021 -0.118 -5.542 1.00 0.00 C ATOM 64 O ARG A 147 0.435 -0.729 -4.672 1.00 0.00 O ATOM 65 CB ARG A 147 0.014 -1.021 -7.654 1.00 0.00 C ATOM 66 CG ARG A 147 -1.025 -1.582 -6.691 1.00 0.00 C ATOM 67 CD ARG A 147 -2.174 -2.194 -7.488 1.00 0.00 C ATOM 68 NE ARG A 147 -3.471 -1.860 -6.835 1.00 0.00 N ATOM 69 CZ ARG A 147 -4.390 -1.220 -7.504 1.00 0.00 C ATOM 70 NH1 ARG A 147 -4.328 0.079 -7.617 1.00 0.00 N ATOM 71 NH2 ARG A 147 -5.369 -1.879 -8.060 1.00 0.00 N ATOM 0 H ARG A 147 1.524 -2.880 -6.922 1.00 0.00 H new ATOM 0 HA ARG A 147 1.930 -0.080 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.352 -0.098 -8.104 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.189 -1.725 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -0.571 -2.336 -6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.399 -0.791 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.162 -1.816 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.053 -3.276 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 147 -3.640 -2.131 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.561 0.593 -7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -5.046 0.580 -8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -5.416 -2.894 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -6.088 -1.379 -8.583 1.00 0.00 H new ATOM 85 N GLY A 148 1.432 1.102 -5.350 1.00 0.00 N ATOM 86 CA GLY A 148 1.186 1.774 -4.044 1.00 0.00 C ATOM 87 C GLY A 148 2.488 1.809 -3.239 1.00 0.00 C ATOM 88 O GLY A 148 2.695 2.673 -2.412 1.00 0.00 O ATOM 0 H GLY A 148 1.928 1.665 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.819 2.787 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 148 0.415 1.241 -3.487 1.00 0.00 H new ATOM 92 N VAL A 149 3.368 0.872 -3.475 1.00 0.00 N ATOM 93 CA VAL A 149 4.652 0.856 -2.720 1.00 0.00 C ATOM 94 C VAL A 149 5.696 1.696 -3.457 1.00 0.00 C ATOM 95 O VAL A 149 6.232 1.292 -4.471 1.00 0.00 O ATOM 96 CB VAL A 149 5.163 -0.581 -2.589 1.00 0.00 C ATOM 97 CG1 VAL A 149 6.471 -0.582 -1.802 1.00 0.00 C ATOM 98 CG2 VAL A 149 4.128 -1.426 -1.847 1.00 0.00 C ATOM 0 H VAL A 149 3.253 0.121 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 149 4.482 1.272 -1.727 1.00 0.00 H new ATOM 0 HB VAL A 149 5.330 -0.999 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 149 6.838 -1.604 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 149 7.212 0.022 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 149 6.299 -0.164 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 149 4.493 -2.449 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 149 3.962 -1.008 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 149 3.190 -1.424 -2.403 1.00 0.00 H new ATOM 108 N ARG A 150 6.002 2.855 -2.945 1.00 0.00 N ATOM 109 CA ARG A 150 7.025 3.716 -3.603 1.00 0.00 C ATOM 110 C ARG A 150 8.408 3.204 -3.206 1.00 0.00 C ATOM 111 O ARG A 150 8.825 3.339 -2.073 1.00 0.00 O ATOM 112 CB ARG A 150 6.859 5.164 -3.133 1.00 0.00 C ATOM 113 CG ARG A 150 5.470 5.674 -3.523 1.00 0.00 C ATOM 114 CD ARG A 150 5.571 7.128 -3.989 1.00 0.00 C ATOM 115 NE ARG A 150 6.657 7.249 -5.002 1.00 0.00 N ATOM 116 CZ ARG A 150 7.158 8.421 -5.283 1.00 0.00 C ATOM 117 NH1 ARG A 150 6.420 9.323 -5.867 1.00 0.00 N ATOM 118 NH2 ARG A 150 8.400 8.689 -4.981 1.00 0.00 N ATOM 0 H ARG A 150 5.588 3.244 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 150 6.906 3.681 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 150 6.989 5.223 -2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 150 7.628 5.793 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 150 5.054 5.055 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 150 4.792 5.600 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 150 4.622 7.451 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 150 5.776 7.780 -3.140 1.00 0.00 H new ATOM 0 HE ARG A 150 7.009 6.417 -5.475 1.00 0.00 H new ATOM 0 HH11 ARG A 150 5.451 9.113 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 150 6.812 10.239 -6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 150 8.978 7.983 -4.526 1.00 0.00 H new ATOM 0 HH22 ARG A 150 8.792 9.605 -5.200 1.00 0.00 H new ATOM 132 N GLN A 151 9.115 2.597 -4.116 1.00 0.00 N ATOM 133 CA GLN A 151 10.457 2.060 -3.760 1.00 0.00 C ATOM 134 C GLN A 151 11.457 3.201 -3.568 1.00 0.00 C ATOM 135 O GLN A 151 11.247 4.318 -3.997 1.00 0.00 O ATOM 136 CB GLN A 151 10.938 1.103 -4.848 1.00 0.00 C ATOM 137 CG GLN A 151 10.793 1.764 -6.220 1.00 0.00 C ATOM 138 CD GLN A 151 12.160 1.814 -6.908 1.00 0.00 C ATOM 139 OE1 GLN A 151 12.684 2.880 -7.167 1.00 0.00 O ATOM 140 NE2 GLN A 151 12.763 0.699 -7.216 1.00 0.00 N ATOM 0 H GLN A 151 8.826 2.450 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 151 10.380 1.514 -2.820 1.00 0.00 H new ATOM 0 HB2 GLN A 151 11.979 0.832 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 151 10.359 0.180 -4.816 1.00 0.00 H new ATOM 0 HG2 GLN A 151 10.086 1.205 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 151 10.392 2.772 -6.110 1.00 0.00 H new ATOM 0 HE21 GLN A 151 12.323 -0.195 -6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 151 13.674 0.722 -7.674 1.00 0.00 H new ATOM 149 N ARG A 152 12.528 2.918 -2.882 1.00 0.00 N ATOM 150 CA ARG A 152 13.559 3.955 -2.588 1.00 0.00 C ATOM 151 C ARG A 152 14.549 4.134 -3.741 1.00 0.00 C ATOM 152 O ARG A 152 14.629 3.313 -4.633 1.00 0.00 O ATOM 153 CB ARG A 152 14.363 3.499 -1.364 1.00 0.00 C ATOM 154 CG ARG A 152 14.682 1.989 -1.452 1.00 0.00 C ATOM 155 CD ARG A 152 15.154 1.599 -2.851 1.00 0.00 C ATOM 156 NE ARG A 152 15.772 0.244 -2.806 1.00 0.00 N ATOM 157 CZ ARG A 152 15.683 -0.549 -3.838 1.00 0.00 C ATOM 158 NH1 ARG A 152 15.770 -0.062 -5.046 1.00 0.00 N ATOM 159 NH2 ARG A 152 15.508 -1.831 -3.664 1.00 0.00 N ATOM 0 H ARG A 152 12.737 1.994 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 152 13.041 4.900 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 152 15.290 4.068 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 152 13.798 3.704 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 152 15.452 1.735 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 152 13.794 1.412 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 152 14.313 1.604 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 152 15.876 2.328 -3.219 1.00 0.00 H new ATOM 0 HE ARG A 152 16.265 -0.064 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 152 15.908 0.939 -5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 152 15.700 -0.683 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 152 15.441 -2.213 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 152 15.438 -2.450 -4.471 1.00 0.00 H new ATOM 173 N PRO A 153 15.333 5.176 -3.633 1.00 0.00 N ATOM 174 CA PRO A 153 16.409 5.453 -4.583 1.00 0.00 C ATOM 175 C PRO A 153 17.636 