USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 54 ASN : amide:sc= -3.45! C(o=-3.4!,f=-3.8!) USER MOD Set 1.2: A 57 CYS SG : rot 39:sc= 0.0291 USER MOD Set 2.1: A 27 ASN : amide:sc= -2.88! K(o=-2.8!,f=-0.55) USER MOD Set 2.2: A 31 SER OG : rot 73:sc= 0.0826 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.6!) USER MOD Single : A 25 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.039) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 152:sc= -2.18 (180deg=-3.76!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -178:sc= -2.43 (180deg=-2.52) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00578 USER MOD Single : A 70 LYS NZ :NH3+ -104:sc= -0.543 (180deg=-1.71!) USER MOD Single : A 73 SER OG : rot 80:sc= 0.131 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -138:sc= -1.24 (180deg=-3.26!) USER MOD Single : A 86 SER OG : rot -83:sc= 0.754 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 6.399 18.771 -11.622 1.00 0.00 N ATOM 163 CA SER A 14 6.102 19.412 -10.352 1.00 0.00 C ATOM 164 C SER A 14 4.897 18.736 -9.695 1.00 0.00 C ATOM 165 O SER A 14 5.044 18.032 -8.697 1.00 0.00 O ATOM 166 CB SER A 14 5.835 20.907 -10.539 1.00 0.00 C ATOM 167 OG SER A 14 5.981 21.631 -9.321 1.00 0.00 O ATOM 0 HA SER A 14 6.971 19.304 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.523 21.308 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.826 21.050 -10.927 1.00 0.00 H new ATOM 0 HG SER A 14 5.804 22.581 -9.482 1.00 0.00 H new ATOM 173 N LYS A 15 3.733 18.973 -10.281 1.00 0.00 N ATOM 174 CA LYS A 15 2.503 18.396 -9.764 1.00 0.00 C ATOM 175 C LYS A 15 2.454 16.909 -10.120 1.00 0.00 C ATOM 176 O LYS A 15 1.879 16.109 -9.383 1.00 0.00 O ATOM 177 CB LYS A 15 1.291 19.187 -10.259 1.00 0.00 C ATOM 178 CG LYS A 15 0.025 18.781 -9.502 1.00 0.00 C ATOM 179 CD LYS A 15 -0.851 17.859 -10.353 1.00 0.00 C ATOM 180 CE LYS A 15 -2.333 18.055 -10.026 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.154 17.938 -11.252 1.00 0.00 N ATOM 0 H LYS A 15 3.615 19.557 -11.109 1.00 0.00 H new ATOM 0 HA LYS A 15 2.477 18.465 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.471 20.254 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.152 19.016 -11.326 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.297 18.276 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.539 19.672 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.678 18.061 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.570 16.821 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.652 17.312 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.485 19.034 -9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.157 18.074 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.860 18.664 -11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.022 16.995 -11.669 1.00 0.00 H new ATOM 195 N VAL A 16 3.065 16.583 -11.250 1.00 0.00 N ATOM 196 CA VAL A 16 3.098 15.206 -11.712 1.00 0.00 C ATOM 197 C VAL A 16 4.148 14.430 -10.914 1.00 0.00 C ATOM 198 O VAL A 16 3.858 13.364 -10.373 1.00 0.00 O ATOM 199 CB VAL A 16 3.346 15.167 -13.221 1.00 0.00 C ATOM 200 CG1 VAL A 16 3.197 13.744 -13.765 1.00 0.00 C ATOM 201 CG2 VAL A 16 2.415 16.134 -13.955 1.00 0.00 C ATOM 0 H VAL A 16 3.541 17.249 -11.859 1.00 0.00 H new ATOM 0 HA VAL A 16 2.136 14.722 -11.541 1.00 0.00 H new ATOM 0 HB VAL A 16 4.372 15.489 -13.400 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.378 13.745 -14.840 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.919 13.090 -13.276 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.188 13.383 -13.568 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.612 16.087 -15.026 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.378 15.856 -13.764 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.590 17.149 -13.598 1.00 0.00 H new ATOM 211 N GLU A 17 5.345 14.994 -10.866 1.00 0.00 N ATOM 212 CA GLU A 17 6.439 14.369 -10.143 1.00 0.00 C ATOM 213 C GLU A 17 5.990 13.979 -8.733 1.00 0.00 C ATOM 214 O GLU A 17 6.399 12.943 -8.211 1.00 0.00 O ATOM 215 CB GLU A 17 7.661 15.288 -10.094 1.00 0.00 C ATOM 216 CG GLU A 17 8.769 14.776 -11.017 1.00 0.00 C ATOM 217 CD GLU A 17 9.921 14.174 -10.209 1.00 0.00 C ATOM 218 OE1 GLU A 17 10.159 14.685 -9.093 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.538 13.217 -10.726 1.00 0.00 O ATOM 0 H GLU A 17 5.582 15.878 -11.316 1.00 0.00 H new ATOM 0 HA GLU A 17 6.728 13.463 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.374 16.297 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.034 15.349 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.364 14.025 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.141 15.594 -11.633 1.00 0.00 H new ATOM 226 N LYS A 18 5.154 14.830 -8.157 1.00 0.00 N ATOM 227 CA LYS A 18 4.644 14.588 -6.818 1.00 0.00 C ATOM 228 C LYS A 18 3.716 13.372 -6.842 1.00 0.00 C ATOM 229 O LYS A 18 3.781 12.519 -5.958 1.00 0.00 O ATOM 230 CB LYS A 18 3.988 15.852 -6.258 1.00 0.00 C ATOM 231 CG LYS A 18 4.914 16.556 -5.264 1.00 0.00 C ATOM 232 CD LYS A 18 4.888 15.860 -3.902 1.00 0.00 C ATOM 233 CE LYS A 18 3.755 16.406 -3.029 1.00 0.00 C ATOM 234 NZ LYS A 18 4.252 17.492 -2.155 1.00 0.00 N ATOM 0 H LYS A 18 4.817 15.688 -8.593 1.00 0.00 H new ATOM 0 HA LYS A 18 5.461 14.352 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.742 16.531 