USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 636 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 68 CYS SG : rot -124:sc= 1.05 USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0.188 USER MOD Set 2.1: A 49 SER OG : rot 30:sc= 0.824 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -5.03! C(o=-4.2!,f=-21!) USER MOD Set 3.1: A 21 GLN : amide:sc= -0.251 X(o=-3.3,f=-2.8) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.04 K(o=-3.3,f=-9.9!) USER MOD Set 4.1: A 13 TYR OH : rot 168:sc= -1.1 USER MOD Set 4.2: A 15 LYS NZ :NH3+ 177:sc= 0.902! (180deg=0.719!) USER MOD Single : A 14 SER OG : rot 178:sc= 0.115 USER MOD Single : A 16 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-0.17) USER MOD Single : A 17 MET CE :methyl 150:sc= -3.2! (180deg=-7.63!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= -0.0527 (180deg=-0.181) USER MOD Single : A 28 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.61) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 110:sc= 0.279 USER MOD Single : A 41 SER OG : rot 33:sc= 0.355 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -65:sc= 1.16 USER MOD Single : A 55 THR OG1 : rot -75:sc= -1.54! USER MOD Single : A 59 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -86:sc= -4! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.82! USER MOD Single : A 72 GLN : amide:sc= 0.0213 X(o=0.021,f=-0.26) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -5.93! C(o=-5.9!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-3.3!) USER MOD Single : A 84 SER OG : rot -25:sc= 0.924 USER MOD Single : A 85 THR OG1 : rot -58:sc= -0.294! USER MOD Single : A 106 TYR OH : rot -30:sc= 0.447 USER MOD ----------------------------------------------------------------- ATOM 150 N GLU A 11 -2.516 2.958 -11.792 1.00 0.00 N ATOM 151 CA GLU A 11 -3.407 3.763 -10.904 1.00 0.00 C ATOM 152 C GLU A 11 -2.961 3.572 -9.459 1.00 0.00 C ATOM 153 O GLU A 11 -2.830 4.513 -8.701 1.00 0.00 O ATOM 154 CB GLU A 11 -4.811 3.181 -11.093 1.00 0.00 C ATOM 155 CG GLU A 11 -5.864 4.254 -10.817 1.00 0.00 C ATOM 156 CD GLU A 11 -5.715 5.397 -11.824 1.00 0.00 C ATOM 157 OE1 GLU A 11 -5.348 5.121 -12.954 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.969 6.530 -11.447 1.00 0.00 O ATOM 0 HA GLU A 11 -3.379 4.827 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.923 2.803 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.957 2.336 -10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.863 3.823 -10.887 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.752 4.634 -9.802 1.00 0.00 H new ATOM 165 N TRP A 12 -2.719 2.349 -9.080 1.00 0.00 N ATOM 166 CA TRP A 12 -2.271 2.076 -7.690 1.00 0.00 C ATOM 167 C TRP A 12 -0.935 2.774 -7.418 1.00 0.00 C ATOM 168 O TRP A 12 -0.536 2.941 -6.285 1.00 0.00 O ATOM 169 CB TRP A 12 -2.108 0.555 -7.607 1.00 0.00 C ATOM 170 CG TRP A 12 -1.104 0.085 -8.614 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.400 -0.352 -9.861 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.343 -0.013 -8.481 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.226 -0.706 -10.501 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.875 -0.516 -9.691 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.237 0.284 -7.436 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.245 -0.718 -9.860 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.617 0.082 -7.603 1.00 0.00 C ATOM 178 CH2 TRP A 12 3.120 -0.418 -8.813 1.00 0.00 C ATOM 0 H TRP A 12 -2.813 1.526 -9.675 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.982 2.447 -6.951 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.788 0.271 -6.604 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.067 0.069 -7.785 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.391 -0.414 -10.286 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.180 -1.064 -11.455 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.860 0.669 -6.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.627 -1.104 -10.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.295 0.313 -6.795 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.182 -0.571 -8.935 1.00 0.00 H new ATOM 189 N TYR A 13 -0.238 3.177 -8.449 1.00 0.00 N ATOM 190 CA TYR A 13 1.075 3.851 -8.244 1.00 0.00 C ATOM 191 C TYR A 13 0.879 5.345 -7.960 1.00 0.00 C ATOM 192 O TYR A 13 0.103 6.015 -8.613 1.00 0.00 O ATOM 193 CB TYR A 13 1.830 3.649 -9.559 1.00 0.00 C ATOM 194 CG TYR A 13 3.286 3.983 -9.347 1.00 0.00 C ATOM 195 CD1 TYR A 13 4.096 3.126 -8.595 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.824 5.152 -9.897 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.446 3.435 -8.392 1.00 0.00 C ATOM 198 CE2 TYR A 13 5.174 5.462 -9.695 1.00 0.00 C ATOM 199 CZ TYR A 13 5.985 4.603 -8.942 1.00 0.00 C ATOM 200 OH TYR A 13 7.316 4.907 -8.745 1.00 0.00 O ATOM 0 H TYR A 13 -0.523 3.068 -9.422 1.00 0.00 H new ATOM 0 HA TYR A 13 1.616 3.441 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.726 2.618 -9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.407 4.285 -10.337 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.679 2.225 -8.170 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.198 5.814 -10.477 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.071 2.773 -7.811 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.590 6.363 -10.120 1.00 0.00 H new ATOM 0 HH TYR A 13 7.577 5.638 -9.343 1.00 0.00 H new ATOM 210 N SER A 14 1.585 5.869 -6.990 1.00 0.00 N ATOM 211 CA SER A 14 1.452 7.318 -6.660 1.00 0.00 C ATOM 212 C SER A 14 2.783 7.865 -6.147 1.00 0.00 C ATOM 213 O SER A 14 3.406 7.288 -5.278 1.00 0.00 O ATOM 214 CB SER A 14 0.399 7.390 -5.557 1.00 0.00 C ATOM 215 OG SER A 14 -0.629 6.442 -5.820 1.00 0.00 O ATOM 0 H SER A 14 2.249 5.354 -6.412 1.00 0.00 H new ATOM 0 HA SER A 14 1.170 7.908 -7.532 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.857 7.187 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.022 8.394 -5.506 1.00 0.00 H new ATOM 0 HG SER A 14 -1.289 6.466 -5.096 1.00 0.00 H new ATOM 221 N LYS A 15 3.223 8.971 -6.675 1.00 0.00 N ATOM 222 CA LYS A 15 4.515 9.551 -6.215 1.00 0.00 C ATOM 223 C LYS A 15 4.291 10.481 -5.024 1.00 0.00 C ATOM 224 O LYS A 15 3.611 11.484 -5.120 1.00 0.00 O ATOM 225 CB LYS A 15 5.057 10.326 -7.419 1.00 0.00 C ATOM 226 CG LYS A 15 6.332 9.648 -7.933 1.00 0.00 C ATOM 227 CD LYS A 15 6.054 8.165 -8.209 1.00 0.00 C ATOM 228 CE LYS A 15 6.713 7.309 -7.121 1.00 0.00 C ATOM 229 NZ LYS A 15 5.643 6.392 -6.627 1.00 0.00 N ATOM 0 H LYS A 15 2.745 9.499 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 15 5.213 8.784 -5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.307 10.361 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.270 11.357 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.675 10.139 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.130 9.748 -7.197 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.979 7.983 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.442 7.888 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.556 6.747 -7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.099 7.931 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.041 5.745 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.879 6.951 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.263 5.841 -7.423 1.00 0.00 H new ATOM 243 N HIS A 16 4.867 10.145 -3.902 1.00 0.00 N ATOM 244 CA HIS A 16 4.717 10.989 -2.681 1.00 0.00 C ATOM 245 C HIS A 16 3.241 11.167 -2.318 1.00 0.00 C ATOM 246 O HIS A 16 2.814 12.241 -1.939 1.00 0.00 O ATOM 247 CB HIS A 16 5.357 12.332 -3.035 1.00 0.00 C ATOM 248 CG HIS A 16 6.831 12.140 -3.259 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.786 12.771 -2.476 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.531 11.392 -4.173 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.996 12.394 -2.930 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.897 11.553 -3.964 1.00 0.00 N ATOM 0 H HIS A 16 5.442 9.312 -3.777 1.00 0.00 H new ATOM 0 HA HIS A 16 5.192 10.531 -1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.893 12.744 -3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.191 13.050 -2.232 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.088 10.772 -4.939 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.932 12.730 -2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.659 11.122 -4.487 1.00 0.00 H new ATOM 260 N MET A 17 2.460 10.122 -2.415 1.00 0.00 N ATOM 261 CA MET A 17 1.018 10.239 -2.056 1.00 0.00 C ATOM 262 C MET A 17 0.872 10.168 -0.532 1.00 0.00 C ATOM 263 O MET A 17 1.716 9.627 0.154 1.00 0.00 O ATOM 264 CB MET A 17 0.339 9.045 -2.730 1.00 0.00 C ATOM 265 CG MET A 17 -1.137 8.992 -2.331 1.00 0.00 C ATOM 266 SD MET A 17 -1.878 7.467 -2.964 1.00 0.00 S ATOM 267 CE MET A 17 -1.041 6.324 -1.840 1.00 0.00 C ATOM 0 H MET A 17 2.758 9.197 -2.726 1.00 0.00 H new ATOM 0 HA MET A 17 0.573 11.179 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.429 9.128 -3.813 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.837 8.120 -2.439 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.233 9.033 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.664 9.858 -2.731 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.678 5.457 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.101 5.998 -2.286 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.839 6.827 -0.894 1.00 0.00 H new ATOM 277 N THR A 18 -0.179 10.727 0.003 1.00 0.00 N ATOM 278 CA THR A 18 -0.360 10.709 1.484 1.00 0.00 C ATOM 279 C THR A 18 -1.068 9.431 1.942 1.00 0.00 C ATOM 280 O THR A 18 -2.097 9.054 1.415 1.00 0.00 O ATOM 281 CB THR A 18 -1.223 11.934 1.791 1.00 0.00 C ATOM 282 OG1 THR A 18 -0.806 13.024 0.981 1.00 0.00 O ATOM 283 CG2 THR A 18 -1.075 12.307 3.266 1.00 0.00 C ATOM 0 H THR A 18 -0.919 11.195 -0.520 1.00 0.00 H new ATOM 0 HA THR A 18 0.597 10.732 