USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 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 198 CYS SG : rot 128:sc= -1.22 USER MOD Set 1.2: A 218 CYS SG : rot 163:sc= -1.16! USER MOD Single : A 149 SER OG : rot 180:sc= -1.86 USER MOD Single : A 155 GLN : amide:sc= -4.41! C(o=-4.4!,f=-14!) USER MOD Single : A 164 TYR OH : rot -65:sc= -1.1 USER MOD Single : A 169 TYR OH : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 THR OG1 : rot 82:sc= -0.916 USER MOD Single : A 186 THR OG1 : rot -37:sc= 0.702 USER MOD Single : A 188 THR OG1 : rot 180:sc= 0 USER MOD Single : A 192 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.4!) USER MOD Single : A 193 ASN : amide:sc= -4.64! X(o=-4.6!,f=-4.5) USER MOD Single : A 195 ASN : amide:sc= -1.82 K(o=-1.8,f=-4.5!) USER MOD Single : A 199 LYS NZ :NH3+ -117:sc= 0 (180deg=-1.3!) USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0.344 USER MOD Single : A 214 MET CE :methyl 159:sc= -6.27! (180deg=-7.3!) USER MOD Single : A 215 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 149 -12.209 6.217 6.987 1.00 0.00 N ATOM 16 CA SER A 149 -11.475 5.125 7.605 1.00 0.00 C ATOM 17 C SER A 149 -10.425 4.584 6.634 1.00 0.00 C ATOM 18 O SER A 149 -10.763 3.919 5.656 1.00 0.00 O ATOM 19 CB SER A 149 -12.422 4.005 8.043 1.00 0.00 C ATOM 20 OG SER A 149 -11.860 3.208 9.083 1.00 0.00 O ATOM 0 HA SER A 149 -10.974 5.509 8.493 1.00 0.00 H new ATOM 0 HB2 SER A 149 -13.362 4.438 8.385 1.00 0.00 H new ATOM 0 HB3 SER A 149 -12.656 3.372 7.187 1.00 0.00 H new ATOM 0 HG SER A 149 -12.495 2.506 9.336 1.00 0.00 H new ATOM 26 N ILE A 150 -9.171 4.888 6.938 1.00 0.00 N ATOM 27 CA ILE A 150 -8.069 4.441 6.103 1.00 0.00 C ATOM 28 C ILE A 150 -7.717 2.996 6.465 1.00 0.00 C ATOM 29 O ILE A 150 -7.058 2.303 5.692 1.00 0.00 O ATOM 30 CB ILE A 150 -6.889 5.408 6.212 1.00 0.00 C ATOM 31 CG1 ILE A 150 -7.361 6.860 6.141 1.00 0.00 C ATOM 32 CG2 ILE A 150 -5.828 5.096 5.154 1.00 0.00 C ATOM 33 CD1 ILE A 150 -7.575 7.297 4.690 1.00 0.00 C ATOM 0 H ILE A 150 -8.894 5.438 7.751 1.00 0.00 H new ATOM 0 HA ILE A 150 -8.358 4.446 5.052 1.00 0.00 H new ATOM 0 HB ILE A 150 -6.422 5.271 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.291 6.972 6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.625 7.509 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -4.999 5.797 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -5.462 4.079 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -6.266 5.189 4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -7.911 8.334 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.638 7.207 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -8.329 6.662 4.226 1.00 0.00 H new ATOM 45 N LEU A 151 -8.174 2.584 7.638 1.00 0.00 N ATOM 46 CA LEU A 151 -7.914 1.235 8.111 1.00 0.00 C ATOM 47 C LEU A 151 -8.621 0.235 7.195 1.00 0.00 C ATOM 48 O LEU A 151 -8.139 -0.880 6.996 1.00 0.00 O ATOM 49 CB LEU A 151 -8.302 1.099 9.584 1.00 0.00 C ATOM 50 CG LEU A 151 -9.789 1.260 9.905 1.00 0.00 C ATOM 51 CD1 LEU A 151 -10.436 -0.095 10.197 1.00 0.00 C ATOM 52 CD2 LEU A 151 -10.000 2.255 11.048 1.00 0.00 C ATOM 0 H LEU A 151 -8.723 3.161 8.275 1.00 0.00 H new ATOM 0 HA LEU A 151 -6.848 1.014 8.065 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -7.979 0.119 9.935 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -7.745 1.841 10.156 1.00 0.00 H new ATOM 0 HG LEU A 151 -10.285 1.671 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.493 0.047 10.422 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -10.335 -0.742 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -9.942 -0.557 11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.066 2.350 11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -9.487 1.898 11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -9.597 3.227 10.763 1.00 0.00 H new ATOM 64 N ASP A 152 -9.754 0.667 6.660 1.00 0.00 N ATOM 65 CA ASP A 152 -10.532 -0.176 5.770 1.00 0.00 C ATOM 66 C ASP A 152 -9.779 -0.349 4.449 1.00 0.00 C ATOM 67 O ASP A 152 -10.041 -1.287 3.698 1.00 0.00 O ATOM 68 CB ASP A 152 -11.891 0.453 5.460 1.00 0.00 C ATOM 69 CG ASP A 152 -12.772 -0.346 4.499 1.00 0.00 C ATOM 70 OD1 ASP A 152 -12.827 -1.582 4.562 1.00 0.00 O ATOM 71 OD2 ASP A 152 -13.429 0.363 3.644 1.00 0.00 O ATOM 0 H ASP A 152 -10.152 1.591 6.827 1.00 0.00 H new ATOM 0 HA ASP A 152 -10.684 -1.135 6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -12.433 0.590 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -11.727 1.445 5.039 1.00 0.00 H new ATOM 77 N ILE A 153 -8.858 0.572 4.205 1.00 0.00 N ATOM 78 CA ILE A 153 -8.065 0.534 2.989 1.00 0.00 C ATOM 79 C ILE A 153 -6.966 -0.521 3.134 1.00 0.00 C ATOM 80 O ILE A 153 -5.788 -0.183 3.249 1.00 0.00 O ATOM 81 CB ILE A 153 -7.537 1.930 2.650 1.00 0.00 C ATOM 82 CG1 ILE A 153 -8.674 2.854 2.213 1.00 0.00 C ATOM 83 CG2 ILE A 153 -6.424 1.855 1.603 1.00 0.00 C ATOM 84 CD1 ILE A 153 -9.817 2.839 3.229 1.00 0.00 C ATOM 0 H ILE A 153 -8.644 1.349 4.830 1.00 0.00 H new ATOM 0 HA ILE A 153 -8.682 0.237 2.141 1.00 0.00 H new ATOM 0 HB ILE A 153 -7.102 2.360 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 153 -8.297 3.871 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 153 -9.046 2.541 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 153 -6.066 2.860 1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 153 -5.601 1.254 1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 153 -6.811 1.397 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 153 -10.612 3.505 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 153 -10.208 1.826 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 153 -9.447 3.176 4.198 1.00 0.00 H new ATOM 96 N ARG A 154 -7.390 -1.776 3.123 1.00 0.00 N ATOM 97 CA ARG A 154 -6.457 -2.882 3.252 1.00 0.00 C ATOM 98 C ARG A 154 -6.351 -3.645 1.929 1.00 0.00 C ATOM 99 O ARG A 154 -7.241 -3.555 1.085 1.00 0.00 O ATOM 100 CB ARG A 154 -6.895 -3.846 4.356 1.00 0.00 C ATOM 101 CG ARG A 154 -8.328 -4.331 4.122 1.00 0.00 C ATOM 102 CD ARG A 154 -8.508 -5.766 4.621 1.00 0.00 C ATOM 103 NE ARG A 154 -9.738 -5.867 5.439 1.00 0.00 N ATOM 104 CZ ARG A 154 -9.875 -5.324 6.668 1.00 0.00 C ATOM 105 NH1 ARG A 154 -8.860 -4.635 7.231 1.00 0.00 N ATOM 106 NH2 ARG A 154 -11.019 -5.475 7.311 1.00 0.00 N ATOM 0 H ARG A 154 -8.367 -2.051 3.027 1.00 0.00 H new ATOM 0 HA ARG A 154 -5.484 -2.466 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 154 -6.219 -4.700 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 154 -6.828 -3.350 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 154 -9.028 -3.672 4.637 1.00 0.00 H new ATOM 0 HG3 ARG A 154 -8.565 -4.279 3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 154 -8.567 -6.450 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 154 -7.643 -6.065 5.212 1.00 0.00 H new ATOM 0 HE ARG A 154 -10.531 -6.378 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 154 -7.980 -4.521 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 154 -8.973 -4.228 8.160 1.00 0.00 H new ATOM 0 HH21 ARG A 154 -11.782 -5.995 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 154 -11.139 -5.071 8.240 1.00 0.00 H new ATOM 120 N GLN A 155 -5.257 -4.378 1.791 1.00 0.00 N ATOM 121 CA GLN A 155 -5.024 -5.156 0.587 1.00 0.00 C ATOM 122 C GLN A 155 -5.572 -6.574 0.756 1.00 0.00 C ATOM 123 O GLN A 155 -4.906 -7.437 1.325 1.00 0.00 O ATOM 124 CB GLN A 155 -3.537 -5.182 0.229 1.00 0.00 C ATOM 125 CG GLN A 155 -2.684 -5.525 1.453 1.00 0.00 C ATOM 126 CD GLN A 155 -1.266 -5.920 1.041 1.00 0.00 C ATOM 127 OE1 GLN A 155 -0.279 -5.373 1.508 1.00 0.00 O ATOM 128 NE2 GLN A 155 -1.217 -6.899 0.140 1.00 0.00 N ATOM 0 H GLN A 155 -4.521 -4.450 2.494 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.554 -4.679 -0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.362 -5.915 -0.558 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -3.238 -4.212 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -2.645 -4.668 2.125 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -3.147 -6.343 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -2.081 -7.314 -0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -0.316 -7.234 -0.200 1.00 0.00 H new ATOM 196 N PRO A 160 -5.635 -5.582 -5.730 1.00 0.00 N ATOM 197 CA PRO A 160 -4.352 -5.078 -6.190 1.00 0.00 C ATOM 198 C PRO A 160 -3.925 -3.850 -5.382 1.00 0.00 C ATOM 199 O PRO A 160 -4.745 -3.235 -4.702 1.00 0.00 O ATOM 200 CB PRO A 160 -4.553 -4.776 -7.666 1.00 0.00 C ATOM 201 CG PRO A 160 -6.057 -4.683 -7.871 1.00 0.00 C ATOM 202 CD PRO A 160 -6.733 -5.263 -6.640 1.00 0.00 C ATOM 0 HA PRO A 160 -3.544 -5.796 -6.051 1.00 0.00 H new ATOM 0 HB2 PRO A 160 -4.062 -3.843 -7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 160 -4.122 -5.561 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 160 -6.358 -3.646 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 160 -6.355 -5.232 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 160 -7.423 -4.547 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 160 -7.313 -6.152 -6.888 1.00 0.00 H new ATOM 210 N PHE A 161 -2.643 -3.531 -5.483 1.00 0.00 N ATOM 211 CA PHE A 161 -2.098 -2.388 -4.772 1.00 0.00 C ATOM 212 C PHE A 161 -2.619 -1.075 -5.361 1.00 0.00 C ATOM 213 O PHE A 161 -2.717 -0.071 -4.656 1.00 0.00 O ATOM 214 CB PHE A 161 -0.578 -2.441 -4.939 1.00 0.00 C ATOM 215 CG PHE A 161 0.184 -1.508 -3.996 1.00 0.00 C ATOM 216 CD1 PHE A 161 0.028 -1.626 -2.649 1.00 0.00 C ATOM 217 CD2 PHE A 161 1.017 -0.561 -4.502 1.00 0.00 C ATOM 218 CE1 PHE A 161 0.736 -0.761 -1.774 1.00 0.00 C ATOM 219 CE2 PHE A 161 1.725 0.305 -3.626 1.00 0.00 C ATOM 220 CZ PHE A 161 1.570 0.187 -2.281 1.00 0.00 C ATOM 0 H PHE A 161 -1.966 -4.045 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 161 -2.394 -2.427 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 161 -0.240 -3.464 -4.773 1.00 0.00 H new ATOM 0 HB3 PHE A 161 -0.327 -2.185 -5.968 1.00 0.00 H new ATOM 0 HD1 PHE A 161 -0.634 -2.378 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 161 1.141 -0.467 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 161 0.613 -0.855 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 161 2.387 1.057 -4.029 1.00 0.00 H new ATOM 0 HZ PHE A 161 2.108 0.845 -1.615 1.00 0.00 H new ATOM 230 N ARG A 162 -2.939 -1.125 -6.645 1.00 0.00 N ATOM 231 CA ARG A 162 -3.447 0.047 -7.336 1.00 0.00 C ATOM 232 C ARG A 162 -4.777 0.492 -6.720 1.00 0.00 C ATOM 233 O ARG A 162 -4.975 1.675 -6.450 1.00 0.00 O ATOM 234 CB ARG A 162 -3.654 -0.237 -8.826 1.00 0.00 C ATOM 235 CG ARG A 162 -3.290 0.984 -9.673 1.00 0.00 C ATOM 236 CD ARG A 162 -4.067 0.987 -10.990 1.00 0.00 C ATOM 237 NE ARG A 162 -3.401 1.879 -11.967 1.00 0.00 N ATOM 238 CZ ARG A 162 -3.822 2.059 -13.237 1.00 0.00 C ATOM 239 NH1 ARG A 162 -4.913 1.409 -13.695 1.00 0.00 N ATOM 240 NH2 ARG A 162 -3.153 2.880 -14.024 1.00 0.00 N ATOM 0 H ARG A 162 -2.856 -1.960 -7.225 1.00 0.00 H new ATOM 0 HA ARG A 162 -2.708 0.841 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -3.042 -1.088 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -4.693 -0.512 -9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.507 1.895 -9.116 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.219 0.983 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -4.126 -0.025 -11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.090 1.321 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 162 -2.572 2.389 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -5.425 0.777 -13.080 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -5.225 1.550 -14.656 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -2.330 3.368 -13.670 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -3.459 3.026 -14.986 1.00 0.00 H new ATOM 254 N ASP A 163 -5.653 -0.482 -6.518 1.00 0.00 N ATOM 255 CA ASP A 163 -6.957 -0.206 -5.940 1.00 0.00 C ATOM 256 C ASP A 163 -6.787 0.184 -4.470 1.00 0.00 C ATOM 257 O ASP A 163 -7.552 0.992 -3.946 1.00 0.00 O ATOM 258 CB ASP A 163 -7.859 -1.440 -6.000 1.00 0.00 C ATOM 259 CG ASP A 163 -8.025 -2.053 -7.392 1.00 0.00 C ATOM 260 OD1 ASP A 163 -7.390 -1.615 -8.362 1.00 0.00 O ATOM 261 OD2 ASP A 163 -8.860 -3.033 -7.460 1.00 0.00 O ATOM 0 H ASP A 163 -5.485 -1.462 -6.744 1.00 0.00 H new ATOM 0 HA ASP A 163 -7.414 0.603 -6.511 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -7.455 -2.200 -5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -8.844 -1.170 -5.618 1.00 0.00 H new ATOM 267 N TYR A 164 -5.778 -0.408 -3.848 1.00 0.00 N ATOM 268 CA TYR A 164 -5.497 -0.132 -2.448 1.00 0.00 C ATOM 269 C TYR A 164 -5.007 1.306 -2.260 1.00 0.00 C ATOM 270 O TYR A 164 -5.369 1.966 -1.288 1.00 0.00 O ATOM 271 CB TYR A 164 -4.379 -1.096 -2.045 1.00 0.00 C ATOM 272 CG TYR A 164 -3.923 -0.947 -0.591 1.00 0.00 C ATOM 273 CD1 TYR A 164 -3.278 0.203 -0.187 1.00 0.00 C ATOM 274 CD2 TYR A 164 -4.158 -1.962 0.312 1.00 0.00 C ATOM 275 CE1 TYR A 164 -2.848 0.344 1.181 1.00 0.00 C ATOM 276 CE2 TYR A 164 -3.729 -1.821 1.679 1.00 0.00 C ATOM 277 CZ TYR A 164 -3.095 -0.676 2.046 1.00 0.00 C ATOM 278 OH TYR A 164 -2.690 -0.543 3.339 1.00 0.00 O ATOM 0 H TYR A 164 -5.145 -1.077 -4.287 1.00 0.00 H new ATOM 0 HA TYR A 164 -6.396 -0.257 -1.844 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -4.720 -2.119 -2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -3.523 -0.939 -2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -3.095 0.997 -0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -4.663 -2.862 -0.006 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -2.341 1.239 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -3.907 -2.608 2.397 1.00 0.00 H new ATOM 0 HH TYR A 164 -1.711 -0.510 3.373 1.00 0.00 H new ATOM 288 N VAL A 165 -4.192 1.747 -3.207 1.00 0.00 N ATOM 289 CA VAL A 165 -3.649 3.094 -3.158 1.00 0.00 C ATOM 290 C VAL A 165 -4.772 4.101 -3.413 1.00 0.00 C ATOM 291 O VAL A 165 -4.893 5.097 -2.699 1.00 0.00 O ATOM 292 CB VAL A 165 -2.489 3.228 -4.146 1.00 0.00 C ATOM 293 CG1 VAL A 165 -2.328 4.677 -4.608 1.00 0.00 C ATOM 294 CG2 VAL A 165 -1.188 2.698 -3.539 1.00 0.00 C ATOM 0 H VAL A 165 -3.895 1.196 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 165 -3.241 3.305 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 165 -2.722 2.621 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 165 -1.497 4.745 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 165 -3.244 5.007 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 165 -2.128 5.314 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 165 -0.379 2.805 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 165 -0.948 3.266 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 165 -1.309 1.646 -3.282 1.00 0.00 H new ATOM 304 N ASP A 166 -5.564 3.809 -4.433 1.00 0.00 N ATOM 305 CA ASP A 166 -6.674 4.677 -4.793 1.00 0.00 C ATOM 306 C ASP A 166 -7.622 4.806 -3.599 1.00 0.00 C ATOM 307 O ASP A 166 -8.108 5.895 -3.302 1.00 0.00 O ATOM 308 CB ASP A 166 -7.466 4.100 -5.967 1.00 0.00 C ATOM 309 CG ASP A 166 -7.009 4.573 -7.350 1.00 0.00 C ATOM 310 OD1 ASP A 166 -6.416 5.652 -7.492 1.00 0.00 O ATOM 311 OD2 ASP A 166 -7.289 3.769 -8.319 1.00 0.00 O ATOM 0 H ASP A 166 -5.460 2.983 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 166 -6.266 5.647 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -7.400 3.013 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -8.517 4.360 -5.840 1.00 0.00 H new ATOM 317 N ARG A 167 -7.858 3.676 -2.947 1.00 0.00 N ATOM 318 CA ARG A 167 -8.740 3.649 -1.794 1.00 0.00 C ATOM 319 C ARG A 167 -8.130 4.444 -0.638 1.00 0.00 C ATOM 320 O ARG A 167 -8.827 5.197 0.039 1.00 0.00 O ATOM 321 CB ARG A 167 -8.999 2.212 -1.333 1.00 0.00 C ATOM 322 CG ARG A 167 -10.444 2.041 -0.860 1.00 0.00 C ATOM 323 CD ARG A 167 -10.726 0.587 -0.473 1.00 0.00 C ATOM 324 NE ARG A 167 -11.323 -0.135 -1.618 1.00 0.00 N ATOM 325 CZ ARG A 167 -12.636 -0.107 -1.929 1.00 0.00 C ATOM 326 NH1 ARG A 167 -13.502 0.609 -1.180 1.00 0.00 N ATOM 327 NH2 ARG A 167 -13.062 -0.790 -2.975 1.00 0.00 N ATOM 0 H ARG A 167 -7.453 2.773 -3.196 1.00 0.00 H new ATOM 0 HA ARG A 167 -9.686 4.101 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 167 -8.796 1.521 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 167 -8.315 1.957 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -10.630 2.691 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -11.128 2.350 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 167 -9.801 0.098 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 167 -11.403 0.554 0.381 1.00 0.00 H new ATOM 0 HE ARG A 167 -10.703 -0.689 -2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 167 -13.165 1.134 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 167 -14.493 0.625 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 167 -12.402 -1.329 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 167 -14.051 -0.779 -3.223 1.00 0.00 H new ATOM 341 N PHE A 168 -6.832 4.251 -0.450 1.00 0.00 N ATOM 342 CA PHE A 168 -6.119 4.941 0.611 1.00 0.00 C ATOM 343 C PHE A 168 -6.206 6.459 0.432 1.00 0.00 C ATOM 344 O PHE A 168 -6.496 7.184 1.383 1.00 0.00 O ATOM 345 CB PHE A 168 -4.653 4.513 0.518 1.00 0.00 C ATOM 346 CG PHE A 168 -3.777 5.038 1.657 1.00 0.00 C ATOM 347 CD1 PHE A 168 -3.162 6.245 1.540 1.00 0.00 C ATOM 348 CD2 PHE A 168 -3.616 4.297 2.787 1.00 0.00 C ATOM 349 CE1 PHE A 168 -2.350 6.732 2.599 1.00 0.00 C ATOM 350 CE2 PHE A 168 -2.802 4.786 3.844 1.00 0.00 C ATOM 351 CZ PHE A 168 -2.187 5.993 3.728 1.00 0.00 C ATOM 0 H PHE A 168 -6.256 3.627 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 168 -6.556 4.689 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 168 -4.603 3.424 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 168 -4.244 4.860 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 168 -3.291 6.833 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 168 -4.106 3.339 2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 168 -1.862 7.691 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 168 -2.672 4.198 4.741 1.00 0.00 H new ATOM 0 HZ PHE A 168 -1.569 6.364 4.532 1.00 0.00 H new ATOM 361 N TYR A 169 -5.949 6.894 -0.793 1.00 0.00 N ATOM 362 CA TYR A 169 -5.995 8.312 -1.108 1.00 0.00 C ATOM 363 C TYR A 169 -7.439 8.811 -1.180 1.00 0.00 C ATOM 364 O TYR A 169 -7.696 10.005 -1.030 1.00 0.00 O ATOM 365 CB TYR A 169 -5.347 8.458 -2.486 1.00 0.00 C ATOM 366 CG TYR A 169 -3.817 8.411 -2.463 1.00 0.00 C ATOM 367 CD1 TYR A 169 -3.170 7.387 -1.804 1.00 0.00 C ATOM 368 CD2 TYR A 169 -3.088 9.393 -3.102 1.00 0.00 C ATOM 369 CE1 TYR A 169 -1.731 7.342 -1.781 1.00 0.00 C ATOM 370 CE2 TYR A 169 -1.648 9.348 -3.079 1.00 0.00 C ATOM 371 CZ TYR A 169 -1.041 8.324 -2.421 1.00 0.00 C ATOM 372 OH TYR A 169 0.318 8.284 -2.400 1.00 0.00 O ATOM 0 H TYR A 169 -5.708 6.290 -1.579 1.00 0.00 H new ATOM 0 HA TYR A 169 -5.482 8.893 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -5.715 7.663 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -5.665 9.403 -2.927 1.00 0.00 H new ATOM 0 HD1 TYR A 169 -3.742 6.619 -1.305 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -3.596 10.194 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 169 -1.211 6.547 -1.267 1.00 0.00 H new ATOM 0 HE2 TYR A 169 -1.064 10.110 -3.573 1.00 0.00 H new ATOM 0 HH TYR A 169 0.676 9.048 -2.899 1.00 0.00 H new ATOM 382 N LYS A 170 -8.345 7.873 -1.412 1.00 0.00 N ATOM 383 CA LYS A 170 -9.756 8.202 -1.507 1.00 0.00 C ATOM 384 C LYS A 170 -10.300 8.514 -0.110 1.00 0.00 C ATOM 385 O LYS A 170 -11.030 9.485 0.074 1.00 0.00 O ATOM 386 CB LYS A 170 -10.520 7.089 -2.227 1.00 0.00 C ATOM 387 CG LYS A 170 -10.669 7.402 -3.717 1.00 0.00 C ATOM 388 CD LYS A 170 -11.605 6.401 -4.398 1.00 0.00 C ATOM 389 CE LYS A 170 -10.864 5.597 -5.468 1.00 0.00 C ATOM 390 NZ LYS A 170 -11.797 5.159 -6.528 1.00 0.00 N ATOM 0 H LYS A 170 -8.129 6.884 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.896 9.098 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -9.995 6.142 -2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -11.505 6.969 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -11.058 8.412 -3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -9.691 7.375 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -12.022 5.723 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -12.442 6.931 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -10.070 6.205 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -10.388 4.728 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -11.277 4.615 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -12.540 4.562 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -12.232 5.992 -6.974 1.00 0.00 H new ATOM 404 N THR A 171 -9.919 7.670 0.839 1.00 0.00 N ATOM 405 CA THR A 171 -10.356 7.844 2.214 1.00 0.00 C ATOM 406 C THR A 171 -9.615 9.012 2.866 1.00 0.00 C ATOM 407 O THR A 171 -10.182 9.729 3.689 1.00 0.00 O ATOM 408 CB THR A 171 -10.159 6.514 2.944 1.00 0.00 C ATOM 409 OG1 THR A 171 -11.053 5.620 2.287 