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.051 15.592 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.932 16.564 -5.653 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.608 17.596 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.760 14.786 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.843 16.005 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.949 16.779 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.338 15.604 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.471 17.851 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.006 17.125 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.629 18.264 -2.741 1.00 0.00 H new ATOM 248 N ALA A 19 2.873 13.331 -7.863 1.00 0.00 N ATOM 249 CA ALA A 19 1.933 12.234 -8.014 1.00 0.00 C ATOM 250 C ALA A 19 2.695 10.964 -8.400 1.00 0.00 C ATOM 251 O ALA A 19 2.608 9.950 -7.709 1.00 0.00 O ATOM 252 CB ALA A 19 0.869 12.611 -9.047 1.00 0.00 C ATOM 0 H ALA A 19 2.821 14.040 -8.594 1.00 0.00 H new ATOM 0 HA ALA A 19 1.419 12.038 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.164 11.788 -9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.337 13.501 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.348 12.813 -10.005 1.00 0.00 H new ATOM 258 N ARG A 20 3.425 11.062 -9.501 1.00 0.00 N ATOM 259 CA ARG A 20 4.202 9.934 -9.986 1.00 0.00 C ATOM 260 C ARG A 20 4.888 9.221 -8.819 1.00 0.00 C ATOM 261 O ARG A 20 4.663 8.033 -8.594 1.00 0.00 O ATOM 262 CB ARG A 20 5.262 10.387 -10.992 1.00 0.00 C ATOM 263 CG ARG A 20 5.078 9.683 -12.337 1.00 0.00 C ATOM 264 CD ARG A 20 6.289 9.908 -13.245 1.00 0.00 C ATOM 265 NE ARG A 20 5.997 9.416 -14.610 1.00 0.00 N ATOM 266 CZ ARG A 20 6.891 9.395 -15.608 1.00 0.00 C ATOM 267 NH1 ARG A 20 8.139 9.838 -15.399 1.00 0.00 N ATOM 268 NH2 ARG A 20 6.538 8.930 -16.814 1.00 0.00 N ATOM 0 H ARG A 20 3.495 11.905 -10.071 1.00 0.00 H new ATOM 0 HA ARG A 20 3.516 9.248 -10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.199 11.466 -11.131 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.256 10.174 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.934 8.615 -12.175 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.178 10.056 -12.826 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.537 10.969 -13.277 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.158 9.389 -12.841 1.00 0.00 H new ATOM 0 HE ARG A 20 5.057 9.071 -14.803 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.408 10.191 -14.481 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.820 9.822 -16.158 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.589 8.592 -16.972 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.219 8.914 -17.574 1.00 0.00 H new ATOM 282 N GLN A 21 5.712 9.976 -8.108 1.00 0.00 N ATOM 283 CA GLN A 21 6.433 9.431 -6.970 1.00 0.00 C ATOM 284 C GLN A 21 5.454 8.822 -5.964 1.00 0.00 C ATOM 285 O GLN A 21 5.503 7.623 -5.693 1.00 0.00 O ATOM 286 CB GLN A 21 7.303 10.502 -6.308 1.00 0.00 C ATOM 287 CG GLN A 21 8.494 10.866 -7.196 1.00 0.00 C ATOM 288 CD GLN A 21 9.574 11.595 -6.394 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.519 11.697 -5.179 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.556 12.095 -7.138 1.00 0.00 N ATOM 0 H GLN A 21 5.897 10.961 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 21 7.095 8.642 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.705 11.392 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.661 10.140 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.912 9.962 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.159 11.497 -8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.541 11.974 -8.151 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.324 12.600 -6.696 1.00 0.00 H new ATOM 299 N LEU A 22 4.587 9.675 -5.438 1.00 0.00 N ATOM 300 CA LEU A 22 3.599 9.236 -4.468 1.00 0.00 C ATOM 301 C LEU A 22 3.041 7.877 -4.895 1.00 0.00 C ATOM 302 O LEU A 22 3.087 6.915 -4.130 1.00 0.00 O ATOM 303 CB LEU A 22 2.524 10.308 -4.275 1.00 0.00 C ATOM 304 CG LEU A 22 2.920 11.505 -3.409 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.862 12.608 -3.481 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.199 11.072 -1.968 1.00 0.00 C ATOM 0 H LEU A 22 4.549 10.669 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 22 4.060 9.100 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.227 10.677 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.646 9.838 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 22 3.846 11.921 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.168 13.447 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.756 12.943 -4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.907 12.220 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.478 11.942 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.304 10.616 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.014 10.348 -1.957 1.00 0.00 H new ATOM 318 N ARG A 23 2.527 7.841 -6.116 1.00 0.00 N ATOM 319 CA ARG A 23 1.961 6.615 -6.654 1.00 0.00 C ATOM 320 C ARG A 23 2.882 5.430 -6.357 1.00 0.00 C ATOM 321 O ARG A 23 2.414 4.349 -6.002 1.00 0.00 O ATOM 322 CB ARG A 23 1.750 6.723 -8.165 1.00 0.00 C ATOM 323 CG ARG A 23 0.491 7.530 -8.488 1.00 0.00 C ATOM 324 CD ARG A 23 -0.281 6.901 -9.649 1.00 0.00 C ATOM 325 NE ARG A 23 0.352 7.269 -10.936 1.00 0.00 N ATOM 326 CZ ARG A 23 0.234 