4.654 -4.117 1.00 0.00 C ATOM 176 O PRO A 153 18.584 4.451 -4.850 1.00 0.00 O ATOM 177 CB PRO A 153 16.649 6.957 -4.436 1.00 0.00 C ATOM 178 CG PRO A 153 16.126 7.342 -3.031 1.00 0.00 C ATOM 179 CD PRO A 153 15.201 6.198 -2.571 1.00 0.00 C ATOM 0 HA PRO A 153 16.193 5.184 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 153 17.708 7.194 -4.535 1.00 0.00 H new ATOM 0 HB3 PRO A 153 16.124 7.513 -5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 153 16.953 7.474 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO A 153 15.584 8.287 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 153 15.505 5.806 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 153 14.170 6.536 -2.469 1.00 0.00 H new ATOM 187 N TRP A 154 17.604 4.201 -2.879 1.00 0.00 N ATOM 188 CA TRP A 154 18.735 3.411 -2.314 1.00 0.00 C ATOM 189 C TRP A 154 18.187 2.350 -1.340 1.00 0.00 C ATOM 190 O TRP A 154 18.261 1.165 -1.597 1.00 0.00 O ATOM 191 CB TRP A 154 19.683 4.348 -1.564 1.00 0.00 C ATOM 192 CG TRP A 154 20.951 3.623 -1.247 1.00 0.00 C ATOM 193 CD1 TRP A 154 21.326 3.216 -0.012 1.00 0.00 C ATOM 194 CD2 TRP A 154 22.016 3.216 -2.154 1.00 0.00 C ATOM 195 NE1 TRP A 154 22.553 2.584 -0.104 1.00 0.00 N ATOM 196 CE2 TRP A 154 23.020 2.558 -1.403 1.00 0.00 C ATOM 197 CE3 TRP A 154 22.206 3.351 -3.543 1.00 0.00 C ATOM 198 CZ2 TRP A 154 24.172 2.053 -2.007 1.00 0.00 C ATOM 199 CZ3 TRP A 154 23.365 2.843 -4.155 1.00 0.00 C ATOM 200 CH2 TRP A 154 24.345 2.195 -3.388 1.00 0.00 C ATOM 0 H TRP A 154 16.828 4.352 -2.234 1.00 0.00 H new ATOM 0 HA TRP A 154 19.273 2.917 -3.123 1.00 0.00 H new ATOM 0 HB2 TRP A 154 19.897 5.228 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 154 19.213 4.700 -0.646 1.00 0.00 H new ATOM 0 HD1 TRP A 154 20.760 3.361 0.896 1.00 0.00 H new ATOM 0 HE1 TRP A 154 23.052 2.186 0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 154 21.457 3.848 -4.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 154 24.925 1.556 -1.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 154 23.502 2.952 -5.221 1.00 0.00 H new ATOM 0 HH2 TRP A 154 25.233 1.806 -3.864 1.00 0.00 H new ATOM 211 N GLY A 155 17.639 2.766 -0.220 1.00 0.00 N ATOM 212 CA GLY A 155 17.091 1.777 0.768 1.00 0.00 C ATOM 213 C GLY A 155 15.880 2.384 1.500 1.00 0.00 C ATOM 214 O GLY A 155 16.031 3.319 2.258 1.00 0.00 O ATOM 0 H GLY A 155 17.548 3.745 0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 155 16.795 0.862 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 155 17.862 1.503 1.488 1.00 0.00 H new ATOM 218 N LYS A 156 14.688 1.844 1.280 1.00 0.00 N ATOM 219 CA LYS A 156 13.448 2.367 1.952 1.00 0.00 C ATOM 220 C LYS A 156 12.231 2.191 1.027 1.00 0.00 C ATOM 221 O LYS A 156 12.336 2.276 -0.176 1.00 0.00 O ATOM 222 CB LYS A 156 13.597 3.856 2.246 1.00 0.00 C ATOM 223 CG LYS A 156 14.051 4.049 3.695 1.00 0.00 C ATOM 224 CD LYS A 156 12.836 3.995 4.623 1.00 0.00 C ATOM 225 CE LYS A 156 12.360 5.418 4.921 1.00 0.00 C ATOM 226 NZ LYS A 156 12.713 5.776 6.324 1.00 0.00 N ATOM 0 H LYS A 156 14.527 1.054 0.655 1.00 0.00 H new ATOM 0 HA LYS A 156 13.306 1.810 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 156 14.322 4.301 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 156 12.648 4.367 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 156 14.766 3.273 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 156 14.562 5.006 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 156 12.034 3.422 4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 156 13.096 3.485 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 156 12.823 6.120 4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 156 11.282 5.490 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 12.390 6.743 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 12.252 5.112 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 13.744 5.723 6.447 1.00 0.00 H new ATOM 240 N PHE A 157 11.068 1.978 1.575 1.00 0.00 N ATOM 241 CA PHE A 157 9.860 1.834 0.709 1.00 0.00 C ATOM 242 C PHE A 157 8.690 2.562 1.376 1.00 0.00 C ATOM 243 O PHE A 157 8.785 2.989 2.508 1.00 0.00 O ATOM 244 CB PHE A 157 9.516 0.352 0.521 1.00 0.00 C ATOM 245 CG PHE A 157 10.502 -0.281 -0.437 1.00 0.00 C ATOM 246 CD1 PHE A 157 11.780 -0.629 0.016 1.00 0.00 C ATOM 247 CD2 PHE A 157 10.142 -0.523 -1.774 1.00 0.00 C ATOM 248 CE1 PHE A 157 12.698 -1.219 -0.860 1.00 0.00 C ATOM 249 CE2 PHE A 157 11.064 -1.113 -2.649 1.00 0.00 C ATOM 250 CZ PHE A 157 12.341 -1.461 -2.193 1.00 0.00 C ATOM 0 H PHE A 157 10.899 1.897 2.578 1.00 0.00 H new ATOM 0 HA PHE A 157 10.057 2.267 -0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.545 -0.163 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.502 0.250 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 157 12.058 -0.442 1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 157 9.157 -0.255 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.683 -1.488 -0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 157 10.789 -1.299 -3.677 1.00 0.00 H new ATOM 0 HZ PHE A 157 13.051 -1.916 -2.868 1.00 0.00 H new ATOM 260 N ALA A 158 7.591 2.718 0.692 1.00 0.00 N ATOM 261 CA ALA A 158 6.440 3.431 1.314 1.00 0.00 C ATOM 262 C ALA A 158 5.126 2.770 0.906 1.00 0.00 C ATOM 263 O ALA A 158 4.728 2.806 -0.241 1.00 0.00 O ATOM 264 CB ALA A 158 6.432 4.891 0.862 1.00 0.00 C ATOM 0 H ALA A 158 7.440 2.387 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 158 6.543 3.383 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 158 5.589 5.409 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 158 7.362 5.371 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 158 6.340 4.935 -0.223 1.00 0.00 H new ATOM 270 N ALA A 159 4.442 2.179 1.842 1.00 0.00 N ATOM 271 CA ALA A 159 3.144 1.530 1.518 1.00 0.00 C ATOM 272 C ALA A 159 2.052 2.602 1.494 1.00 0.00 C ATOM 273 O ALA A 159 1.798 3.259 2.484 1.00 0.00 O ATOM 274 CB ALA A 159 2.823 0.486 2.589 1.00 0.00 C ATOM 0 H ALA A 159 4.726 2.117 2.820 1.00 0.00 H new ATOM 0 HA ALA A 159 3.198 1.040 0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 159 1.872 0.007 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 159 3.612 -0.266 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 159 2.756 0.972 3.562 1.00 0.00 H new ATOM 280 N GLU A 160 1.415 2.795 0.370 1.00 0.00 N ATOM 281 CA GLU A 160 0.352 3.839 0.288 1.00 0.00 C ATOM 282 C GLU A 160 -0.809 3.333 -0.573 1.00 0.00 C ATOM 283 O GLU A 160 -0.655 2.441 -1.383 1.00 0.00 O ATOM 284 CB GLU A 160 0.936 5.104 -0.343 1.00 0.00 C ATOM 285 CG GLU A 160 0.116 6.322 0.090 1.00 0.00 C ATOM 286 CD GLU A 160 -0.152 7.217 -1.122 1.00 0.00 C ATOM 287 OE1 GLU A 160 -0.095 6.711 -2.231 1.00 0.00 O ATOM 288 OE2 GLU A 160 -0.411 8.392 -0.921 1.00 0.00 O ATOM 0 H GLU A 160 1.584 2.277 