1.00 0.00 O ATOM 410 CG2 THR A 171 -10.666 6.557 4.388 1.00 0.00 C ATOM 0 H THR A 171 -9.313 6.865 0.682 1.00 0.00 H new ATOM 0 HA THR A 171 -11.413 8.105 2.263 1.00 0.00 H new ATOM 0 HB THR A 171 -9.101 6.251 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 171 -10.638 5.289 1.463 1.00 0.00 H new ATOM 0 HG21 THR A 171 -10.502 5.588 4.860 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.126 7.326 4.940 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.731 6.787 4.393 1.00 0.00 H new ATOM 418 N LEU A 172 -8.360 9.168 2.474 1.00 0.00 N ATOM 419 CA LEU A 172 -7.534 10.237 3.011 1.00 0.00 C ATOM 420 C LEU A 172 -8.226 11.579 2.767 1.00 0.00 C ATOM 421 O LEU A 172 -8.211 12.456 3.631 1.00 0.00 O ATOM 422 CB LEU A 172 -6.119 10.161 2.437 1.00 0.00 C ATOM 423 CG LEU A 172 -5.737 11.262 1.446 1.00 0.00 C ATOM 424 CD1 LEU A 172 -5.724 12.632 2.127 1.00 0.00 C ATOM 425 CD2 LEU A 172 -4.404 10.948 0.763 1.00 0.00 C ATOM 0 H LEU A 172 -7.894 8.572 1.790 1.00 0.00 H new ATOM 0 HA LEU A 172 -7.421 10.127 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 172 -5.411 10.183 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 172 -6.000 9.197 1.942 1.00 0.00 H new ATOM 0 HG LEU A 172 -6.497 11.298 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 172 -5.449 13.397 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 172 -6.715 12.849 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 172 -4.998 12.627 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 172 -4.156 11.747 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 172 -3.619 10.868 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 172 -4.485 10.005 0.222 1.00 0.00 H new ATOM 437 N ARG A 173 -8.816 11.699 1.587 1.00 0.00 N ATOM 438 CA ARG A 173 -9.513 12.921 1.219 1.00 0.00 C ATOM 439 C ARG A 173 -10.637 13.212 2.215 1.00 0.00 C ATOM 440 O ARG A 173 -11.033 14.363 2.390 1.00 0.00 O ATOM 441 CB ARG A 173 -10.103 12.815 -0.188 1.00 0.00 C ATOM 442 CG ARG A 173 -9.273 13.619 -1.193 1.00 0.00 C ATOM 443 CD ARG A 173 -8.787 12.730 -2.339 1.00 0.00 C ATOM 444 NE ARG A 173 -9.525 13.057 -3.580 1.00 0.00 N ATOM 445 CZ ARG A 173 -9.561 14.286 -4.137 1.00 0.00 C ATOM 446 NH1 ARG A 173 -8.901 15.317 -3.568 1.00 0.00 N ATOM 447 NH2 ARG A 173 -10.252 14.465 -5.247 1.00 0.00 N ATOM 0 H ARG A 173 -8.826 10.971 0.873 1.00 0.00 H new ATOM 0 HA ARG A 173 -8.788 13.735 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 173 -10.138 11.769 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 173 -11.130 13.180 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 173 -9.872 14.438 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 173 -8.417 14.067 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 173 -7.718 12.873 -2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 173 -8.934 11.681 -2.084 1.00 0.00 H new ATOM 0 HE ARG A 173 -10.038 12.307 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 173 -8.369 15.171 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 173 -8.934 16.242 -3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 173 -10.748 13.681 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 173 -10.290 15.387 -5.681 1.00 0.00 H new ATOM 461 N ALA A 174 -11.117 12.150 2.844 1.00 0.00 N ATOM 462 CA ALA A 174 -12.188 12.276 3.818 1.00 0.00 C ATOM 463 C ALA A 174 -11.597 12.221 5.228 1.00 0.00 C ATOM 464 O ALA A 174 -12.320 12.008 6.200 1.00 0.00 O ATOM 465 CB ALA A 174 -13.229 11.181 3.579 1.00 0.00 C ATOM 0 H ALA A 174 -10.784 11.197 2.698 1.00 0.00 H new ATOM 0 HA ALA A 174 -12.694 13.235 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -14.032 11.276 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -13.639 11.282 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -12.759 10.203 3.682 1.00 0.00 H new ATOM 630 N THR A 186 1.476 9.093 6.070 1.00 0.00 N ATOM 631 CA THR A 186 0.560 8.427 5.160 1.00 0.00 C ATOM 632 C THR A 186 1.175 7.124 4.642 1.00 0.00 C ATOM 633 O THR A 186 0.587 6.054 4.790 1.00 0.00 O ATOM 634 CB THR A 186 0.199 9.412 4.046 1.00 0.00 C ATOM 635 OG1 THR A 186 1.449 9.983 3.669 1.00 0.00 O ATOM 636 CG2 THR A 186 -0.613 10.603 4.559 1.00 0.00 C ATOM 0 HA THR A 186 -0.360 8.137 5.668 1.00 0.00 H new ATOM 0 HB THR A 186 -0.366 8.893 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 186 2.011 10.095 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 186 -0.843 11.271 3.729 1.00 0.00 H new ATOM 0 HG22 THR A 186 -1.541 10.246 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 186 -0.034 11.142 5.309 1.00 0.00 H new ATOM 644 N GLU A 187 2.351 7.259 4.047 1.00 0.00 N ATOM 645 CA GLU A 187 3.052 6.106 3.508 1.00 0.00 C ATOM 646 C GLU A 187 3.158 5.006 4.566 1.00 0.00 C ATOM 647 O GLU A 187 3.054 3.822 4.248 1.00 0.00 O ATOM 648 CB GLU A 187 4.435 6.500 2.986 1.00 0.00 C ATOM 649 CG GLU A 187 5.237 5.264 2.570 1.00 0.00 C ATOM 650 CD GLU A 187 6.000 5.520 1.268 1.00 0.00 C ATOM 651 OE1 GLU A 187 5.503 6.239 0.389 1.00 0.00 O ATOM 652 OE2 GLU A 187 7.149 4.940 1.189 1.00 0.00 O ATOM 0 H GLU A 187 2.836 8.148 3.926 1.00 0.00 H new ATOM 0 HA GLU A 187 2.479 5.718 2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 187 4.328 7.172 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 187 4.977 7.047 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 187 5.938 4.998 3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 187 4.565 4.416 2.441 1.00 0.00 H new ATOM 660 N THR A 188 3.364 5.436 5.802 1.00 0.00 N ATOM 661 CA THR A 188 3.485 4.502 6.909 1.00 0.00 C ATOM 662 C THR A 188 2.149 3.800 7.163 1.00 0.00 C ATOM 663 O THR A 188 2.121 2.638 7.566 1.00 0.00 O ATOM 664 CB THR A 188 4.006 5.273 8.123 1.00 0.00 C ATOM 665 OG1 THR A 188 5.353 4.829 8.265 1.00 0.00 O ATOM 666 CG2 THR A 188 3.331 4.841 9.426 1.00 0.00 C ATOM 0 H THR A 188 3.450 6.419 6.062 1.00 0.00 H new ATOM 0 HA THR A 188 4.196 3.708 6.680 1.00 0.00 H new ATOM 0 HB THR A 188 3.847 6.340 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 188 5.768 5.281 9.029 1.00 0.00 H new ATOM 0 HG21 THR A 188 3.738 5.419 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 188 2.257 5.015 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 188 3.516 3.781 9.598 1.00 0.00 H new ATOM 674 N LEU A 189 1.074 4.534 6.915 1.00 0.00 N ATOM 675 CA LEU A 189 -0.261 3.996 7.111 1.00 0.00 C ATOM 676 C LEU A 189 -0.589 3.030 5.972 1.00 0.00 C ATOM 677 O LEU A 189 -1.093 1.933 6.209 1.00 0.00 O ATOM 678 CB LEU A 189 -1.277 5.129 7.270 1.00 0.00 C ATOM 679 CG LEU A 189 -1.780 5.384 8.693 1.00 0.00 C ATOM 680 CD1 LEU A 189 -2.642 6.647 8.750 1.00 0.00 C ATOM 681 CD2 LEU A 189 -2.518 4.160 9.240 1.00 0.00 C ATOM 0 H LEU A 189 1.101 5.497 6.580 1.00 0.00 H new ATOM 0 HA LEU A 189 -0.309 3.424 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -0.828 6.048 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -2.136 4.912 6.636 1.00 0.00 H new ATOM 0 HG LEU A 189 -0.917 5.554 9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.987 6.806 9.772 