8.472 -11.514 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.493 9.430 -10.925 1.00 0.00 N ATOM 328 NH2 ARG A 23 0.843 8.716 -12.682 1.00 0.00 N ATOM 0 H ARG A 23 2.491 8.641 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 23 0.995 6.457 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.618 7.197 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.667 5.725 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.148 7.581 -7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.766 8.554 -8.742 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.299 5.817 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.317 7.240 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 23 0.913 6.563 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.957 9.244 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.583 10.346 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.396 7.986 -13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.753 9.632 -13.122 1.00 0.00 H new ATOM 342 N GLU A 24 4.175 5.673 -6.513 1.00 0.00 N ATOM 343 CA GLU A 24 5.166 4.640 -6.267 1.00 0.00 C ATOM 344 C GLU A 24 5.237 4.318 -4.772 1.00 0.00 C ATOM 345 O GLU A 24 5.253 3.151 -4.385 1.00 0.00 O ATOM 346 CB GLU A 24 6.537 5.055 -6.804 1.00 0.00 C ATOM 347 CG GLU A 24 6.427 5.591 -8.232 1.00 0.00 C ATOM 348 CD GLU A 24 7.627 5.156 -9.076 1.00 0.00 C ATOM 349 OE1 GLU A 24 8.709 5.746 -8.869 1.00 0.00 O ATOM 350 OE2 GLU A 24 7.434 4.244 -9.908 1.00 0.00 O ATOM 0 H GLU A 24 4.559 6.571 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 24 4.862 3.739 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.969 5.819 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.213 4.200 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.506 5.230 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.367 6.679 -8.212 1.00 0.00 H new ATOM 357 N GLN A 25 5.277 5.374 -3.974 1.00 0.00 N ATOM 358 CA GLN A 25 5.346 5.219 -2.531 1.00 0.00 C ATOM 359 C GLN A 25 4.142 4.421 -2.025 1.00 0.00 C ATOM 360 O GLN A 25 4.304 3.441 -1.298 1.00 0.00 O ATOM 361 CB GLN A 25 5.432 6.580 -1.836 1.00 0.00 C ATOM 362 CG GLN A 25 6.889 7.006 -1.645 1.00 0.00 C ATOM 363 CD GLN A 25 7.011 8.063 -0.545 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.526 9.150 -0.748 1.00 0.00 O ATOM 365 NE2 GLN A 25 6.509 7.684 0.627 1.00 0.00 N ATOM 0 H GLN A 25 5.263 6.341 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 25 6.253 4.666 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.905 7.329 -2.428 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.934 6.530 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.495 6.137 -1.388 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.281 7.403 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.092 6.759 0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.541 8.319 1.425 1.00 0.00 H new ATOM 374 N VAL A 26 2.963 4.869 -2.428 1.00 0.00 N ATOM 375 CA VAL A 26 1.733 4.209 -2.025 1.00 0.00 C ATOM 376 C VAL A 26 1.771 2.748 -2.478 1.00 0.00 C ATOM 377 O VAL A 26 1.627 1.838 -1.663 1.00 0.00 O ATOM 378 CB VAL A 26 0.525 4.973 -2.572 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.772 4.206 -2.311 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.457 6.384 -1.984 1.00 0.00 C ATOM 0 H VAL A 26 2.833 5.682 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 26 1.637 4.211 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 26 0.647 5.066 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.615 4.771 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.724 3.233 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.903 4.067 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.410 6.906 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.369 6.322 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.363 6.931 -2.244 1.00 0.00 H new ATOM 390 N ASN A 27 1.967 2.569 -3.776 1.00 0.00 N ATOM 391 CA ASN A 27 2.026 1.234 -4.347 1.00 0.00 C ATOM 392 C ASN A 27 2.976 0.370 -3.515 1.00 0.00 C ATOM 393 O ASN A 27 2.545 -0.576 -2.857 1.00 0.00 O ATOM 394 CB ASN A 27 2.556 1.272 -5.782 1.00 0.00 C ATOM 395 CG ASN A 27 2.686 -0.140 -6.355 1.00 0.00 C ATOM 396 OD1 ASN A 27 1.835 -0.624 -7.083 1.00 0.00 O ATOM 397 ND2 ASN A 27 3.797 -0.773 -5.988 1.00 0.00 N ATOM 0 H ASN A 27 2.087 3.326 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 27 1.017 0.822 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.884 1.861 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.527 1.767 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.977 -1.721 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.469 -0.310 -5.376 1.00 0.00 H new ATOM 404 N ASP A 28 4.251 0.726 -3.571 1.00 0.00 N ATOM 405 CA ASP A 28 5.265 -0.005 -2.830 1.00 0.00 C ATOM 406 C ASP A 28 4.807 -0.178 -1.381 1.00 0.00 C ATOM 407 O ASP A 28 4.812 -1.289 -0.853 1.00 0.00 O ATOM 408 CB ASP A 28 6.593 0.755 -2.819 1.00 0.00 C ATOM 409 CG ASP A 28 7.831 -0.102 -3.092 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.147 -0.938 -2.218 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.433 0.097 -4.169 1.00 0.00 O ATOM 0 H ASP A 28 4.605 1.511 -4.118 1.00 0.00 H new ATOM 0 HA ASP A 28 5.406 -0.971 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.547 1.548 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.710 1.237 -1.849 1.00 0.00 H new ATOM 416 