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.014 4.060 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 160 1.976 5.227 -0.039 1.00 0.00 H new ATOM 0 HB3 GLU A 160 0.929 5.017 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 160 -0.827 6.000 0.533 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.653 6.881 0.856 1.00 0.00 H new ATOM 295 N ILE A 161 -1.971 3.904 -0.404 1.00 0.00 N ATOM 296 CA ILE A 161 -3.146 3.469 -1.211 1.00 0.00 C ATOM 297 C ILE A 161 -4.113 4.644 -1.368 1.00 0.00 C ATOM 298 O ILE A 161 -4.541 5.240 -0.401 1.00 0.00 O ATOM 299 CB ILE A 161 -3.862 2.316 -0.503 1.00 0.00 C ATOM 300 CG1 ILE A 161 -5.041 1.848 -1.360 1.00 0.00 C ATOM 301 CG2 ILE A 161 -4.379 2.794 0.855 1.00 0.00 C ATOM 302 CD1 ILE A 161 -5.832 0.774 -0.610 1.00 0.00 C ATOM 0 H ILE A 161 -2.157 4.655 0.260 1.00 0.00 H new ATOM 0 HA ILE A 161 -2.807 3.135 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 161 -3.166 1.490 -0.357 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.689 2.692 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -4.678 1.450 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -4.889 1.973 1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -3.541 3.131 1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -5.076 3.619 0.709 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -6.670 0.444 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -5.182 -0.075 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -6.208 1.186 0.326 1.00 0.00 H new ATOM 314 N ARG A 162 -4.460 4.984 -2.579 1.00 0.00 N ATOM 315 CA ARG A 162 -5.399 6.121 -2.791 1.00 0.00 C ATOM 316 C ARG A 162 -6.839 5.604 -2.767 1.00 0.00 C ATOM 317 O ARG A 162 -7.228 4.785 -3.577 1.00 0.00 O ATOM 318 CB ARG A 162 -5.111 6.780 -4.142 1.00 0.00 C ATOM 319 CG ARG A 162 -5.614 5.876 -5.271 1.00 0.00 C ATOM 320 CD ARG A 162 -4.836 6.178 -6.553 1.00 0.00 C ATOM 321 NE ARG A 162 -5.757 6.761 -7.568 1.00 0.00 N ATOM 322 CZ ARG A 162 -6.230 6.012 -8.526 1.00 0.00 C ATOM 323 NH1 ARG A 162 -6.447 4.743 -8.316 1.00 0.00 N ATOM 324 NH2 ARG A 162 -6.487 6.533 -9.695 1.00 0.00 N ATOM 0 H ARG A 162 -4.134 4.524 -3.429 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.265 6.856 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -5.600 7.752 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.041 6.955 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -5.489 4.829 -4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -6.680 6.038 -5.433 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.023 6.873 -6.342 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -4.383 5.265 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 162 -6.018 7.746 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.247 4.336 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -6.817 4.158 -9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.318 7.525 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -6.857 5.948 -10.444 1.00 0.00 H new ATOM 338 N ASP A 163 -7.633 6.075 -1.845 1.00 0.00 N ATOM 339 CA ASP A 163 -9.046 5.610 -1.771 1.00 0.00 C ATOM 340 C ASP A 163 -9.958 6.649 -2.440 1.00 0.00 C ATOM 341 O ASP A 163 -10.036 7.774 -1.990 1.00 0.00 O ATOM 342 CB ASP A 163 -9.449 5.452 -0.302 1.00 0.00 C ATOM 343 CG ASP A 163 -10.671 4.536 -0.201 1.00 0.00 C ATOM 344 OD1 ASP A 163 -11.650 4.810 -0.877 1.00 0.00 O ATOM 345 OD2 ASP A 163 -10.607 3.576 0.549 1.00 0.00 O ATOM 0 H ASP A 163 -7.364 6.761 -1.140 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.145 4.653 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -8.620 5.034 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.676 6.427 0.130 1.00 0.00 H new ATOM 350 N PRO A 164 -10.621 6.244 -3.498 1.00 0.00 N ATOM 351 CA PRO A 164 -11.532 7.130 -4.245 1.00 0.00 C ATOM 352 C PRO A 164 -12.861 7.278 -3.500 1.00 0.00 C ATOM 353 O PRO A 164 -13.554 8.268 -3.634 1.00 0.00 O ATOM 354 CB PRO A 164 -11.729 6.402 -5.578 1.00 0.00 C ATOM 355 CG PRO A 164 -11.400 4.914 -5.313 1.00 0.00 C ATOM 356 CD PRO A 164 -10.526 4.875 -4.045 1.00 0.00 C ATOM 0 HA PRO A 164 -11.142 8.140 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 164 -12.752 6.516 -5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 164 -11.075 6.814 -6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 164 -12.313 4.335 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 164 -10.872 4.477 -6.161 1.00 0.00 H new ATOM 0 HD2 PRO A 164 -10.891 4.135 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 164 -9.495 4.610 -4.280 1.00 0.00 H new ATOM 364 N ALA A 165 -13.221 6.302 -2.714 1.00 0.00 N ATOM 365 CA ALA A 165 -14.499 6.385 -1.961 1.00 0.00 C ATOM 366 C ALA A 165 -14.372 7.436 -0.857 1.00 0.00 C ATOM 367 O ALA A 165 -15.350 7.873 -0.286 1.00 0.00 O ATOM 368 CB ALA A 165 -14.813 5.025 -1.334 1.00 0.00 C ATOM 0 H ALA A 165 -12.683 5.449 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 165 -15.303 6.666 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -15.751 5.087 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -14.903 4.274 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -14.009 4.744 -0.654 1.00 0.00 H new ATOM 374 N LYS A 166 -13.170 7.843 -0.551 1.00 0.00 N ATOM 375 CA LYS A 166 -12.979 8.862 0.518 1.00 0.00 C ATOM 376 C LYS A 166 -12.690 10.225 -0.115 1.00 0.00 C ATOM 377 O LYS A 166 -11.964 11.031 0.429 1.00 0.00 O ATOM 378 CB LYS A 166 -11.801 8.451 1.405 1.00 0.00 C ATOM 379 CG LYS A 166 -11.917 6.966 1.753 1.00 0.00 C ATOM 380 CD LYS A 166 -13.123 6.749 2.668 1.00 0.00 C ATOM 381 CE LYS A 166 -13.243 5.262 3.008 1.00 0.00 C ATOM 382 NZ LYS A 166 -14.682 4.889 3.104 1.00 0.00 N ATOM 0 H LYS A 166 -12.313 7.514 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 166 -13.885 8.930 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -10.860 8.642 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -11.792 9.049 2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -12.027 6.376 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -11.007 6.625 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -13.011 7.334 3.581 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -14.033 7.096 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -12.751 4.662 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -12.738 5.052 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -14.764 3.878 3.