2.005 1.00 0.00 H new ATOM 0 HB THR A 18 -2.267 11.704 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.360 13.808 1.177 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.690 13.180 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.398 11.471 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.031 12.536 3.480 1.00 0.00 H new ATOM 291 N ARG A 19 -0.524 8.772 2.935 1.00 0.00 N ATOM 292 CA ARG A 19 -1.155 7.521 3.464 1.00 0.00 C ATOM 293 C ARG A 19 -2.649 7.746 3.711 1.00 0.00 C ATOM 294 O ARG A 19 -3.476 6.882 3.483 1.00 0.00 O ATOM 295 CB ARG A 19 -0.442 7.268 4.798 1.00 0.00 C ATOM 296 CG ARG A 19 -0.828 8.362 5.811 1.00 0.00 C ATOM 297 CD ARG A 19 0.058 8.246 7.054 1.00 0.00 C ATOM 298 NE ARG A 19 -0.440 9.302 7.978 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.457 9.088 9.266 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.660 8.879 9.908 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.592 9.084 9.911 1.00 0.00 N ATOM 0 H ARG A 19 0.337 9.049 3.406 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.063 6.685 2.771 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.715 6.287 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.638 7.262 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.712 9.347 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.877 8.261 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.021 7.257 7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.108 8.400 6.807 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.768 10.193 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.547 8.883 9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.646 8.712 10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.465 9.248 9.409 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.606 8.917 10.917 1.00 0.00 H new ATOM 315 N SER A 20 -2.982 8.908 4.186 1.00 0.00 N ATOM 316 CA SER A 20 -4.400 9.230 4.477 1.00 0.00 C ATOM 317 C SER A 20 -5.166 9.399 3.166 1.00 0.00 C ATOM 318 O SER A 20 -6.306 8.993 3.048 1.00 0.00 O ATOM 319 CB SER A 20 -4.322 10.529 5.281 1.00 0.00 C ATOM 320 OG SER A 20 -5.210 11.496 4.732 1.00 0.00 O ATOM 0 H SER A 20 -2.322 9.659 4.388 1.00 0.00 H new ATOM 0 HA SER A 20 -4.929 8.454 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.579 10.337 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.302 10.912 5.270 1.00 0.00 H new ATOM 0 HG SER A 20 -5.155 12.324 5.254 1.00 0.00 H new ATOM 326 N GLN A 21 -4.539 9.967 2.170 1.00 0.00 N ATOM 327 CA GLN A 21 -5.227 10.125 0.862 1.00 0.00 C ATOM 328 C GLN A 21 -5.528 8.739 0.297 1.00 0.00 C ATOM 329 O GLN A 21 -6.526 8.526 -0.363 1.00 0.00 O ATOM 330 CB GLN A 21 -4.241 10.877 -0.031 1.00 0.00 C ATOM 331 CG GLN A 21 -4.282 12.365 0.313 1.00 0.00 C ATOM 332 CD GLN A 21 -5.344 13.058 -0.540 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.073 13.477 -1.648 1.00 0.00 O ATOM 334 NE2 GLN A 21 -6.554 13.197 -0.069 1.00 0.00 N ATOM 0 H GLN A 21 -3.585 10.326 2.208 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.170 10.666 0.939 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.233 10.487 0.111 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.496 10.727 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.507 12.498 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.306 12.817 0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.783 12.846 0.861 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.270 13.657 -0.631 1.00 0.00 H new ATOM 343 N ALA A 22 -4.677 7.789 0.577 1.00 0.00 N ATOM 344 CA ALA A 22 -4.919 6.410 0.087 1.00 0.00 C ATOM 345 C ALA A 22 -6.085 5.810 0.866 1.00 0.00 C ATOM 346 O ALA A 22 -6.970 5.206 0.302 1.00 0.00 O ATOM 347 CB ALA A 22 -3.625 5.641 0.357 1.00 0.00 C ATOM 0 H ALA A 22 -3.825 7.913 1.125 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.174 6.375 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.736 4.611 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.802 6.113 -0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.413 5.650 1.426 1.00 0.00 H new ATOM 353 N GLU A 23 -6.096 5.991 2.160 1.00 0.00 N ATOM 354 CA GLU A 23 -7.218 5.448 2.979 1.00 0.00 C ATOM 355 C GLU A 23 -8.543 6.054 2.515 1.00 0.00 C ATOM 356 O GLU A 23 -9.501 5.347 2.265 1.00 0.00 O ATOM 357 CB GLU A 23 -6.917 5.876 4.419 1.00 0.00 C ATOM 358 CG GLU A 23 -5.685 5.131 4.937 1.00 0.00 C ATOM 359 CD GLU A 23 -5.972 4.570 6.332 1.00 0.00 C ATOM 360 OE1 GLU A 23 -6.680 5.226 7.078 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.478 3.496 6.629 1.00 0.00 O ATOM 0 H GLU A 23 -5.378 6.491 2.684 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.304 4.365 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.746 6.952 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.775 5.665 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.424 4.322 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.829 5.805 4.974 1.00 0.00 H new ATOM 368 N GLN A 24 -8.613 7.356 2.402 1.00 0.00 N ATOM 369 CA GLN A 24 -9.886 7.985 1.959 1.00 0.00 C ATOM 370 C GLN A 24 -10.193 7.606 0.509 1.00 0.00 C ATOM 371 O GLN A 24 -11.294 7.195 0.204 1.00 0.00 O ATOM 372 CB GLN A 24 -9.706 9.501 2.120 1.00 0.00 C ATOM 373 CG GLN A 24 -8.439 9.977 1.406 1.00 0.00 C ATOM 374 CD GLN A 24 -8.820 10.727 0.128 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.756 10.180 -0.954 1.00 0.00 O ATOM 376 NE2 GLN A 24 -9.220 11.967 0.209 1.00 0.00 N ATOM 0 H GLN A 24 -7.849 8.003 2.596 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.730 7.639 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.574 10.020 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.649 9.755 3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.862 10.628 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.804 9.125 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.274 12.427 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.479 12.476 -0.636 1.00 0.00 H new ATOM 385 N LEU A 25 -9.245 7.708 -0.393 1.00 0.00 N ATOM 386 CA LEU A 25 -9.555 7.312 -1.792 1.00 0.00 C ATOM 387 C LEU A 25 -9.841 5.810 -1.820 1.00 0.00 C ATOM 388 O LEU A 25 -10.628 5.337 -2.614 1.00 0.00 O ATOM 389 CB LEU A 25 -8.338 7.705 -2.650 1.00 0.00 C ATOM 390 CG LEU A 25 -7.231 6.647 -2.568 1.00 0.00 C ATOM 391 CD1 LEU A 25 -7.532 5.511 -3.550 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.895 7.291 -2.944 1.00 0.00 C ATOM 0 H LEU A 25 -8.296 8.040 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.438 7.813 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.648 7.830 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.950 8.667 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.182 6.249 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.744 4.760 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.489 5.054 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.578 5.909 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.103 6.545 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.953 7.683 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.676 8.105 -2.253 1.00 0.00 H new ATOM 404 N LEU A 26 -9.242 5.063 -0.926 1.00 0.00 N ATOM 405 CA LEU A 26 -9.527 3.602 -0.878 1.00 0.00 C ATOM 406 C LEU A 26 -10.970 3.424 -0.410 1.00 0.00 C ATOM 407 O LEU A 26 -11.818 2.961 -1.146 1.00 0.00 O ATOM 408 CB LEU A 26 -8.556 3.018 0.147 1.00 0.00 C ATOM 409 CG LEU A 26 -7.311 2.476 -0.568 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.262 2.053 0.466 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.700 1.264 -1.422 1.00 0.00 C ATOM 0 H LEU A 26 -8.574 5.401 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.407 3.110 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.269 3.784 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.041 2.219 0.708 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.895 3.256 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.380 1.669 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.982 2.914 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.676 1.275 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.816 0.878 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.118 0.487 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.442 1.563 -2.162 1.00 0.00 H new ATOM 423 N LYS A 27 -11.257 3.816 0.809 1.00 0.00 N ATOM 424 CA LYS A 27 -12.654 3.704 1.327 1.00 0.00 C ATOM 425 C LYS A 27 -13.639 4.297 0.313 1.00 0.00 C ATOM 426 O LYS A 27 -14.695 3.752 0.064 1.00 0.00 O ATOM 427 CB LYS A 27 -12.660 4.529 2.613 1.00 0.00 C ATOM 428 CG LYS A 27 -13.513 3.825 3.669 1.00 0.00 C ATOM 429 CD LYS A 27 -14.989 4.145 3.428 1.00 0.00 C ATOM 430 CE LYS A 27 -15.852 2.992 3.947 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.805 3.114 5.431 1.00 0.00 N ATOM 0 H LYS A 27 -10.583 4.208 1.466 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.952 2.670 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.642 4.657 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.056 5.525 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.351 2.748 3.624 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.217 4.150 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -15.259 5.072 3.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.170 4.299 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.875 3.067 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.463 2.028 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.213 2.260 5.