N LEU A 29 4.421 0.937 -0.779 1.00 0.00 N ATOM 417 CA LEU A 29 3.961 0.923 0.600 1.00 0.00 C ATOM 418 C LEU A 29 3.084 -0.310 0.827 1.00 0.00 C ATOM 419 O LEU A 29 3.462 -1.218 1.565 1.00 0.00 O ATOM 420 CB LEU A 29 3.270 2.243 0.948 1.00 0.00 C ATOM 421 CG LEU A 29 2.251 2.186 2.088 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.940 1.910 3.425 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.405 3.460 2.131 1.00 0.00 C ATOM 0 H LEU A 29 4.417 1.856 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 29 4.806 0.844 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.036 2.974 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.766 2.613 0.055 1.00 0.00 H new ATOM 0 HG LEU A 29 1.572 1.355 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.194 1.874 4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.462 0.954 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.656 2.704 3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.689 3.394 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.054 4.322 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.869 3.573 1.189 1.00 0.00 H new ATOM 435 N PHE A 30 1.928 -0.302 0.178 1.00 0.00 N ATOM 436 CA PHE A 30 0.994 -1.407 0.300 1.00 0.00 C ATOM 437 C PHE A 30 1.679 -2.741 -0.008 1.00 0.00 C ATOM 438 O PHE A 30 1.576 -3.689 0.768 1.00 0.00 O ATOM 439 CB PHE A 30 -0.117 -1.170 -0.725 1.00 0.00 C ATOM 440 CG PHE A 30 -1.068 -0.029 -0.359 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.478 0.127 0.929 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.505 0.827 -1.320 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.361 1.186 1.269 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.389 1.886 -0.980 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.798 2.043 0.308 1.00 0.00 C ATOM 0 H PHE A 30 1.618 0.453 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 30 0.606 -1.454 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.336 -0.956 -1.693 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.694 -2.088 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.132 -0.554 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.180 0.702 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.686 1.311 2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.736 2.566 -1.744 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.470 2.848 0.567 1.00 0.00 H new ATOM 455 N SER A 31 2.363 -2.770 -1.142 1.00 0.00 N ATOM 456 CA SER A 31 3.065 -3.971 -1.562 1.00 0.00 C ATOM 457 C SER A 31 3.937 -4.494 -0.419 1.00 0.00 C ATOM 458 O SER A 31 3.858 -5.668 -0.059 1.00 0.00 O ATOM 459 CB SER A 31 3.920 -3.704 -2.802 1.00 0.00 C ATOM 460 OG SER A 31 3.335 -2.721 -3.652 1.00 0.00 O ATOM 0 H SER A 31 2.446 -1.981 -1.783 1.00 0.00 H new ATOM 0 HA SER A 31 2.324 -4.727 -1.821 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.912 -3.373 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.052 -4.632 -3.358 1.00 0.00 H new ATOM 0 HG SER A 31 3.423 -1.837 -3.238 1.00 0.00 H new ATOM 466 N ARG A 32 4.750 -3.597 0.121 1.00 0.00 N ATOM 467 CA ARG A 32 5.636 -3.954 1.217 1.00 0.00 C ATOM 468 C ARG A 32 4.824 -4.438 2.420 1.00 0.00 C ATOM 469 O ARG A 32 4.892 -5.610 2.787 1.00 0.00 O ATOM 470 CB ARG A 32 6.498 -2.762 1.638 1.00 0.00 C ATOM 471 CG ARG A 32 7.983 -3.052 1.410 1.00 0.00 C ATOM 472 CD ARG A 32 8.799 -1.758 1.399 1.00 0.00 C ATOM 473 NE ARG A 32 10.079 -1.972 0.688 1.00 0.00 N ATOM 474 CZ ARG A 32 11.182 -2.473 1.262 1.00 0.00 C ATOM 475 NH1 ARG A 32 11.168 -2.813 2.558 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.299 -2.633 0.539 1.00 0.00 N ATOM 0 H ARG A 32 4.814 -2.624 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 32 6.288 -4.755 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.205 -1.878 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.325 -2.537 2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.353 -3.713 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.114 -3.577 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.232 -0.965 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.992 -1.431 2.421 1.00 0.00 H new ATOM 0 HE ARG A 32 10.125 -1.723 -0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.318 -2.691 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.007 -3.194 2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.310 -2.374 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.139 -3.014 0.975 1.00 0.00 H new ATOM 490 N LYS A 33 4.076 -3.511 3.000 1.00 0.00 N ATOM 491 CA LYS A 33 3.252 -3.829 4.154 1.00 0.00 C ATOM 492 C LYS A 33 2.555 -5.171 3.923 1.00 0.00 C ATOM 493 O LYS A 33 2.672 -6.084 4.740 1.00 0.00 O ATOM 494 CB LYS A 33 2.288 -2.680 4.457 1.00 0.00 C ATOM 495 CG LYS A 33 3.044 -1.452 4.971 1.00 0.00 C ATOM 496 CD LYS A 33 3.412 -1.613 6.447 1.00 0.00 C ATOM 497 CE LYS A 33 4.314 -0.470 6.915 1.00 0.00 C ATOM 498 NZ LYS A 33 5.146 -0.901 8.060 1.00 0.00 N ATOM 0 H LYS A 33 4.023 -2.540 2.693 1.00 0.00 H new ATOM 0 HA LYS A 33 3.870 -3.939 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.733 -2.419 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.558 -3.000 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.949 -1.304 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.429 -0.561 4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.505 -1.636 