USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 57 MET CE :methyl 175:sc= -0.0643 (180deg=-0.00567) USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.0141 X(o=-0.078,f=-0.27) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 16 THR OG1 : rot 150:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.024 X(o=-0.024,f=-0.47) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -132:sc= 1.26 (180deg=-0.406) USER MOD Single : A 42 SER OG : rot -106:sc= -1.08! USER MOD Single : A 67 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.85) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.92 F(o=-3.1!,f=-1.9) USER MOD Single : A 79 GLN : amide:sc= -2.41! C(o=-2.4!,f=-7.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -1.16 USER MOD Single : A 88 ASN : amide:sc=-0.00859 X(o=-0.0086,f=0) USER MOD Single : A 95 THR OG1 : rot 170:sc= -0.3 USER MOD Single : A 99 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 102 LYS NZ :NH3+ 172:sc= 0.419 (180deg=0.335) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.00603 USER MOD Single : A 120 MET CE :methyl -106:sc= -2.32! (180deg=-5.29!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.860 3.430 7.260 1.00 0.00 N ATOM 126 CA LEU A 10 11.770 2.468 7.334 1.00 0.00 C ATOM 127 C LEU A 10 11.592 1.770 5.993 1.00 0.00 C ATOM 128 O LEU A 10 11.155 0.626 5.938 1.00 0.00 O ATOM 129 CB LEU A 10 10.463 3.143 7.763 1.00 0.00 C ATOM 130 CG LEU A 10 10.280 3.352 9.275 1.00 0.00 C ATOM 131 CD1 LEU A 10 10.335 2.018 10.006 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.317 4.318 9.837 1.00 0.00 C ATOM 0 HA LEU A 10 12.026 1.724 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.400 4.114 7.271 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.630 2.544 7.395 1.00 0.00 H new ATOM 0 HG LEU A 10 9.298 3.797 9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.204 2.183 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.540 1.369 9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.301 1.545 9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.157 4.441 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.317 3.920 9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.220 5.284 9.342 1.00 0.00 H new ATOM 144 N TRP A 11 11.951 2.469 4.921 1.00 0.00 N ATOM 145 CA TRP A 11 11.927 1.899 3.579 1.00 0.00 C ATOM 146 C TRP A 11 12.813 0.652 3.537 1.00 0.00 C ATOM 147 O TRP A 11 12.421 -0.389 3.011 1.00 0.00 O ATOM 148 CB TRP A 11 12.416 2.943 2.567 1.00 0.00 C ATOM 149 CG TRP A 11 11.744 2.858 1.226 1.00 0.00 C ATOM 150 CD1 TRP A 11 10.814 3.723 0.719 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.939 1.853 0.227 1.00 0.00 C ATOM 152 NE1 TRP A 11 10.435 3.323 -0.539 1.00 0.00 N ATOM 153 CE2 TRP A 11 11.107 2.177 -0.862 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.736 0.713 0.146 1.00 0.00 C ATOM 155 CZ2 TRP A 11 11.057 1.404 -2.017 1.00 0.00 C ATOM 156 CZ3 TRP A 11 12.682 -0.055 -0.997 1.00 0.00 C ATOM 157 CH2 TRP A 11 11.848 0.292 -2.066 1.00 0.00 C ATOM 0 H TRP A 11 12.264 3.439 4.957 1.00 0.00 H new ATOM 0 HA TRP A 11 10.908 1.613 3.319 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.254 3.938 2.981 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.491 2.826 2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.433 4.593 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.761 3.803 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 11 13.384 0.436 0.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.417 1.673 -2.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 13.295 -0.941 -1.069 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.830 -0.332 -2.947 1.00 0.00 H new ATOM 168 N GLN A 12 13.997 0.760 4.131 1.00 0.00 N ATOM 169 CA GLN A 12 14.927 -0.354 4.208 1.00 0.00 C ATOM 170 C GLN A 12 14.400 -1.424 5.161 1.00 0.00 C ATOM 171 O GLN A 12 14.584 -2.621 4.937 1.00 0.00 O ATOM 172 CB GLN A 12 16.290 0.147 4.685 1.00 0.00 C ATOM 173 CG GLN A 12 16.857 1.276 3.836 1.00 0.00 C ATOM 174 CD GLN A 12 18.203 1.763 4.335 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.505 1.685 5.524 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.015 2.285 3.432 1.00 0.00 N ATOM 0 H GLN A 12 14.335 1.617 4.569 1.00 0.00 H new ATOM 0 HA GLN A 12 15.032 -0.795 3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.201 0.489 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 12 16.994 -0.685 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 12 16.958 0.935 2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 12 16.154 2.109 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 12 18.728 2.332 2.454 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.929 2.641 3.713 1.00 0.00 H new ATOM 185 N ARG A 13 13.733 -0.977 6.220 1.00 0.00 N ATOM 186 CA ARG A 13 13.125 -1.880 7.193 1.00 0.00 C ATOM 187 C ARG A 13 12.032 -2.723 6.539 1.00 0.00 C ATOM 188 O ARG A 13 11.859 -3.895 6.871 1.00 0.00 O ATOM 189 CB ARG A 13 12.535 -1.087 8.364 1.00 0.00 C ATOM 190 CG ARG A 13 13.563 -0.340 9.204 1.00 0.00 C ATOM 191 CD ARG A 13 14.169 -1.218 10.292 1.00 0.00 C ATOM 192 NE ARG A 13 14.986 -2.312 9.763 1.00 0.00 N ATOM 193 CZ ARG A 13 15.385 -3.357 10.488 1.00 0.00 C ATOM 194 NH1 ARG A 13 15.000 -3.480 11.755 1.00 0.00 N ATOM 195 NH2 ARG A 13 16.162 -4.281 9.938 1.00 0.00 N ATOM 0 H ARG A 13 13.599 0.013 6.428 1.00 0.00 H new ATOM 0 HA ARG A 13 13.903 -2.544 7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.813 -0.369 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.986 -1.772 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.357 0.032 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.092 0.529 9.662 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.782 -0.600 10.949 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.367 -1.634 10.902 1.00 0.00 H new ATOM 0 HE ARG A 13 15.266 -2.272 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.397 -2.773 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.308 -4.281 12.306 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.452 -4.190 8.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.470 -5.082 10.489 1.00 0.00 H new ATOM 209 N LEU A 14 11.299 -2.114 5.611 1.00 0.00 N ATOM 210 CA LEU A 14 10.249 -2.807 4.874 1.00 0.00 C ATOM 211 C LEU A 14 10.827 -3.982 4.095 1.00 0.00 C ATOM 212 O LEU A 14 10.257 -5.070 4.093 1.00 0.00 O ATOM 213 CB LEU A 14 9.547 -1.848 3.906 1.00 0.00 C ATOM 214 CG LEU A 14 8.851 -0.648 4.552 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.249 0.250 3.481 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.779 -1.114 5.522 1.00 0.00 C ATOM 0 H LEU A 14 11.415 -1.135 5.351 1.00 0.00 H new ATOM 0 HA LEU A 14 9.523 -3.180 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.283 -1.477 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.807 -2.411 3.337 1.00 0.00 H new ATOM 0 HG LEU A 14 9.591 -0.075 5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.757 1.100 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.039 0.609 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.520 -0.315 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.294 -0.248 5.972 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.038 -1.708 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.235 -1.722 6.304 1.00 0.00 H new ATOM 228 N LEU A 15 11.974 -3.754 3.461 1.00 0.00 N ATOM 229 CA LEU A 15 12.640 -4.776 2.660 1.00 0.00 C ATOM 230 C LEU A 15 12.997 -5.995 3.507 1.00 0.00 C ATOM 231 O LEU A 15 12.953 -7.129 3.034 1.00 0.00 O ATOM 232 CB LEU A 15 13.906 -4.199 2.021 1.00 0.00 C ATOM 233 CG LEU A 15 13.672 -3.057 1.031 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.999 -2.494 0.551 1.00 0.00 C ATOM 235 CD2 LEU A 15 12.837 -3.539 -0.148 1.00 0.00 C ATOM 0 H LEU A 15 12.465 -2.861 3.488 1.00 0.00 H new ATOM 0 HA LEU A 15 11.951 -5.094 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.564 -3.843 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.433 -5.003 1.507 1.00 0.00 H new ATOM 0 HG LEU A 15 13.124 -2.263 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.816 -1.682 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.563 -2.115 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.571 -3.280 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.679 -2.715 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.360 -4.348 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.873 -3.899 0.212 1.00 0.00 H new ATOM 247 N THR A 16 13.339 -5.748 4.761 1.00 0.00 N ATOM 248 CA THR A 16 13.672 -6.816 5.693 1.00 0.00 C ATOM 249 C THR A 16 12.447 -7.688 5.986 1.00 0.00 C ATOM 250 O THR A 16 12.572 -8.870 6.317 1.00 0.00 O ATOM 251 CB THR A 16 14.234 -6.225 7.002 1.00 0.00 C ATOM 252 OG1 THR A 16 15.292 -5.307 6.690 1.00 0.00 O ATOM 253 CG2 THR A 16 14.767 -7.315 7.919 1.00 0.00 C ATOM 0 H THR A 16 13.394 -4.811 5.160 1.00 0.00 H new ATOM 0 HA THR A 16 14.435 -7.445 5.234 1.00 0.00 H new ATOM 0 HB THR A 16 13.425 -5.710 7.520 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.329 -4.606 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.156 -6.864 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.962 -8.006 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.566 -7.857 7.414 1.00 0.00 H new ATOM 261 N ARG A 17 11.265 -7.109 5.842 1.00 0.00 N ATOM 262 CA ARG A 17 10.026 -7.830 6.097 1.00 0.00 C ATOM 263 C ARG A 17 9.303 -8.118 4.778 1.00 0.00 C ATOM 264 O ARG A 17 8.093 -8.345 4.744 1.00 0.00 O ATOM 265 CB ARG A 17 9.134 -7.019 7.044 1.00 0.00 C ATOM 266 CG ARG A 17 7.939 -7.792 7.588 1.00 0.00 C ATOM 267 CD ARG A 17 7.154 -6.968 8.590 1.00 0.00 C ATOM 268 NE ARG A 17 6.665 -5.714 8.015 1.00 0.00 N ATOM 269 CZ ARG A 17 6.210 -4.693 8.742 1.00 0.00 C ATOM 270 NH1 ARG A 17 6.242 -4.752 10.068 1.00 0.00 N ATOM 271 NH2 ARG A 17 5.749 -3.601 8.143 1.00 0.00 N ATOM 0 H ARG A 17 11.137 -6.140 5.549 1.00 0.00 H new ATOM 0 HA ARG A 17 10.257 -8.782 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.737 -6.667 7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.773 -6.136 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.287 -8.083 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.284 -8.711 8.062 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.309 -7.552 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.785 -6.749 9.451 1.00 0.00 H new ATOM 0 HE ARG A 17 6.673 -5.615 7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.615 -5.580 10.533 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.893 -3.970 10.622 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.742 -3.542 7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.401 -2.821 8.701 1.00 0.00 H new ATOM 285 N GLY A 18 10.059 -8.114 3.690 1.00 0.00 N ATOM 286 CA GLY A 18 9.490 -8.406 2.395 1.00 0.00 C ATOM 287 C GLY A 18 9.361 -7.169 1.537 1.00 0.00 C ATOM 288 O GLY A 18 10.337 -6.445 1.354 1.00 0.00 O ATOM 0 H GLY A 18 11.059 -7.913 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.114 -9.138 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.508 -8.860 2.525 1.00 0.00 H new ATOM 292 N TRP A 19 8.150 -6.936 1.025 1.00 0.00 N ATOM 293 CA TRP A 19 7.854 -5.784 0.163 1.00 0.00 C ATOM 294 C TRP A 19 8.565 -5.884 -1.185 1.00 0.00 C ATOM 295 O TRP A 19 9.769 -6.116 -1.262 1.00 0.00 O ATOM 296 CB TRP A 19 8.217 -4.462 0.849 1.00 0.00 C ATOM 297 CG TRP A 19 7.253 -4.066 1.928 1.00 0.00 C ATOM 298 CD1 TRP A 19 7.057 -4.687 3.128 1.00 0.00 C ATOM 299 CD2 TRP A 19 6.354 -2.952 1.900 1.00 0.00 C ATOM 300 NE1 TRP A 19 6.087 -4.028 3.845 1.00 0.00 N ATOM 301 CE2 TRP A 19 5.642 -2.958 3.112 1.00 0.00 C ATOM 302 CE3 TRP A 19 6.084 -1.950 0.964 1.00 0.00 C ATOM 303 CZ2 TRP A 19 4.678 -1.999 3.412 1.00 0.00 C ATOM 304 CZ3 TRP A 19 5.126 -1.000 1.262 1.00 0.00 C ATOM 305 CH2 TRP A 19 4.435 -1.030 2.476 1.00 0.00 C ATOM 0 H TRP A 19 7.345 -7.539 1.195 1.00 0.00 H new ATOM 0 HA TRP A 19 6.779 -5.799 -0.017 1.00 0.00 H new ATOM 0 HB2 TRP A 19 9.216 -4.546 1.277 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.257 -3.671 0.100 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.586 -5.566 3.464 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.753 -4.292 4.772 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.615 -1.919 0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.141 -2.019 4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.908 -0.222 0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 19 3.693 -0.272 2.680 1.00 0.00 H new ATOM 316 N GLN A 20 7.809 -5.707 -2.251 1.00 0.00 N ATOM 317 CA GLN A 20 8.371 -5.746 -3.589 1.00 0.00 C ATOM 318 C GLN A 20 8.328 -4.364 -4.224 1.00 0.00 C ATOM 319 O GLN A 20 7.251 -3.816 -4.459 1.00 0.00 O ATOM 320 CB GLN A 20 7.620 -6.754 -4.463 1.00 0.00 C ATOM 321 CG GLN A 20 8.067 -6.748 -5.919 1.00 0.00 C ATOM 322 CD GLN A 20 9.547 -7.048 -6.084 1.00 0.00 C ATOM 323 OE1 GLN A 20 10.138 -7.798 -5.304 1.00 0.00 O ATOM 324 NE2 GLN A 20 10.163 -6.444 -7.089 1.00 0.00 N ATOM 0 H GLN A 20 6.804 -5.535 -2.218 1.00 0.00 H new ATOM 0 HA GLN A 20 9.411 -6.064 -3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.760 -7.754 -4.052 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.553 -6.537 -4.418 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.488 -7.485 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.848 -5.774 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.639 -5.830 -7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.161 -6.592 -7.239 1.00 0.00 H new ATOM 333 N PRO A 21 9.498 -3.763 -4.467 1.00 0.00 N ATOM 334 CA PRO A 21 9.593 -2.523 -5.229 1.00 0.00 C ATOM 335 C PRO A 21 9.144 -2.738 -6.670 1.00 0.00 C ATOM 336 O PRO A 21 9.852 -3.359 -7.467 1.00 0.00 O ATOM 337 CB PRO A 21 11.084 -2.161 -5.169 1.00 0.00 C ATOM 338 CG PRO A 21 11.633 -2.963 -4.039 1.00 0.00 C ATOM 339 CD PRO A 21 10.813 -4.220 -3.996 1.00 0.00 C ATOM 0 HA PRO A 21 8.955 -1.735 -4.829 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.587 -2.404 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.224 -1.093 -4.999 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.688 -3.189 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.560 -2.416 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.227 -4.996 -4.640 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.761 -4.635 -2.990 1.00 0.00 H new ATOM 347 N VAL A 22 7.951 -2.263 -6.987 1.00 0.00 N ATOM 348 CA VAL A 22 7.401 -2.430 -8.318 1.00 0.00 C ATOM 349 C VAL A 22 7.944 -1.380 -9.263 1.00 0.00 C ATOM 350 O VAL A 22 8.589 -0.418 -8.841 1.00 0.00 O ATOM 351 CB VAL A 22 5.862 -2.372 -8.334 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.280 -3.698 -7.884 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.346 -1.231 -7.467 1.00 0.00 C ATOM 0 H VAL A 22 7.346 -1.759 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 22 7.707 -3.422 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 22 5.539 -2.182 -9.357 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.192 -3.642 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.613 -4.488 -8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.617 -3.918 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.257 -1.215 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.678 -1.376 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.734 -0.284 -7.843 1.00 0.00 H new ATOM 363 N GLU A 23 7.658 -1.562 -10.538 1.00 0.00 N ATOM 364 CA GLU A 23 8.196 -0.704 -11.576 1.00 0.00 C ATOM 365 C GLU A 23 7.116 -0.386 -12.591 1.00 0.00 C ATOM 366 O GLU A 23 6.130 -1.112 -12.704 1.00 0.00 O ATOM 367 CB GLU A 23 9.376 -1.388 -12.280 1.00 0.00 C ATOM 368 CG GLU A 23 10.466 -1.856 -11.328 1.00 0.00 C ATOM 369 CD GLU A 23 11.666 -2.443 -12.040 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.566 -3.576 -12.552 1.00 0.00 O ATOM 371 OE2 GLU A 23 12.723 -1.778 -12.072 1.00 0.00 O ATOM 0 H GLU A 23 7.049 -2.305 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 23 8.547 0.219 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.005 -2.244 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.809 -0.695 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.790 -1.015 -10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.052 -2.603 -10.651 1.00 0.00 H new ATOM 378 N ALA A 24 7.314 0.684 -13.341 1.00 0.00 N ATOM 379 CA ALA A 24 6.364 1.074 -14.372 1.00 0.00 C ATOM 380 C ALA A 24 6.634 0.293 -15.649 1.00 0.00 C ATOM 381 O ALA A 24 5.872 0.359 -16.610 1.00 0.00 O ATOM 382 CB ALA A 24 6.448 2.570 -14.630 1.00 0.00 C ATOM 0 H ALA A 24 8.123 1.299 -13.257 1.00 0.00 H new ATOM 0 HA ALA A 24 5.355 0.843 -14.029 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.732 2.847 -15.404 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.218 3.111 -13.712 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.455 2.826 -14.960 1.00 0.00 H new ATOM 388 N SER A 25 7.725 -0.452 -15.635 1.00 0.00 N ATOM 389 CA SER A 25 8.158 -1.214 -16.790 1.00 0.00 C ATOM 390 C SER A 25 7.339 -2.492 -16.952 1.00 0.00 C ATOM 391 O SER A 25 6.924 -2.843 -18.058 1.00 0.00 O ATOM 392 CB SER A 25 9.636 -1.556 -16.622 1.00 0.00 C ATOM 393 OG SER A 25 10.349 -0.432 -16.132 1.00 0.00 O ATOM 0 H SER A 25 8.335 -0.545 -14.823 1.00 0.00 H new ATOM 0 HA SER A 25 8.009 -0.614 -17.687 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.746 -2.394 -15.933 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.054 -1.872 -17.578 1.00 0.00 H new ATOM 0 HG SER A 25 11.295 -0.665 -16.027 1.00 0.00 H new ATOM 399 N THR A 26 7.101 -3.176 -15.843 1.00 0.00 N ATOM 400 CA THR A 26 6.430 -4.467 -15.870 1.00 0.00 C ATOM 401 C THR A 26 5.096 -4.430 -15.126 1.00 0.00 C ATOM 402 O THR A 26 4.462 -5.466 -14.934 1.00 0.00 O ATOM 403 CB THR A 26 7.329 -5.543 -15.243 1.00 0.00 C ATOM 404 OG1 THR A 26 7.878 -5.046 -14.014 1.00 0.00 O ATOM 405 CG2 THR A 26 8.452 -5.934 -16.193 1.00 0.00 C ATOM 0 H THR A 26 7.364 -2.857 -14.910 1.00 0.00 H new ATOM 0 HA THR A 26 6.232 -4.708 -16.914 1.00 0.00 H new ATOM 0 HB THR A 26 6.728 -6.431 -15.045 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.451 -5.731 -13.611 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.075 -6.697 -15.726 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.027 -6.328 -17.116 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.060 -5.058 -16.418 1.00 0.00 H new ATOM 413 N VAL A 27 4.669 -3.231 -14.729 1.00 0.00 N ATOM 414 CA VAL A 27 3.439 -3.060 -13.953 1.00 0.00 C ATOM 415 C VAL A 27 2.236 -3.705 -14.652 1.00 0.00 C ATOM 416 O VAL A 27 1.434 -4.389 -14.017 1.00 0.00 O ATOM 417 CB VAL A 27 3.154 -1.562 -13.666 1.00 0.00 C ATOM 418 CG1 VAL A 27 3.058 -0.752 -14.951 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.888 -1.402 -12.831 1.00 0.00 C ATOM 0 H VAL A 27 5.159 -2.360 -14.933 1.00 0.00 H new ATOM 0 HA VAL A 27 3.591 -3.569 -13.001 1.00 0.00 H new ATOM 0 HB VAL A 27 3.996 -1.172 -13.094 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.858 0.292 -14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.998 -0.824 -15.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.249 -1.143 -15.568 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.708 -0.344 -12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.040 -1.824 -13.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.010 -1.924 -11.882 1.00 0.00 H new ATOM 429 N ASP A 28 2.142 -3.511 -15.966 1.00 0.00 N ATOM 430 CA ASP A 28 1.028 -4.036 -16.754 1.00 0.00 C ATOM 431 C ASP A 28 0.943 -5.554 -16.670 1.00 0.00 C ATOM 432 O ASP A 28 -0.131 -6.114 -16.438 1.00 0.00 O ATOM 433 CB ASP A 28 1.168 -3.618 -18.219 1.00 0.00 C ATOM 434 CG ASP A 28 0.872 -2.150 -18.443 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.771 -1.312 -18.219 1.00 0.00 O ATOM 436 OD2 ASP A 28 -0.253 -1.831 -18.874 1.00 0.00 O ATOM 0 H ASP A 28 2.829 -2.990 -16.511 1.00 0.00 H new ATOM 0 HA ASP A 28 0.112 -3.617 -16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.181 -3.835 -18.559 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.492 -4.217 -18.829 1.00 0.00 H new ATOM 441 N ASP A 29 2.072 -6.221 -16.853 1.00 0.00 N ATOM 442 CA ASP A 29 2.097 -7.679 -16.854 1.00 0.00 C ATOM 443 C ASP A 29 1.966 -8.209 -15.430 1.00 0.00 C ATOM 444 O ASP A 29 1.280 -9.199 -15.192 1.00 0.00 O ATOM 445 CB ASP A 29 3.391 -8.200 -17.492 1.00 0.00 C ATOM 446 CG ASP A 29 3.269 -9.630 -17.995 1.00 0.00 C ATOM 447 OD1 ASP A 29 3.093 -10.555 -17.176 1.00 0.00 O ATOM 448 OD2 ASP A 29 3.353 -9.838 -19.224 1.00 0.00 O ATOM 0 H ASP A 29 2.980 -5.781 -17.002 1.00 0.00 H new ATOM 0 HA ASP A 29 1.253 -8.035 -17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.668 -7.550 -18.322 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.198 -8.145 -16.761 1.00 0.00 H new ATOM 453 N TRP A 30 2.608 -7.521 -14.486 1.00 0.00 N ATOM 454 CA TRP A 30 2.594 -7.931 -13.083 1.00 0.00 C ATOM 455 C TRP A 30 1.169 -7.981 -12.545 1.00 0.00 C ATOM 456 O TRP A 30 0.762 -8.980 -11.955 1.00 0.00 O ATOM 457 CB TRP A 30 3.446 -6.977 -12.237 1.00 0.00 C ATOM 458 CG TRP A 30 3.622 -7.421 -10.810 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.497 -8.362 -10.345 1.00 0.00 C ATOM 460 CD2 TRP A 30 2.910 -6.940 -9.660 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.373 -8.489 -8.980 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.408 -7.630 -8.540 1.00 0.00 C ATOM 463 CE3 TRP A 30 1.903 -5.992 -9.468 1.00 0.00 C ATOM 464 CZ2 TRP A 30 2.933 -7.406 -7.251 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.431 -5.772 -8.187 1.00 0.00 C ATOM 466 CH2 TRP A 30 1.947 -6.475 -7.094 1.00 0.00 C ATOM 0 H TRP A 30 3.146 -6.674 -14.669 1.00 0.00 H new ATOM 0 HA TRP A 30 3.020 -8.932 -13.020 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.428 -6.875 -12.699 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.985 -5.989 -12.246 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.185 -8.924 -10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.915 -9.123 -8.392 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.500 -5.441 -10.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.330 -7.949 -6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.649 -5.044 -8.028 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.558 -6.278 -6.106 1.00 0.00 H new ATOM 477 N ILE A 31 0.411 -6.909 -12.774 1.00 0.00 N ATOM 478 CA ILE A 31 -0.973 -6.825 -12.304 1.00 0.00 C ATOM 479 C ILE A 31 -1.799 -7.991 -12.839 1.00 0.00 C ATOM 480 O ILE A 31 -2.538 -8.639 -12.097 1.00 0.00 O ATOM 481 CB ILE A 31 -1.633 -5.492 -12.733 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.916 -4.303 -12.089 1.00 0.00 C ATOM 483 CG2 ILE A 31 -3.112 -5.478 -12.367 1.00 0.00 C ATOM 484 CD1 ILE A 31 -0.961 -4.318 -10.580 1.00 0.00 C ATOM 0 H ILE A 31 0.732 -6.085 -13.283 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.947 -6.870 -11.215 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.545 -5.405 -13.816 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.125 -4.297 -12.414 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.367 -3.378 -12.449 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.555 -4.532 -12.678 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.620 -6.300 -12.872 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.221 -5.593 -11.289 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.434 -3.447 -10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.998 -4.293 -10.247 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.483 -5.226 -10.211 1.00 0.00 H new ATOM 496 N LYS A 32 -1.642 -8.258 -14.123 1.00 0.00 N ATOM 497 CA LYS A 32 -2.363 -9.333 -14.789 1.00 0.00 C ATOM 498 C LYS A 32 -1.895 -10.704 -14.288 1.00 0.00 C ATOM 499 O LYS A 32 -2.680 -11.650 -14.207 1.00 0.00 O ATOM 500 CB LYS A 32 -2.170 -9.179 -16.310 1.00 0.00 C ATOM 501 CG LYS A 32 -2.628 -10.357 -17.167 1.00 0.00 C ATOM 502 CD LYS A 32 -1.543 -11.421 -17.315 1.00 0.00 C ATOM 503 CE LYS A 32 -0.211 -10.817 -17.739 1.00 0.00 C ATOM 504 NZ LYS A 32 0.816 -11.852 -18.016 1.00 0.00 N ATOM 0 H LYS A 32 -1.013 -7.738 -14.734 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.426 -9.269 -14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.707 -8.288 -16.636 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.112 -9.003 -16.506 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.515 -10.805 -16.720 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.916 -9.995 -18.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.418 -11.947 -16.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.857 -12.160 -18.052 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.359 -10.208 -18.631 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.150 -10.152 -16.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.701 -11.601 -17.