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.817 3.220 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.352 3.947 5.728 1.00 0.00 H new ATOM 445 N GLN A 28 -13.294 5.417 -0.269 1.00 0.00 N ATOM 446 CA GLN A 28 -14.205 6.055 -1.267 1.00 0.00 C ATOM 447 C GLN A 28 -14.315 5.194 -2.536 1.00 0.00 C ATOM 448 O GLN A 28 -15.389 5.025 -3.080 1.00 0.00 O ATOM 449 CB GLN A 28 -13.572 7.409 -1.584 1.00 0.00 C ATOM 450 CG GLN A 28 -14.635 8.347 -2.161 1.00 0.00 C ATOM 451 CD GLN A 28 -15.639 8.717 -1.067 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.255 9.057 0.035 1.00 0.00 O ATOM 453 NE2 GLN A 28 -16.917 8.666 -1.326 1.00 0.00 N ATOM 0 H GLN A 28 -12.422 5.917 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.218 6.162 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.142 7.842 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.757 7.283 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.165 9.247 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.149 7.864 -2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.239 8.381 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.594 8.912 -0.604 1.00 0.00 H new ATOM 462 N GLU A 29 -13.225 4.633 -3.005 1.00 0.00 N ATOM 463 CA GLU A 29 -13.299 3.773 -4.229 1.00 0.00 C ATOM 464 C GLU A 29 -14.305 2.652 -3.964 1.00 0.00 C ATOM 465 O GLU A 29 -15.075 2.271 -4.824 1.00 0.00 O ATOM 466 CB GLU A 29 -11.881 3.227 -4.451 1.00 0.00 C ATOM 467 CG GLU A 29 -11.671 2.908 -5.935 1.00 0.00 C ATOM 468 CD GLU A 29 -11.581 4.211 -6.730 1.00 0.00 C ATOM 469 OE1 GLU A 29 -11.143 5.199 -6.164 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.948 4.199 -7.893 1.00 0.00 O ATOM 0 H GLU A 29 -12.295 4.732 -2.597 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.629 4.313 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.144 3.959 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.730 2.329 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.759 2.326 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.495 2.299 -6.307 1.00 0.00 H new ATOM 477 N GLY A 30 -14.329 2.156 -2.754 1.00 0.00 N ATOM 478 CA GLY A 30 -15.309 1.101 -2.391 1.00 0.00 C ATOM 479 C GLY A 30 -14.890 -0.266 -2.940 1.00 0.00 C ATOM 480 O GLY A 30 -15.683 -1.186 -2.996 1.00 0.00 O ATOM 0 H GLY A 30 -13.705 2.442 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.401 1.046 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.292 1.366 -2.781 1.00 0.00 H new ATOM 484 N LYS A 31 -13.658 -0.414 -3.338 1.00 0.00 N ATOM 485 CA LYS A 31 -13.202 -1.732 -3.873 1.00 0.00 C ATOM 486 C LYS A 31 -12.631 -2.590 -2.742 1.00 0.00 C ATOM 487 O LYS A 31 -11.628 -2.249 -2.146 1.00 0.00 O ATOM 488 CB LYS A 31 -12.107 -1.386 -4.883 1.00 0.00 C ATOM 489 CG LYS A 31 -12.623 -0.324 -5.868 1.00 0.00 C ATOM 490 CD LYS A 31 -13.989 -0.737 -6.433 1.00 0.00 C ATOM 491 CE LYS A 31 -13.870 -2.078 -7.163 1.00 0.00 C ATOM 492 NZ LYS A 31 -15.268 -2.576 -7.285 1.00 0.00 N ATOM 0 H LYS A 31 -12.947 0.317 -3.317 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.015 -2.300 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.224 -1.014 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.804 -2.281 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.707 0.639 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.909 -0.196 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.717 -0.816 -5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.355 0.028 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.408 -1.954 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.249 -2.778 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.268 -3.493 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.680 -2.691 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.834 -1.893 -7.828 1.00 0.00 H new ATOM 506 N GLU A 32 -13.253 -3.700 -2.436 1.00 0.00 N ATOM 507 CA GLU A 32 -12.718 -4.555 -1.334 1.00 0.00 C ATOM 508 C GLU A 32 -11.355 -5.118 -1.718 1.00 0.00 C ATOM 509 O GLU A 32 -11.251 -6.099 -2.429 1.00 0.00 O ATOM 510 CB GLU A 32 -13.714 -5.692 -1.110 1.00 0.00 C ATOM 511 CG GLU A 32 -14.109 -6.329 -2.448 1.00 0.00 C ATOM 512 CD GLU A 32 -15.554 -5.957 -2.787 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.848 -4.774 -2.821 1.00 0.00 O ATOM 514 OE2 GLU A 32 -16.342 -6.863 -3.005 1.00 0.00 O ATOM 0 H GLU A 32 -14.096 -4.048 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.593 -3.970 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.274 -6.446 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.602 -5.312 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.440 -5.986 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.006 -7.413 -2.391 1.00 0.00 H new ATOM 521 N GLY A 33 -10.313 -4.504 -1.244 1.00 0.00 N ATOM 522 CA GLY A 33 -8.951 -4.986 -1.559 1.00 0.00 C ATOM 523 C GLY A 33 -8.223 -3.961 -2.429 1.00 0.00 C ATOM 524 O GLY A 33 -7.240 -4.278 -3.067 1.00 0.00 O ATOM 0 H GLY A 33 -10.350 -3.679 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.394 -5.155 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.006 -5.943 -2.078 1.00 0.00 H new ATOM 528 N GLY A 34 -8.683 -2.729 -2.460 1.00 0.00 N ATOM 529 CA GLY A 34 -7.998 -1.695 -3.293 1.00 0.00 C ATOM 530 C GLY A 34 -6.496 -1.770 -3.044 1.00 0.00 C ATOM 531 O GLY A 34 -6.061 -2.191 -1.992 1.00 0.00 O ATOM 0 H GLY A 34 -9.500 -2.400 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.213 -1.860 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.372 -0.702 -3.043 1.00 0.00 H new ATOM 535 N PHE A 35 -5.705 -1.397 -4.009 1.00 0.00 N ATOM 536 CA PHE A 35 -4.231 -1.483 -3.828 1.00 0.00 C ATOM 537 C PHE A 35 -3.530 -0.229 -4.364 1.00 0.00 C ATOM 538 O PHE A 35 -3.695 0.141 -5.508 1.00 0.00 O ATOM 539 CB PHE A 35 -3.837 -2.714 -4.644 1.00 0.00 C ATOM 540 CG PHE A 35 -2.361 -2.983 -4.489 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.435 -2.210 -5.195 1.00 0.00 C ATOM 542 CD2 PHE A 35 -1.921 -4.011 -3.648 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.065 -2.464 -5.061 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.552 -4.266 -3.512 1.00 0.00 C ATOM 545 CZ PHE A 35 0.376 -3.492 -4.219 1.00 0.00 C ATOM 0 H PHE A 35 -6.014 -1.038 -4.912 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.943 -1.556 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.410 -3.580 -4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.078 -2.556 -5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.776 -1.417 -5.844 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.638 -4.608 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.651 -1.868 -5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.212 -5.059 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.433 -3.688 -4.115 1.00 0.00 H new ATOM 555 N ILE A 36 -2.734 0.415 -3.546 1.00 0.00 N ATOM 556 CA ILE A 36 -1.997 1.633 -4.005 1.00 0.00 C ATOM 557 C ILE A 36 -0.552 1.566 -3.505 1.00 0.00 C ATOM 558 O ILE A 36 -0.236 0.807 -2.612 1.00 0.00 O ATOM 559 CB ILE A 36 -2.714 2.825 -3.367 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.218 2.750 -3.648 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.150 4.121 -3.957 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.913 3.972 -3.041 1.00 0.00 C ATOM 0 H ILE A 36 -2.563 0.148 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.979 1.715 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.555 2.805 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.396 2.713 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.633 1.835 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.656 4.976 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.082 4.181 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.311 4.130 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.983 3.919 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.745 3.988 -1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.506 4.880 -3.485 1.00 0.00 H new ATOM 574 N VAL A 37 0.332 2.350 -4.068 1.00 0.00 N ATOM 575 CA VAL A 37 1.753 2.318 -3.607 1.00 0.00 C ATOM 576 C VAL A 37 2.427 3.676 -3.833 1.00 0.00 C ATOM 577 O VAL A 37 2.063 4.420 -4.723 1.00 0.00 O ATOM 578 CB VAL A 37 2.442 1.246 -4.457 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.910 1.133 -4.034 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.755 -0.107 -4.253 1.00 0.00 C ATOM 0 H VAL A 37 0.133 3.007 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 37 1.818 2.099 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 37 2.377 1.527 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.405 0.371 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.406 2.092 -4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.965 0.856 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.252 -0.863 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.814 -0.390 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.709 -0.032 -4.550 1.00 0.00 H new ATOM 590 N ARG A 38 3.421 3.992 -3.043 1.00 0.00 N ATOM 591 CA ARG A 38 4.136 5.292 -3.223 1.00 0.00 C ATOM 592 C ARG A 38 5.537 5.219 -2.604 1.00 0.00 C ATOM 593 O ARG A 38 5.809 4.392 -1.755 1.00 0.00 O ATOM 594 CB ARG A 38 3.275 6.342 -2.511 1.00 0.00 C ATOM 595 CG ARG A 38 3.197 6.034 -1.010 1.00 0.00 C ATOM 596 CD ARG A 38 3.880 7.154 -0.221 1.00 0.00 C ATOM 597 NE ARG A 38 4.303 6.522 1.060 1.00 0.00 N ATOM 598 CZ ARG A 38 4.452 7.253 2.130 1.00 0.00 C ATOM 599 NH1 ARG A 38 5.226 8.305 2.099 1.00 0.00 N ATOM 600 NH2 ARG A 38 3.829 6.935 3.232 1.00 0.00 N ATOM 0 H ARG A 38 3.768 3.408 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 38 4.271 5.540 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.698 7.335 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.273 6.353 -2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.156 5.940 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.679 5.080 -0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.736 7.554 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.197 7.985 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 38 4.476 5.518 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.713 8.554 1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.343 8.877 2.935 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.225 6.114 3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.947 7.508 4.068 