7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.919 -2.566 6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.954 -0.145 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.705 0.387 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.752 -0.113 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.531 -1.189 8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.741 -1.705 7.774 1.00 0.00 H new ATOM 512 N PHE A 34 1.844 -5.249 2.808 1.00 0.00 N ATOM 513 CA PHE A 34 1.128 -6.465 2.460 1.00 0.00 C ATOM 514 C PHE A 34 1.974 -7.704 2.759 1.00 0.00 C ATOM 515 O PHE A 34 1.471 -8.689 3.297 1.00 0.00 O ATOM 516 CB PHE A 34 0.848 -6.404 0.957 1.00 0.00 C ATOM 517 CG PHE A 34 0.231 -7.683 0.387 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.858 -8.238 0.984 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.771 -8.265 -0.717 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.430 -9.425 0.455 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.199 -9.452 -1.246 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.889 -10.007 -0.649 1.00 0.00 C ATOM 0 H PHE A 34 1.748 -4.490 2.133 1.00 0.00 H new ATOM 0 HA PHE A 34 0.210 -6.536 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.177 -5.568 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.781 -6.197 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.288 -7.776 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.635 -7.824 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.295 -9.866 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.628 -9.914 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.324 -10.910 -1.051 1.00 0.00 H new ATOM 532 N GLY A 35 3.246 -7.615 2.396 1.00 0.00 N ATOM 533 CA GLY A 35 4.166 -8.717 2.619 1.00 0.00 C ATOM 534 C GLY A 35 3.975 -9.318 4.013 1.00 0.00 C ATOM 535 O GLY A 35 3.941 -10.538 4.167 1.00 0.00 O ATOM 0 H GLY A 35 3.660 -6.797 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.008 -9.486 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.192 -8.367 2.508 1.00 0.00 H new ATOM 539 N GLU A 36 3.854 -8.434 4.992 1.00 0.00 N ATOM 540 CA GLU A 36 3.667 -8.863 6.368 1.00 0.00 C ATOM 541 C GLU A 36 2.474 -9.815 6.470 1.00 0.00 C ATOM 542 O GLU A 36 2.564 -10.863 7.107 1.00 0.00 O ATOM 543 CB GLU A 36 3.490 -7.660 7.298 1.00 0.00 C ATOM 544 CG GLU A 36 4.581 -6.615 7.056 1.00 0.00 C ATOM 545 CD GLU A 36 4.808 -5.760 8.304 1.00 0.00 C ATOM 546 OE1 GLU A 36 4.030 -4.798 8.482 1.00 0.00 O ATOM 547 OE2 GLU A 36 5.754 -6.088 9.053 1.00 0.00 O ATOM 0 H GLU A 36 3.882 -7.423 4.860 1.00 0.00 H new ATOM 0 HA GLU A 36 4.562 -9.398 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.510 -7.212 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.522 -7.991 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.510 -7.112 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.298 -5.976 6.220 1.00 0.00 H new ATOM 554 N ALA A 37 1.383 -9.415 5.832 1.00 0.00 N ATOM 555 CA ALA A 37 0.173 -10.220 5.843 1.00 0.00 C ATOM 556 C ALA A 37 0.478 -11.599 5.256 1.00 0.00 C ATOM 557 O ALA A 37 -0.291 -12.541 5.444 1.00 0.00 O ATOM 558 CB ALA A 37 -0.932 -9.491 5.076 1.00 0.00 C ATOM 0 H ALA A 37 1.312 -8.545 5.305 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.181 -10.367 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.840 -10.095 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.131 -8.530 5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.614 -9.328 4.046 1.00 0.00 H new ATOM 564 N ILE A 38 1.601 -11.675 4.557 1.00 0.00 N ATOM 565 CA ILE A 38 2.017 -12.924 3.942 1.00 0.00 C ATOM 566 C ILE A 38 3.390 -13.322 4.485 1.00 0.00 C ATOM 567 O ILE A 38 4.055 -14.192 3.924 1.00 0.00 O ATOM 568 CB ILE A 38 1.966 -12.812 2.417 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.516 -11.464 1.947 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.551 -13.067 1.894 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.303 -11.278 0.444 1.00 0.00 C ATOM 0 H ILE A 38 2.236 -10.892 4.403 1.00 0.00 H new ATOM 0 HA ILE A 38 1.327 -13.727 4.203 1.00 0.00 H new ATOM 0 HB ILE A 38 2.608 -13.586 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.024 -10.657 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.579 -11.401 2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.544 -12.981 0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.232 -14.069 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.132 -12.333 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.703 -10.312 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.817 -12.072 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.237 -11.317 0.220 1.00 0.00 H new ATOM 583 N GLY A 39 3.776 -12.666 5.569 1.00 0.00 N ATOM 584 CA GLY A 39 5.059 -12.941 6.194 1.00 0.00 C ATOM 585 C GLY A 39 6.187 -12.919 5.161 1.00 0.00 C ATOM 586 O GLY A 39 7.255 -13.485 5.391 1.00 0.00 O ATOM 0 H GLY A 39 3.223 -11.944 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.256 -12.201 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.028 -13.914 6.684 1.00 0.00 H new ATOM 590 N MET A 40 5.913 -12.259 4.046 1.00 0.00 N ATOM 591 CA MET A 40 6.892 -12.156 2.977 1.00 0.00 C ATOM 592 C MET A 40 7.971 -11.127 3.320 1.00 0.00 C ATOM 593 O MET A 40 7.680 -10.093 3.918 1.00 0.00 O ATOM 594 CB MET A 40 6.190 -11.747 1.680 1.00 0.00 C ATOM 595 CG MET A 40 5.228 -12.839 1.209 1.00 0.00 C ATOM 