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -15.138 5.453 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -15.150 5.075 2.194 1.00 0.00 H new ATOM 396 N ASN A 167 -13.255 10.488 -1.262 1.00 0.00 N ATOM 397 CA ASN A 167 -13.013 11.798 -1.927 1.00 0.00 C ATOM 398 C ASN A 167 -11.536 11.918 -2.307 1.00 0.00 C ATOM 399 O ASN A 167 -10.865 12.861 -1.942 1.00 0.00 O ATOM 400 CB ASN A 167 -13.387 12.931 -0.968 1.00 0.00 C ATOM 401 CG ASN A 167 -14.558 13.727 -1.547 1.00 0.00 C ATOM 402 OD1 ASN A 167 -15.673 13.244 -1.592 1.00 0.00 O ATOM 403 ND2 ASN A 167 -14.351 14.935 -1.996 1.00 0.00 N ATOM 0 H ASN A 167 -13.873 9.852 -1.766 1.00 0.00 H new ATOM 0 HA ASN A 167 -13.623 11.865 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -13.658 12.523 0.006 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -12.530 13.587 -0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -15.125 15.474 -2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -13.416 15.340 -1.958 1.00 0.00 H new ATOM 410 N GLY A 168 -11.024 10.968 -3.044 1.00 0.00 N ATOM 411 CA GLY A 168 -9.590 11.029 -3.449 1.00 0.00 C ATOM 412 C GLY A 168 -8.725 11.396 -2.242 1.00 0.00 C ATOM 413 O GLY A 168 -8.118 12.448 -2.198 1.00 0.00 O ATOM 0 H GLY A 168 -11.536 10.154 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -9.276 10.067 -3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -9.457 11.767 -4.241 1.00 0.00 H new ATOM 417 N ALA A 169 -8.660 10.536 -1.263 1.00 0.00 N ATOM 418 CA ALA A 169 -7.830 10.838 -0.062 1.00 0.00 C ATOM 419 C ALA A 169 -6.721 9.790 0.063 1.00 0.00 C ATOM 420 O ALA A 169 -6.932 8.703 0.563 1.00 0.00 O ATOM 421 CB ALA A 169 -8.711 10.810 1.189 1.00 0.00 C ATOM 0 H ALA A 169 -9.145 9.639 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 169 -7.384 11.827 -0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.104 11.031 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.499 11.557 1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -9.159 9.822 1.297 1.00 0.00 H new ATOM 427 N ARG A 170 -5.540 10.109 -0.391 1.00 0.00 N ATOM 428 CA ARG A 170 -4.415 9.135 -0.308 1.00 0.00 C ATOM 429 C ARG A 170 -4.334 8.557 1.107 1.00 0.00 C ATOM 430 O ARG A 170 -4.934 9.065 2.034 1.00 0.00 O ATOM 431 CB ARG A 170 -3.101 9.844 -0.647 1.00 0.00 C ATOM 432 CG ARG A 170 -3.037 10.104 -2.154 1.00 0.00 C ATOM 433 CD ARG A 170 -1.660 10.662 -2.521 1.00 0.00 C ATOM 434 NE ARG A 170 -1.824 11.903 -3.329 1.00 0.00 N ATOM 435 CZ ARG A 170 -0.872 12.288 -4.133 1.00 0.00 C ATOM 436 NH1 ARG A 170 -0.244 11.411 -4.868 1.00 0.00 N ATOM 437 NH2 ARG A 170 -0.547 13.550 -4.204 1.00 0.00 N ATOM 0 H ARG A 170 -5.305 11.005 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 170 -4.586 8.325 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 170 -3.032 10.785 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 170 -2.254 9.232 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 170 -3.223 9.180 -2.701 1.00 0.00 H new ATOM 0 HG3 ARG A 170 -3.816 10.809 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 170 -1.091 10.877 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 170 -1.094 9.921 -3.085 1.00 0.00 H new ATOM 0 HE ARG A 170 -2.681 12.451 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 170 -0.498 10.425 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 170 0.501 11.712 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 170 -1.038 14.236 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 170 0.198 13.850 -4.833 1.00 0.00 H new ATOM 451 N VAL A 171 -3.593 7.497 1.279 1.00 0.00 N ATOM 452 CA VAL A 171 -3.468 6.881 2.630 1.00 0.00 C ATOM 453 C VAL A 171 -2.042 6.351 2.811 1.00 0.00 C ATOM 454 O VAL A 171 -1.761 5.198 2.548 1.00 0.00 O ATOM 455 CB VAL A 171 -4.481 5.734 2.757 1.00 0.00 C ATOM 456 CG1 VAL A 171 -4.060 4.774 3.876 1.00 0.00 C ATOM 457 CG2 VAL A 171 -5.861 6.313 3.085 1.00 0.00 C ATOM 0 H VAL A 171 -3.067 7.030 0.540 1.00 0.00 H new ATOM 0 HA VAL A 171 -3.673 7.624 3.401 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.518 5.188 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.787 3.966 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -3.078 4.358 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -4.015 5.315 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -6.584 5.502 3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -5.811 6.862 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.172 6.988 2.287 1.00 0.00 H new ATOM 467 N TRP A 172 -1.140 7.183 3.261 1.00 0.00 N ATOM 468 CA TRP A 172 0.265 6.723 3.458 1.00 0.00 C ATOM 469 C TRP A 172 0.320 5.766 4.651 1.00 0.00 C ATOM 470 O TRP A 172 0.403 6.180 5.790 1.00 0.00 O ATOM 471 CB TRP A 172 1.168 7.929 3.726 1.00 0.00 C ATOM 472 CG TRP A 172 2.590 7.477 3.849 1.00 0.00 C ATOM 473 CD1 TRP A 172 3.068 6.667 4.821 1.00 0.00 C ATOM 474 CD2 TRP A 172 3.725 7.795 2.990 1.00 0.00 C ATOM 475 NE1 TRP A 172 4.421 6.470 4.616 1.00 0.00 N ATOM 476 CE2 TRP A 172 4.871 7.142 3.502 1.00 0.00 C ATOM 477 CE3 TRP A 172 3.870 8.576 1.829 1.00 0.00 C ATOM 478 CZ2 TRP A 172 6.117 7.260 2.888 1.00 0.00 C ATOM 479 CZ3 TRP A 172 5.124 8.699 1.204 1.00 0.00 C ATOM 480 CH2 TRP A 172 6.245 8.041 1.734 1.00 0.00 C ATOM 0 H TRP A 172 -1.315 8.159 3.500 1.00 0.00 H new ATOM 0 HA TRP A 172 0.610 6.209 2.561 1.00 0.00 H new ATOM 0 HB2 TRP A 172 1.075 8.652 2.916 1.00 0.00 H new ATOM 0 HB3 TRP A 172 0.856 8.433 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 172 2.487 6.243 5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 172 5.013 5.897 5.217 1.00 0.00 H new ATOM 0 HE3 TRP A 172 3.012 9.085 1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 6.977 6.753 3.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 5.225 9.302 0.313 1.00 0.00 H new ATOM 0 HH2 TRP A 172 7.206 8.138 1.251 1.00 0.00 H new ATOM 491 N LEU A 173 0.274 4.489 4.394 1.00 0.00 N ATOM 492 CA LEU A 173 0.322 3.499 5.506 1.00 0.00 C ATOM 493 C LEU A 173 1.578 3.733 6.345 1.00 0.00 C ATOM 494 O LEU A 173 1.540 3.695 7.559 1.00 0.00 O ATOM 495 CB LEU A 173 0.355 2.085 4.925 1.00 0.00 C ATOM 496 CG LEU A 173 -1.073 1.621 4.628 1.00 0.00 C ATOM 497 CD1 LEU A 173 -1.338 1.714 3.124 1.00 0.00 C ATOM 498 CD2 LEU A 173 -1.242 0.171 5.088 1.00 0.00 C ATOM 0 H LEU A 173 0.205 4.087 3.459 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.561 3.616 6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 173 0.951 2.069 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 173 0.831 1.402 5.629 1.00 0.00 H new ATOM 0 HG LEU A 173 -1.781 2.257 5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -2.355 1.384 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -1.216 2.746 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -0.632 1.078 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -2.258 -0.161 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -0.535 -0.465 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 173 -1.053 0.105 6.160 1.00 0.00 H new ATOM 510 N GLY A 174 2.690 3.974 5.710 1.00 0.00 N ATOM 511 CA GLY A 174 3.948 4.210 6.472 1.00 0.00 C ATOM 512 C GLY A 174 5.129 3.647 5.683 1.00 0.00 C ATOM 513 O GLY A 174 4.985 2.715 4.916 1.00 0.00 O ATOM 0 H GLY A 174 2.783 4.018 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 