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.481 -12.774 -17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.986 -11.907 -19.041 1.00 0.00 H new ATOM 518 N ARG A 33 -0.619 -10.800 -13.939 1.00 0.00 N ATOM 519 CA ARG A 33 -0.031 -12.069 -13.527 1.00 0.00 C ATOM 520 C ARG A 33 -0.448 -12.429 -12.105 1.00 0.00 C ATOM 521 O ARG A 33 -0.800 -13.574 -11.829 1.00 0.00 O ATOM 522 CB ARG A 33 1.495 -11.991 -13.627 1.00 0.00 C ATOM 523 CG ARG A 33 2.166 -13.256 -14.156 1.00 0.00 C ATOM 524 CD ARG A 33 2.594 -14.216 -13.052 1.00 0.00 C ATOM 525 NE ARG A 33 1.463 -14.877 -12.401 1.00 0.00 N ATOM 526 CZ ARG A 33 1.519 -16.086 -11.848 1.00 0.00 C ATOM 527 NH1 ARG A 33 2.636 -16.799 -11.908 1.00 0.00 N ATOM 528 NH2 ARG A 33 0.453 -16.586 -11.237 1.00 0.00 N ATOM 0 H ARG A 33 0.030 -10.013 -13.933 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.396 -12.850 -14.194 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.761 -11.157 -14.276 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.899 -11.768 -12.640 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.479 -13.769 -14.829 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.040 -12.977 -14.745 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.257 -14.972 -13.472 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.168 -13.669 -12.304 1.00 0.00 H new ATOM 0 HE ARG A 33 0.574 -14.379 -12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.458 -16.421 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.673 -17.725 -11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.410 -16.044 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.496 -17.513 -10.813 1.00 0.00 H new ATOM 542 N VAL A 34 -0.405 -11.460 -11.206 1.00 0.00 N ATOM 543 CA VAL A 34 -0.732 -11.722 -9.809 1.00 0.00 C ATOM 544 C VAL A 34 -2.239 -11.645 -9.567 1.00 0.00 C ATOM 545 O VAL A 34 -2.788 -12.414 -8.780 1.00 0.00 O ATOM 546 CB VAL A 34 0.012 -10.766 -8.848 1.00 0.00 C ATOM 547 CG1 VAL A 34 1.515 -10.964 -8.956 1.00 0.00 C ATOM 548 CG2 VAL A 34 -0.348 -9.312 -9.116 1.00 0.00 C ATOM 0 H VAL A 34 -0.150 -10.494 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.396 -12.737 -9.596 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.305 -11.008 -7.833 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.022 -10.283 -8.273 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.766 -11.992 -8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.837 -10.759 -9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.194 -8.669 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.076 -9.052 -10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.420 -9.171 -8.979 1.00 0.00 H new ATOM 558 N GLY A 35 -2.901 -10.718 -10.243 1.00 0.00 N ATOM 559 CA GLY A 35 -4.341 -10.596 -10.134 1.00 0.00 C ATOM 560 C GLY A 35 -4.754 -9.588 -9.081 1.00 0.00 C ATOM 561 O GLY A 35 -5.595 -8.724 -9.331 1.00 0.00 O ATOM 0 H GLY A 35 -2.463 -10.043 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.752 -10.300 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.769 -11.569 -9.890 1.00 0.00 H new ATOM 565 N ASP A 36 -4.165 -9.699 -7.906 1.00 0.00 N ATOM 566 CA ASP A 36 -4.464 -8.799 -6.804 1.00 0.00 C ATOM 567 C ASP A 36 -3.187 -8.160 -6.276 1.00 0.00 C ATOM 568 O ASP A 36 -2.083 -8.576 -6.632 1.00 0.00 O ATOM 569 CB ASP A 36 -5.180 -9.551 -5.680 1.00 0.00 C ATOM 570 CG ASP A 36 -4.444 -10.811 -5.261 1.00 0.00 C ATOM 571 OD1 ASP A 36 -3.419 -10.707 -4.564 1.00 0.00 O ATOM 572 OD2 ASP A 36 -4.890 -11.915 -5.648 1.00 0.00 O ATOM 0 H ASP A 36 -3.469 -10.411 -7.687 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.121 -8.012 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.287 -8.893 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.186 -9.814 -6.007 1.00 0.00 H new ATOM 577 N GLY A 37 -3.337 -7.134 -5.453 1.00 0.00 N ATOM 578 CA GLY A 37 -2.186 -6.484 -4.866 1.00 0.00 C ATOM 579 C GLY A 37 -2.348 -4.985 -4.796 1.00 0.00 C ATOM 580 O GLY A 37 -3.354 -4.442 -5.256 1.00 0.00 O ATOM 0 H GLY A 37 -4.237 -6.740 -5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.022 -6.877 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.298 -6.724 -5.451 1.00 0.00 H new ATOM 584 N VAL A 38 -1.365 -4.316 -4.216 1.00 0.00 N ATOM 585 CA VAL A 38 -1.393 -2.868 -4.095 1.00 0.00 C ATOM 586 C VAL A 38 -0.044 -2.258 -4.449 1.00 0.00 C ATOM 587 O VAL A 38 0.993 -2.668 -3.927 1.00 0.00 O ATOM 588 CB VAL A 38 -1.793 -2.413 -2.671 1.00 0.00 C ATOM 589 CG1 VAL A 38 -3.273 -2.642 -2.423 1.00 0.00 C ATOM 590 CG2 VAL A 38 -0.964 -3.127 -1.611 1.00 0.00 C ATOM 0 H VAL A 38 -0.534 -4.755 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.147 -2.517 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.591 -1.344 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.528 -2.314 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.856 -2.074 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.499 -3.703 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.268 -2.787 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.122 -4.203 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.092 -2.903 -1.763 1.00 0.00 H new ATOM 600 N ILE A 39 -0.060 -1.295 -5.357 1.00 0.00 N ATOM 601 CA ILE A 39 1.136 -0.527 -5.669 1.00 0.00 C ATOM 602 C ILE A 39 1.115 0.766 -4.862 1.00 0.00 C ATOM 603 O ILE A 39 0.256 1.626 -5.073 1.00 0.00 O ATOM 604 CB ILE A 39 1.265 -0.191 -7.188 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.677 -1.422 -8.009 1.00 0.00 C ATOM 606 CG2 ILE A 39 2.268 0.931 -7.416 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.606 -2.482 -8.113 1.00 0.00 C ATOM 0 H ILE A 39 -0.887 -1.026 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 39 1.998 -1.140 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 39 0.281 0.135 -7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.953 -1.100 -9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.567 -1.863 -7.560 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.338 1.145 -8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.939 1.826 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.245 0.627 -7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.977 -3.317 -8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.346 -2.835 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.278 -2.060 -8.591 1.00 0.00 H new ATOM 619 N LEU A 40 2.026 0.879 -3.912 1.00 0.00 N ATOM 620 CA LEU A 40 2.133 2.083 -3.111 1.00 0.00 C ATOM 621 C LEU A 40 3.085 3.063 -3.782 1.00 0.00 C ATOM 622 O LEU A 40 4.293 2.830 -3.851 1.00 0.00 O ATOM 623 CB LEU A 40 2.600 1.733 -1.685 1.00 0.00 C ATOM 624 CG LEU A 40 2.563 2.875 -0.652 1.00 0.00 C ATOM 625 CD1 LEU A 40 3.832 3.718 -0.705 1.00 0.00 C ATOM 626 CD2 LEU A 40 1.333 3.752 -0.862 1.00 0.00 C ATOM 0 H LEU A 40 2.701 0.152 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 40 1.154 2.557 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.981 0.916 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.622 1.358 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 40 2.504 2.421 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.771 4.514 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.696 3.089 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.937 4.155 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.326 4.552 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.360 4.183 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.432 3.148 -0.752 1.00 0.00 H new ATOM 638 N LEU A 41 2.525 4.146 -4.299 1.00 0.00 N ATOM 639 CA LEU A 41 3.315 5.202 -4.912 1.00 0.00 C ATOM 640 C LEU A 41 3.995 6.029 -3.829 1.00 0.00 C ATOM 641 O LEU A 41 3.454 6.173 -2.729 1.00 0.00 O ATOM 642 CB LEU A 41 2.437 6.112 -5.787 1.00 0.00 C ATOM 643 CG LEU A 41 1.920 5.504 -7.101 1.00 0.00 C ATOM 644 CD1 LEU A 41 0.884 4.422 -6.843 1.00 0.00 C ATOM 645 CD2 LEU A 41 1.333 6.588 -7.988 1.00 0.00 C ATOM 0 H LEU A 41 1.519 4.317 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 41 4.069 4.740 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.578 6.429 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.007 7.009 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 41 2.767 5.044 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.540 4.014 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.330 3.626 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.038 4.849 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.971 6.143 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.505 7.073 -7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.101 7.327 -8.216 1.00 0.00 H new ATOM 657 N SER A 42 5.175 6.556 -4.136 1.00 0.00 N ATOM 658 CA SER A 42 5.924 7.377 -3.193 1.00 0.00 C ATOM 659 C SER A 42 5.053 8.527 -2.692 1.00 0.00 C ATOM 660 O SER A 42 4.850 9.511 -3.396 1.00 0.00 O ATOM 661 CB SER A 42 7.178 7.913 -3.876 1.00 0.00 C ATOM 662 OG SER A 42 7.804 6.890 -4.631 1.00 0.00 O ATOM 0 H SER A 42 5.636 6.428 -5.037 1.00 0.00 H new ATOM 0 HA SER A 42 6.217 6.772 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.917 8.747 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.871 8.298 -3.128 1.00 0.00 H new ATOM 0 HG SER A 42 8.613 6.589 -4.167 1.00 0.00 H new ATOM 863 N VAL A 56 2.666 3.454 7.449 1.00 0.00 N ATOM 864 CA VAL A 56 1.689 3.708 8.525 1.00 0.00 C ATOM 865 C VAL A 56 0.272 3.233 8.165 1.00 0.00 C ATOM 866 O VAL A 56 -0.471 2.768 9.030 1.00 0.00 O ATOM 867 CB VAL A 56 1.660 5.205 8.939 1.00 0.00 C ATOM 868 CG1 VAL A 56 0.515 5.494 9.902 1.00 0.00 C ATOM 869 CG2 VAL A 56 2.987 5.610 9.566 1.00 0.00 C ATOM 0 HA VAL A 56 2.029 3.119 9.376 1.00 0.00 H new ATOM 0 HB VAL A 56 1.499 5.795 8.037 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.524 6.550 10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.433 5.250 9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.634 4.889 10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.949 6.662 9.850 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.172 5.001 10.451 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.791 5.457 8.846 1.00 0.00 H new ATOM 879 N MET A 57 -0.098 3.340 6.898 1.00 0.00 N ATOM 880 CA MET A 57 -1.444 2.978 6.472 1.00 0.00 C ATOM 881 C MET A 57 -1.464 1.657 5.707 1.00 0.00 C ATOM 882 O MET A 57 -2.463 0.949 5.723 1.00 0.00 O ATOM 883 CB MET A 57 -2.033 4.076 5.586 1.00 0.00 C ATOM 884 CG MET A 57 -2.094 5.445 6.244 1.00 0.00 C ATOM 885 SD MET A 57 -3.128 5.472 7.721 1.00 0.00 S ATOM 886 CE MET A 57 -3.007 7.200 8.174 1.00 0.00 C ATOM 0 H MET A 57 0.510 3.672 6.149 1.00 0.00 H new ATOM 0 HA MET A 57 -2.045 2.862 7.374 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.439 4.150 4.675 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.040 3.784 5.287 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.085 5.760 6.508 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.477 6.170 5.526 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.664 7.401 9.020 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.978 7.433 8.450 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.305 7.820 7.328 1.00 0.00 H new ATOM 896 N ILE A 58 -0.358 1.320 5.053 1.00 0.00 N ATOM 897 CA ILE A 58 -0.349 0.208 4.097 1.00 0.00 C ATOM 898 C ILE A 58 -0.223 -1.155 4.789 1.00 0.00 C ATOM 899 O ILE A 58 -1.114 -1.997 4.677 1.00 0.00 O ATOM 900 CB ILE A 58 0.774 0.352 3.034 1.00 0.00 C ATOM 901 CG1 ILE A 58 0.528 1.571 2.131 1.00 0.00 C ATOM 902 CG2 ILE A 58 0.873 -0.910 2.182 1.00 0.00 C ATOM 903 CD1 ILE A 58 0.800 2.908 2.789 1.00 0.00 C ATOM 0 H ILE A 58 0.539 1.793 5.162 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.314 0.253 3.592 1.00 0.00 H new ATOM 0 HB ILE A 58 1.715 0.498 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.156 1.483 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.508 1.552 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.665 -0.789 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.100 -1.764 2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.075 -1.080 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.600 3.710 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.153 3.024 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.843 2.953 3.103 1.00 0.00 H new ATOM 915 N ALA A 59 0.878 -1.375 5.495 1.00 0.00 N ATOM 916 CA ALA A 59 1.126 -2.672 6.125 1.00 0.00 C ATOM 917 C ALA A 59 0.179 -2.883 7.296 1.00 0.00 C ATOM 918 O ALA A 59 -0.263 -4.001 7.576 1.00 0.00 O ATOM 919 CB ALA A 59 2.574 -2.772 6.587 1.00 0.00 C ATOM 0 H ALA A 59 1.610 -0.681 5.647 1.00 0.00 H new ATOM 0 HA ALA A 59 0.944 -3.454 5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.741 -3.743 7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.238 -2.662 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.781 -1.982 7.309 1.00 0.00 H new ATOM 925 N GLU A 60 -0.128 -1.790 7.965 1.00 0.00 N ATOM 926 CA GLU A 60 -1.027 -1.791 9.094 1.00 0.00 C ATOM 927 C GLU A 60 -2.447 -2.143 8.644 1.00 0.00 C ATOM 928 O GLU A 60 -3.217 -2.745 9.394 1.00 0.00 O ATOM 929 CB GLU A 60 -0.988 -0.419 9.772 1.00 0.00 C ATOM 930 CG GLU A 60 0.353 -0.075 10.434 1.00 0.00 C ATOM 931 CD GLU A 60 1.539 -0.032 9.472 1.00 0.00 C ATOM 932 OE1 GLU A 60 1.366 0.397 8.305 1.00 0.00 O ATOM 933 OE2 GLU A 60 2.652 -0.429 9.879 1.00 0.00 O ATOM 0 H GLU A 60 0.245 -0.869 7.735 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.710 -2.547 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.220 0.346 9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.773 -0.378 10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.264 0.894 10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.559 -0.809 11.213 1.00 0.00 H new ATOM 940 N LEU A 61 -2.774 -1.767 7.408 1.00 0.00 N ATOM 941 CA LEU A 61 -4.044 -2.134 6.785 1.00 0.00 C ATOM 942 C LEU A 61 -4.143 -3.647 6.667 1.00 0.00 C ATOM 943 O LEU A 61 -5.109 -4.265 7.117 1.00 0.00 O ATOM 944 CB LEU A 61 -4.128 -1.516 5.388 1.00 0.00 C ATOM 945 CG LEU A 61 -5.465 -1.682 4.661 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.563 -0.901 5.362 1.00 0.00 C ATOM 947 CD2 LEU A 61 -5.340 -1.240 3.212 1.00 0.00 C ATOM 0 H LEU A 61 -2.168 -1.202 6.813 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.862 -1.763 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.911 -0.451 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.344 -1.955 4.770 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.734 -2.738 