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -2.052 7.505 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.502 6.531 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.865 4.367 10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.373 3.935 8.602 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -1.842 3.305 9.256 1.00 0.00 H new ATOM 693 N LEU A 190 -0.291 3.473 4.759 1.00 0.00 N ATOM 694 CA LEU A 190 -0.549 2.660 3.582 1.00 0.00 C ATOM 695 C LEU A 190 0.140 1.304 3.741 1.00 0.00 C ATOM 696 O LEU A 190 -0.452 0.265 3.455 1.00 0.00 O ATOM 697 CB LEU A 190 -0.140 3.413 2.313 1.00 0.00 C ATOM 698 CG LEU A 190 -0.255 2.629 1.004 1.00 0.00 C ATOM 699 CD1 LEU A 190 -1.483 3.072 0.206 1.00 0.00 C ATOM 700 CD2 LEU A 190 1.033 2.740 0.184 1.00 0.00 C ATOM 0 H LEU A 190 0.126 4.384 4.566 1.00 0.00 H new ATOM 0 HA LEU A 190 -1.616 2.464 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 190 -0.754 4.310 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 190 0.893 3.743 2.427 1.00 0.00 H new ATOM 0 HG LEU A 190 -0.392 1.575 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 190 -1.541 2.499 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 190 -2.383 2.899 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 190 -1.401 4.133 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 190 0.925 2.174 -0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 190 1.225 3.787 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 190 1.867 2.338 0.760 1.00 0.00 H new ATOM 712 N VAL A 191 1.382 1.359 4.201 1.00 0.00 N ATOM 713 CA VAL A 191 2.159 0.147 4.402 1.00 0.00 C ATOM 714 C VAL A 191 1.675 -0.558 5.672 1.00 0.00 C ATOM 715 O VAL A 191 1.457 -1.769 5.670 1.00 0.00 O ATOM 716 CB VAL A 191 3.651 0.480 4.436 1.00 0.00 C ATOM 717 CG1 VAL A 191 4.481 -0.750 4.806 1.00 0.00 C ATOM 718 CG2 VAL A 191 4.112 1.071 3.101 1.00 0.00 C ATOM 0 H VAL A 191 1.869 2.223 4.440 1.00 0.00 H new ATOM 0 HA VAL A 191 2.013 -0.542 3.570 1.00 0.00 H new ATOM 0 HB VAL A 191 3.807 1.233 5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 191 5.538 -0.484 4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 191 4.181 -1.108 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 191 4.316 -1.536 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.177 1.299 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 191 3.933 0.350 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 191 3.555 1.985 2.896 1.00 0.00 H new ATOM 728 N GLN A 192 1.522 0.231 6.725 1.00 0.00 N ATOM 729 CA GLN A 192 1.068 -0.304 7.999 1.00 0.00 C ATOM 730 C GLN A 192 -0.289 -0.991 7.833 1.00 0.00 C ATOM 731 O GLN A 192 -0.510 -2.073 8.376 1.00 0.00 O ATOM 732 CB GLN A 192 0.999 0.795 9.060 1.00 0.00 C ATOM 733 CG GLN A 192 0.336 0.282 10.339 1.00 0.00 C ATOM 734 CD GLN A 192 1.289 0.391 11.533 1.00 0.00 C ATOM 735 OE1 GLN A 192 2.282 1.097 11.503 1.00 0.00 O ATOM 736 NE2 GLN A 192 0.930 -0.345 12.580 1.00 0.00 N ATOM 0 H GLN A 192 1.704 1.235 6.723 1.00 0.00 H new ATOM 0 HA GLN A 192 1.790 -1.047 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 192 2.004 1.152 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 192 0.439 1.645 8.672 1.00 0.00 H new ATOM 0 HG2 GLN A 192 -0.570 0.855 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 192 0.033 -0.756 10.205 1.00 0.00 H new ATOM 0 HE21 GLN A 192 0.085 -0.914 12.537 1.00 0.00 H new ATOM 0 HE22 GLN A 192 1.500 -0.340 13.426 1.00 0.00 H new ATOM 745 N ASN A 193 -1.161 -0.336 7.081 1.00 0.00 N ATOM 746 CA ASN A 193 -2.489 -0.872 6.837 1.00 0.00 C ATOM 747 C ASN A 193 -2.405 -1.967 5.775 1.00 0.00 C ATOM 748 O ASN A 193 -3.421 -2.549 5.395 1.00 0.00 O ATOM 749 CB ASN A 193 -3.434 0.215 6.322 1.00 0.00 C ATOM 750 CG ASN A 193 -4.890 -0.117 6.664 1.00 0.00 C ATOM 751 OD1 ASN A 193 -5.205 -0.616 7.732 1.00 0.00 O ATOM 752 ND2 ASN A 193 -5.754 0.188 5.701 1.00 0.00 N ATOM 0 H ASN A 193 -0.974 0.561 6.633 1.00 0.00 H new ATOM 0 HA ASN A 193 -2.872 -1.267 7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 193 -3.163 1.175 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 193 -3.324 0.316 5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 193 -6.749 0.006 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 193 -5.422 0.604 4.831 1.00 0.00 H new ATOM 759 N ALA A 194 -1.185 -2.216 5.320 1.00 0.00 N ATOM 760 CA ALA A 194 -0.955 -3.233 4.308 1.00 0.00 C ATOM 761 C ALA A 194 -0.605 -4.557 4.991 1.00 0.00 C ATOM 762 O ALA A 194 -0.156 -4.570 6.136 1.00 0.00 O ATOM 763 CB ALA A 194 0.142 -2.762 3.351 1.00 0.00 C ATOM 0 H ALA A 194 -0.345 -1.730 5.634 1.00 0.00 H new ATOM 0 HA ALA A 194 -1.856 -3.396 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 194 0.315 -3.525 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -0.169 -1.835 2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 194 1.063 -2.590 3.909 1.00 0.00 H new ATOM 769 N ASN A 195 -0.826 -5.640 4.259 1.00 0.00 N ATOM 770 CA ASN A 195 -0.539 -6.965 4.779 1.00 0.00 C ATOM 771 C ASN A 195 0.850 -6.968 5.419 1.00 0.00 C ATOM 772 O ASN A 195 1.590 -5.991 5.312 1.00 0.00 O ATOM 773 CB ASN A 195 -0.547 -8.009 3.660 1.00 0.00 C ATOM 774 CG ASN A 195 -1.688 -9.010 3.851 1.00 0.00 C ATOM 775 OD1 ASN A 195 -2.533 -8.869 4.721 1.00 0.00 O ATOM 776 ND2 ASN A 195 -1.667 -10.025 2.993 1.00 0.00 N ATOM 0 H ASN A 195 -1.200 -5.626 3.310 1.00 0.00 H new ATOM 0 HA ASN A 195 -1.308 -7.214 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -0.652 -7.512 2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 195 0.406 -8.538 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.387 -10.746 3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -0.931 -10.083 2.289 1.00 0.00 H new ATOM 783 N PRO A 196 1.173 -8.107 6.090 1.00 0.00 N ATOM 784 CA PRO A 196 2.460 -8.249 6.746 1.00 0.00 C ATOM 785 C PRO A 196 3.572 -8.495 5.725 1.00 0.00 C ATOM 786 O PRO A 196 4.602 -7.822 5.749 1.00 0.00 O ATOM 787 CB PRO A 196 2.280 -9.406 7.717 1.00 0.00 C ATOM 788 CG PRO A 196 1.053 -10.163 7.239 1.00 0.00 C ATOM 789 CD PRO A 196 0.322 -9.285 6.237 1.00 0.00 C ATOM 0 HA PRO A 196 2.765 -7.345 7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 196 3.159 -10.051 7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 196 2.143 -9.043 8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 196 1.343 -11.107 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 196 0.403 -10.405 8.080 1.00 0.00 H new ATOM 0 HD2 PRO A 196 0.187 -9.798 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 196 -0.671 -9.015 6.597 1.00 0.00 H new ATOM 797 N ASP A 197 3.329 -9.461 4.853 1.00 0.00 N ATOM 798 CA ASP A 197 4.297 -9.804 3.824 1.00 0.00 C ATOM 799 C ASP A 197 4.736 -8.530 3.098 1.00 0.00 C ATOM 800 O ASP A 197 5.929 -8.253 2.986 1.00 0.00 O ATOM 801 CB ASP A 197 3.691 -10.754 2.790 1.00 0.00 C ATOM 802 CG ASP A 197 4.562 -11.959 2.430 1.00 0.00 C ATOM 803 OD1 ASP A 197 5.469 -11.863 1.589 1.00 0.00 O ATOM 804 OD2 ASP A 197 4.274 -13.047 3.060 1.00 0.00 O ATOM 0 H ASP A 197 2.475 -10.018 