174 4.087 5.277 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 174 3.889 3.733 7.450 1.00 0.00 H new ATOM 517 N THR A 175 6.294 4.203 5.859 1.00 0.00 N ATOM 518 CA THR A 175 7.475 3.695 5.110 1.00 0.00 C ATOM 519 C THR A 175 7.808 2.278 5.583 1.00 0.00 C ATOM 520 O THR A 175 7.155 1.732 6.449 1.00 0.00 O ATOM 521 CB THR A 175 8.674 4.616 5.351 1.00 0.00 C ATOM 522 OG1 THR A 175 9.282 4.288 6.593 1.00 0.00 O ATOM 523 CG2 THR A 175 8.208 6.072 5.376 1.00 0.00 C ATOM 0 H THR A 175 6.479 4.985 6.487 1.00 0.00 H new ATOM 0 HA THR A 175 7.248 3.676 4.044 1.00 0.00 H new ATOM 0 HB THR A 175 9.398 4.484 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 175 10.050 4.876 6.747 1.00 0.00 H new ATOM 0 HG21 THR A 175 9.064 6.725 5.548 1.00 0.00 H new ATOM 0 HG22 THR A 175 7.746 6.323 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 175 7.481 6.208 6.177 1.00 0.00 H new ATOM 531 N PHE A 176 8.816 1.679 5.014 1.00 0.00 N ATOM 532 CA PHE A 176 9.194 0.299 5.418 1.00 0.00 C ATOM 533 C PHE A 176 10.673 0.069 5.096 1.00 0.00 C ATOM 534 O PHE A 176 11.374 0.976 4.692 1.00 0.00 O ATOM 535 CB PHE A 176 8.335 -0.707 4.648 1.00 0.00 C ATOM 536 CG PHE A 176 6.938 -0.705 5.220 1.00 0.00 C ATOM 537 CD1 PHE A 176 6.624 -1.539 6.299 1.00 0.00 C ATOM 538 CD2 PHE A 176 5.956 0.138 4.678 1.00 0.00 C ATOM 539 CE1 PHE A 176 5.332 -1.535 6.836 1.00 0.00 C ATOM 540 CE2 PHE A 176 4.663 0.145 5.217 1.00 0.00 C ATOM 541 CZ PHE A 176 4.351 -0.692 6.296 1.00 0.00 C ATOM 0 H PHE A 176 9.397 2.089 4.283 1.00 0.00 H new ATOM 0 HA PHE A 176 9.031 0.168 6.488 1.00 0.00 H new ATOM 0 HB2 PHE A 176 8.308 -0.446 3.590 1.00 0.00 H new ATOM 0 HB3 PHE A 176 8.769 -1.704 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 176 7.380 -2.187 6.718 1.00 0.00 H new ATOM 0 HD2 PHE A 176 6.197 0.782 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 176 5.091 -2.182 7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 176 3.907 0.795 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 176 3.354 -0.688 6.712 1.00 0.00 H new ATOM 551 N GLU A 177 11.156 -1.129 5.270 1.00 0.00 N ATOM 552 CA GLU A 177 12.590 -1.399 4.972 1.00 0.00 C ATOM 553 C GLU A 177 12.719 -2.003 3.571 1.00 0.00 C ATOM 554 O GLU A 177 13.784 -2.009 2.986 1.00 0.00 O ATOM 555 CB GLU A 177 13.156 -2.377 6.003 1.00 0.00 C ATOM 556 CG GLU A 177 14.579 -2.769 5.603 1.00 0.00 C ATOM 557 CD GLU A 177 15.121 -3.807 6.589 1.00 0.00 C ATOM 558 OE1 GLU A 177 15.171 -3.503 7.770 1.00 0.00 O ATOM 559 OE2 GLU A 177 15.478 -4.886 6.146 1.00 0.00 O ATOM 0 H GLU A 177 10.622 -1.931 5.605 1.00 0.00 H new ATOM 0 HA GLU A 177 13.148 -0.464 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 177 13.157 -1.919 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 177 12.526 -3.264 6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 177 14.585 -3.175 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 177 15.221 -1.889 5.596 1.00 0.00 H new ATOM 566 N THR A 178 11.647 -2.512 3.028 1.00 0.00 N ATOM 567 CA THR A 178 11.724 -3.115 1.668 1.00 0.00 C ATOM 568 C THR A 178 10.364 -3.009 0.977 1.00 0.00 C ATOM 569 O THR A 178 9.369 -2.672 1.587 1.00 0.00 O ATOM 570 CB THR A 178 12.117 -4.589 1.790 1.00 0.00 C ATOM 571 OG1 THR A 178 10.977 -5.351 2.161 1.00 0.00 O ATOM 572 CG2 THR A 178 13.204 -4.740 2.852 1.00 0.00 C ATOM 0 H THR A 178 10.726 -2.536 3.465 1.00 0.00 H new ATOM 0 HA THR A 178 12.470 -2.582 1.079 1.00 0.00 H new ATOM 0 HB THR A 178 12.496 -4.947 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 178 11.226 -6.296 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 178 13.484 -5.790 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 178 14.077 -4.154 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 178 12.828 -4.384 3.811 1.00 0.00 H new ATOM 580 N ALA A 179 10.315 -3.298 -0.295 1.00 0.00 N ATOM 581 CA ALA A 179 9.023 -3.220 -1.031 1.00 0.00 C ATOM 582 C ALA A 179 8.121 -4.368 -0.585 1.00 0.00 C ATOM 583 O ALA A 179 6.916 -4.307 -0.711 1.00 0.00 O ATOM 584 CB ALA A 179 9.287 -3.338 -2.533 1.00 0.00 C ATOM 0 H ALA A 179 11.116 -3.585 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 179 8.537 -2.267 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 179 8.342 -3.281 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 179 9.938 -2.524 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 179 9.769 -4.293 -2.744 1.00 0.00 H new ATOM 590 N GLU A 180 8.698 -5.417 -0.067 1.00 0.00 N ATOM 591 CA GLU A 180 7.874 -6.573 0.389 1.00 0.00 C ATOM 592 C GLU A 180 7.144 -6.205 1.681 1.00 0.00 C ATOM 593 O GLU A 180 5.985 -6.522 1.861 1.00 0.00 O ATOM 594 CB GLU A 180 8.784 -7.779 0.642 1.00 0.00 C ATOM 595 CG GLU A 180 7.935 -9.047 0.775 1.00 0.00 C ATOM 596 CD GLU A 180 8.796 -10.180 1.338 1.00 0.00 C ATOM 597 OE1 GLU A 180 9.587 -10.726 0.589 1.00 0.00 O ATOM 598 OE2 GLU A 180 8.649 -10.481 2.512 1.00 0.00 O ATOM 0 H GLU A 180 9.704 -5.524 0.060 1.00 0.00 H new ATOM 0 HA GLU A 180 7.143 -6.823 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 180 9.494 -7.889 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 180 9.367 -7.623 1.550 1.00 0.00 H new ATOM 0 HG2 GLU A 180 7.085 -8.861 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 180 7.531 -9.331 -0.197 1.00 0.00 H new ATOM 605 N ASP A 181 7.812 -5.542 2.583 1.00 0.00 N ATOM 606 CA ASP A 181 7.154 -5.156 3.861 1.00 0.00 C ATOM 607 C ASP A 181 6.157 -4.027 3.599 1.00 0.00 C ATOM 608 O ASP A 181 5.115 -3.950 4.220 1.00 0.00 O ATOM 609 CB ASP A 181 8.209 -4.679 4.864 1.00 0.00 C ATOM 610 CG ASP A 181 9.538 -5.390 4.600 1.00 0.00 C ATOM 611 OD1 ASP A 181 9.540 -6.609 4.570 1.00 0.00 O ATOM 612 OD2 ASP A 181 10.533 -4.702 4.433 1.00 0.00 O ATOM 0 H ASP A 181 8.785 -5.251 2.490 1.00 0.00 H new ATOM 0 HA ASP A 181 6.631 -6.020 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 181 8.341 -3.600 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 181 7.874 -4.882 5.881 1.00 0.00 H new ATOM 617 N ALA A 182 6.465 -3.151 2.684 1.00 0.00 N ATOM 618 CA ALA A 182 5.531 -2.030 2.386 1.00 0.00 C ATOM 619 C ALA A 182 4.342 -2.563 1.589 1.00 0.00 C ATOM 620 O ALA A 182 3.237 -2.073 1.699 1.00 0.00 O ATOM 621 CB ALA A 182 6.257 -0.957 1.571 1.00 0.00 C ATOM 0 H ALA A 182 7.322 -3.163 2.130 1.00 0.00 H new ATOM 0 HA ALA A 182 5.178 -1.592 3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.571 -0.138 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 182 7.105 -0.579 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 182 6.613 -1.389 0.636 1.00 0.00 H new ATOM 627 N ALA A 183 4.558 -3.573 0.793 1.00 0.00 N ATOM 628 CA ALA A 183 3.436 -4.145 0.001 1.00 0.00 C ATOM 629 C ALA A 183 2.520 -4.918 0.945 1.00 0.00 C ATOM 630 O ALA A 183 1.310 -4.860 0.840 1.00 0.00 O ATOM 631 CB ALA A 183 3.988 -5.085 -1.072 1.00 0.00 