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.503 -1.035 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.672 -1.264 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.303 0.157 5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.299 -1.365 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.045 -0.191 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.586 -1.847 2.710 1.00 0.00 H new ATOM 959 N LEU A 62 -3.115 -4.227 6.064 1.00 0.00 N ATOM 960 CA LEU A 62 -3.051 -5.670 5.839 1.00 0.00 C ATOM 961 C LEU A 62 -3.127 -6.435 7.157 1.00 0.00 C ATOM 962 O LEU A 62 -3.753 -7.494 7.231 1.00 0.00 O ATOM 963 CB LEU A 62 -1.757 -6.036 5.104 1.00 0.00 C ATOM 964 CG LEU A 62 -1.566 -7.532 4.820 1.00 0.00 C ATOM 965 CD1 LEU A 62 -2.628 -8.038 3.857 1.00 0.00 C ATOM 966 CD2 LEU A 62 -0.174 -7.800 4.265 1.00 0.00 C ATOM 0 H LEU A 62 -2.303 -3.716 5.717 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.907 -5.951 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.731 -5.497 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.911 -5.684 5.694 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.672 -8.071 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.473 -9.101 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.616 -7.886 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.558 -7.490 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.059 -8.866 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.039 -7.245 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.575 -7.481 4.990 1.00 0.00 H new ATOM 978 N ARG A 63 -2.497 -5.881 8.191 1.00 0.00 N ATOM 979 CA ARG A 63 -2.457 -6.508 9.510 1.00 0.00 C ATOM 980 C ARG A 63 -3.844 -6.873 10.034 1.00 0.00 C ATOM 981 O ARG A 63 -3.990 -7.843 10.778 1.00 0.00 O ATOM 982 CB ARG A 63 -1.765 -5.589 10.514 1.00 0.00 C ATOM 983 CG ARG A 63 -0.314 -5.949 10.776 1.00 0.00 C ATOM 984 CD ARG A 63 0.260 -5.097 11.893 1.00 0.00 C ATOM 985 NE ARG A 63 1.486 -5.663 12.450 1.00 0.00 N ATOM 986 CZ ARG A 63 2.062 -5.216 13.563 1.00 0.00 C ATOM 987 NH1 ARG A 63 1.544 -4.173 14.205 1.00 0.00 N ATOM 988 NH2 ARG A 63 3.157 -5.810 14.021 1.00 0.00 N ATOM 0 H ARG A 63 -2.003 -4.990 8.139 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.893 -7.434 9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.815 -4.564 10.148 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.312 -5.618 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.239 -7.003 11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.270 -5.807 9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.465 -4.096 11.514 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.482 -4.993 12.685 1.00 0.00 H new ATOM 0 HE ARG A 63 1.924 -6.443 11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.706 -3.717 13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.984 -3.829 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.553 -6.605 13.520 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.602 -5.471 14.874 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.855 -6.103 9.669 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.194 -6.374 10.132 1.00 0.00 C ATOM 1004 C GLU A 64 -7.169 -6.559 8.975 1.00 0.00 C ATOM 1005 O GLU A 64 -8.365 -6.300 9.120 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.665 -5.269 11.070 1.00 0.00 C ATOM 1007 CG GLU A 64 -6.538 -3.863 10.517 1.00 0.00 C ATOM 1008 CD GLU A 64 -7.001 -2.834 11.521 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -8.225 -2.615 11.633 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -6.145 -2.263 12.231 1.00 0.00 O ATOM 0 H GLU A 64 -4.770 -5.291 9.057 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.170 -7.314 10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.709 -5.450 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.095 -5.332 11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.500 -3.669 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.127 -3.774 9.604 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.662 -6.996 7.824 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.533 -7.353 6.709 1.00 0.00 C ATOM 1019 C PHE A 65 -7.820 -8.850 6.720 1.00 0.00 C ATOM 1020 O PHE A 65 -6.977 -9.653 6.319 1.00 0.00 O ATOM 1021 CB PHE A 65 -6.929 -6.959 5.356 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.728 -5.913 4.633 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -9.110 -5.995 4.575 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -7.098 -4.852 4.007 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -9.848 -5.037 3.908 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -7.831 -3.891 3.338 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.207 -3.984 3.288 1.00 0.00 C ATOM 0 H PHE A 65 -5.665 -7.110 7.641 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.462 -6.797 6.838 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.915 -6.589 5.512 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.852 -7.846 4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.616 -6.818 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.021 -4.774 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -10.925 -5.112 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.327 -3.067 2.854 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.781 -3.234 2.764 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.010 -9.244 7.200 1.00 0.00 N ATOM 1038 CA PRO A 66 -9.447 -10.632 7.218 1.00 0.00 C ATOM 1039 C PRO A 66 -10.187 -10.985 5.938 1.00 0.00 C ATOM 1040 O PRO A 66 -10.828 -12.030 5.835 1.00 0.00 O ATOM 1041 CB PRO A 66 -10.396 -10.691 8.424 1.00 0.00 C ATOM 1042 CG PRO A 66 -10.661 -9.267 8.827 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.034 -8.379 7.783 1.00 0.00 C ATOM 0 HA PRO A 66 -8.618 -11.336 7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.324 -11.200 8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.946 -11.249 9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.733 -9.081 8.896 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.238 -9.061 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.761 -8.053 7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.602 -7.480 8.222 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.101 -10.086 4.969 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.760 -10.262 3.689 1.00 0.00 C ATOM 1053 C GLN A 67 -9.979 -11.277 2.858 1.00 0.00 C ATOM 1054 O GLN A 67 -10.529 -12.280 2.398 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.843 -8.908 2.968 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.069 -8.726 2.078 1.00 0.00 C ATOM 1057 CD GLN A 67 -12.210 -9.792 1.010 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -11.646 -9.676 -0.077 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -12.988 -10.822 1.301 1.00 0.00 N ATOM 0 H GLN A 67 -9.573 -9.217 5.050 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.773 -10.637 3.835 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.834 -8.114 3.715 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.948 -8.782 2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.963 -8.728 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.017 -7.748 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.437 -10.880 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.139 -11.558 0.611 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.684 -11.021 2.702 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.812 -11.883 1.917 1.00 0.00 C ATOM 1070 C PHE A 68 -6.363 -11.429 2.052 1.00 0.00 C ATOM 1071 O PHE A 68 -6.079 -10.436 2.728 1.00 0.00 O ATOM 1072 CB PHE A 68 -8.236 -11.893 0.436 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.052 -10.585 -0.304 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -8.240 -9.358 0.325 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -7.711 -10.594 -1.646 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -8.091 -8.177 -0.373 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -7.558 -9.414 -2.346 1.00 0.00 C ATOM 1078 CZ PHE A 68 -7.748 -8.205 -1.709 1.00 0.00 C ATOM 0 H PHE A 68 -8.213 -10.215 3.114 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.900 -12.899 2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.668 -12.666 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.287 -12.178 0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.506 -9.330 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.563 -11.537 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.243 -7.231 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.290 -9.437 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.628 -7.281 -2.256 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.457 -12.159 1.421 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.050 -11.799 1.404 1.00 0.00 C ATOM 1090 C ASP A 69 -3.644 -11.442 -0.016 1.00 0.00 C ATOM 1091 O ASP A 69 -4.090 -12.082 -0.970 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.178 -12.943 1.939 1.00 0.00 C ATOM 1093 CG ASP A 69 -3.294 -13.122 3.443 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.231 -13.819 3.900 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -2.447 -12.573 4.179 1.00 0.00 O ATOM 0 H ASP A 69 -5.676 -13.014 0.909 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.899 -10.938 2.056 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.463 -13.872 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.137 -12.751 1.680 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.808 -10.426 -0.151 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.454 -9.894 -1.458 1.00 0.00 C ATOM 1102 C TRP A 70 -1.057 -9.277 -1.459 1.00 0.00 C ATOM 1103 O TRP A 70 -0.469 -9.031 -0.400 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.500 -8.878 -1.946 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.912 -7.808 -0.959 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.683 -7.759 0.391 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.668 -6.634 -1.271 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.251 -6.629 0.928 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.860 -5.921 -0.072 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -5.201 -6.118 -2.454 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.565 -4.721 -0.024 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.898 -4.929 -2.406 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -6.075 -4.240 -1.199 1.00 0.00 C ATOM 0 H TRP A 70 -2.360 -9.951 0.632 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.443 -10.733 -2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.110 -8.388 -2.838 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.393 -9.426 -2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.135 -8.502 0.952 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.223 -6.361 1.912 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.070 -6.641 -3.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.704 -4.190 0.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.315 -4.522 -3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.625 -3.311 -1.196 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.536 -9.036 -2.659 1.00 0.00 N ATOM 1125 CA GLN A 71 0.836 -8.568 -2.838 1.00 0.00 C ATOM 1126 C GLN A 71 0.980 -7.105 -2.434 1.00 0.00 C ATOM 1127 O GLN A 71 0.400 -6.215 -3.057 1.00 0.00 O ATOM 1128 CB GLN A 71 1.294 -8.737 -4.299 1.00 0.00 C ATOM 1129 CG GLN A 71 1.443 -10.179 -4.781 1.00 0.00 C ATOM 1130 CD GLN A 71 0.185 -11.011 -4.610 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.749 -10.865 -5.535 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 0.040 -11.738 -3.631 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.050 -9.159 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 71 1.467 -9.178 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.579 -8.228 -4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.252 -8.231 -4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.725 -10.174 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.259 -10.653 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.788 -11.821 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.828 -12.259 -3.507 1.00 0.00 H new ATOM 1141 N VAL A 72 1.749 -6.867 -1.386 1.00 0.00 N ATOM 1142 CA VAL A 72 2.058 -5.513 -0.959 1.00 0.00 C ATOM 1143 C VAL A 72 3.315 -5.015 -1.670 1.00 0.00 C ATOM 1144 O VAL A 72 4.402 -5.578 -1.505 1.00 0.00 O ATOM 1145 CB VAL A 72 2.256 -5.433 0.568 1.00 0.00 C ATOM 1146 CG1 VAL A 72 2.563 -4.006 0.998 1.00 0.00 C ATOM 1147 CG2 VAL A 72 1.027 -5.957 1.293 1.00 0.00 C ATOM 0 H VAL A 72 2.173 -7.597 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 72 1.212 -4.879 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 72 3.107 -6.059 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.699 -3.973 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.475 -3.666 0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.735 -3.355 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.185 -5.893 