1.00 0.00 H new ATOM 614 N ASP A 39 6.429 6.071 -3.034 1.00 0.00 N ATOM 615 CA ASP A 39 7.821 6.051 -2.486 1.00 0.00 C ATOM 616 C ASP A 39 7.834 6.437 -1.002 1.00 0.00 C ATOM 617 O ASP A 39 6.836 6.851 -0.447 1.00 0.00 O ATOM 618 CB ASP A 39 8.588 7.084 -3.311 1.00 0.00 C ATOM 619 CG ASP A 39 10.080 6.743 -3.296 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.733 7.074 -2.320 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.543 6.154 -4.258 1.00 0.00 O ATOM 0 H ASP A 39 6.255 6.783 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 39 8.265 5.057 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.217 7.095 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.428 8.082 -2.903 1.00 0.00 H new ATOM 626 N SER A 40 8.967 6.301 -0.361 1.00 0.00 N ATOM 627 CA SER A 40 9.065 6.656 1.087 1.00 0.00 C ATOM 628 C SER A 40 10.069 7.803 1.278 1.00 0.00 C ATOM 629 O SER A 40 10.131 8.718 0.480 1.00 0.00 O ATOM 630 CB SER A 40 9.554 5.380 1.771 1.00 0.00 C ATOM 631 OG SER A 40 9.474 5.543 3.181 1.00 0.00 O ATOM 0 H SER A 40 9.831 5.958 -0.780 1.00 0.00 H new ATOM 0 HA SER A 40 8.116 6.997 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.948 4.530 1.457 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.581 5.166 1.476 1.00 0.00 H new ATOM 0 HG SER A 40 8.759 4.975 3.536 1.00 0.00 H new ATOM 637 N SER A 41 10.857 7.766 2.327 1.00 0.00 N ATOM 638 CA SER A 41 11.847 8.860 2.553 1.00 0.00 C ATOM 639 C SER A 41 13.058 8.332 3.328 1.00 0.00 C ATOM 640 O SER A 41 14.184 8.437 2.883 1.00 0.00 O ATOM 641 CB SER A 41 11.099 9.906 3.378 1.00 0.00 C ATOM 642 OG SER A 41 10.504 10.855 2.502 1.00 0.00 O ATOM 0 H SER A 41 10.856 7.028 3.031 1.00 0.00 H new ATOM 0 HA SER A 41 12.226 9.271 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.333 9.426 3.988 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.785 10.405 4.062 1.00 0.00 H new ATOM 0 HG SER A 41 10.235 10.410 1.672 1.00 0.00 H new ATOM 648 N LYS A 42 12.836 7.767 4.485 1.00 0.00 N ATOM 649 CA LYS A 42 13.975 7.233 5.293 1.00 0.00 C ATOM 650 C LYS A 42 14.773 6.209 4.482 1.00 0.00 C ATOM 651 O LYS A 42 15.898 6.452 4.091 1.00 0.00 O ATOM 652 CB LYS A 42 13.324 6.566 6.506 1.00 0.00 C ATOM 653 CG LYS A 42 12.810 7.640 7.467 1.00 0.00 C ATOM 654 CD LYS A 42 12.068 6.975 8.628 1.00 0.00 C ATOM 655 CE LYS A 42 13.051 6.142 9.453 1.00 0.00 C ATOM 656 NZ LYS A 42 12.502 6.157 10.837 1.00 0.00 N ATOM 0 H LYS A 42 11.915 7.651 4.907 1.00 0.00 H new ATOM 0 HA LYS A 42 14.674 8.017 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.501 5.927 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.046 5.925 7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.643 8.232 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.145 8.325 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.601 7.733 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.268 6.340 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.125 5.125 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.053 6.569 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.123 5.605 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.449 7.138 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.550 5.738 10.837 1.00 0.00 H new ATOM 670 N ALA A 43 14.196 5.066 4.224 1.00 0.00 N ATOM 671 CA ALA A 43 14.915 4.023 3.431 1.00 0.00 C ATOM 672 C ALA A 43 14.739 4.281 1.938 1.00 0.00 C ATOM 673 O ALA A 43 15.420 3.699 1.116 1.00 0.00 O ATOM 674 CB ALA A 43 14.240 2.700 3.798 1.00 0.00 C ATOM 0 H ALA A 43 13.257 4.808 4.528 1.00 0.00 H new ATOM 0 HA ALA A 43 15.984 4.021 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.716 1.885 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.339 2.526 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.183 2.745 3.534 1.00 0.00 H new ATOM 680 N GLY A 44 13.802 5.110 1.579 1.00 0.00 N ATOM 681 CA GLY A 44 13.554 5.356 0.138 1.00 0.00 C ATOM 682 C GLY A 44 12.814 4.136 -0.405 1.00 0.00 C ATOM 683 O GLY A 44 12.887 3.816 -1.576 1.00 0.00 O ATOM 0 H GLY A 44 13.200 5.626 2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.961 6.260 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.493 5.505 -0.394 1.00 0.00 H new ATOM 687 N LYS A 45 12.107 3.447 0.456 1.00 0.00 N ATOM 688 CA LYS A 45 11.364 2.236 0.026 1.00 0.00 C ATOM 689 C LYS A 45 9.961 2.631 -0.441 1.00 0.00 C ATOM 690 O LYS A 45 9.625 3.799 -0.489 1.00 0.00 O ATOM 691 CB LYS A 45 11.287 1.352 1.274 1.00 0.00 C ATOM 692 CG LYS A 45 10.445 2.041 2.353 1.00 0.00 C ATOM 693 CD LYS A 45 11.064 1.789 3.730 1.00 0.00 C ATOM 694 CE LYS A 45 10.991 3.067 4.569 1.00 0.00 C ATOM 695 NZ LYS A 45 11.394 2.649 5.942 1.00 0.00 N ATOM 0 H LYS A 45 12.016 3.678 1.445 1.00 0.00 H new ATOM 0 HA LYS A 45 11.848 1.721 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.848 0.387 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.290 1.156 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.392 3.112 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.423 1.662 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.535 0.980 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.101 1.473 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.659 3.835 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.985 3.486 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.369 3.472 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.737 1.922 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.358 2.260 5.918 1.00 0.00 H new ATOM 709 N TYR A 46 9.136 1.676 -0.777 1.00 0.00 N ATOM 710 CA TYR A 46 7.756 2.017 -1.232 1.00 0.00 C ATOM 711 C TYR A 46 6.732 1.525 -0.203 1.00 0.00 C ATOM 712 O TYR A 46 7.008 0.647 0.592 1.00 0.00 O ATOM 713 CB TYR A 46 7.558 1.286 -2.569 1.00 0.00 C ATOM 714 CG TYR A 46 8.708 1.559 -3.524 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.490 2.716 -3.393 1.00 0.00 C ATOM 716 CD2 TYR A 46 8.988 0.646 -4.548 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.547 2.954 -4.279 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.045 0.886 -5.435 1.00 0.00 C ATOM 719 CZ TYR A 46 10.825 2.039 -5.300 1.00 0.00 C ATOM 720 OH TYR A 46 11.866 2.275 -6.174 1.00 0.00 O ATOM 0 H TYR A 46 9.355 0.680 -0.757 1.00 0.00 H new ATOM 0 HA TYR A 46 7.622 3.093 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.477 0.214 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.621 1.605 -3.025 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.276 3.425 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.387 -0.245 -4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.149 3.845 -4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.258 0.180 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 46 11.923 1.541 -6.821 1.00 0.00 H new ATOM 730 N THR A 47 5.548 2.077 -0.225 1.00 0.00 N ATOM 731 CA THR A 47 4.496 1.638 0.739 1.00 0.00 C ATOM 732 C THR A 47 3.261 1.192 -0.038 1.00 0.00 C ATOM 733 O THR A 47 2.860 1.835 -0.985 1.00 0.00 O ATOM 734 CB THR A 47 4.180 2.871 1.593 1.00 0.00 C ATOM 735 OG1 THR A 47 5.350 3.274 2.290 1.00 0.00 O ATOM 736 CG2 THR A 47 3.074 2.535 2.600 1.00 0.00 C ATOM 0 H THR A 47 5.263 2.814 -0.870 1.00 0.00 H new ATOM 0 HA THR A 47 4.819 0.802 1.359 1.00 0.00 H new ATOM 0 HB THR A 47 3.842 3.681 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.150 4.063 2.835 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.853 3.415 3.205 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.176 2.228 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.406 1.724 3.248 1.00 0.00 H new ATOM 744 N VAL A 48 2.662 0.095 0.344 1.00 0.00 N ATOM 745 CA VAL A 48 1.458 -0.386 -0.393 1.00 0.00 C ATOM 746 C VAL A 48 0.184 -0.093 0.405 1.00 0.00 C ATOM 747 O VAL A 48 -0.045 -0.648 1.460 1.00 0.00 O ATOM 748 CB VAL A 48 1.665 -1.892 -0.553 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.473 -2.498 -1.294 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.944 -2.148 -1.355 1.00 0.00 C ATOM 0 H VAL A 48 2.953 -0.486 1.130 1.00 0.00 H new ATOM 0 HA VAL A 48 1.341 0.112 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 48 1.752 -2.351 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.623 -3.572 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.439 -2.317 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.385 -2.038 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.093 -3.222 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.855 -1.687 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.796 -1.718 -0.828 1.00 0.00 H new ATOM 760 N SER A 49 -0.644 0.776 -0.104 1.00 0.00 N ATOM 761 CA SER A 49 -1.911 1.120 0.603 1.00 0.00 C ATOM 762 C SER A 49 -3.070 0.300 0.034 1.00 0.00 C ATOM 763 O SER A 49 -3.487 0.504 -1.089 1.00 0.00 O ATOM 764 CB SER A 49 -2.121 2.602 0.307 1.00 0.00 C ATOM 765 OG SER A 49 -1.404 3.380 1.255 1.00 0.00 O ATOM 0 H SER A 49 -0.497 1.267 -0.986 1.00 0.00 H new ATOM 0 HA SER A 49 -1.864 0.910 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.780 2.834 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.183 2.845 0.349 1.00 0.00 H new ATOM 0 HG SER A 49 -0.610 2.886 1.550 1.00 0.00 H new ATOM 771 N VAL A 50 -3.598 -0.627 0.792 1.00 0.00 N ATOM 772 CA VAL A 50 -4.730 -1.447 0.268 1.00 0.00 C ATOM 773 C VAL A 50 -5.919 -1.407 1.235 1.00 0.00 C ATOM 774 O VAL A 50 -5.744 -1.351 2.438 1.00 0.00 O ATOM 775 CB VAL A 50 -4.178 -2.870 0.158 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.046 -2.900 -0.871 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.642 -3.325 1.519 1.00 0.00 C ATOM 0 H VAL A 50 -3.298 -0.850 1.741 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.092 -1.074 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.976 -3.542 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.653 -3.913 -0.950 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.428 -2.583 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.250 -2.225 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.250 -4.339 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.846 -2.653 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.448 -3.307 2.252 1.00 0.00 H new ATOM 787 N PHE A 51 -7.129 -1.431 0.730 1.00 0.00 N ATOM 788 CA PHE A 51 -8.307 -1.393 1.649 1.00 0.00 C ATOM 789 C PHE A 51 -9.406 -2.346 1.172 1.00 0.00 C ATOM 790 O PHE A 51 -9.378 -2.823 0.060 1.00 0.00 O ATOM 791 CB PHE A 51 -8.793 0.063 1.608 1.00 0.00 C ATOM 792 CG PHE A 51 -10.230 0.124 1.130 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.518 -0.020 -0.232 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.272 0.314 2.047 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.842 0.025 -0.676 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.597 0.360 1.601 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.883 0.215 0.239 1.00 0.00 C ATOM 0 H PHE A 51 -7.349 -1.475 -0.265 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.046 -1.711 2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.713 0.508 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -8.156 0.648 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.716 -0.166 -0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -11.052 0.425 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.062 -0.087 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.400 0.508 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.906 0.250 -0.105 1.00 0.00 H new ATOM 807 N ALA A 52 -10.389 -2.597 2.003 1.00 0.00 N ATOM 808 CA ALA A 52 -11.513 -3.492 1.590 1.00 0.00 C ATOM 809 C ALA A 52 -12.698 -3.374 2.550 1.00 0.00 C ATOM 810 O ALA A 52 -12.545 -3.044 3.704 1.00 0.00 O ATOM 811 CB ALA A 52 -10.962 -4.914 1.630 1.00 0.00 C ATOM 0 H ALA A 52 -10.461 -2.221 2.948 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.874 -3.219 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.743 -5.615 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.121 -4.998 0.941 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.628 -5.146 2.641 1.00 0.00 H new ATOM 817 N LYS A 53 -13.879 -3.656 2.077 1.00 0.00 N ATOM 818 CA LYS A 53 -15.075 -3.577 2.945 1.00 0.00 C ATOM 819 C LYS A 53 -15.546 -5.013 3.265 1.00 0.00 C ATOM 820 O LYS A 53 -16.523 -5.502 2.733 1.00 0.00 O ATOM 821 CB LYS A 53 -16.067 -2.775 2.083 1.00 0.00 C ATOM 822 CG LYS A 53 -17.490 -3.281 2.261 1.00 0.00 C ATOM 823 CD LYS A 53 -18.460 -2.101 2.218 1.00 0.00 C ATOM 824 CE LYS A 53 -19.688 -2.415 3.074 1.00 0.00 C ATOM 825 NZ LYS A 53 -20.756 -2.771 2.099 1.00 0.00 N ATOM 0 H LYS A 53 -14.064 -3.940 1.115 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.929 -3.100 3.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.017 -1.720 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -15.782 -2.848 1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.734 -3.995 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.584 -3.808 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.969 -1.200 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -18.762 -1.903 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -19.490 -3.238 3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -19.977 -1.556 3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -21.632 -3.000 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.927 -1.966 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.456 -3.596 1.541 1.00 0.00 H new ATOM 839 N SER A 54 -14.833 -5.697 4.127 1.00 0.00 N ATOM 840 CA SER A 54 -15.212 -7.103 4.488 1.00 0.00 C ATOM 841 C SER A 54 -14.184 -7.694 5.463 1.00 0.00 C ATOM 842 O SER A 54 -13.499 -8.648 5.153 1.00 0.00 O ATOM 843 CB SER A 54 -15.199 -7.880 3.168 1.00 0.00 C ATOM 844 OG SER A 54 -15.163 -9.274 3.442 1.00 0.00 O ATOM 0 H SER A 54 -14.001 -5.342 4.599 1.00 0.00 H new ATOM 0 HA SER A 54 -16.185 -7.150 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.084 -7.636 2.581 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.333 -7.593 2.572 1.00 0.00 H new ATOM 0 HG SER A 54 -14.318 -9.499 3.885 1.00 0.00 H new ATOM 850 N THR A 55 -14.069 -7.129 6.637 1.00 0.00 N ATOM 851 CA THR A 55 -13.081 -7.651 7.638 1.00 0.00 C ATOM 852 C THR A 55 -13.330 -6.966 8.984 1.00 0.00 C ATOM 853 O THR A 55 -14.458 -6.660 9.317 1.00 0.00 O ATOM 854 CB THR A 55 -11.693 -7.281 7.093 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.772 -6.942 5.715 1.00 0.00 O ATOM 856 CG2 THR A 55 -10.744 -8.466 7.271 1.00 0.00 C ATOM 0 H THR A 55 -14.616 -6.327 6.950 1.00 0.00 H new ATOM 0 HA THR A 55 -13.166 -8.728 7.786 1.00 0.00 H new ATOM 0 HB THR A 55 -11.318 -6.419 7.645 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.882 -7.758 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.759 -8.204 6.885 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.665 -8.713 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.131 -9.327 6.726 1.00 0.00 H new ATOM 864 N GLY A 56 -12.296 -6.697 9.756 1.00 0.00 N ATOM 865 CA GLY A 56 -12.508 -5.998 11.063 1.00 0.00 C ATOM 866 C GLY A 56 -13.446 -4.816 10.814 1.00 0.00 C ATOM 867 O GLY A 56 -14.284 -4.481 11.627 1.00 0.00 O ATOM 0 H GLY A 56 -11.327 -6.930 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.939 -6.680 11.796 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.558 -5.652 11.470 1.00 0.00 H new ATOM 871 N ASP A 57 -13.326 -4.222 9.657 1.00 0.00 N ATOM 872 CA ASP A 57 -14.216 -3.100 9.279 1.00 0.00 C ATOM 873 C ASP A 57 -15.078 -3.561 8.098 1.00 0.00 C ATOM 874 O ASP A 57 -14.741 -3.320 6.958 1.00 0.00 O ATOM 875 CB ASP A 57 -13.278 -1.976 8.852 1.00 0.00 C ATOM 876 CG ASP A 57 -13.851 -0.633 9.310 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.731 -0.126 8.635 1.00 0.00 O ATOM 878 OD2 ASP A 57 -13.399 -0.135 10.329 1.00 0.00 O ATOM 0 H ASP A 57 -12.636 -4.475 8.950 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.877 -2.775 10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.289 -2.129 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.156 -1.981 7.769 1.00 0.00 H new ATOM 883 N PRO A 58 -16.152 -4.240 8.404 1.00 0.00 N ATOM 884 CA PRO A 58 -17.050 -4.773 7.350 1.00 0.00 C ATOM 885 C PRO A 58 -17.467 -3.701 6.348 1.00 0.00 C ATOM 886 O PRO A 58 -17.930 -4.005 5.267 1.00 0.00 O ATOM 887 CB PRO A 58 -18.248 -5.267 8.157 1.00 0.00 C ATOM 888 CG PRO A 58 -17.970 -5.034 9.652 1.00 0.00 C ATOM 889 CD PRO A 58 -16.546 -4.496 9.808 1.00 0.00 C ATOM 0 HA PRO A 58 -16.577 -5.544 6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.151 -4.737 7.854 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.421 -6.326 7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.689 -4.326 10.064 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.085 -5.965 10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.518 -3.588 10.411 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.888 -5.219 10.290 1.00 0.00 H new ATOM 897 N GLN A 59 -17.330 -2.459 6.695 1.00 0.00 N ATOM 898 CA GLN A 59 -17.744 -1.381 5.752 1.00 0.00 C ATOM 899 C GLN A 59 -16.575 -0.458 5.389 1.00 0.00 C ATOM 900 O GLN A 59 -16.784 0.672 4.992 1.00 0.00 O ATOM 901 CB GLN A 59 -18.826 -0.599 6.495 1.00 0.00 C ATOM 902 CG GLN A 59 -18.316 -0.223 7.887 1.00 0.00 C ATOM 903 CD GLN A 59 -19.114 0.966 8.424 1.00 0.00 C ATOM 904 OE1 GLN A 59 -19.672 1.731 7.665 1.00 0.00 O ATOM 905 NE2 GLN A 59 -19.191 1.154 9.713 1.00 0.00 N ATOM 0 H GLN A 59 -16.951 -2.139 7.586 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.099 -1.799 4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -19.089 0.300 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.732 -1.199 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.413 -1.073 8.562 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.256 0.029 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -18.722 0.511 10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -19.720 1.944 10.082 1.00 0.00 H new ATOM 914 N GLY A 60 -15.354 -0.915 5.500 1.00 0.00 N ATOM 915 CA GLY A 60 -14.215 -0.028 5.132 1.00 0.00 C ATOM 916 C GLY A 60 -12.925 -0.449 5.844 1.00 0.00 C ATOM 917 O GLY A 60 -12.678 -0.069 6.971 1.00 0.00 O ATOM 0 H GLY A 60 -15.101 -1.848 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.063 -0.057 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.456 1.003 5.392 1.00 0.00 H new ATOM 921 N VAL A 61 -12.087 -1.208 5.185 1.00 0.00 N ATOM 922 CA VAL A 61 -10.800 -1.634 5.819 1.00 0.00 C ATOM 923 C VAL A 61 -9.627 -1.086 5.035 1.00 0.00 C ATOM 924 O VAL A 61 -9.667 -0.992 3.835 1.00 0.00 O ATOM 925 CB VAL A 61 -10.774 -3.160 5.754 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.531 -3.682 6.477 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.028 -3.728 6.407 1.00 0.00 C ATOM 0 H VAL A 61 -12.237 -1.551 4.236 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.729 -1.267 6.843 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.744 -3.475 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.513 -4.771 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.637 -3.284 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.556 -3.364 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.003 -4.817 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.070 -3.413 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.910 -3.361 5.882 1.00 0.00 H new ATOM 937 N ILE A 62 -8.589 -0.707 5.718 1.00 0.00 N ATOM 938 CA ILE A 62 -7.397 -0.138 5.025 1.00 0.00 C ATOM 939 C ILE A 62 -6.106 -0.519 5.757 1.00 0.00 C ATOM 940 O ILE A 62 -6.117 -0.878 6.918 1.00 0.00 O ATOM 941 CB ILE A 62 -7.597 1.379 5.067 1.00 0.00 C ATOM 942 CG1 ILE A 62 -9.076 1.687 5.354 1.00 0.00 C ATOM 943 CG2 ILE A 62 -7.182 1.976 3.717 1.00 0.00 C ATOM 944 CD1 ILE A 62 -9.346 3.182 5.270 1.00 0.00 C ATOM 0 H ILE A 62 -8.511 -0.766 6.733 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.305 -0.517 4.007 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.985 