C ATOM 0 H ALA A 183 5.462 -4.026 0.657 1.00 0.00 H new ATOM 0 HA ALA A 183 2.878 -3.346 -0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 183 3.163 -5.502 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.652 -4.530 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 183 4.543 -5.894 -0.597 1.00 0.00 H new ATOM 637 N LEU A 184 3.092 -5.633 1.878 1.00 0.00 N ATOM 638 CA LEU A 184 2.262 -6.402 2.845 1.00 0.00 C ATOM 639 C LEU A 184 1.396 -5.424 3.634 1.00 0.00 C ATOM 640 O LEU A 184 0.201 -5.601 3.767 1.00 0.00 O ATOM 641 CB LEU A 184 3.175 -7.168 3.804 1.00 0.00 C ATOM 642 CG LEU A 184 2.329 -8.005 4.767 1.00 0.00 C ATOM 643 CD1 LEU A 184 1.259 -8.767 3.982 1.00 0.00 C ATOM 644 CD2 LEU A 184 3.230 -9.004 5.497 1.00 0.00 C ATOM 0 H LEU A 184 4.100 -5.716 2.010 1.00 0.00 H new ATOM 0 HA LEU A 184 1.629 -7.111 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 184 3.849 -7.814 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 184 3.797 -6.470 4.364 1.00 0.00 H new ATOM 0 HG LEU A 184 1.848 -7.348 5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 184 0.658 -9.362 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 184 0.617 -8.058 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 184 1.739 -9.425 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 184 2.630 -9.601 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 184 3.710 -9.659 4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 184 3.993 -8.464 6.058 1.00 0.00 H new ATOM 656 N ALA A 185 1.989 -4.381 4.146 1.00 0.00 N ATOM 657 CA ALA A 185 1.198 -3.380 4.913 1.00 0.00 C ATOM 658 C ALA A 185 0.180 -2.744 3.968 1.00 0.00 C ATOM 659 O ALA A 185 -0.883 -2.319 4.373 1.00 0.00 O ATOM 660 CB ALA A 185 2.128 -2.302 5.472 1.00 0.00 C ATOM 0 H ALA A 185 2.986 -4.179 4.066 1.00 0.00 H new ATOM 0 HA ALA A 185 0.686 -3.865 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 185 1.544 -1.572 6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 185 2.863 -2.762 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 185 2.641 -1.802 4.650 1.00 0.00 H new ATOM 666 N TYR A 186 0.500 -2.686 2.704 1.00 0.00 N ATOM 667 CA TYR A 186 -0.446 -2.093 1.722 1.00 0.00 C ATOM 668 C TYR A 186 -1.665 -3.009 1.592 1.00 0.00 C ATOM 669 O TYR A 186 -2.752 -2.569 1.283 1.00 0.00 O ATOM 670 CB TYR A 186 0.245 -1.960 0.363 1.00 0.00 C ATOM 671 CG TYR A 186 -0.780 -1.638 -0.696 1.00 0.00 C ATOM 672 CD1 TYR A 186 -1.632 -2.642 -1.171 1.00 0.00 C ATOM 673 CD2 TYR A 186 -0.878 -0.337 -1.204 1.00 0.00 C ATOM 674 CE1 TYR A 186 -2.584 -2.345 -2.153 1.00 0.00 C ATOM 675 CE2 TYR A 186 -1.830 -0.039 -2.187 1.00 0.00 C ATOM 676 CZ TYR A 186 -2.684 -1.044 -2.662 1.00 0.00 C ATOM 677 OH TYR A 186 -3.622 -0.752 -3.631 1.00 0.00 O ATOM 0 H TYR A 186 1.378 -3.025 2.310 1.00 0.00 H new ATOM 0 HA TYR A 186 -0.762 -1.106 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 186 1.000 -1.175 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 186 0.761 -2.887 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -1.555 -3.646 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -0.219 0.437 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -3.242 -3.120 -2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -1.906 0.965 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 186 -3.558 0.196 -3.873 1.00 0.00 H new ATOM 687 N ASP A 187 -1.487 -4.282 1.822 1.00 0.00 N ATOM 688 CA ASP A 187 -2.629 -5.231 1.714 1.00 0.00 C ATOM 689 C ASP A 187 -3.572 -5.030 2.902 1.00 0.00 C ATOM 690 O ASP A 187 -4.777 -5.131 2.779 1.00 0.00 O ATOM 691 CB ASP A 187 -2.094 -6.665 1.739 1.00 0.00 C ATOM 692 CG ASP A 187 -1.544 -7.049 0.364 1.00 0.00 C ATOM 693 OD1 ASP A 187 -1.063 -6.169 -0.332 1.00 0.00 O ATOM 694 OD2 ASP A 187 -1.613 -8.219 0.027 1.00 0.00 O ATOM 0 H ASP A 187 -0.596 -4.706 2.081 1.00 0.00 H new ATOM 0 HA ASP A 187 -3.167 -5.050 0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -1.309 -6.755 2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -2.890 -7.353 2.025 1.00 0.00 H new ATOM 699 N ARG A 188 -3.029 -4.757 4.055 1.00 0.00 N ATOM 700 CA ARG A 188 -3.881 -4.560 5.261 1.00 0.00 C ATOM 701 C ARG A 188 -4.765 -3.323 5.087 1.00 0.00 C ATOM 702 O ARG A 188 -5.898 -3.291 5.527 1.00 0.00 O ATOM 703 CB ARG A 188 -2.985 -4.377 6.489 1.00 0.00 C ATOM 704 CG ARG A 188 -2.923 -5.687 7.278 1.00 0.00 C ATOM 705 CD ARG A 188 -2.560 -5.389 8.734 1.00 0.00 C ATOM 706 NE ARG A 188 -3.786 -5.466 9.578 1.00 0.00 N ATOM 707 CZ ARG A 188 -3.689 -5.402 10.878 1.00 0.00 C ATOM 708 NH1 ARG A 188 -3.124 -6.376 11.540 1.00 0.00 N ATOM 709 NH2 ARG A 188 -4.155 -4.363 11.515 1.00 0.00 N ATOM 0 H ARG A 188 -2.026 -4.661 4.215 1.00 0.00 H new ATOM 0 HA ARG A 188 -4.518 -5.434 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 188 -1.983 -4.079 6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 188 -3.374 -3.578 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 188 -3.884 -6.199 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 188 -2.183 -6.355 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 188 -1.817 -6.103 9.088 1.00 0.00 H new ATOM 0 HD3 ARG A 188 -2.113 -4.398 8.813 1.00 0.00 H new ATOM 0 HE ARG A 188 -4.701 -5.569 9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 188 -2.758 -7.187 11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 188 -3.048 -6.326 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 188 -4.594 -3.602 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 188 -4.080 -4.312 12.531 1.00 0.00 H new ATOM 723 N ALA A 189 -4.258 -2.301 4.456 1.00 0.00 N ATOM 724 CA ALA A 189 -5.073 -1.066 4.265 1.00 0.00 C ATOM 725 C ALA A 189 -6.034 -1.255 3.089 1.00 0.00 C ATOM 726 O ALA A 189 -7.182 -0.860 3.143 1.00 0.00 O ATOM 727 CB ALA A 189 -4.147 0.116 3.977 1.00 0.00 C ATOM 0 H ALA A 189 -3.317 -2.266 4.065 1.00 0.00 H new ATOM 0 HA ALA A 189 -5.646 -0.871 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 189 -4.742 1.019 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 189 -3.465 0.257 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 189 -3.573 -0.084 3.072 1.00 0.00 H new ATOM 733 N ALA A 190 -5.573 -1.847 2.023 1.00 0.00 N ATOM 734 CA ALA A 190 -6.458 -2.051 0.841 1.00 0.00 C ATOM 735 C ALA A 190 -7.492 -3.134 1.151 1.00 0.00 C ATOM 736 O ALA A 190 -8.388 -3.386 0.372 1.00 0.00 O ATOM 737 CB ALA A 190 -5.613 -2.481 -0.361 1.00 0.00 C ATOM 0 H ALA A 190 -4.621 -2.199 1.918 1.00 0.00 H new ATOM 0 HA ALA A 190 -6.972 -1.118 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.260 -2.630 -1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -4.880 -1.707 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -5.097 -3.413 -0.129 1.00 0.00 H new ATOM 743 N PHE A 191 -7.385 -3.774 2.282 1.00 0.00 N ATOM 744 CA PHE A 191 -8.376 -4.831 2.628 1.00 0.00 