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.159 -5.358 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.855 -6.996 1.013 1.00 0.00 H new ATOM 1157 N ALA A 73 3.160 -3.978 -2.474 1.00 0.00 N ATOM 1158 CA ALA A 73 4.257 -3.457 -3.264 1.00 0.00 C ATOM 1159 C ALA A 73 4.426 -1.958 -3.050 1.00 0.00 C ATOM 1160 O ALA A 73 3.494 -1.275 -2.625 1.00 0.00 O ATOM 1161 CB ALA A 73 4.026 -3.755 -4.731 1.00 0.00 C ATOM 0 H ALA A 73 2.279 -3.479 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 73 5.174 -3.948 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.855 -3.360 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.959 -4.833 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.097 -3.287 -5.055 1.00 0.00 H new ATOM 1167 N VAL A 74 5.609 -1.456 -3.363 1.00 0.00 N ATOM 1168 CA VAL A 74 5.921 -0.044 -3.185 1.00 0.00 C ATOM 1169 C VAL A 74 6.846 0.438 -4.306 1.00 0.00 C ATOM 1170 O VAL A 74 7.616 -0.345 -4.857 1.00 0.00 O ATOM 1171 CB VAL A 74 6.581 0.204 -1.804 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.904 -0.536 -1.693 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.775 1.688 -1.540 1.00 0.00 C ATOM 0 H VAL A 74 6.376 -2.009 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 74 4.990 0.521 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 74 5.905 -0.186 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.347 -0.346 -0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.734 -1.606 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.582 -0.188 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.240 1.826 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.417 2.114 -2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.808 2.190 -1.556 1.00 0.00 H new ATOM 1183 N ALA A 75 6.737 1.708 -4.667 1.00 0.00 N ATOM 1184 CA ALA A 75 7.615 2.294 -5.672 1.00 0.00 C ATOM 1185 C ALA A 75 8.720 3.105 -5.003 1.00 0.00 C ATOM 1186 O ALA A 75 8.574 3.539 -3.861 1.00 0.00 O ATOM 1187 CB ALA A 75 6.818 3.166 -6.635 1.00 0.00 C ATOM 0 H ALA A 75 6.049 2.354 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 75 8.076 1.487 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.490 3.595 -7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.063 2.559 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.330 3.968 -6.081 1.00 0.00 H new ATOM 1193 N ASP A 76 9.825 3.295 -5.717 1.00 0.00 N ATOM 1194 CA ASP A 76 10.964 4.044 -5.193 1.00 0.00 C ATOM 1195 C ASP A 76 10.625 5.524 -5.007 1.00 0.00 C ATOM 1196 O ASP A 76 10.266 5.953 -3.910 1.00 0.00 O ATOM 1197 CB ASP A 76 12.196 3.867 -6.100 1.00 0.00 C ATOM 1198 CG ASP A 76 11.878 3.958 -7.584 1.00 0.00 C ATOM 1199 OD1 ASP A 76 11.837 5.084 -8.131 1.00 0.00 O ATOM 1200 OD2 ASP A 76 11.679 2.900 -8.213 1.00 0.00 O ATOM 0 H ASP A 76 9.957 2.939 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 76 11.204 3.640 -4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.935 4.628 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.653 2.899 -5.894 1.00 0.00 H new ATOM 1205 N LEU A 77 10.727 6.296 -6.076 1.00 0.00 N ATOM 1206 CA LEU A 77 10.426 7.720 -6.038 1.00 0.00 C ATOM 1207 C LEU A 77 10.170 8.228 -7.450 1.00 0.00 C ATOM 1208 O LEU A 77 9.163 8.882 -7.719 1.00 0.00 O ATOM 1209 CB LEU A 77 11.588 8.491 -5.400 1.00 0.00 C ATOM 1210 CG LEU A 77 11.360 9.994 -5.230 1.00 0.00 C ATOM 1211 CD1 LEU A 77 10.186 10.258 -4.299 1.00 0.00 C ATOM 1212 CD2 LEU A 77 12.621 10.670 -4.711 1.00 0.00 C ATOM 0 H LEU A 77 11.020 5.956 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 77 9.532 7.879 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.795 8.059 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.479 8.342 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 77 11.121 10.417 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.041 11.333 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.284 9.810 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.391 9.820 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.440 11.739 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.892 10.242 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.435 10.514 -5.419 1.00 0.00 H new ATOM 1224 N GLU A 78 11.082 7.887 -8.348 1.00 0.00 N ATOM 1225 CA GLU A 78 10.991 8.290 -9.745 1.00 0.00 C ATOM 1226 C GLU A 78 9.786 7.638 -10.411 1.00 0.00 C ATOM 1227 O GLU A 78 8.983 8.298 -11.074 1.00 0.00 O ATOM 1228 CB GLU A 78 12.268 7.874 -10.472 1.00 0.00 C ATOM 1229 CG GLU A 78 12.299 8.248 -11.943 1.00 0.00 C ATOM 1230 CD GLU A 78 13.458 7.601 -12.668 1.00 0.00 C ATOM 1231 OE1 GLU A 78 14.619 7.928 -12.349 1.00 0.00 O ATOM 1232 OE2 GLU A 78 13.218 6.748 -13.547 1.00 0.00 O ATOM 0 H GLU A 78 11.905 7.324 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 78 10.872 9.372 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.122 8.334 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.389 6.795 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.363 7.946 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.370 9.331 -12.040 1.00 0.00 H new ATOM 1239 N GLN A 79 9.655 6.339 -10.190 1.00 0.00 N ATOM 1240 CA GLN A 79 8.638 5.542 -10.854 1.00 0.00 C ATOM 1241 C GLN A 79 7.232 5.883 -10.378 1.00 0.00 C ATOM 1242 O GLN A 79 6.263 5.617 -11.083 1.00 0.00 O ATOM 1243 CB GLN A 79 8.925 4.058 -10.669 1.00 0.00 C ATOM 1244 CG GLN A 79 10.265 3.644 -11.245 1.00 0.00 C ATOM 1245 CD GLN A 79 10.382 2.148 -11.411 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.050 1.607 -12.465 1.00 0.00 O ATOM 1247 NE2 GLN A 79 10.845 1.472 -10.375 1.00 0.00 N ATOM 0 H GLN A 79 10.247 5.811 -9.549 1.00 0.00 H new ATOM 0 HA GLN A 79 8.679 5.783 -11.916 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.901 3.817 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.135 3.477 -11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.406 4.126 -12.212 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.063 3.998 -10.592 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.108 1.964 -9.521 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.940 0.458 -10.429 1.00 0.00 H new ATOM 1256 N SER A 80 7.125 6.455 -9.181 1.00 0.00 N ATOM 1257 CA SER A 80 5.838 6.890 -8.645 1.00 0.00 C ATOM 1258 C SER A 80 5.081 7.746 -9.669 1.00 0.00 C ATOM 1259 O SER A 80 3.875 7.585 -9.857 1.00 0.00 O ATOM 1260 CB SER A 80 6.066 7.685 -7.354 1.00 0.00 C ATOM 1261 OG SER A 80 4.844 8.015 -6.722 1.00 0.00 O ATOM 0 H SER A 80 7.917 6.628 -8.562 1.00 0.00 H new ATOM 0 HA SER A 80 5.232 6.011 -8.428 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.683 7.101 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.617 8.598 -7.581 1.00 0.00 H new ATOM 0 HG SER A 80 5.026 8.520 -5.902 1.00 0.00 H new ATOM 1267 N GLU A 81 5.809 8.622 -10.360 1.00 0.00 N ATOM 1268 CA GLU A 81 5.214 9.494 -11.362 1.00 0.00 C ATOM 1269 C GLU A 81 4.778 8.689 -12.584 1.00 0.00 C ATOM 1270 O GLU A 81 3.680 8.882 -13.106 1.00 0.00 O ATOM 1271 CB GLU A 81 6.217 10.576 -11.773 1.00 0.00 C ATOM 1272 CG GLU A 81 5.648 11.602 -12.737 1.00 0.00 C ATOM 1273 CD GLU A 81 6.663 12.654 -13.125 1.00 0.00 C ATOM 1274 OE1 GLU A 81 6.996 13.505 -12.274 1.00 0.00 O ATOM 1275 OE2 GLU A 81 7.138 12.636 -14.277 1.00 0.00 O ATOM 0 H GLU A 81 6.815 8.744 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 81 4.333 9.969 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.572 11.088 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.083 10.100 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.293 11.095 -13.634 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.784 12.085 -12.281 1.00 0.00 H new ATOM 1282 N ALA A 82 5.635 7.769 -13.015 1.00 0.00 N ATOM 1283 CA ALA A 82 5.372 6.966 -14.202 1.00 0.00 C ATOM 1284 C ALA A 82 4.195 6.019 -13.990 1.00 0.00 C ATOM 1285 O ALA A 82 3.349 5.865 -14.870 1.00 0.00 O ATOM 1286 CB ALA A 82 6.619 6.189 -14.594 1.00 0.00 C ATOM 0 H ALA A 82 6.522 7.561 -12.556 1.00 0.00 H new ATOM 0 HA ALA A 82 5.105 7.643 -15.013 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.412 5.592 -15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.430 6.886 -14.806 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.910 5.531 -13.775 1.00 0.00 H new ATOM 1292 N ILE A 83 4.138 5.390 -12.821 1.00 0.00 N ATOM 1293 CA ILE A 83 3.057 4.463 -12.516 1.00 0.00 C ATOM 1294 C ILE A 83 1.730 5.208 -12.434 1.00 0.00 C ATOM 1295 O ILE A 83 0.708 4.732 -12.926 1.00 0.00 O ATOM 1296 CB ILE A 83 3.302 3.701 -11.195 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.610 2.907 -11.276 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.128 2.772 -10.897 1.00 0.00 C ATOM 1299 CD1 ILE A 83 4.983 2.202 -9.987 1.00 0.00 C ATOM 0 H ILE A 83 4.823 5.505 -12.074 1.00 0.00 H new ATOM 0 HA ILE A 83 3.022 3.733 -13.324 1.00 0.00 H new ATOM 0 HB ILE A 83 3.386 4.423 -10.383 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.525 2.167 -12.072 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.418 3.584 -11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.313 2.240 -9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.214 3.359 -10.806 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.018 2.053 -11.708 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.920 1.662 -10.125 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.102 2.937 -9.191 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.196 1.498 -9.716 1.00 0.00 H new ATOM 1311 N GLY A 84 1.754 6.388 -11.832 1.00 0.00 N ATOM 1312 CA GLY A 84 0.557 7.199 -11.758 1.00 0.00 C ATOM 1313 C GLY A 84 0.071 7.613 -13.136 1.00 0.00 C ATOM 1314 O GLY A 84 -1.121 7.526 -13.437 1.00 0.00 O ATOM 0 H GLY A 84 2.579 6.798 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.229 6.642 -11.248 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.757 8.088 -11.160 1.00 0.00 H new ATOM 1318 N ASP A 85 1.009 8.033 -13.978 1.00 0.00 N ATOM 1319 CA ASP A 85 0.697 8.491 -15.334 1.00 0.00 C ATOM 1320 C ASP A 85 0.219 7.334 -16.201 1.00 0.00 C ATOM 1321 O ASP A 85 -0.570 7.524 -17.132 1.00 0.00 O ATOM 1322 CB ASP A 85 1.931 9.133 -15.963 1.00 0.00 C ATOM 1323 CG ASP A 85 1.599 9.949 -17.196 1.00 0.00 C ATOM 1324 OD1 ASP A 85 1.005 11.040 -17.044 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.940 9.516 -18.317 1.00 0.00 O ATOM 0 H ASP A 85 2.002 8.067 -13.745 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.103 9.228 -15.271 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.417 9.774 -15.228 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.646 8.354 -16.229 1.00 0.00 H new ATOM 1330 N ARG A 86 0.728 6.144 -15.890 1.00 0.00 N ATOM 1331 CA ARG A 86 0.316 4.895 -16.544 1.00 0.00 C ATOM 1332 C ARG A 86 -1.203 4.811 -16.646 1.00 0.00 C ATOM 1333 O ARG A 86 -1.751 4.366 -17.654 1.00 0.00 O ATOM 1334 CB ARG A 86 0.843 3.700 -15.744 1.00 0.00 C ATOM 1335 CG ARG A 86 0.491 2.328 -16.310 1.00 0.00 C ATOM 1336 CD ARG A 86 1.283 1.988 -17.565 1.00 0.00 C ATOM 1337 NE ARG A 86 0.743 2.625 -18.765 1.00 0.00 N ATOM 1338 CZ ARG A 86 0.576 1.992 -19.925 1.00 0.00 C ATOM 1339 NH1 ARG A 86 0.892 0.708 -20.044 1.00 0.00 N ATOM 1340 NH2 ARG A 86 0.080 2.648 -20.965 1.00 0.00 N ATOM 0 H ARG A 86 1.442 6.014 -15.174 1.00 0.00 H new ATOM 0 HA ARG A 86 0.732 4.878 -17.551 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.928 3.779 -15.677 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.455 3.765 -14.727 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.677 1.568 -15.551 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.574 2.296 -16.538 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.319 2.297 -17.430 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.288 0.907 -17.704 1.00 0.00 H new ATOM 0 HE ARG A 86 0.479 3.609 -18.711 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.266 0.198 -19.243 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.761 0.231 -20.936 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.172 3.632 -20.874 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.050 2.168 -21.856 1.00 0.00 H new ATOM 1354 N PHE A 87 -1.878 5.236 -15.591 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.329 5.291 -15.598 1.00 0.00 C ATOM 1356 C PHE A 87 -3.778 6.703 -15.947 1.00 0.00 C ATOM 1357 O PHE A 87 -4.141 6.981 -17.092 1.00 0.00 O ATOM 1358 CB PHE A 87 -3.899 4.883 -14.236 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.116 3.798 -13.554 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.135 2.497 -14.026 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -2.350 4.091 -12.441 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.402 1.507 -13.399 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -1.615 3.109 -11.812 1.00 0.00 C ATOM 1364 CZ PHE A 87 -1.640 1.814 -12.289 1.00 0.00 C ATOM 0 H PHE A 87 -1.445 5.547 -14.721 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.702 4.590 -16.345 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -3.930 5.759 -13.588 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.928 4.548 -14.368 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.729 2.253 -14.894 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.327 5.101 -12.060 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.425 0.495 -13.776 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.019 3.353 -10.945 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.066 1.044 -11.796 1.00 0.00 H new ATOM 1374 N ASN A 88 -3.718 7.590 -14.954 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.046 8.998 -15.127 1.00 0.00 C ATOM 1376 C ASN A 88 -3.955 9.753 -13.800 1.00 0.00 C ATOM 1377 O ASN A 88 -4.524 10.838 -13.653 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.445 9.170 -15.723 1.00 0.00 C ATOM 1379 CG ASN A 88 -6.557 8.673 -14.816 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -6.913 7.495 -14.839 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -7.127 9.571 -14.027 1.00 0.00 N ATOM 0 H ASN A 88 -3.439 7.347 -14.004 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.316 9.417 -15.820 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.610 10.225 -15.942 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.495 8.636 -16.672 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.890 9.296 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.803 10.538 -14.037 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.210 9.204 -12.848 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.120 9.788 -11.518 1.00 0.00 C ATOM 1390 C VAL A 89 -1.796 10.524 -11.368 1.00 0.00 C ATOM 1391 O VAL A 89 -0.767 9.923 -11.073 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.245 8.715 -10.411 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.293 9.364 -9.032 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.472 7.840 -10.643 1.00 0.00 C ATOM 0 H VAL A 89 -2.660 8.355 -12.974 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.950 10.486 -11.404 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.362 8.077 -10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.381 8.591 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.379 9.935 -8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.153 10.031 -8.974 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.540 7.092 -9.853 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.368 8.460 -10.634 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.386 7.341 -11.608 1.00 0.00 H new ATOM 1404 N ARG A 90 -1.825 11.825 -11.591 1.00 0.00 N ATOM 1405 CA ARG A 90 -0.604 12.616 -11.599 1.00 0.00 C ATOM 1406 C ARG A 90 -0.715 13.821 -10.672 1.00 0.00 C ATOM 1407 O ARG A 90 -0.132 14.873 -10.928 1.00 0.00 O ATOM 1408 CB ARG A 90 -0.295 13.053 -13.031 1.00 0.00 C ATOM 1409 CG ARG A 90 -1.413 13.851 -13.686 1.00 0.00 C ATOM 1410 CD ARG A 90 -1.155 14.054 -15.168 1.00 0.00 C ATOM 1411 NE ARG A 90 0.143 14.673 -15.427 1.00 0.00 N ATOM 1412 CZ ARG A 90 0.469 15.253 -16.580 1.00 0.00 C ATOM 1413 NH1 ARG A 90 -0.410 15.318 -17.569 1.00 0.00 N ATOM 1414 NH2 ARG A 90 1.676 15.767 -16.751 1.00 0.00 N ATOM 0 H ARG A 90 -2.677 12.357 -11.769 1.00 0.00 H new ATOM 0 HA ARG A 90 0.215 12.001 -11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.614 13.654 -13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.091 12.169 -13.635 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.361 13.332 -13.548 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.506 14.820 -13.195 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.204 13.092 -15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.943 14.678 -15.589 1.00 0.00 H new ATOM 0 HE ARG A 90 0.839 14.660 -14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -1.343 14.922 -17.449 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.154 15.764 -18.450 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.362 15.720 -15.997 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.921 16.210 -17.636 1.00 0.00 H new ATOM 1428 N ARG A 91 -1.455 13.651 -9.584 1.00 0.00 N ATOM 1429 CA ARG A 91 -1.607 14.712 -8.595 1.00 0.00 C ATOM 1430 C ARG A 91 -0.942 14.322 -7.281 1.00 0.00 C ATOM 1431 O ARG A 91 0.171 14.749 -6.984 1.00 0.00 O ATOM 1432 CB ARG A 91 -3.083 15.026 -8.343 1.00 0.00 C ATOM 1433 CG ARG A 91 -3.809 15.612 -9.541 1.00 0.00 C ATOM 1434 CD ARG A 91 -5.245 15.967 -9.188 1.00 0.00 C ATOM 1435 NE ARG A 91 -5.955 16.572 -10.309 1.00 0.00 N ATOM 1436 CZ ARG A 91 -7.009 17.378 -10.172 1.00 0.00 C ATOM 1437 NH1 ARG A 91 -7.490 17.653 -8.965 1.00 0.00 N ATOM 1438 NH2 ARG A 91 -7.586 17.903 -11.243 1.00 0.00 N ATOM 0 H ARG A 91 -1.958 12.792 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.122 15.603 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.590 14.111 -8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.157 15.725 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.285 16.503 -9.888 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.799 14.896 -10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.772 15.068 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.250 16.655 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.627 16.367 -11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.053 17.247 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.296 18.270 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.224 17.691 -12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.392 18.519 -11.138 1.00 0.00 H new ATOM 1452 N PHE A 92 -1.631 13.498 -6.506 1.00 0.00 N ATOM 1453 CA PHE A 92 -1.127 13.055 -5.218 1.00 0.00 C ATOM 1454 C PHE A 92 -1.092 11.536 -5.165 1.00 0.00 C ATOM 1455 O PHE A 92 -2.015 10.874 -5.641 1.00 0.00 O ATOM 1456 CB PHE A 92 -1.991 13.607 -4.078 1.00 0.00 C ATOM 1457 CG PHE A 92 -1.934 15.104 -3.943 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -0.930 15.707 -3.203 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -2.881 15.907 -4.560 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -0.870 17.081 -3.080 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -2.825 17.282 -4.440 1.00 0.00 C ATOM 1462 CZ PHE A 92 -1.819 17.870 -3.699 1.00 0.00 C ATOM 0 H PHE A 92 -2.547 13.121 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.113 13.436 -5.094 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.026 13.305 -4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.670 13.154 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.185 15.095 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.671 15.453 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.082 17.538 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.568 17.897 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.775 18.945 -3.604 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.019 10.970 -4.605 1.00 0.00 N ATOM 1473 CA PRO A 93 0.168 9.522 -4.514 1.00 0.00 C ATOM 1474 C PRO A 93 -0.714 8.888 -3.443 1.00 0.00 C ATOM 1475 O PRO A 93 -1.085 9.537 -2.461 1.00 0.00 O ATOM 1476 CB PRO A 93 1.653 9.368 -4.141 1.00 0.00 C ATOM 1477 CG PRO A 93 2.242 10.736 -4.270 1.00 0.00 C ATOM 1478 CD PRO A 93 1.115 11.690 -4.025 1.00 0.00 C ATOM 0 HA PRO A 93 -0.105 9.022 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.765 8.987 -3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.153 8.662 -4.804 1.00 0.00 H new ATOM 0 HG2 PRO A 93 3.045 10.886 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.672 10.885 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.972 11.890 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.280 12.652 -4.511 1.00 0.00 H new ATOM 1486 N ALA A 94 -1.037 7.617 -3.640 1.00 0.00 N ATOM 1487 CA ALA A 94 -1.869 6.873 -2.708 1.00 0.00 C ATOM 1488 C ALA A 94 -1.633 5.377 -2.876 1.00 0.00 C ATOM 1489 O ALA A 94 -0.725 4.964 -3.600 1.00 0.00 O ATOM 1490 CB ALA A 94 -3.341 7.206 -2.920 1.00 0.00 C ATOM 0 H ALA A 94 -0.730 7.075 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.597 7.160 -1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.948 6.640 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.499 8.273 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.630 6.944 -3.938 1.00 0.00 H new ATOM 1496 N THR A 95 -2.439 4.570 -2.204 1.00 0.00 N ATOM 1497 CA THR A 95 -2.348 3.127 -2.334 1.00 0.00 C ATOM 1498 C THR A 95 -3.393 2.643 -3.330 1.00 0.00 C ATOM 1499 O THR A 95 -4.587 2.818 -3.113 1.00 0.00 O ATOM 1500 CB THR A 95 -2.575 2.438 -0.975 1.00 0.00 C ATOM 1501 OG1 THR A 95 -1.822 3.116 0.039 1.00 0.00 O ATOM 1502 CG2 THR A 95 -2.158 0.972 -1.026 1.00 0.00 C ATOM 0 H THR A 95 -3.164 4.892 -1.563 1.00 0.00 H new ATOM 0 HA THR A 95 -1.349 2.872 -2.688 1.00 0.00 H new ATOM 0 HB THR A 95 -3.639 2.484 -0.741 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.089 2.784 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.329 0.511 -0.053 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.746 0.452 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.100 0.903 -1.279 1.00 0.00 H new ATOM 1510 N LEU A 96 -2.953 2.060 -4.429 1.00 0.00 N ATOM 1511 CA LEU A 96 -3.875 1.645 -5.470 1.00 0.00 C ATOM 1512 C LEU A 96 -4.309 0.197 -5.265 1.00 0.00 C ATOM 1513 O LEU A 96 -3.479 -0.693 -5.095 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.232 1.825 -6.841 1.00 0.00 C ATOM 1515 CG LEU A 96 -2.832 3.262 -7.182 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -2.139 3.315 -8.531 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -4.052 4.173 -7.173 1.00 0.00 C ATOM 0 H LEU A 96 -1.971 1.864 -4.624 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.764 2.273 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.345 1.194 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.926 1.466 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.134 3.614 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.862 4.345 -8.757 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.243 2.695 -8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.814 2.943 -9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.748 5.191 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.773 3.822 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.509 4.159 -6.184 1.00 0.00 H new ATOM 1529 N VAL A 97 -5.617 -0.021 -5.283 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.189 -1.333 -5.026 1.00 0.00 C ATOM 1531 C VAL A 97 -6.428 -2.085 -6.331 1.00 0.00 C ATOM 1532 O VAL A 97 -7.251 -1.676 -7.156 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.523 -1.212 -4.255 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.134 -2.586 -3.991 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.318 -0.449 -2.949 1.00 0.00 C ATOM 0 H VAL A 97 -6.308 0.704 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.475 -1.888 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.223 -0.652 -4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.071 -2.469 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.325 -3.088 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.442 -3.184 -3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.267 -0.373 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.597 -0.979 -2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.943 0.551 -3.167 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.705 -3.180 -6.514 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.829 -3.989 -7.712 1.00 0.00 C ATOM 1547 C PHE A 98 -6.435 -5.342 -7.375 1.00 0.00 C ATOM 1548 O PHE A 98 -5.960 -6.046 -6.485 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.465 -4.189 -8.377 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.840 -2.916 -8.869 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.063 -2.140 -8.027 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -4.028 -2.497 -10.176 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.493 -0.964 -8.475 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.459 -1.323 -10.630 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.688 -0.559 -9.779 1.00 0.00 C ATOM 0 H PHE A 98 -5.022 -3.528 -5.841 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.484 -3.464 -8.407 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.790 -4.663 -7.665 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -4.577 -4.876 -9.216 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.900 -2.457 -7.008 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.626 -3.095 -10.848 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.896 -0.363 -7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.618 -1.004 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.237 0.356 -10.134 1.00 0.00 H new ATOM 1565 N THR A 99 -7.496 -5.682 -8.081 1.00 0.00 N ATOM 1566 CA THR A 99 -8.150 -6.973 -7.936 1.00 0.00 C ATOM 1567 C THR A 99 -8.701 -7.422 -9.281 1.00 0.00 C ATOM 1568 O THR A 99 -9.144 -6.592 -10.082 1.00 0.00 O ATOM 1569 CB THR A 99 -9.279 -6.925 -6.888 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.824 -5.604 -6.821 1.00 0.00 O ATOM 1571 CG2 THR A 99 -8.773 -7.341 -5.515 1.00 0.00 C ATOM 0 H THR A 99 -7.931 -5.072 -8.773 1.00 0.00 H new ATOM 0 HA THR A 99 -7.408 -7.691 -7.586 1.00 0.00 H new ATOM 0 HB THR A 99 -10.055 -7.627 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.542 -5.580 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.592 -7.297 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.386 -8.359 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.978 -6.665 -5.200 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.621 -8.726 -9.539 1.00 0.00 N ATOM 1580 CA ASP A 100 -9.074 -9.317 -10.800 1.00 0.00 C ATOM 1581 C ASP A 100 -8.201 -8.857 -11.963 1.00 0.00 C ATOM 1582 O ASP A 100 -8.536 -9.061 -13.128 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.539 -8.972 -11.087 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.512 -9.675 -10.160 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -11.808 -10.867 -10.394 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -12.000 -9.030 -9.209 1.00 0.00 O ATOM 0 H ASP A 100 -8.240 -9.405 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.987 -10.399 -10.697 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.676 -7.894 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.773 -9.238 -12.118 1.00 0.00 H new ATOM 1591 N GLY A 101 -7.070 -8.251 -11.640 1.00 0.00 N ATOM 1592 CA GLY A 101 -6.190 -7.726 -12.662 1.00 0.00 C ATOM 1593 C GLY A 101 -6.571 -6.322 -13.092 1.00 0.00 C ATOM 1594 O GLY A 101 -5.996 -5.779 -14.033 1.00 0.00 O ATOM 0 H GLY A 101 -6.744 -8.113 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.166 -7.723 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.211 -8.386 -13.529 1.00 0.00 H new ATOM 1598 N LYS A 102 -7.550 -5.730 -12.417 1.00 0.00 N ATOM 1599 CA LYS A 102 -7.965 -4.369 -12.739 1.00 0.00 C ATOM 1600 C LYS A 102 -7.814 -3.449 -11.531 1.00 0.00 C ATOM 1601 O LYS A 102 -7.886 -3.895 -10.382 1.00 0.00 O ATOM 1602 CB LYS A 102 -9.419 -4.333 -13.225 1.00 0.00 C ATOM 1603 CG LYS A 102 -9.691 -5.198 -14.447 1.00 0.00 C ATOM 1604 CD LYS A 102 -10.226 -6.565 -14.052 1.00 0.00 C ATOM 1605 CE LYS A 102 -10.306 -7.507 -15.244 1.00 0.00 C ATOM 1606 NZ LYS A 102 -8.959 -7.879 -15.752 1.00 0.00 N ATOM 0 H LYS A 102 -8.066 -6.165 -11.652 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.315 -4.016 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.070 -4.657 -12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.687 -3.302 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.410 -4.698 -15.096 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -8.773 -5.317 -15.022 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -9.582 -7.000 -13.288 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.216 -6.454 -13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.847 -8.409 -14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.876 -7.033 -16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.053 -8.623 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.504 -7.044 -16.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.376 -8.230 -14.966 1.00 0.00 H new ATOM 1620 N LEU A 103 -7.602 -2.165 -11.802 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.538 -1.155 -10.754 1.00 0.00 C ATOM 1622 C LEU A 103 -8.950 -0.811 -10.295 1.00 0.00 C ATOM 1623 O LEU A 103 -9.744 -0.255 -11.053 1.00 0.00 O ATOM 1624 CB LEU A 103 -6.818 0.098 -11.265 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.687 1.241 -10.253 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -5.933 0.784 -9.016 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -5.992 2.433 -10.887 1.00 0.00 C ATOM 0 H LEU A 103 -7.471 -1.799 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.974 -1.549 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.819 -0.187 -11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.350 0.470 -12.141 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.689 1.543 -9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.853 1.612 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.470 -0.040 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.935 0.451 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.907 3.236 -10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.997 2.139 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.573 2.781 -11.741 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.260 -1.161 -9.058 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.612 -1.019 -8.540 1.00 0.00 C ATOM 1641 C ARG A 104 -10.785 0.268 -7.743 1.00 0.00 C ATOM 1642 O ARG A 104 -11.908 0.691 -7.481 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.965 -2.231 -7.683 1.00 0.00 C ATOM 1644 CG ARG A 104 -11.204 -3.489 -8.502 1.00 0.00 C ATOM 1645 CD ARG A 104 -12.609 -3.519 -9.090 1.00 0.00 C ATOM 1646 NE ARG A 104 -12.793 -4.598 -10.072 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.716 -5.910 -9.797 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -12.366 -6.341 -8.593 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -12.974 -6.801 -10.740 1.00 0.00 N ATOM 0 H ARG A 104 -8.592 -1.547 -8.391 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.293 -0.964 -9.389 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.158 -2.414 -6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.859 -2.009 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.471 -3.544 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.054 -4.367 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.333 -3.640 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.819 -2.561 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.994 -4.329 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.149 -5.671 -7.855 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.314 -7.342 -8.405 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.232 -6.492 -11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.915 -7.797 -10.530 1.00 0.00 H new ATOM 1663 N GLY A 105 -9.681 0.884 -7.349 1.00 0.00 N ATOM 1664 CA GLY A 105 -9.772 2.139 -6.630 1.00 0.00 C ATOM 1665 C GLY A 105 -8.488 2.506 -5.924 1.00 0.00 C ATOM 1666 O GLY A 105 -7.462 1.851 -6.106 1.00 0.00 O ATOM 0 H GLY A 105 -8.733 0.543 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.037 2.933 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -10.578 2.075 -5.899 1.00 0.00 H new ATOM 1670 N ALA A 106 -8.549 3.559 -5.122 1.00 0.00 N ATOM 1671 CA ALA A 106 -7.391 4.035 -4.383 1.00 0.00 C ATOM 1672 C ALA A 106 -7.730 4.169 -2.906 1.00 0.00 C ATOM 1673 O ALA A 106 -8.839 4.570 -2.552 1.00 0.00 O ATOM 1674 CB ALA A 106 -6.905 5.369 -4.943 1.00 0.00 C ATOM 0 H ALA A 106 -9.397 4.104 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.587 3.307 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.038 5.707 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.628 5.245 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.702 6.109 -4.864 1.00 0.00 H new ATOM 1680 N LEU A 107 -6.775 3.831 -2.056 1.00 0.00 N ATOM 1681 CA LEU A 107 -6.982 3.859 -0.622 1.00 0.00 C ATOM 1682 C LEU A 107 -6.615 5.237 -0.075 1.00 0.00 C ATOM 1683 O LEU A 107 -5.439 5.539 0.148 1.00 0.00 O ATOM 1684 CB LEU A 107 -6.139 2.755 0.047 1.00 0.00 C ATOM 1685 CG LEU A 107 -6.566 2.319 1.462 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -6.258 3.389 2.499 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -8.045 1.965 1.486 1.00 0.00 C ATOM 0 H LEU A 107 -5.842 3.532 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.032 3.671 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.155 1.877 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.105 3.098 0.094 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.986 1.433 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.574 3.043 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.186 3.587 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.793 4.305 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.330 1.659 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.632 2.835 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.235 1.147 0.791 1.00 0.00 H new ATOM 1699 N SER A 108 -7.618 6.085 0.089 1.00 0.00 N ATOM 1700 CA SER A 108 -7.420 7.380 0.714 1.00 0.00 C ATOM 1701 C SER A 108 -7.416 7.215 2.231 1.00 0.00 C ATOM 1702 O SER A 108 -8.455 7.315 2.888 1.00 0.00 O ATOM 1703 CB SER A 108 -8.510 8.365 0.278 1.00 0.00 C ATOM 1704 OG SER A 108 -8.474 8.575 -1.128 1.00 0.00 O ATOM 0 H SER A 108 -8.577 5.898 -0.203 1.00 0.00 H new ATOM 0 HA SER A 108 -6.460 7.786 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.488 7.982 0.567 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.375 9.315 0.795 1.00 0.00 H new ATOM 0 HG SER A 108 -9.180 9.206 -1.383 1.00 0.00 H new ATOM 1710 N GLY A 109 -6.241 6.920 2.772 1.00 0.00 N ATOM 1711 CA GLY A 109 -6.119 6.657 4.190 1.00 0.00 C ATOM 1712 C GLY A 109 -6.104 7.918 5.020 1.00 0.00 C ATOM 1713 O GLY A 109 -5.077 8.584 5.130 1.00 0.00 O ATOM 0 H GLY A 109 -5.367 6.858 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.948 6.026 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.203 6.096 4.373 1.00 0.00 H new ATOM 1717 N ILE A 110 -7.254 8.254 5.591 1.00 0.00 N ATOM 1718 CA ILE A 110 -7.350 9.385 6.499 1.00 0.00 C ATOM 1719 C ILE A 110 -6.628 9.049 7.800 1.00 0.00 C ATOM 1720 O ILE A 110 -5.523 9.528 8.040 1.00 0.00 O ATOM 1721 CB ILE A 110 -8.823 9.760 6.798 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -9.582 10.032 5.494 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -8.896 10.976 7.717 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -9.023 11.185 4.684 1.00 0.00 C ATOM 0 H ILE A 110 -8.132 7.758 5.440 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.882 10.245 6.020 1.00 0.00 H new ATOM 0 HB ILE A 110 -9.292 8.917 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.567 9.130 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.626 10.239 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.940 11.221 7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -8.393 10.752 8.657 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -8.408 11.824 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.614 11.313 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.064 12.099 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.988 10.973 4.415 1.00 0.00 H new ATOM 1736 N HIS A 111 -7.262 8.207 8.617 1.00 0.00 N ATOM 1737 CA HIS A 111 -6.657 7.677 9.840 1.00 0.00 C ATOM 1738 C HIS A 111 -7.684 6.861 10.635 1.00 0.00 C ATOM 1739 O HIS A 111 -7.411 5.716 10.989 1.00 0.00 O ATOM 1740 CB HIS A 111 -6.061 8.783 10.726 1.00 0.00 C ATOM 1741 CG HIS A 111 -4.866 8.325 11.505 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -3.597 8.816 11.296 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.747 7.388 12.473 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -2.751 8.201 12.098 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -3.420 7.324 12.826 1.00 0.00 N ATOM 0 H HIS A 111 -8.211 7.873 8.449 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.836 7.028 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -5.778 9.630 10.101 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.825 9.139 11.418 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.548 6.798 12.892 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.688 8.383 12.151 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.019 6.705 13.530 1.00 0.00 H new ATOM 1754 N PRO A 112 -8.877 7.432 10.943 1.00 0.00 N ATOM 1755 CA PRO A 112 -9.945 6.692 11.626 1.00 0.00 C ATOM 1756 C PRO A 112 -10.469 5.535 10.780 1.00 0.00 C ATOM 1757 O PRO A 112 -10.518 5.621 9.550 1.00 0.00 O ATOM 1758 CB PRO A 112 -11.048 7.737 11.844 1.00 0.00 C ATOM 1759 CG PRO A 112 -10.371 9.053 11.688 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.276 8.830 10.688 1.00 0.00 C ATOM 0 HA PRO A 112 -9.592 6.241 12.553 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -11.852 7.619 11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -11.495 7.638 12.833 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.070 9.814 11.340 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -9.968 9.401 12.639 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.628 8.970 9.666 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.446 9.521 10.837 1.00 0.00 H new ATOM 1768 N TRP A 113 -10.865 4.461 11.446 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.334 3.266 10.768 1.00 0.00 C ATOM 1770 C TRP A 113 -12.862 3.282 10.675 1.00 0.00 C ATOM 1771 O TRP A 113 -13.456 4.330 10.416 1.00 0.00 O ATOM 1772 CB TRP A 113 -10.849 2.031 11.529 1.00 0.00 C ATOM 1773 CG TRP A 113 -10.508 0.871 10.641 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -11.340 -0.134 10.233 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -9.231 0.596 10.054 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -10.658 -1.015 9.429 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -9.363 -0.590 9.305 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -7.988 1.236 10.089 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -8.299 -1.146 8.597 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -6.933 0.683 9.385 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -7.094 -0.497 8.650 1.00 0.00 C ATOM 0 H TRP A 113 -10.870 4.395 12.464 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.933 3.237 9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -9.970 2.299 12.116 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.621 1.723 12.234 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.382 -0.223 10.503 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -11.052 -1.850 8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -7.854 2.146 10.