596 SD MET A 40 6.143 -14.186 0.479 1.00 0.00 S ATOM 597 CE MET A 40 5.368 -14.252 -1.128 1.00 0.00 C ATOM 0 H MET A 40 5.027 -11.790 3.859 1.00 0.00 H new ATOM 0 HA MET A 40 7.370 -13.128 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.642 -10.818 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.933 -11.553 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.638 -13.203 2.050 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.527 -12.429 0.482 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.077 -14.642 -1.858 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.496 -14.905 -1.085 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.057 -13.250 -1.423 1.00 0.00 H new ATOM 607 N GLY A 41 9.195 -11.447 2.925 1.00 0.00 N ATOM 608 CA GLY A 41 10.319 -10.564 3.183 1.00 0.00 C ATOM 609 C GLY A 41 10.512 -9.572 2.034 1.00 0.00 C ATOM 610 O GLY A 41 11.614 -9.067 1.824 1.00 0.00 O ATOM 0 H GLY A 41 9.432 -12.306 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.153 -10.021 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.226 -11.153 3.316 1.00 0.00 H new ATOM 614 N PHE A 42 9.424 -9.323 1.321 1.00 0.00 N ATOM 615 CA PHE A 42 9.460 -8.400 0.199 1.00 0.00 C ATOM 616 C PHE A 42 8.053 -7.915 -0.156 1.00 0.00 C ATOM 617 O PHE A 42 7.062 -8.518 0.252 1.00 0.00 O ATOM 618 CB PHE A 42 10.038 -9.167 -0.992 1.00 0.00 C ATOM 619 CG PHE A 42 9.488 -10.587 -1.144 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.156 -10.783 -1.336 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.331 -11.652 -1.088 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.646 -12.101 -1.477 1.00 0.00 C ATOM 623 CE2 PHE A 42 9.821 -12.970 -1.229 1.00 0.00 C ATOM 624 CZ PHE A 42 8.489 -13.166 -1.421 1.00 0.00 C ATOM 0 H PHE A 42 8.512 -9.744 1.498 1.00 0.00 H new ATOM 0 HA PHE A 42 10.063 -7.528 0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.832 -8.609 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.122 -9.217 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.486 -9.937 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.389 -11.496 -0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.588 -12.257 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.491 -13.816 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.101 -14.168 -1.529 1.00 0.00 H new ATOM 634 N PRO A 43 8.009 -6.799 -0.934 1.00 0.00 N ATOM 635 CA PRO A 43 6.741 -6.226 -1.349 1.00 0.00 C ATOM 636 C PRO A 43 6.095 -7.064 -2.454 1.00 0.00 C ATOM 637 O PRO A 43 6.694 -7.273 -3.509 1.00 0.00 O ATOM 638 CB PRO A 43 7.075 -4.811 -1.794 1.00 0.00 C ATOM 639 CG PRO A 43 8.573 -4.799 -2.051 1.00 0.00 C ATOM 640 CD PRO A 43 9.162 -6.058 -1.436 1.00 0.00 C ATOM 0 HA PRO A 43 6.003 -6.213 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.522 -4.544 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.804 -4.086 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.776 -4.766 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.028 -3.911 -1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.715 -6.638 -2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.859 -5.818 -0.633 1.00 0.00 H new ATOM 648 N VAL A 44 4.884 -7.521 -2.176 1.00 0.00 N ATOM 649 CA VAL A 44 4.151 -8.331 -3.134 1.00 0.00 C ATOM 650 C VAL A 44 3.035 -7.491 -3.758 1.00 0.00 C ATOM 651 O VAL A 44 2.670 -6.444 -3.226 1.00 0.00 O ATOM 652 CB VAL A 44 3.635 -9.603 -2.457 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.045 -10.570 -3.485 1.00 0.00 C ATOM 654 CG2 VAL A 44 4.740 -10.276 -1.641 1.00 0.00 C ATOM 0 H VAL A 44 4.391 -7.346 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 44 4.807 -8.652 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 44 2.838 -9.318 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.686 -11.465 -2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.215 -10.089 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.813 -10.846 -4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.347 -11.177 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.568 -10.541 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.094 -9.590 -0.872 1.00 0.00 H new ATOM 664 N LYS A 45 2.523 -7.983 -4.877 1.00 0.00 N ATOM 665 CA LYS A 45 1.456 -7.290 -5.579 1.00 0.00 C ATOM 666 C LYS A 45 0.239 -7.172 -4.659 1.00 0.00 C ATOM 667 O LYS A 45 -0.068 -8.097 -3.908 1.00 0.00 O ATOM 668 CB LYS A 45 1.155 -7.980 -6.911 1.00 0.00 C ATOM 669 CG LYS A 45 0.423 -9.305 -6.690 1.00 0.00 C ATOM 670 CD LYS A 45 -0.324 -9.736 -7.954 1.00 0.00 C ATOM 671 CE LYS A 45 -0.338 -11.260 -8.089 1.00 0.00 C ATOM 672 NZ LYS A 45 0.889 -11.731 -8.770 1.00 0.00 N ATOM 0 H LYS A 45 2.827 -8.853 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 45 1.763 -6.276 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.547 -7.325 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.085 -8.160 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.138 -10.077 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.281 -9.202 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.347 -9.361 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.151 -9.294 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.412 -11.718 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.217 -11.573 -8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.864 -12.767 -8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.943 -11.308 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.723 -11.449 -8.217 1.00 0.00 H new ATOM 686 N VAL A 46 -0.422 -6.027 -4.748 1.00 0.00 N ATOM 687 CA VAL A 46 -1.599 -5.777 -3.933 1.00 0.00 C ATOM 688 C VAL A 46 -2.837 -5.741 -4.831 1.00 0.00 C ATOM 689 O VAL A 46 -3.066 -4.762 -5.540 1.00 0.00 O ATOM 690 CB VAL A 46 -1.410 -4.493 -3.123 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.674 -4.155 -2.330 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.196 -4.602 -2.198 1.00 0.00 C ATOM 0 H VAL A 46 -0.165 -5.262 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.744 -6.582 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.225 -3.679 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.513 -3.238 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.508 -4.015 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.902 -4.971 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.084 -3.676 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.338 -5.433 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.701 -4.775 -2.793 1.00 0.00 H new ATOM 702 N PRO A 47 -3.623 -6.848 -4.771 1.00 0.00 N ATOM 703 CA PRO A 47 -4.833 -6.952 -5.570 1.00 0.00 C ATOM 704 C PRO A 47 -5.950 -6.084 -4.988 1.00 0.00 C ATOM 705 O PRO A 47 -6.894 -6.600 -4.389 1.00 0.00 O ATOM 706 CB PRO A 47 -5.173 -8.434 -5.577 1.00 0.00 C ATOM 707 CG PRO A 47 -4.416 -9.041 -4.407 1.00 0.00 C ATOM 708 CD PRO A 47 -3.383 -8.027 -3.943 1.00 0.00 C ATOM 0 HA PRO A 47 -4.699 -6.583 -6.587 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.247 -8.589 -5.470 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.876 -8.898 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.101 -9.287 -3.595 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.931 -9.970 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.501 -7.798 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.369 -8.405 -4.076 1.00 0.00 H new ATOM 716 N TYR A 48 -5.808 -4.782 -5.184 1.00 0.00 N ATOM 717 CA TYR A 48 -6.794 -3.838 -4.686 1.00 0.00 C ATOM 718 C TYR A 48 -8.207 -4.248 -5.106 1.00 0.00 C ATOM 719 O TYR A 48 -9.156 -4.086 -4.341 1.00 0.00 O ATOM 720 CB TYR A 48 -6.453 -2.493 -5.332 1.00 0.00 C ATOM 721 CG TYR A 48 -5.028 -2.012 -5.052 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.676 -1.597 -3.784 1.00 0.00 C ATOM 723 CD2 TYR A 48 -4.095 -1.992 -6.069 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.335 -1.144 -3.521 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.753 -1.539 -5.806 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.439 -1.137 -4.545 1.00 0.00 C ATOM 727 OH TYR A 48 -1.173 -0.709 -4.296 1.00 0.00 O ATOM 0 H TYR A 48 -5.025 -4.358 -5.681 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.771 -3.797 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.593 -2.573 -6.410 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.156 -1.741 -4.974 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.407 -1.612 -2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.371 -2.316 -7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.047 -0.817 -2.533 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.013 -1.519 -6.592 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.643 -0.760 -5.119 1.00 0.00 H new ATOM 737 N ARG A 49 -8.300 -4.772 -6.319 1.00 0.00 N ATOM 738 CA ARG A 49 -9.581 -5.207 -6.850 1.00 0.00 C ATOM 739 C ARG A 49 -10.232 -6.218 -5.903 1.00 0.00 C ATOM 740 O ARG A 49 -11.283 -5.946 -5.326 1.00 0.00 O ATOM 741 CB ARG A 49 -9.418 -5.843 -8.231 1.00 0.00 C ATOM 742 CG ARG A 49 -10.769 -6.293 -8.791 1.00 0.00 C ATOM 743 CD ARG A 49 -11.243 -5.353 -9.902 1.00 0.00 C ATOM 744 NE ARG A 49 -12.564 -5.789 -10.405 1.00 0.00 N ATOM 745 CZ ARG A 49 -13.414 -4.996 -11.071 1.00 0.00 C ATOM 746 NH1 ARG A 49 -13.086 -3.720 -11.317 1.00 0.00 N ATOM 747 NH2 ARG A 49 -14.592 -5.478 -11.490 1.00 0.00 N ATOM 0 H ARG A 49 -7.509 -4.905 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.218 -4.327 -6.942 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.958 -5.128 -8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.745 -6.698 -8.164 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.686 -7.308 -9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.508 -6.318 -7.991 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.308 -4.333 -9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.519 -5.345 -10.717 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.846 -6.754 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.190 -3.353 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.733 -3.116 -11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.842 -6.449 -11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.239 -4.874 -11.997 1.00 0.00 H new ATOM 761 N LYS A 50 -9.579 -7.364 -5.774 1.00 0.00 N ATOM 762 CA LYS A 50 -10.081 -8.417 -4.908 1.00 0.00 C ATOM 763 C LYS A 50 -10.489 -7.814 -3.562 1.00 0.00 C ATOM 764 O LYS A 50 -11.607 -8.028 -3.095 1.00 0.00 O ATOM 765 CB LYS A 50 -9.057 -9.547 -4.790 1.00 0.00 C ATOM 766 CG LYS A 50 -8.777 -10.179 -6.155 1.00 0.00 C ATOM 767 CD LYS A 50 -8.647 -11.699 -6.039 1.00 0.00 C ATOM 768 CE LYS A 50 -10.023 -12.368 -6.029 1.00 0.00 C ATOM 769 NZ LYS A 50 -10.161 -13.288 -7.180 1.00 0.00 N ATOM 0 H LYS A 50 -8.707 -7.586 -6.255 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.974 -8.870 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.130 -9.160 -4.