1.818 5.855 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.707 1.159 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.342 1.321 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -7.322 3.057 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.133 1.749 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.796 1.547 2.925 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.399 3.374 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.731 3.705 6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -9.102 3.540 4.270 1.00 0.00 H new ATOM 956 N ARG A 63 -4.991 -0.432 5.079 1.00 0.00 N ATOM 957 CA ARG A 63 -3.683 -0.777 5.715 1.00 0.00 C ATOM 958 C ARG A 63 -2.539 -0.459 4.744 1.00 0.00 C ATOM 959 O ARG A 63 -2.569 -0.852 3.595 1.00 0.00 O ATOM 960 CB ARG A 63 -3.753 -2.281 5.990 1.00 0.00 C ATOM 961 CG ARG A 63 -3.194 -2.577 7.385 1.00 0.00 C ATOM 962 CD ARG A 63 -1.717 -2.178 7.444 1.00 0.00 C ATOM 963 NE ARG A 63 -1.677 -0.978 8.323 1.00 0.00 N ATOM 964 CZ ARG A 63 -0.590 -0.688 8.984 1.00 0.00 C ATOM 965 NH1 ARG A 63 0.567 -0.719 8.382 1.00 0.00 N ATOM 966 NH2 ARG A 63 -0.661 -0.365 10.247 1.00 0.00 N ATOM 0 H ARG A 63 -4.929 -0.135 4.105 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.501 -0.211 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.785 -2.626 5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.184 -2.825 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.759 -2.028 8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.304 -3.637 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.106 -2.985 7.849 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.329 -1.953 6.451 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.500 -0.382 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.622 -0.970 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.417 -0.492 8.898 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.566 -0.339 10.717 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.189 -0.138 10.764 1.00 0.00 H new ATOM 980 N HIS A 64 -1.535 0.252 5.190 1.00 0.00 N ATOM 981 CA HIS A 64 -0.403 0.592 4.273 1.00 0.00 C ATOM 982 C HIS A 64 0.796 -0.318 4.536 1.00 0.00 C ATOM 983 O HIS A 64 1.547 -0.117 5.471 1.00 0.00 O ATOM 984 CB HIS A 64 -0.025 2.048 4.573 1.00 0.00 C ATOM 985 CG HIS A 64 -1.265 2.880 4.759 1.00 0.00 C ATOM 986 ND1 HIS A 64 -1.910 3.484 3.695 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.989 3.215 5.876 1.00 0.00 C ATOM 988 CE1 HIS A 64 -2.971 4.147 4.186 1.00 0.00 C ATOM 989 NE2 HIS A 64 -3.066 4.016 5.512 1.00 0.00 N ATOM 0 H HIS A 64 -1.449 0.610 6.141 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.694 0.458 3.231 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.590 2.094 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.573 2.452 3.756 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.631 3.435 2.715 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.758 2.904 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.662 4.716 3.582 1.00 0.00 H new ATOM 997 N TYR A 65 0.996 -1.301 3.704 1.00 0.00 N ATOM 998 CA TYR A 65 2.163 -2.208 3.885 1.00 0.00 C ATOM 999 C TYR A 65 3.404 -1.528 3.323 1.00 0.00 C ATOM 1000 O TYR A 65 3.415 -1.089 2.195 1.00 0.00 O ATOM 1001 CB TYR A 65 1.848 -3.452 3.062 1.00 0.00 C ATOM 1002 CG TYR A 65 0.468 -3.982 3.397 1.00 0.00 C ATOM 1003 CD1 TYR A 65 -0.031 -3.886 4.703 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.308 -4.584 2.397 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.302 -4.387 5.007 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.576 -5.088 2.703 1.00 0.00 C ATOM 1007 CZ TYR A 65 -2.074 -4.989 4.008 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.325 -5.486 4.309 1.00 0.00 O ATOM 0 H TYR A 65 0.400 -1.516 2.905 1.00 0.00 H new ATOM 0 HA TYR A 65 2.341 -2.452 4.932 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.904 -3.215 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.595 -4.221 3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.566 -3.425 5.476 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.074 -4.659 1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.687 -4.309 6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.172 -5.554 1.932 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.727 -5.870 3.502 1.00 0.00 H new ATOM 1018 N VAL A 66 4.448 -1.434 4.085 1.00 0.00 N ATOM 1019 CA VAL A 66 5.673 -0.770 3.559 1.00 0.00 C ATOM 1020 C VAL A 66 6.792 -1.786 3.382 1.00 0.00 C ATOM 1021 O VAL A 66 6.741 -2.880 3.903 1.00 0.00 O ATOM 1022 CB VAL A 66 6.070 0.273 4.602 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.277 1.061 4.083 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.902 1.234 4.848 1.00 0.00 C ATOM 0 H VAL A 66 4.512 -1.783 5.041 1.00 0.00 H new ATOM 0 HA VAL A 66 5.490 -0.314 2.586 1.00 0.00 H new ATOM 0 HB VAL A 66 6.325 -0.225 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.568 1.809 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.109 0.379 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.013 1.557 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.191 1.975 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.643 1.737 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.040 0.674 5.210 1.00 0.00 H new ATOM 1034 N VAL A 67 7.809 -1.429 2.652 1.00 0.00 N ATOM 1035 CA VAL A 67 8.933 -2.374 2.448 1.00 0.00 C ATOM 1036 C VAL A 67 10.197 -1.853 3.127 1.00 0.00 C ATOM 1037 O VAL A 67 10.654 -0.761 2.861 1.00 0.00 O ATOM 1038 CB VAL A 67 9.131 -2.441 0.938 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.352 -3.309 0.633 1.00 0.00 C ATOM 1040 CG2 VAL A 67 7.886 -3.052 0.287 1.00 0.00 C ATOM 0 H VAL A 67 7.908 -0.525 2.190 1.00 0.00 H new ATOM 0 HA VAL A 67 8.723 -3.354 2.876 1.00 0.00 H new ATOM 0 HB VAL A 67 9.287 -1.438 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.500 -3.362 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.235 -2.872 1.100 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.192 -4.313 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.027 -3.100 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.727 -4.057 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.017 -2.434 0.512 1.00 0.00 H new ATOM 1050 N CYS A 68 10.773 -2.639 3.988 1.00 0.00 N ATOM 1051 CA CYS A 68 12.021 -2.209 4.671 1.00 0.00 C ATOM 1052 C CYS A 68 13.217 -2.570 3.793 1.00 0.00 C ATOM 1053 O CYS A 68 13.135 -3.457 2.968 1.00 0.00 O ATOM 1054 CB CYS A 68 12.046 -2.992 5.984 1.00 0.00 C ATOM 1055 SG CYS A 68 13.487 -2.492 6.959 1.00 0.00 S ATOM 0 H CYS A 68 10.432 -3.564 4.249 1.00 0.00 H new ATOM 0 HA CYS A 68 12.062 -1.135 4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.131 -2.808 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.085 -4.062 5.781 1.00 0.00 H new ATOM 0 HG CYS A 68 14.199 -3.540 7.250 1.00 0.00 H new ATOM 1061 N SER A 69 14.319 -1.888 3.945 1.00 0.00 N ATOM 1062 CA SER A 69 15.502 -2.202 3.091 1.00 0.00 C ATOM 1063 C SER A 69 16.769 -2.359 3.933 1.00 0.00 C ATOM 1064 O SER A 69 17.097 -1.520 4.749 1.00 0.00 O ATOM 1065 CB SER A 69 15.640 -1.011 2.142 1.00 0.00 C ATOM 1066 OG SER A 69 15.071 0.147 2.740 1.00 0.00 O ATOM 0 H SER A 69 14.452 -1.133 4.617 1.00 0.00 H new ATOM 0 HA SER A 69 15.368 -3.143 2.558 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.691 -0.835 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.141 -1.227 1.197 1.00 0.00 H new ATOM 0 HG SER A 69 14.110 0.174 2.551 1.00 0.00 H new ATOM 1072 N THR A 70 17.492 -3.425 3.719 1.00 0.00 N ATOM 1073 CA THR A 70 18.756 -3.646 4.479 1.00 0.00 C ATOM 1074 C THR A 70 19.944 -3.194 3.610 1.00 0.00 C ATOM 1075 O THR A 70 19.822 -3.128 2.403 1.00 0.00 O ATOM 1076 CB THR A 70 18.793 -5.156 4.756 1.00 0.00 C ATOM 1077 OG1 THR A 70 19.882 -5.459 5.614 1.00 0.00 O ATOM 1078 CG2 THR A 70 18.949 -5.929 3.447 1.00 0.00 C ATOM 0 H THR A 70 17.260 -4.156 3.047 1.00 0.00 H new ATOM 0 HA THR A 70 18.810 -3.082 5.410 1.00 0.00 H new ATOM 0 HB THR A 70 17.858 -5.448 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.901 -6.423 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 70 18.974 -6.998 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.107 -5.707 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.877 -5.633 2.958 1.00 0.00 H new ATOM 1086 N PRO A 71 21.050 -2.868 4.240 1.00 0.00 N ATOM 1087 CA PRO A 71 22.238 -2.389 3.487 1.00 0.00 C ATOM 1088 C PRO A 71 22.821 -3.448 2.545 1.00 0.00 C ATOM 1089 O PRO A 71 23.802 -3.197 1.870 1.00 0.00 O ATOM 1090 CB PRO A 71 23.225 -2.033 4.603 1.00 0.00 C ATOM 1091 CG PRO A 71 22.562 -2.325 5.963 1.00 0.00 C ATOM 1092 CD PRO A 71 21.180 -2.946 5.716 1.00 0.00 C ATOM 0 HA PRO A 71 21.998 -1.557 2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.141 -2.615 4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.506 -0.982 4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.182 -3.005 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.465 -1.406 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.128 -3.974 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.390 -2.392 6.223 1.00 0.00 H new ATOM 1100 N GLN A 72 22.235 -4.609 2.460 1.00 0.00 N ATOM 1101 CA GLN A 72 22.777 -5.632 1.525 1.00 0.00 C ATOM 1102 C GLN A 72 22.025 -5.537 0.189 1.00 0.00 C ATOM 1103 O GLN A 72 21.938 -6.488 -0.559 1.00 0.00 O ATOM 1104 CB GLN A 72 22.525 -6.975 2.224 1.00 0.00 C ATOM 1105 CG GLN A 72 22.982 -8.140 1.337 1.00 0.00 C ATOM 1106 CD GLN A 72 24.431 -7.921 0.892 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.356 -8.219 1.621 1.00 0.00 O ATOM 1108 NE2 GLN A 72 24.668 -7.410 -0.285 1.00 0.00 N ATOM 0 H GLN A 72 21.412 -4.892 2.992 1.00 0.00 H new ATOM 0 HA GLN A 72 23.836 -5.501 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.059 -7.003 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.464 -7.079 