4.837 1.00 0.00 H new ATOM 0 HA ASP A 197 5.143 -10.292 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 197 2.735 -11.116 3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.482 -10.191 1.880 1.00 0.00 H new ATOM 810 N CYS A 198 3.746 -7.788 2.623 1.00 0.00 N ATOM 811 CA CYS A 198 4.013 -6.551 1.910 1.00 0.00 C ATOM 812 C CYS A 198 4.912 -5.676 2.787 1.00 0.00 C ATOM 813 O CYS A 198 5.806 -4.998 2.284 1.00 0.00 O ATOM 814 CB CYS A 198 2.721 -5.831 1.520 1.00 0.00 C ATOM 815 SG CYS A 198 3.095 -4.439 0.393 1.00 0.00 S ATOM 0 H CYS A 198 2.757 -8.020 2.718 1.00 0.00 H new ATOM 0 HA CYS A 198 4.524 -6.772 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 198 2.038 -6.529 1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.217 -5.461 2.413 1.00 0.00 H new ATOM 0 HG CYS A 198 2.356 -4.533 -0.673 1.00 0.00 H new ATOM 821 N LYS A 199 4.640 -5.719 4.084 1.00 0.00 N ATOM 822 CA LYS A 199 5.412 -4.939 5.036 1.00 0.00 C ATOM 823 C LYS A 199 6.889 -5.327 4.928 1.00 0.00 C ATOM 824 O LYS A 199 7.764 -4.463 4.937 1.00 0.00 O ATOM 825 CB LYS A 199 4.838 -5.092 6.446 1.00 0.00 C ATOM 826 CG LYS A 199 5.299 -3.950 7.353 1.00 0.00 C ATOM 827 CD LYS A 199 4.106 -3.263 8.020 1.00 0.00 C ATOM 828 CE LYS A 199 4.484 -2.727 9.402 1.00 0.00 C ATOM 829 NZ LYS A 199 3.269 -2.397 10.181 1.00 0.00 N ATOM 0 H LYS A 199 3.896 -6.282 4.497 1.00 0.00 H new ATOM 0 HA LYS A 199 5.343 -3.877 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 199 3.749 -5.107 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 199 5.152 -6.046 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 199 5.974 -4.337 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 199 5.862 -3.222 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 199 3.756 -2.444 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 199 3.281 -3.969 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 199 5.076 -3.470 9.937 1.00 0.00 H new ATOM 0 HE3 LYS A 199 5.107 -1.839 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 199 3.254 -1.377 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 199 2.424 -2.652 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 199 3.274 -2.929 11.074 1.00 0.00 H new ATOM 843 N THR A 200 7.121 -6.628 4.832 1.00 0.00 N ATOM 844 CA THR A 200 8.476 -7.140 4.722 1.00 0.00 C ATOM 845 C THR A 200 9.119 -6.676 3.415 1.00 0.00 C ATOM 846 O THR A 200 10.296 -6.319 3.389 1.00 0.00 O ATOM 847 CB THR A 200 8.418 -8.664 4.862 1.00 0.00 C ATOM 848 OG1 THR A 200 7.898 -8.871 6.172 1.00 0.00 O ATOM 849 CG2 THR A 200 9.808 -9.301 4.907 1.00 0.00 C ATOM 0 H THR A 200 6.393 -7.343 4.828 1.00 0.00 H new ATOM 0 HA THR A 200 9.111 -6.748 5.516 1.00 0.00 H new ATOM 0 HB THR A 200 7.854 -9.085 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 200 7.825 -9.833 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 200 9.710 -10.382 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 200 10.345 -9.069 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 200 10.362 -8.907 5.759 1.00 0.00 H new ATOM 857 N ILE A 201 8.318 -6.692 2.360 1.00 0.00 N ATOM 858 CA ILE A 201 8.794 -6.276 1.051 1.00 0.00 C ATOM 859 C ILE A 201 9.179 -4.796 1.100 1.00 0.00 C ATOM 860 O ILE A 201 10.216 -4.403 0.570 1.00 0.00 O ATOM 861 CB ILE A 201 7.761 -6.608 -0.027 1.00 0.00 C ATOM 862 CG1 ILE A 201 7.083 -7.951 0.260 1.00 0.00 C ATOM 863 CG2 ILE A 201 8.389 -6.569 -1.420 1.00 0.00 C ATOM 864 CD1 ILE A 201 6.633 -8.624 -1.038 1.00 0.00 C ATOM 0 H ILE A 201 7.342 -6.987 2.385 1.00 0.00 H new ATOM 0 HA ILE A 201 9.692 -6.831 0.779 1.00 0.00 H new ATOM 0 HB ILE A 201 6.985 -5.843 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 201 7.773 -8.605 0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 201 6.223 -7.797 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 201 7.632 -6.809 -2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 201 8.786 -5.572 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 201 9.197 -7.298 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 201 6.155 -9.576 -0.807 1.00 0.00 H new ATOM 0 HD12 ILE A 201 5.924 -7.978 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 201 7.499 -8.798 -1.677 1.00 0.00 H new ATOM 876 N LEU A 202 8.320 -4.016 1.740 1.00 0.00 N ATOM 877 CA LEU A 202 8.555 -2.587 1.866 1.00 0.00 C ATOM 878 C LEU A 202 9.742 -2.351 2.802 1.00 0.00 C ATOM 879 O LEU A 202 10.429 -1.335 2.695 1.00 0.00 O ATOM 880 CB LEU A 202 7.276 -1.869 2.300 1.00 0.00 C ATOM 881 CG LEU A 202 6.310 -1.479 1.179 1.00 0.00 C ATOM 882 CD1 LEU A 202 4.879 -1.896 1.519 1.00 0.00 C ATOM 883 CD2 LEU A 202 6.414 0.014 0.862 1.00 0.00 C ATOM 0 H LEU A 202 7.460 -4.347 2.177 1.00 0.00 H new ATOM 0 HA LEU A 202 8.820 -2.158 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 202 6.745 -2.510 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 202 7.556 -0.965 2.841 1.00 0.00 H new ATOM 0 HG LEU A 202 6.596 -2.020 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 202 4.213 -1.607 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 202 4.838 -2.977 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 202 4.565 -1.402 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 202 5.718 0.266 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 202 6.169 0.593 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 202 7.430 0.249 0.545 1.00 0.00 H new ATOM 895 N LYS A 203 9.947 -3.304 3.698 1.00 0.00 N ATOM 896 CA LYS A 203 11.040 -3.214 4.651 1.00 0.00 C ATOM 897 C LYS A 203 12.365 -3.466 3.929 1.00 0.00 C ATOM 898 O LYS A 203 13.364 -2.806 4.208 1.00 0.00 O ATOM 899 CB LYS A 203 10.797 -4.151 5.836 1.00 0.00 C ATOM 900 CG LYS A 203 10.057 -3.427 6.963 1.00 0.00 C ATOM 901 CD LYS A 203 9.654 -4.404 8.070 1.00 0.00 C ATOM 902 CE LYS A 203 10.533 -4.222 9.309 1.00 0.00 C ATOM 903 NZ LYS A 203 9.696 -4.005 10.510 1.00 0.00 N ATOM 0 H LYS A 203 9.374 -4.144 3.785 1.00 0.00 H new ATOM 0 HA LYS A 203 11.094 -2.211 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 203 10.216 -5.013 5.509 1.00 0.00 H new ATOM 0 HB3 LYS A 203 11.750 -4.530 6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 203 10.693 -2.645 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 203 9.169 -2.937 6.564 1.00 0.00 H new ATOM 0 HD2 LYS A 203 8.608 -4.247 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 203 9.740 -5.428 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 203 11.160 -5.102 9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 203 11.202 -3.373 9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 10.308 -3.883 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 9.116 -3.152 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 9.075 -4.827 10.654 1.00 0.00 H new ATOM 917 N ALA A 204 12.330 -4.425 3.015 1.00 0.00 N ATOM 918 CA ALA A 204 13.515 -4.773 2.250 1.00 0.00 C ATOM 919 C ALA A 204 13.665 -3.802 1.077 1.00 0.00 C ATOM 920 O ALA A 204 14.743 -3.683 0.498 1.00 0.00 O ATOM 921 CB ALA A 204 13.418 -6.230 1.793 1.00 0.00 C ATOM 0 H ALA A 204 