C ATOM 745 C PHE A 191 -9.338 -4.284 3.682 1.00 0.00 C ATOM 746 O PHE A 191 -10.537 -4.461 3.596 1.00 0.00 O ATOM 747 CB PHE A 191 -7.651 -6.059 3.179 1.00 0.00 C ATOM 748 CG PHE A 191 -8.419 -7.305 2.802 1.00 0.00 C ATOM 749 CD1 PHE A 191 -9.450 -7.769 3.630 1.00 0.00 C ATOM 750 CD2 PHE A 191 -8.101 -7.997 1.625 1.00 0.00 C ATOM 751 CE1 PHE A 191 -10.162 -8.924 3.280 1.00 0.00 C ATOM 752 CE2 PHE A 191 -8.814 -9.151 1.275 1.00 0.00 C ATOM 753 CZ PHE A 191 -9.844 -9.615 2.104 1.00 0.00 C ATOM 0 H PHE A 191 -6.658 -3.612 2.979 1.00 0.00 H new ATOM 0 HA PHE A 191 -8.932 -5.119 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 191 -6.638 -6.107 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 191 -7.562 -5.987 4.263 1.00 0.00 H new ATOM 0 HD1 PHE A 191 -9.696 -7.237 4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 191 -7.306 -7.640 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 191 -10.957 -9.282 3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 191 -8.570 -9.683 0.367 1.00 0.00 H new ATOM 0 HZ PHE A 191 -10.393 -10.506 1.836 1.00 0.00 H new ATOM 763 N ARG A 192 -8.820 -3.610 4.668 1.00 0.00 N ATOM 764 CA ARG A 192 -9.701 -3.036 5.722 1.00 0.00 C ATOM 765 C ARG A 192 -10.645 -2.027 5.073 1.00 0.00 C ATOM 766 O ARG A 192 -11.813 -1.945 5.397 1.00 0.00 O ATOM 767 CB ARG A 192 -8.843 -2.327 6.772 1.00 0.00 C ATOM 768 CG ARG A 192 -9.716 -1.924 7.963 1.00 0.00 C ATOM 769 CD ARG A 192 -9.397 -0.483 8.366 1.00 0.00 C ATOM 770 NE ARG A 192 -8.886 -0.457 9.766 1.00 0.00 N ATOM 771 CZ ARG A 192 -9.405 0.366 10.636 1.00 0.00 C ATOM 772 NH1 ARG A 192 -8.960 1.592 10.722 1.00 0.00 N ATOM 773 NH2 ARG A 192 -10.367 -0.034 11.420 1.00 0.00 N ATOM 0 H ARG A 192 -7.823 -3.431 4.790 1.00 0.00 H new ATOM 0 HA ARG A 192 -10.274 -3.829 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 192 -8.039 -2.984 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 192 -8.374 -1.444 6.337 1.00 0.00 H new ATOM 0 HG2 ARG A 192 -10.770 -2.015 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 192 -9.537 -2.596 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 192 -8.654 -0.061 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 192 -10.291 0.135 8.283 1.00 0.00 H new ATOM 0 HE ARG A 192 -8.130 -1.083 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 192 -8.207 1.905 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 192 -9.366 2.235 11.402 1.00 0.00 H new ATOM 0 HH21 ARG A 192 -10.714 -0.991 11.354 1.00 0.00 H new ATOM 0 HH22 ARG A 192 -10.772 0.610 12.100 1.00 0.00 H new ATOM 787 N MET A 193 -10.137 -1.258 4.152 1.00 0.00 N ATOM 788 CA MET A 193 -10.984 -0.245 3.462 1.00 0.00 C ATOM 789 C MET A 193 -11.804 -0.925 2.367 1.00 0.00 C ATOM 790 O MET A 193 -12.978 -0.663 2.197 1.00 0.00 O ATOM 791 CB MET A 193 -10.083 0.815 2.827 1.00 0.00 C ATOM 792 CG MET A 193 -9.634 1.812 3.897 1.00 0.00 C ATOM 793 SD MET A 193 -9.400 3.439 3.141 1.00 0.00 S ATOM 794 CE MET A 193 -7.755 3.133 2.452 1.00 0.00 C ATOM 0 H MET A 193 -9.165 -1.288 3.845 1.00 0.00 H new ATOM 0 HA MET A 193 -11.654 0.221 4.184 1.00 0.00 H new ATOM 0 HB2 MET A 193 -9.215 0.342 2.369 1.00 0.00 H new ATOM 0 HB3 MET A 193 -10.619 1.335 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 193 -10.379 1.871 4.690 1.00 0.00 H new ATOM 0 HG3 MET A 193 -8.705 1.475 4.357 1.00 0.00 H new ATOM 0 HE1 MET A 193 -7.460 3.976 1.827 1.00 0.00 H new ATOM 0 HE2 MET A 193 -7.037 3.014 3.263 1.00 0.00 H new ATOM 0 HE3 MET A 193 -7.776 2.225 1.850 1.00 0.00 H new ATOM 804 N ARG A 194 -11.188 -1.796 1.622 1.00 0.00 N ATOM 805 CA ARG A 194 -11.914 -2.497 0.530 1.00 0.00 C ATOM 806 C ARG A 194 -12.257 -3.917 0.978 1.00 0.00 C ATOM 807 O ARG A 194 -12.279 -4.838 0.188 1.00 0.00 O ATOM 808 CB ARG A 194 -11.024 -2.556 -0.712 1.00 0.00 C ATOM 809 CG ARG A 194 -10.407 -1.177 -0.959 1.00 0.00 C ATOM 810 CD ARG A 194 -9.413 -1.257 -2.120 1.00 0.00 C ATOM 811 NE ARG A 194 -9.351 0.062 -2.811 1.00 0.00 N ATOM 812 CZ ARG A 194 -9.237 0.114 -4.110 1.00 0.00 C ATOM 813 NH1 ARG A 194 -8.299 -0.569 -4.711 1.00 0.00 N ATOM 814 NH2 ARG A 194 -10.058 0.848 -4.809 1.00 0.00 N ATOM 0 H ARG A 194 -10.206 -2.054 1.723 1.00 0.00 H new ATOM 0 HA ARG A 194 -12.832 -1.958 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 194 -10.238 -3.299 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 194 -11.609 -2.866 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 194 -11.190 -0.453 -1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 194 -9.902 -0.827 -0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 194 -8.426 -1.532 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 194 -9.718 -2.033 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 194 -9.398 0.924 -2.268 1.00 0.00 H new ATOM 0 HH11 ARG A 194 -7.656 -1.143 -4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 194 -8.210 -0.529 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 194 -10.790 1.382 -4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 194 -9.968 0.888 -5.824 1.00 0.00 H new ATOM 828 N GLY A 195 -12.518 -4.097 2.244 1.00 0.00 N ATOM 829 CA GLY A 195 -12.858 -5.458 2.752 1.00 0.00 C ATOM 830 C GLY A 195 -13.803 -6.154 1.770 1.00 0.00 C ATOM 831 O GLY A 195 -15.005 -5.981 1.821 1.00 0.00 O ATOM 0 H GLY A 195 -12.511 -3.360 2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -11.950 -6.047 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -13.328 -5.384 3.733 1.00 0.00 H new ATOM 835 N SER A 196 -13.266 -6.937 0.875 1.00 0.00 N ATOM 836 CA SER A 196 -14.125 -7.645 -0.115 1.00 0.00 C ATOM 837 C SER A 196 -13.238 -8.291 -1.183 1.00 0.00 C ATOM 838 O SER A 196 -13.317 -7.965 -2.350 1.00 0.00 O ATOM 839 CB SER A 196 -15.074 -6.644 -0.776 1.00 0.00 C ATOM 840 OG SER A 196 -14.337 -5.497 -1.184 1.00 0.00 O ATOM 0 H SER A 196 -12.266 -7.117 0.787 1.00 0.00 H new ATOM 0 HA SER A 196 -14.707 -8.415 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 196 -15.562 -7.102 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 196 -15.861 -6.356 -0.079 1.00 0.00 H new ATOM 0 HG SER A 196 -13.412 -5.573 -0.868 1.00 0.00 H new ATOM 846 N ARG A 197 -12.390 -9.204 -0.788 1.00 0.00 N ATOM 847 CA ARG A 197 -11.492 -9.871 -1.775 1.00 0.00 C ATOM 848 C ARG A 197 -10.786 -8.810 -2.619 1.00 0.00 C ATOM 849 O ARG A 197 -10.542 -8.996 -3.795 1.00 0.00 O ATOM 850 CB ARG A 197 -12.314 -10.786 -2.682 1.00 0.00 C ATOM 851 CG ARG A 197 -12.043 -12.240 -2.302 1.00 0.00 C ATOM 852 CD ARG A 197 -11.721 -13.049 -3.560 1.00 0.00 C ATOM 853 NE ARG A 197 -11.971 -14.494 -3.298 1.00 0.00 N ATOM 854 CZ ARG A 197 -13.131 -15.019 -3.587 1.00 0.00 C ATOM 855 NH1 ARG A 197 -14.213 -14.294 -3.515 1.00 0.00 N ATOM 856 NH2 ARG A 197 -13.207 -16.272 -3.948 1.00 0.00 N ATOM 0 H ARG A 197 -12.281 -9.517 0.177 1.00 0.00 H new ATOM 0 HA ARG A 197 -10.749 -10.466 -1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -13.376 -10.562 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -12.052 -10.615 -3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -11.211 -12.294 -1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -12.912 -12.663 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -12.336 -12.708 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -10.681 -12.895 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 197 -11.236 -15.073 -2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 197 -14.154 -13.316 -3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 197 -15.119 -14.705 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -12.361 -16.839 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -14.112 -16.684 -4.174 1.00 0.00 H new ATOM 870 N ALA A 198 -10.456 -7.700 -2.024 1.00 0.00 N ATOM 871 CA ALA A 198 -9.764 -6.619 -2.782 1.00 0.00 C ATOM 872 C ALA A 198 -8.435 -7.146 -3.327 1.00 0.00 C ATOM 873 O ALA A 198 -7.776 -7.956 -2.706 1.00 0.00 O ATOM 874 CB ALA A 198 -9.501 -5.431 -1.854 1.00 0.00 C ATOM 0 H ALA A 198 -10.636 -7.492 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 198 -10.394 -6.298 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 198 -8.995 -4.641 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 198 -10.448 -5.054 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 198 -8.872 -5.751 -1.023 1.00 0.00 H new ATOM 880 N LEU A 199 -8.037 -6.694 -4.485 1.00 0.00 N ATOM 881 CA LEU A 199 -6.752 -7.170 -5.072 1.00 0.00 C ATOM 882 C LEU A 199 -5.586 -6.383 -4.469 1.00 0.00 C ATOM 883 O LEU A 199 -5.640 -5.177 -4.334 1.00 0.00 O ATOM 884 CB LEU A 199 -6.776 -6.965 -6.587 1.00 0.00 C ATOM 885 CG LEU A 199 -7.424 -8.178 -7.255 1.00 0.00 C ATOM 886 CD1 LEU A 199 -8.712 -7.748 -7.960 1.00 0.00 C ATOM 887 CD2 LEU A 199 -6.456 -8.773 -8.279 1.00 0.00 C ATOM 0 H LEU A 199 -8.547 -6.015 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 199 -6.625 -8.230 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 199 -7.332 -6.060 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 199 -5.762 -6.828 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 199 -7.659 -8.926 -6.498 1.00 0.00 H new ATOM 0 HD11 LEU A 199 -9.173 -8.614 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 199 -9.402 -7.325 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 199 -8.480 -6.999 -8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 199 -6.917 -9.638 -8.756 1.00 0.00 H new ATOM 0 HD22 LEU A 199 -6.221 -8.024 -9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 199 -5.539 -9.082 -7.777 1.00 0.00 H new ATOM 899 N LEU A 200 -4.531 -7.060 -4.106 1.00 0.00 N ATOM 900 CA LEU A 200 -3.358 -6.360 -3.511 1.00 0.00 C ATOM 901 C LEU A 200 -2.074 -6.957 -4.086 1.00 0.00 C ATOM 902 O LEU A 200 -2.107 -7.812 -4.948 1.00 0.00 O ATOM 903 CB LEU A 200 -3.337 -6.549 -1.987 1.00 0.00 C ATOM 904 CG LEU A 200 -4.641 -7.188 -1.495 1.00 0.00 C ATOM 905 CD1 LEU A 200 -4.423 -7.785 -0.104 1.00 0.00 C ATOM 906 CD2 LEU A 200 -5.728 -6.117 -1.418 1.00 0.00 C ATOM 0 H LEU A 200 -4.431 -8.071 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.430 -5.298 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -2.491 -7.177 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.194 -5.585 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.945 -7.974 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.350 -8.239 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.642 -8.544 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -4.121 -6.998 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.658 -6.566 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.420 -5.335 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.883 -5.684 -2.406 1.00 0.00 H new ATOM 918 N ASN A 201 -0.941 -6.536 -3.593 1.00 0.00 N ATOM 919 CA ASN A 201 0.337 -7.114 -4.099 1.00 0.00 C ATOM 920 C ASN A 201 0.402 -8.560 -3.626 1.00 0.00 C ATOM 921 O ASN A 201 0.866 -9.440 -4.323 1.00 0.00 O ATOM 922 CB ASN A 201 1.548 -6.350 -3.542 1.00 0.00 C ATOM 923 CG ASN A 201 1.131 -4.964 -3.050 1.00 0.00 C ATOM 924 OD1 ASN A 201 1.285 -4.671 -1.791 1.00 0.00 O flip ATOM 925 ND2 ASN A 201 0.660 -4.147 -3.816 1.00 0.00 N flip ATOM 0 H ASN A 201 -0.845 -5.824 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 201 0.365 -7.045 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 201 1.995 -6.913 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 201 2.310 -6.253 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 201 0.541 -4.381 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 201 0.383 -3.227 -3.473 1.00 0.00 H new ATOM 932 N PHE A 202 -0.084 -8.808 -2.439 1.00 0.00 N ATOM 933 CA PHE A 202 -0.079 -10.191 -1.896 1.00 0.00 C ATOM 934 C PHE A 202 -1.528 -10.619 -1.634 1.00 0.00 C ATOM 935 O PHE A 202 -1.976 -10.629 -0.506 1.00 0.00 O ATOM 936 CB PHE A 202 0.712 -10.214 -0.587 1.00 0.00 C ATOM 937 CG PHE A 202 2.040 -9.532 -0.794 1.00 0.00 C ATOM 938 CD1 PHE A 202 2.668 -9.588 -2.043 1.00 0.00 C ATOM 939 CD2 PHE A 202 2.648 -8.847 0.264 1.00 0.00 C ATOM 940 CE1 PHE A 202 3.903 -8.958 -2.235 1.00 0.00 C ATOM 941 CE2 PHE A 202 3.883 -8.217 0.075 1.00 0.00 C ATOM 942 CZ PHE A 202 4.512 -8.272 -1.177 1.00 0.00 C ATOM 0 H PHE A 202 -0.487 -8.104 -1.820 1.00 0.00 H new ATOM 0 HA PHE A 202 0.384 -10.875 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 202 0.150 -9.710 0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 202 0.866 -11.242 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 202 2.200 -10.118 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 202 2.163 -8.805 1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 202 4.387 -9.001 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 202 4.351 -7.689 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 202 5.465 -7.786 -1.325 1.00 0.00 H new ATOM 952 N PRO A 203 -2.219 -10.947 -2.697 1.00 0.00 N ATOM 953 CA PRO A 203 -3.630 -11.369 -2.629 1.00 0.00 C ATOM 954 C PRO A 203 -3.744 -12.802 -2.104 1.00 0.00 C ATOM 955 O PRO A 203 -2.785 -13.549 -2.090 1.00 0.00 O ATOM 956 CB PRO A 203 -4.103 -11.279 -4.082 1.00 0.00 C ATOM 957 CG PRO A 203 -2.833 -11.365 -4.959 1.00 0.00 C ATOM 958 CD PRO A 203 -1.656 -10.938 -4.064 1.00 0.00 C ATOM 0 HA PRO A 203 -4.225 -10.756 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 203 -4.793 -12.089 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 203 -4.636 -10.345 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 203 -2.688 -12.378 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 203 -2.916 -10.712 -5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 203 -0.817 -11.628 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 203 -1.287 -9.949 -4.336 1.00 0.00 H new