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 72 22.899 -9.079 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.333 -8.220 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 72 23.892 -7.159 -0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.629 -7.261 -0.592 1.00 0.00 H new ATOM 1117 N SER A 73 21.473 -4.381 -0.111 1.00 0.00 N ATOM 1118 CA SER A 73 20.711 -4.210 -1.386 1.00 0.00 C ATOM 1119 C SER A 73 19.516 -5.160 -1.384 1.00 0.00 C ATOM 1120 O SER A 73 19.279 -5.882 -2.333 1.00 0.00 O ATOM 1121 CB SER A 73 21.692 -4.572 -2.505 1.00 0.00 C ATOM 1122 OG SER A 73 21.540 -3.652 -3.578 1.00 0.00 O ATOM 0 H SER A 73 21.520 -3.549 0.477 1.00 0.00 H new ATOM 0 HA SER A 73 20.329 -3.197 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.715 -4.546 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.506 -5.588 -2.853 1.00 0.00 H new ATOM 0 HG SER A 73 22.168 -3.880 -4.295 1.00 0.00 H new ATOM 1128 N GLN A 74 18.779 -5.183 -0.305 1.00 0.00 N ATOM 1129 CA GLN A 74 17.612 -6.110 -0.214 1.00 0.00 C ATOM 1130 C GLN A 74 16.397 -5.387 0.379 1.00 0.00 C ATOM 1131 O GLN A 74 16.498 -4.272 0.850 1.00 0.00 O ATOM 1132 CB GLN A 74 18.078 -7.236 0.713 1.00 0.00 C ATOM 1133 CG GLN A 74 19.606 -7.322 0.703 1.00 0.00 C ATOM 1134 CD GLN A 74 20.049 -8.684 1.243 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.160 -8.871 2.438 1.00 0.00 O ATOM 1136 NE2 GLN A 74 20.312 -9.648 0.405 1.00 0.00 N ATOM 0 H GLN A 74 18.934 -4.600 0.517 1.00 0.00 H new ATOM 0 HA GLN A 74 17.304 -6.484 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 17.722 -7.054 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 74 17.650 -8.185 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 74 19.981 -7.182 -0.311 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.029 -6.523 1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.219 -9.491 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 74 20.611 -10.559 0.753 1.00 0.00 H new ATOM 1145 N TYR A 75 15.241 -6.006 0.337 1.00 0.00 N ATOM 1146 CA TYR A 75 14.012 -5.332 0.879 1.00 0.00 C ATOM 1147 C TYR A 75 13.032 -6.345 1.485 1.00 0.00 C ATOM 1148 O TYR A 75 13.059 -7.512 1.169 1.00 0.00 O ATOM 1149 CB TYR A 75 13.355 -4.654 -0.324 1.00 0.00 C ATOM 1150 CG TYR A 75 14.369 -3.825 -1.069 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.234 -4.439 -1.978 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.445 -2.448 -0.849 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.179 -3.678 -2.667 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.390 -1.684 -1.539 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.260 -2.299 -2.448 1.00 0.00 C ATOM 1156 OH TYR A 75 17.193 -1.545 -3.130 1.00 0.00 O ATOM 0 H TYR A 75 15.093 -6.940 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 75 14.276 -4.631 1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 75 12.930 -5.407 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.532 -4.022 0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.171 -5.504 -2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.775 -1.974 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 75 16.848 -4.154 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.449 -0.619 -1.371 1.00 0.00 H new ATOM 0 HH TYR A 75 17.114 -0.606 -2.862 1.00 0.00 H new ATOM 1166 N TYR A 76 12.147 -5.886 2.337 1.00 0.00 N ATOM 1167 CA TYR A 76 11.137 -6.799 2.969 1.00 0.00 C ATOM 1168 C TYR A 76 10.226 -6.017 3.922 1.00 0.00 C ATOM 1169 O TYR A 76 10.574 -4.954 4.388 1.00 0.00 O ATOM 1170 CB TYR A 76 11.951 -7.822 3.784 1.00 0.00 C ATOM 1171 CG TYR A 76 12.794 -7.103 4.817 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.221 -6.716 6.033 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.146 -6.837 4.568 1.00 0.00 C ATOM 1174 CE1 TYR A 76 12.992 -6.064 6.998 1.00 0.00 C ATOM 1175 CE2 TYR A 76 14.919 -6.186 5.535 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.343 -5.799 6.750 1.00 0.00 C ATOM 1177 OH TYR A 76 15.107 -5.157 7.703 1.00 0.00 O ATOM 0 H TYR A 76 12.079 -4.910 2.625 1.00 0.00 H new ATOM 0 HA TYR A 76 10.508 -7.270 2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.279 -8.526 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.591 -8.403 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.179 -6.922 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.592 -7.134 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.546 -5.765 7.935 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.962 -5.982 5.344 1.00 0.00 H new ATOM 0 HH TYR A 76 16.023 -5.052 7.371 1.00 0.00 H new ATOM 1187 N LEU A 77 9.099 -6.574 4.271 1.00 0.00 N ATOM 1188 CA LEU A 77 8.202 -5.899 5.258 1.00 0.00 C ATOM 1189 C LEU A 77 8.475 -6.561 6.611 1.00 0.00 C ATOM 1190 O LEU A 77 8.100 -6.082 7.662 1.00 0.00 O ATOM 1191 CB LEU A 77 6.772 -6.181 4.785 1.00 0.00 C ATOM 1192 CG LEU A 77 5.830 -5.093 5.312 1.00 0.00 C ATOM 1193 CD1 LEU A 77 4.817 -4.717 4.227 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.080 -5.611 6.542 1.00 0.00 C ATOM 0 H LEU A 77 8.758 -7.468 3.917 1.00 0.00 H new ATOM 0 HA LEU A 77 8.358 -4.824 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.738 -6.209 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.448 -7.159 5.139 1.00 0.00 H new ATOM 0 HG LEU A 77 6.417 -4.216 5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.149 -3.943 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.345 -4.343 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.235 -5.597 3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.411 -4.835 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.498 -6.491 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.796 -5.876 7.320 1.00 0.00 H new ATOM 1206 N ALA A 78 9.193 -7.652 6.553 1.00 0.00 N ATOM 1207 CA ALA A 78 9.611 -8.402 7.758 1.00 0.00 C ATOM 1208 C ALA A 78 10.943 -9.067 7.404 1.00 0.00 C ATOM 1209 O ALA A 78 11.035 -9.789 6.431 1.00 0.00 O ATOM 1210 CB ALA A 78 8.516 -9.444 8.001 1.00 0.00 C ATOM 0 H ALA A 78 9.516 -8.064 5.678 1.00 0.00 H new ATOM 0 HA ALA A 78 9.739 -7.790 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.765 -10.035 8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.563 -8.940 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.439 -10.100 7.134 1.00 0.00 H new ATOM 1216 N GLU A 79 11.981 -8.804 8.151 1.00 0.00 N ATOM 1217 CA GLU A 79 13.317 -9.396 7.819 1.00 0.00 C ATOM 1218 C GLU A 79 13.207 -10.899 7.549 1.00 0.00 C ATOM 1219 O GLU A 79 14.081 -11.492 6.947 1.00 0.00 O ATOM 1220 CB GLU A 79 14.187 -9.134 9.047 1.00 0.00 C ATOM 1221 CG GLU A 79 14.890 -7.788 8.888 1.00 0.00 C ATOM 1222 CD GLU A 79 15.964 -7.641 9.968 1.00 0.00 C ATOM 1223 OE1 GLU A 79 15.673 -7.953 11.111 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.059 -7.219 9.633 1.00 0.00 O ATOM 0 H GLU A 79 11.966 -8.206 8.977 1.00 0.00 H new ATOM 0 HA GLU A 79 13.736 -8.954 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.574 -9.133 9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.922 -9.930 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.342 -7.717 7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.167 -6.977 8.967 1.00 0.00 H new ATOM 1231 N LYS A 80 12.139 -11.510 7.982 1.00 0.00 N ATOM 1232 CA LYS A 80 11.953 -12.977 7.747 1.00 0.00 C ATOM 1233 C LYS A 80 12.343 -13.344 6.309 1.00 0.00 C ATOM 1234 O LYS A 80 12.934 -14.376 6.061 1.00 0.00 O ATOM 1235 CB LYS A 80 10.458 -13.218 7.963 1.00 0.00 C ATOM 1236 CG LYS A 80 10.238 -13.892 9.319 1.00 0.00 C ATOM 1237 CD LYS A 80 8.772 -13.742 9.732 1.00 0.00 C ATOM 1238 CE LYS A 80 8.615 -12.506 10.621 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.364 -12.746 11.393 1.00 0.00 N ATOM 0 H LYS A 80 11.381 -11.057 8.492 1.00 0.00 H new ATOM 0 HA LYS A 80 12.574 -13.581 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.917 -12.272 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.061 -13.846 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.504 -14.947 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.886 -13.441 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.142 -13.649 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.441 -14.632 10.267 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.471 -12.385 11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.543 -11.597 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.187 -11.941 12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.565 -12.851 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.465 -13.614 11.956 1.00 0.00 H new ATOM 1253 N HIS A 81 12.022 -12.497 5.366 1.00 0.00 N ATOM 1254 CA HIS A 81 12.378 -12.781 3.945 1.00 0.00 C ATOM 1255 C HIS A 81 12.528 -11.463 3.190 1.00 0.00 C ATOM 1256 O HIS A 81 11.759 -10.541 3.386 1.00 0.00 O ATOM 1257 CB HIS A 81 11.207 -13.586 3.386 1.00 0.00 C ATOM 1258 CG HIS A 81 11.126 -14.916 4.084 1.00 0.00 C ATOM 1259 ND1 HIS A 81 12.138 -15.859 3.994 1.00 0.00 N ATOM 1260 CD2 HIS A 81 10.163 -15.474 4.886 1.00 0.00 C ATOM 1261 CE1 HIS A 81 11.763 -16.926 4.724 1.00 0.00 C ATOM 1262 NE2 HIS A 81 10.567 -16.743 5.290 1.00 0.00 N ATOM 0 H HIS A 81 11.527 -11.618 5.520 1.00 0.00 H new ATOM 0 HA HIS A 81 13.317 -13.326 3.850 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.276 -13.035 3.523 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.334 -13.734 2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.232 -15.000 5.162 1.00 0.00 H new ATOM 0 HE1 HIS A 81 12.357 -17.821 4.838 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.059 -17.393 5.889 1.00 0.00 H new ATOM 1270 N LEU A 82 13.513 -11.351 2.343 1.00 0.00 N ATOM 1271 CA LEU A 82 13.697 -10.077 1.605 1.00 0.00 C ATOM 1272 C LEU A 82 14.278 -10.338 0.211 1.00 0.00 C ATOM 1273 O LEU A 82 15.080 -11.231 0.017 1.00 0.00 O ATOM 1274 CB LEU A 82 14.662 -9.264 2.478 1.00 0.00 C ATOM 1275 CG LEU A 82 16.042 -9.917 2.501 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.059 -8.925 3.068 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.020 -11.169 3.386 1.00 0.00 C ATOM 0 H LEU A 82 14.192 -12.082 2.133 1.00 0.00 H new ATOM 0 HA LEU A 82 12.759 -9.547 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.741 -8.247 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.271 -9.192 3.493 1.00 0.00 H new ATOM 0 HG LEU A 82 16.318 -10.200 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.046 -9.387 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.087 -8.034 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.770 -8.647 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.010 -11.626 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.740 -10.891 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.295 -11.881 2.991 1.00 0.00 H new ATOM 1289 N PHE A 83 13.876 -9.563 -0.759 1.00 0.00 N ATOM 1290 CA PHE A 83 14.400 -9.758 -2.141 1.00 0.00 C ATOM 1291 C PHE A 83 15.259 -8.551 -2.544 1.00 0.00 C ATOM 1292 O PHE A 83 16.017 -8.045 -1.742 1.00 0.00 O ATOM 1293 CB PHE A 83 13.150 -9.903 -3.012 1.00 0.00 C ATOM 1294 CG PHE A 83 12.556 -11.274 -2.781 1.00 0.00 C ATOM 1295 CD1 PHE A 83 13.221 -12.411 -3.256 1.00 0.00 C ATOM 1296 CD2 PHE A 83 11.346 -11.410 -2.089 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.677 -13.682 -3.040 1.00 0.00 C ATOM 1298 CE2 PHE A 83 10.802 -12.682 -1.874 1.00 0.00 C ATOM 1299 CZ PHE A 83 11.467 -13.818 -2.349 1.00 0.00 C ATOM 0 H PHE A 83 13.206 -8.801 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 83 15.046 -10.630 -2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.424 -9.129 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.405 -9.774 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.154 -12.307 -3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.833 -10.534 -1.721 1.00 0.00 H new ATOM 0 HE1 PHE A 83 13.191 -14.558 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.868 -12.787 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.047 -14.799 -2.183 1.00 0.00 H new ATOM 1309 N SER A 84 15.175 -8.088 -3.768 1.00 0.00 N ATOM 1310 CA SER A 84 16.024 -6.927 -4.172 1.00 0.00 C ATOM 1311 C SER A 84 15.173 -5.722 -4.607 1.00 0.00 C ATOM 1312 O SER A 84 15.699 -4.730 -5.073 1.00 0.00 O ATOM 1313 CB SER A 84 16.854 -7.441 -5.347 1.00 0.00 C ATOM 1314 OG SER A 84 17.661 -6.385 -5.852 1.00 0.00 O ATOM 0 H SER A 84 14.563 -8.459 -4.495 1.00 0.00 H new ATOM 0 HA SER A 84 16.638 -6.577 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.482 -8.272 -5.027 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.199 -7.820 -6.131 1.00 0.00 H new ATOM 0 HG SER A 84 17.246 -5.524 -5.635 1.00 0.00 H new ATOM 1320 N THR A 85 13.873 -5.784 -4.454 1.00 0.00 N ATOM 1321 CA THR A 85 13.017 -4.616 -4.852 1.00 0.00 C ATOM 1322 C THR A 85 11.591 -4.787 -4.316 1.00 0.00 C ATOM 1323 O THR A 85 11.167 -5.882 -3.987 1.00 0.00 O ATOM 1324 CB THR A 85 12.989 -4.603 -6.387 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.233 -5.045 -6.909 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.707 -3.179 -6.874 1.00 0.00 C ATOM 0 H THR A 85 13.368 -6.585 -4.074 1.00 0.00 H new ATOM 0 HA THR A 85 13.416 -3.687 -4.446 1.00 0.00 H new ATOM 0 HB THR A 85 12.205 -5.276 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.952 -4.469 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.686 -3.165 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.743 -2.847 -6.488 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.491 -2.511 -6.517 1.00 0.00 H new ATOM 1334 N ILE A 86 10.840 -3.714 -4.239 1.00 0.00 N ATOM 1335 CA ILE A 86 9.439 -3.824 -3.736 1.00 0.00 C ATOM 1336 C ILE A 86 8.575 -4.643 -4.716 1.00 0.00 C ATOM 1337 O ILE A 86 7.960 -5.610 -4.309 1.00 0.00 O ATOM 1338 CB ILE A 86 8.945 -2.379 -3.610 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.454 -1.790 -2.291 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.412 -2.339 -3.627 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.681 -0.916 -2.559 1.00 0.00 C ATOM 0 H ILE A 86 11.136 -2.774 -4.501 1.00 0.00 H new ATOM 0 HA ILE A 86 9.379 -4.345 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 86 9.322 -1.796 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.670 -1.198 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.710 -2.591 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.074 -1.307 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.047 -2.760 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.024 -2.922 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.042 -0.498 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.466 -1.521 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.410 -0.106 -3.236 1.00 0.00 H new ATOM 1353 N PRO A 87 8.548 -4.258 -5.980 1.00 0.00 N ATOM 1354 CA PRO A 87 7.744 -5.015 -6.970 1.00 0.00 C ATOM 1355 C PRO A 87 8.159 -6.485 -6.956 1.00 0.00 C ATOM 1356 O PRO A 87 7.356 -7.371 -7.175 1.00 0.00 O ATOM 1357 CB PRO A 87 8.105 -4.336 -8.295 1.00 0.00 C ATOM 1358 CG PRO A 87 9.103 -3.200 -8.009 1.00 0.00 C ATOM 1359 CD PRO A 87 9.297 -3.084 -6.491 1.00 0.00 C ATOM 0 HA PRO A 87 6.671 -5.006 -6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.542 -5.059 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.209 -3.941 -8.774 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.056 -3.403 -8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.731 -2.259 -8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.350 -3.122 -6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.898 -2.147 -6.101 1.00 0.00 H new ATOM 1367 N GLU A 88 9.407 -6.748 -6.673 1.00 0.00 N ATOM 1368 CA GLU A 88 9.872 -8.161 -6.611 1.00 0.00 C ATOM 1369 C GLU A 88 9.171 -8.856 -5.445 1.00 0.00 C ATOM 1370 O GLU A 88 8.462 -9.826 -5.624 1.00 0.00 O ATOM 1371 CB GLU A 88 11.380 -8.078 -6.367 1.00 0.00 C ATOM 1372 CG GLU A 88 12.076 -9.259 -7.048 1.00 0.00 C ATOM 1373 CD GLU A 88 12.485 -8.862 -8.468 1.00 0.00 C ATOM 1374 OE1 GLU A 88 13.264 -7.933 -8.602 1.00 0.00 O ATOM 1375 OE2 GLU A 88 12.011 -9.495 -9.398 1.00 0.00 O ATOM 0 H GLU A 88 10.122 -6.046 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 88 9.651 -8.725 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.771 -7.138 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.587 -8.089 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.954 -9.556 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.408 -10.120 -7.078 1.00 0.00 H new ATOM 1382 N LEU A 89 9.355 -8.348 -4.249 1.00 0.00 N ATOM 1383 CA LEU A 89 8.688 -8.956 -3.054 1.00 0.00 C ATOM 1384 C LEU A 89 7.201 -9.197 -3.339 1.00 0.00 C ATOM 1385 O LEU A 89 6.704 -10.298 -3.208 1.00 0.00 O ATOM 1386 CB LEU A 89 8.841 -7.912 -1.941 1.00 0.00 C ATOM 1387 CG LEU A 89 10.118 -8.176 -1.142 1.00 0.00 C ATOM 1388 CD1 LEU A 89 10.653 -6.854 -0.584 1.00 0.00 C ATOM 1389 CD2 LEU A 89 9.805 -9.126 0.016 1.00 0.00 C ATOM 0 H LEU A 89 9.940 -7.537 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 89 9.127 -9.917 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.874 -6.912 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.976 -7.946 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 89 10.868 -8.627 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.563 -7.041 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.873 -6.174 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.904 -6.404 0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.714 -9.316 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.056 -8.673 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.422 -10.067 -0.379 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.284 -3.727 -7.023 1.00 0.00 N ATOM 1663 CA TYR A 106 -7.962 -2.644 -7.790 1.00 0.00 C ATOM 1664 C TYR A 106 -7.043 -1.417 -7.912 1.00 0.00 C ATOM 1665 O TYR A 106 -6.783 -0.747 -6.932 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.214 -2.300 -6.985 1.00 0.00 C ATOM 1667 CG TYR A 106 -9.974 -1.217 -7.703 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.629 0.122 -7.500 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.014 -1.548 -8.577 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.325 1.135 -8.170 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -11.711 -0.537 -9.250 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.367 0.805 -9.045 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.054 1.802 -9.708 1.00 0.00 O ATOM 0 HA TYR A 106 -8.208 -2.957 -8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.840 -3.184 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.939 -1.967 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.825 0.375 -6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.280 -2.583 -8.733 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.059 2.170 -8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.513 -0.792 -9.927 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.056 2.616 -9.163 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.571 -1.158 -9.113 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.670 -0.004 -9.346 1.00 0.00 C ATOM 1685 C PRO A 107 -6.378 1.332 -9.097 1.00 0.00 C ATOM 1686 O PRO A 107 -7.096 1.833 -9.941 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.305 -0.150 -10.825 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.023 -1.388 -11.393 1.00 0.00 C ATOM 1689 CD PRO A 107 -6.898 -1.998 -10.291 1.00 0.00 C ATOM 0 HA PRO A 107 -4.810 -0.002 -8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.599 0.743 -11.376 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.226 -0.254 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -6.635 -1.109 -12.251 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.295 -2.119 -11.745 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.958 -1.949 -10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.659 -3.048 -10.119 1.00 0.00 H new