11.500 -4.972 2.787 1.00 0.00 H new ATOM 0 HA ALA A 204 14.409 -4.684 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 204 14.307 -6.491 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 204 13.345 -6.881 2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 204 12.533 -6.358 1.169 1.00 0.00 H new ATOM 927 N LEU A 205 12.565 -3.134 0.760 1.00 0.00 N ATOM 928 CA LEU A 205 12.559 -2.177 -0.333 1.00 0.00 C ATOM 929 C LEU A 205 13.126 -0.844 0.158 1.00 0.00 C ATOM 930 O LEU A 205 14.058 -0.304 -0.437 1.00 0.00 O ATOM 931 CB LEU A 205 11.159 -2.064 -0.939 1.00 0.00 C ATOM 932 CG LEU A 205 10.747 -0.671 -1.420 1.00 0.00 C ATOM 933 CD1 LEU A 205 10.017 -0.749 -2.763 1.00 0.00 C ATOM 934 CD2 LEU A 205 9.919 0.053 -0.358 1.00 0.00 C ATOM 0 H LEU A 205 11.672 -3.237 1.241 1.00 0.00 H new ATOM 0 HA LEU A 205 13.204 -2.519 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 205 11.093 -2.752 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 205 10.435 -2.399 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 205 11.651 -0.083 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 205 9.735 0.254 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 205 10.674 -1.196 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 205 9.121 -1.361 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 205 9.639 1.040 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 205 9.019 -0.523 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 205 10.508 0.158 0.553 1.00 0.00 H new ATOM 946 N GLY A 206 12.541 -0.351 1.238 1.00 0.00 N ATOM 947 CA GLY A 206 12.975 0.910 1.817 1.00 0.00 C ATOM 948 C GLY A 206 11.809 1.639 2.486 1.00 0.00 C ATOM 949 O GLY A 206 10.737 1.771 1.899 1.00 0.00 O ATOM 0 H GLY A 206 11.769 -0.802 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 206 13.761 0.726 2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 206 13.405 1.542 1.040 1.00 0.00 H new ATOM 953 N PRO A 207 12.064 2.104 3.738 1.00 0.00 N ATOM 954 CA PRO A 207 11.047 2.816 4.494 1.00 0.00 C ATOM 955 C PRO A 207 10.867 4.239 3.964 1.00 0.00 C ATOM 956 O PRO A 207 10.985 5.205 4.715 1.00 0.00 O ATOM 957 CB PRO A 207 11.526 2.775 5.935 1.00 0.00 C ATOM 958 CG PRO A 207 13.010 2.453 5.872 1.00 0.00 C ATOM 959 CD PRO A 207 13.322 1.965 4.466 1.00 0.00 C ATOM 0 HA PRO A 207 10.061 2.361 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 207 11.354 3.730 6.431 1.00 0.00 H new ATOM 0 HB3 PRO A 207 10.986 2.019 6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 207 13.603 3.336 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 207 13.267 1.690 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 207 14.113 2.559 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 207 13.663 0.930 4.473 1.00 0.00 H new ATOM 967 N GLY A 208 10.584 4.325 2.671 1.00 0.00 N ATOM 968 CA GLY A 208 10.387 5.614 2.032 1.00 0.00 C ATOM 969 C GLY A 208 10.346 5.472 0.510 1.00 0.00 C ATOM 970 O GLY A 208 10.882 6.312 -0.212 1.00 0.00 O ATOM 0 H GLY A 208 10.487 3.522 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 208 9.457 6.060 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 208 11.193 6.291 2.316 1.00 0.00 H new ATOM 974 N ALA A 209 9.704 4.400 0.065 1.00 0.00 N ATOM 975 CA ALA A 209 9.588 4.136 -1.359 1.00 0.00 C ATOM 976 C ALA A 209 8.445 4.974 -1.937 1.00 0.00 C ATOM 977 O ALA A 209 7.570 5.427 -1.201 1.00 0.00 O ATOM 978 CB ALA A 209 9.383 2.637 -1.585 1.00 0.00 C ATOM 0 H ALA A 209 9.260 3.706 0.666 1.00 0.00 H new ATOM 0 HA ALA A 209 10.503 4.422 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 209 9.296 2.439 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 209 10.235 2.089 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 209 8.472 2.314 -1.081 1.00 0.00 H new ATOM 984 N THR A 210 8.491 5.154 -3.248 1.00 0.00 N ATOM 985 CA THR A 210 7.470 5.930 -3.933 1.00 0.00 C ATOM 986 C THR A 210 6.318 5.025 -4.373 1.00 0.00 C ATOM 987 O THR A 210 6.263 3.855 -3.996 1.00 0.00 O ATOM 988 CB THR A 210 8.137 6.671 -5.093 1.00 0.00 C ATOM 989 OG1 THR A 210 7.085 7.442 -5.665 1.00 0.00 O ATOM 990 CG2 THR A 210 8.566 5.729 -6.220 1.00 0.00 C ATOM 0 H THR A 210 9.219 4.776 -3.855 1.00 0.00 H new ATOM 0 HA THR A 210 7.025 6.671 -3.269 1.00 0.00 H new ATOM 0 HB THR A 210 9.007 7.214 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 210 7.431 7.956 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 210 9.034 6.306 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 210 9.278 5.000 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 210 7.692 5.209 -6.612 1.00 0.00 H new ATOM 998 N LEU A 211 5.425 5.601 -5.165 1.00 0.00 N ATOM 999 CA LEU A 211 4.277 4.859 -5.660 1.00 0.00 C ATOM 1000 C LEU A 211 4.758 3.734 -6.577 1.00 0.00 C ATOM 1001 O LEU A 211 4.337 2.587 -6.431 1.00 0.00 O ATOM 1002 CB LEU A 211 3.275 5.807 -6.323 1.00 0.00 C ATOM 1003 CG LEU A 211 1.797 5.519 -6.048 1.00 0.00 C ATOM 1004 CD1 LEU A 211 1.468 4.048 -6.306 1.00 0.00 C ATOM 1005 CD2 LEU A 211 1.408 5.954 -4.634 1.00 0.00 C ATOM 0 H LEU A 211 5.473 6.571 -5.476 1.00 0.00 H new ATOM 0 HA LEU A 211 3.741 4.389 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 211 3.494 6.823 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 211 3.436 5.778 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 211 1.199 6.109 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 211 0.412 3.870 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 211 1.684 3.804 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 211 2.074 3.420 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.353 5.738 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 211 2.011 5.410 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.582 7.024 -4.522 1.00 0.00 H new ATOM 1017 N GLU A 212 5.635 4.099 -7.501 1.00 0.00 N ATOM 1018 CA GLU A 212 6.179 3.134 -8.441 1.00 0.00 C ATOM 1019 C GLU A 212 6.983 2.065 -7.698 1.00 0.00 C ATOM 1020 O GLU A 212 6.853 0.875 -7.984 1.00 0.00 O ATOM 1021 CB GLU A 212 7.035 3.826 -9.502 1.00 0.00 C ATOM 1022 CG GLU A 212 7.201 2.938 -10.737 1.00 0.00 C ATOM 1023 CD GLU A 212 8.549 3.187 -11.415 1.00 0.00 C ATOM 1024 OE1 GLU A 212 9.576 3.298 -10.729 1.00 0.00 O ATOM 1025 OE2 GLU A 212 8.507 3.262 -12.702 1.00 0.00 O ATOM 0 H GLU A 212 5.982 5.051 -7.619 1.00 0.00 H new ATOM 0 HA GLU A 212 5.349 2.646 -8.953 1.00 0.00 H new ATOM 0 HB2 GLU A 212 6.572 4.771 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 212 8.014 4.064 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 212 7.123 1.890 -10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 212 6.394 3.135 -11.442 1.00 0.00 H new ATOM 1033 N GLU A 213 7.794 2.526 -6.758 1.00 0.00 N ATOM 1034 CA GLU A 213 8.619 1.624 -5.973 1.00 0.00 C ATOM 1035 C GLU A 213 7.745 0.780 -5.044 1.00 0.00 C ATOM 1036 O GLU A 213 7.925 -0.433 -4.948 1.00 0.00 O ATOM 1037 CB GLU A 213 9.675 2.396 -5.179 1.00 0.00 C ATOM 1038 CG GLU A 213 10.780 1.463 -4.684 1.00 0.00 C ATOM 1039 CD GLU A 213 12.097 1.732 -5.419 1.00 