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -8.420 -2.055 8.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -5.969 1.170 9.403 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.250 -0.905 8.113 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.482 2.114 10.876 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.939 1.953 10.835 1.00 0.00 C ATOM 1794 C ALA A 114 -15.491 2.119 9.421 1.00 0.00 C ATOM 1795 O ALA A 114 -15.905 1.146 8.795 1.00 0.00 O ATOM 1796 CB ALA A 114 -15.629 2.910 11.802 1.00 0.00 C ATOM 0 H ALA A 114 -12.982 1.247 11.073 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.156 0.933 11.153 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -16.708 2.766 11.748 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.287 2.711 12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -15.386 3.938 11.532 1.00 0.00 H new ATOM 1802 N GLU A 115 -15.473 3.346 8.915 1.00 0.00 N ATOM 1803 CA GLU A 115 -16.021 3.646 7.598 1.00 0.00 C ATOM 1804 C GLU A 115 -15.211 2.962 6.503 1.00 0.00 C ATOM 1805 O GLU A 115 -15.729 2.666 5.427 1.00 0.00 O ATOM 1806 CB GLU A 115 -16.055 5.156 7.364 1.00 0.00 C ATOM 1807 CG GLU A 115 -16.912 5.907 8.371 1.00 0.00 C ATOM 1808 CD GLU A 115 -18.362 5.457 8.356 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -19.144 5.977 7.531 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -18.730 4.589 9.174 1.00 0.00 O ATOM 0 H GLU A 115 -15.082 4.154 9.400 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.040 3.262 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.037 5.545 7.403 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -16.432 5.352 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -16.501 5.763 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -16.865 6.975 8.158 1.00 0.00 H new ATOM 1817 N LEU A 116 -13.938 2.706 6.789 1.00 0.00 N ATOM 1818 CA LEU A 116 -13.077 1.974 5.864 1.00 0.00 C ATOM 1819 C LEU A 116 -13.674 0.617 5.522 1.00 0.00 C ATOM 1820 O LEU A 116 -13.592 0.169 4.381 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.674 1.794 6.452 1.00 0.00 C ATOM 1822 CG LEU A 116 -10.641 2.823 5.992 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -9.348 2.664 6.775 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -10.381 2.675 4.498 1.00 0.00 C ATOM 0 H LEU A 116 -13.479 2.994 7.653 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.001 2.561 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.745 1.834 7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.313 0.799 6.192 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.036 3.822 6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.623 3.404 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.545 2.810 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.947 1.663 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.644 3.413 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -10.003 1.674 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.310 2.832 3.950 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.298 -0.017 6.506 1.00 0.00 N ATOM 1837 CA LEU A 117 -14.912 -1.320 6.303 1.00 0.00 C ATOM 1838 C LEU A 117 -16.063 -1.191 5.312 1.00 0.00 C ATOM 1839 O LEU A 117 -16.182 -1.984 4.382 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.398 -1.888 7.649 1.00 0.00 C ATOM 1841 CG LEU A 117 -15.694 -3.397 7.692 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.003 -3.733 6.990 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -14.545 -4.181 7.077 1.00 0.00 C ATOM 0 H LEU A 117 -14.392 0.351 7.453 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.178 -2.012 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.644 -1.667 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.304 -1.355 7.937 1.00 0.00 H new ATOM 0 HG LEU A 117 -15.797 -3.684 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -17.178 -4.808 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -17.823 -3.208 7.479 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -16.946 -3.424 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -14.770 -5.247 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.410 -3.876 6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -13.630 -3.983 7.635 1.00 0.00 H new ATOM 1855 N THR A 118 -16.881 -0.162 5.498 1.00 0.00 N ATOM 1856 CA THR A 118 -18.037 0.072 4.646 1.00 0.00 C ATOM 1857 C THR A 118 -17.620 0.330 3.196 1.00 0.00 C ATOM 1858 O THR A 118 -18.131 -0.305 2.271 1.00 0.00 O ATOM 1859 CB THR A 118 -18.853 1.273 5.162 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.954 1.209 6.592 1.00 0.00 O ATOM 1861 CG2 THR A 118 -20.248 1.283 4.556 1.00 0.00 C ATOM 0 H THR A 118 -16.762 0.529 6.239 1.00 0.00 H new ATOM 0 HA THR A 118 -18.651 -0.828 4.677 1.00 0.00 H new ATOM 0 HB THR A 118 -18.340 2.188 4.867 1.00 0.00 H new ATOM 0 HG1 THR A 118 -19.472 1.975 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 118 -20.804 2.140 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 118 -20.173 1.352 3.471 1.00 0.00 H new ATOM 0 HG23 THR A 118 -20.769 0.364 4.826 1.00 0.00 H new ATOM 1869 N LEU A 119 -16.689 1.260 3.007 1.00 0.00 N ATOM 1870 CA LEU A 119 -16.220 1.627 1.678 1.00 0.00 C ATOM 1871 C LEU A 119 -15.520 0.465 0.987 1.00 0.00 C ATOM 1872 O LEU A 119 -15.831 0.133 -0.158 1.00 0.00 O ATOM 1873 CB LEU A 119 -15.260 2.813 1.779 1.00 0.00 C ATOM 1874 CG LEU A 119 -15.901 4.200 1.865 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -16.555 4.574 0.543 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -16.914 4.283 2.998 1.00 0.00 C ATOM 0 H LEU A 119 -16.242 1.776 3.765 1.00 0.00 H new ATOM 0 HA LEU A 119 -17.091 1.900 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -14.633 2.671 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -14.601 2.794 0.911 1.00 0.00 H new ATOM 0 HG LEU A 119 -15.105 4.913 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -17.004 5.564 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -15.803 4.583 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -17.327 3.844 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -17.347 5.283 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -17.704 3.550 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -16.417 4.076 3.946 1.00 0.00 H new ATOM 1888 N MET A 120 -14.582 -0.157 1.687 1.00 0.00 N ATOM 1889 CA MET A 120 -13.819 -1.266 1.118 1.00 0.00 C ATOM 1890 C MET A 120 -14.715 -2.462 0.825 1.00 0.00 C ATOM 1891 O MET A 120 -14.450 -3.222 -0.102 1.00 0.00 O ATOM 1892 CB MET A 120 -12.673 -1.682 2.043 1.00 0.00 C ATOM 1893 CG MET A 120 -11.527 -0.676 2.124 1.00 0.00 C ATOM 1894 SD MET A 120 -10.638 -0.463 0.565 1.00 0.00 S ATOM 1895 CE MET A 120 -11.712 0.666 -0.324 1.00 0.00 C ATOM 0 H MET A 120 -14.330 0.084 2.646 1.00 0.00 H new ATOM 0 HA MET A 120 -13.394 -0.916 0.177 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.071 -1.841 3.045 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.277 -2.638 1.702 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.923 0.289 2.441 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.824 -1.000 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 120 -12.241 0.124 -1.108 1.00 0.00 H new ATOM 0 HE2 MET A 120 -12.434 1.101 0.367 1.00 0.00 H new ATOM 0 HE3 MET A 120 -11.114 1.460 -0.772 1.00 0.00 H new ATOM 1905 N ARG A 121 -15.784 -2.610 1.603 1.00 0.00 N ATOM 1906 CA ARG A 121 -16.739 -3.700 1.416 1.00 0.00 C ATOM 1907 C ARG A 121 -17.291 -3.715 -0.008 1.00 0.00 C ATOM 1908 O ARG A 121 -17.554 -4.775 -0.574 1.00 0.00 O ATOM 1909 CB ARG A 121 -17.888 -3.563 2.419 1.00 0.00 C ATOM 1910 CG ARG A 121 -18.981 -4.603 2.252 1.00 0.00 C ATOM 1911 CD ARG A 121 -20.071 -4.443 3.296 1.00 0.00 C ATOM 1912 NE ARG A 121 -21.233 -5.269 2.981 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.740 -6.193 3.792 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.204 -6.404 4.987 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -22.796 -6.900 3.411 1.00 0.00 N ATOM 0 H ARG A 121 -16.012 -1.984 2.375 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.217 -4.641 1.586 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -17.485 -3.634 3.429 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.327 -2.570 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -19.416 -4.518 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.549 -5.601 2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.682 -4.718 4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -20.371 -3.397 3.354 1.00 0.00 H new ATOM 0 HE ARG A 121 -21.686 -5.128 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.398 -5.856 5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.598 -7.114 5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.218 -6.735 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.186 -7.609 4.032 1.00 0.00 H new ATOM 1929 N SER A 122 -17.454 -2.533 -0.584 1.00 0.00 N ATOM 1930 CA SER A 122 -17.958 -2.394 -1.923 1.00 0.00 C ATOM 1931 C SER A 122 -16.929 -2.852 -2.958 1.00 0.00 C ATOM 1932 O SER A 122 -17.287 -3.333 -4.029 1.00 0.00 O ATOM 1933 CB SER A 122 -18.311 -0.934 -2.138 1.00 0.00 C ATOM 1934 OG SER A 122 -19.086 -0.438 -1.055 1.00 0.00 O ATOM 0 H SER A 122 -17.237 -1.647 -0.127 1.00 0.00 H new ATOM 0 HA SER A 122 -18.838 -3.024 -2.049 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.399 -0.346 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.866 -0.823 -3.069 1.00 0.00 H new ATOM 0 HG SER A 122 -19.302 0.505 -1.212 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.655 -2.698 -2.626 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.577 -2.997 -3.561 1.00 0.00 C ATOM 1942 C ILE A 123 -14.103 -4.447 -3.431 1.00 0.00 C ATOM 1943 O ILE A 123 -13.980 -5.167 -4.426 1.00 0.00 O ATOM 1944 CB ILE A 123 -13.381 -2.045 -3.332 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.811 -0.584 -3.511 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -12.230 -2.378 -4.271 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -14.351 -0.268 -4.891 1.00 0.00 C ATOM 0 H ILE A 123 -15.341 -2.367 -1.714 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.972 -2.852 -4.566 1.00 0.00 H new ATOM 0 HB ILE A 123 -13.035 -2.182 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -14.574 -0.347 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -12.958 0.063 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -11.402 -1.693 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -11.900 -3.402 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.563 -2.278 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -14.634 0.784 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -13.583 -0.472 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -15.225 -0.888 -5.090 1.00 0.00 H new ATOM 1959 N VAL A 124 -13.843 -4.868 -2.203 1.00 0.00 N ATOM 1960 CA VAL A 124 -13.337 -6.204 -1.946 1.00 0.00 C ATOM 1961 C VAL A 124 -14.376 -7.044 -1.219 1.00 0.00 C ATOM 1962 O VAL A 124 -14.243 -7.360 -0.037 1.00 0.00 O ATOM 1963 CB VAL A 124 -11.998 -6.195 -1.162 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -10.858 -5.767 -2.075 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.071 -5.284 0.064 1.00 0.00 C ATOM 0 H VAL A 124 -13.975 -4.300 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 124 -13.134 -6.655 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 124 -11.810 -7.209 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -9.924 -5.764 -1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -10.778 -6.464 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.054 -4.765 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.116 -5.303 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.291 -4.265 -0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.858 -5.635 0.731 1.00 0.00 H new ATOM 1975 N ASP A 125 -15.441 -7.354 -1.940 1.00 0.00 N ATOM 1976 CA ASP A 125 -16.491 -8.233 -1.444 1.00 0.00 C ATOM 1977 C ASP A 125 -15.998 -9.672 -1.453 1.00 0.00 C ATOM 1978 O ASP A 125 -16.069 -10.370 -0.441 1.00 0.00 O ATOM 1979 CB ASP A 125 -17.751 -8.101 -2.312 1.00 0.00 C ATOM 1980 CG ASP A 125 -18.849 -9.062 -1.903 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -19.422 -8.881 -0.806 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -19.152 -9.998 -2.676 1.00 0.00 O ATOM 0 H ASP A 125 -15.603 -7.005 -2.884 1.00 0.00 H new ATOM 0 HA ASP A 125 -16.743 -7.946 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.126 -7.080 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -17.489 -8.279 -3.355 1.00 0.00 H new