0.00 C ATOM 1040 OE1 GLU A 213 12.502 0.935 -6.276 1.00 0.00 O ATOM 1041 OE2 GLU A 213 12.704 2.815 -5.069 1.00 0.00 O ATOM 0 H GLU A 213 7.898 3.513 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 213 9.143 0.955 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 213 10.107 3.177 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 213 9.206 2.892 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 213 10.923 1.600 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 213 10.480 0.426 -4.836 1.00 0.00 H new ATOM 1049 N MET A 214 6.817 1.455 -4.382 1.00 0.00 N ATOM 1050 CA MET A 214 5.914 0.782 -3.462 1.00 0.00 C ATOM 1051 C MET A 214 5.059 -0.255 -4.193 1.00 0.00 C ATOM 1052 O MET A 214 4.819 -1.343 -3.675 1.00 0.00 O ATOM 1053 CB MET A 214 5.004 1.814 -2.792 1.00 0.00 C ATOM 1054 CG MET A 214 5.778 2.642 -1.764 1.00 0.00 C ATOM 1055 SD MET A 214 4.983 4.222 -1.529 1.00 0.00 S ATOM 1056 CE MET A 214 3.312 3.683 -1.201 1.00 0.00 C ATOM 0 H MET A 214 6.670 2.461 -4.464 1.00 0.00 H new ATOM 0 HA MET A 214 6.510 0.267 -2.709 1.00 0.00 H new ATOM 0 HB2 MET A 214 4.577 2.473 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 214 4.171 1.308 -2.304 1.00 0.00 H new ATOM 0 HG2 MET A 214 5.827 2.106 -0.816 1.00 0.00 H new ATOM 0 HG3 MET A 214 6.804 2.789 -2.101 1.00 0.00 H new ATOM 0 HE1 MET A 214 2.772 4.471 -0.677 1.00 0.00 H new ATOM 0 HE2 MET A 214 2.809 3.463 -2.143 1.00 0.00 H new ATOM 0 HE3 MET A 214 3.334 2.786 -0.583 1.00 0.00 H new ATOM 1066 N MET A 215 4.624 0.121 -5.388 1.00 0.00 N ATOM 1067 CA MET A 215 3.802 -0.762 -6.196 1.00 0.00 C ATOM 1068 C MET A 215 4.621 -1.937 -6.732 1.00 0.00 C ATOM 1069 O MET A 215 4.103 -3.043 -6.884 1.00 0.00 O ATOM 1070 CB MET A 215 3.208 0.023 -7.367 1.00 0.00 C ATOM 1071 CG MET A 215 2.605 -0.921 -8.410 1.00 0.00 C ATOM 1072 SD MET A 215 1.855 0.023 -9.725 1.00 0.00 S ATOM 1073 CE MET A 215 1.765 -1.231 -10.993 1.00 0.00 C ATOM 0 H MET A 215 4.826 1.025 -5.815 1.00 0.00 H new ATOM 0 HA MET A 215 3.003 -1.157 -5.569 1.00 0.00 H new ATOM 0 HB2 MET A 215 2.440 0.704 -7.001 1.00 0.00 H new ATOM 0 HB3 MET A 215 3.982 0.635 -7.830 1.00 0.00 H new ATOM 0 HG2 MET A 215 3.380 -1.572 -8.815 1.00 0.00 H new ATOM 0 HG3 MET A 215 1.860 -1.565 -7.942 1.00 0.00 H new ATOM 0 HE1 MET A 215 1.317 -0.808 -11.892 1.00 0.00 H new ATOM 0 HE2 MET A 215 2.769 -1.590 -11.222 1.00 0.00 H new ATOM 0 HE3 MET A 215 1.154 -2.062 -10.640 1.00 0.00 H new ATOM 1083 N THR A 216 5.888 -1.659 -7.002 1.00 0.00 N ATOM 1084 CA THR A 216 6.785 -2.680 -7.519 1.00 0.00 C ATOM 1085 C THR A 216 7.004 -3.776 -6.473 1.00 0.00 C ATOM 1086 O THR A 216 7.052 -4.957 -6.810 1.00 0.00 O ATOM 1087 CB THR A 216 8.079 -1.993 -7.958 1.00 0.00 C ATOM 1088 OG1 THR A 216 7.936 -1.852 -9.370 1.00 0.00 O ATOM 1089 CG2 THR A 216 9.304 -2.895 -7.798 1.00 0.00 C ATOM 0 H THR A 216 6.315 -0.742 -6.873 1.00 0.00 H new ATOM 0 HA THR A 216 6.356 -3.182 -8.386 1.00 0.00 H new ATOM 0 HB THR A 216 8.220 -1.081 -7.378 1.00 0.00 H new ATOM 0 HG1 THR A 216 8.732 -1.413 -9.737 1.00 0.00 H new ATOM 0 HG21 THR A 216 10.196 -2.359 -8.124 1.00 0.00 H new ATOM 0 HG22 THR A 216 9.413 -3.178 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 216 9.178 -3.791 -8.405 1.00 0.00 H new ATOM 1097 N ALA A 217 7.130 -3.343 -5.228 1.00 0.00 N ATOM 1098 CA ALA A 217 7.342 -4.272 -4.131 1.00 0.00 C ATOM 1099 C ALA A 217 6.051 -5.052 -3.872 1.00 0.00 C ATOM 1100 O ALA A 217 6.088 -6.258 -3.633 1.00 0.00 O ATOM 1101 CB ALA A 217 7.818 -3.505 -2.895 1.00 0.00 C ATOM 0 H ALA A 217 7.089 -2.361 -4.954 1.00 0.00 H new ATOM 0 HA ALA A 217 8.118 -4.994 -4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 217 7.977 -4.203 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 217 8.753 -2.993 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 217 7.064 -2.772 -2.609 1.00 0.00 H new ATOM 1107 N CYS A 218 4.941 -4.331 -3.928 1.00 0.00 N ATOM 1108 CA CYS A 218 3.641 -4.940 -3.701 1.00 0.00 C ATOM 1109 C CYS A 218 3.408 -5.993 -4.788 1.00 0.00 C ATOM 1110 O CYS A 218 2.882 -7.069 -4.512 1.00 0.00 O ATOM 1111 CB CYS A 218 2.525 -3.895 -3.671 1.00 0.00 C ATOM 1112 SG CYS A 218 1.049 -4.580 -2.832 1.00 0.00 S ATOM 0 H CYS A 218 4.915 -3.331 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 218 3.627 -5.420 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 218 2.867 -3.000 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 218 2.269 -3.595 -4.687 1.00 0.00 H new ATOM 0 HG CYS A 218 0.257 -3.609 -2.486 1.00 0.00 H new ATOM 1118 N GLN A 219 3.813 -5.644 -6.001 1.00 0.00 N ATOM 1119 CA GLN A 219 3.654 -6.545 -7.129 1.00 0.00 C ATOM 1120 C GLN A 219 4.451 -7.832 -6.898 1.00 0.00 C ATOM 1121 O GLN A 219 4.106 -8.884 -7.430 1.00 0.00 O ATOM 1122 CB GLN A 219 4.076 -5.868 -8.434 1.00 0.00 C ATOM 1123 CG GLN A 219 2.960 -5.949 -9.478 1.00 0.00 C ATOM 1124 CD GLN A 219 2.884 -7.350 -10.092 1.00 0.00 C ATOM 1125 OE1 GLN A 219 3.850 -7.878 -10.618 1.00 0.00 O ATOM 1126 NE2 GLN A 219 1.686 -7.919 -9.994 1.00 0.00 N ATOM 0 H GLN A 219 4.250 -4.751 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 219 2.599 -6.804 -7.216 1.00 0.00 H new ATOM 0 HB2 GLN A 219 4.325 -4.824 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 219 4.977 -6.345 -8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 219 2.005 -5.698 -9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 219 3.137 -5.213 -10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 219 0.920 -7.421 -9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 219 1.533 -8.854 -10.372 1.00 0.00 H new ATOM 1135 N GLY A 220 5.502 -7.703 -6.100 1.00 0.00 N ATOM 1136 CA GLY A 220 6.350 -8.841 -5.792 1.00 0.00 C ATOM 1137 C GLY A 220 5.676 -9.770 -4.780 1.00 0.00 C ATOM 1138 O GLY A 220 5.936 -10.972 -4.765 1.00 0.00 O ATOM 0 H GLY A 220 5.785 -6.828 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 220 6.571 -9.392 -6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 220 7.302 -8.492 -5.392 1.00 0.00 H new ATOM 1142 N VAL A 221 4.819 -9.178 -3.960 1.00 0.00 N ATOM 1143 CA VAL A 221 4.104 -9.936 -2.949 1.00 0.00 C ATOM 1144 C VAL A 221 3.573 -11.230 -3.569 1.00 0.00 C ATOM 1145 O VAL A 221 2.854 -11.194 -4.565 1.00 0.00 O ATOM 1146 CB VAL A 221 3.004 -9.073 -2.328 1.00 0.00 C ATOM 1147 CG1 VAL A 221 1.706 -9.179 -3.132 1.00 0.00 C ATOM 1148 CG2 VAL A 221 2.772 -9.449 -0.864 1.00 0.00 C ATOM 0 H VAL A 221 4.604 -8.181 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 221 4.774 -10.217 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 221 3.335 -8.035 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 221 0.940 -8.556 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 221 1.882 -8.840 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 221 1.371 -10.216 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 221 1.985 -8.820 -0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 221 2.473 -10.495 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 221 3.693 -9.300 -0.300 1.00 0.00 H new