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.427 -10.307 -4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.582 -9.931 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.860 -9.763 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.059 -12.082 -6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.109 -11.953 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.160 -12.918 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.804 -11.608 -6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.101 -13.733 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.052 -12.754 -8.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.428 -14.024 -7.126 1.00 0.00 H new ATOM 783 N ILE A 51 -9.561 -7.071 -2.977 1.00 0.00 N ATOM 784 CA ILE A 51 -9.810 -6.435 -1.694 1.00 0.00 C ATOM 785 C ILE A 51 -11.036 -5.527 -1.810 1.00 0.00 C ATOM 786 O ILE A 51 -11.752 -5.318 -0.832 1.00 0.00 O ATOM 787 CB ILE A 51 -8.554 -5.714 -1.201 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.613 -6.681 -0.481 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.919 -4.512 -0.328 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.197 -6.597 -1.055 1.00 0.00 C ATOM 0 H ILE A 51 -8.635 -6.895 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.038 -7.183 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.018 -5.330 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.592 -6.449 0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.989 -7.700 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.008 -4.017 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.520 -3.811 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.490 -4.850 0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.548 -7.294 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.218 -6.853 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.815 -5.583 -0.935 1.00 0.00 H new ATOM 802 N THR A 52 -11.240 -5.012 -3.013 1.00 0.00 N ATOM 803 CA THR A 52 -12.366 -4.131 -3.269 1.00 0.00 C ATOM 804 C THR A 52 -13.670 -4.931 -3.313 1.00 0.00 C ATOM 805 O THR A 52 -14.532 -4.768 -2.450 1.00 0.00 O ATOM 806 CB THR A 52 -12.082 -3.362 -4.561 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.944 -2.009 -4.136 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.287 -3.335 -5.504 1.00 0.00 C ATOM 0 H THR A 52 -10.644 -5.188 -3.822 1.00 0.00 H new ATOM 0 HA THR A 52 -12.492 -3.407 -2.464 1.00 0.00 H new ATOM 0 HB THR A 52 -11.231 -3.813 -5.072 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.756 -1.440 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.032 -2.777 -6.405 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.561 -4.355 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.128 -2.854 -5.006 1.00 0.00 H new ATOM 816 N ILE A 53 -13.772 -5.779 -4.325 1.00 0.00 N ATOM 817 CA ILE A 53 -14.956 -6.605 -4.493 1.00 0.00 C ATOM 818 C ILE A 53 -15.304 -7.267 -3.158 1.00 0.00 C ATOM 819 O ILE A 53 -16.477 -7.466 -2.847 1.00 0.00 O ATOM 820 CB ILE A 53 -14.758 -7.599 -5.639 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.504 -8.448 -5.417 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.733 -6.882 -6.990 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.131 -9.217 -6.687 1.00 0.00 C ATOM 0 H ILE A 53 -13.054 -5.912 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.811 -5.992 -4.778 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.610 -8.279 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.674 -7.807 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.675 -9.149 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.591 -7.612 -7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.677 -6.358 -7.142 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.913 -6.164 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.237 -9.812 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -13.953 -9.875 -6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.937 -8.512 -7.495 1.00 0.00 H new ATOM 835 N ASN A 54 -14.263 -7.588 -2.404 1.00 0.00 N ATOM 836 CA ASN A 54 -14.444 -8.223 -1.110 1.00 0.00 C ATOM 837 C ASN A 54 -13.078 -8.418 -0.447 1.00 0.00 C ATOM 838 O ASN A 54 -12.197 -9.063 -1.011 1.00 0.00 O ATOM 839 CB ASN A 54 -15.098 -9.598 -1.257 1.00 0.00 C ATOM 840 CG ASN A 54 -14.107 -10.619 -1.821 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.292 -11.188 -1.113 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.223 -10.819 -3.131 1.00 0.00 N ATOM 0 H ASN A 54 -13.291 -7.420 -2.665 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.086 -7.581 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.462 -9.937 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -15.964 -9.524 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.608 -11.482 -3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.927 -10.309 -3.664 1.00 0.00 H new ATOM 849 N PRO A 55 -12.943 -7.832 0.773 1.00 0.00 N ATOM 850 CA PRO A 55 -11.701 -7.935 1.519 1.00 0.00 C ATOM 851 C PRO A 55 -11.542 -9.328 2.132 1.00 0.00 C ATOM 852 O PRO A 55 -10.423 -9.789 2.354 1.00 0.00 O ATOM 853 CB PRO A 55 -11.776 -6.833 2.563 1.00 0.00 C ATOM 854 CG PRO A 55 -13.245 -6.457 2.667 1.00 0.00 C ATOM 855 CD PRO A 55 -13.966 -7.060 1.473 1.00 0.00 C ATOM 0 HA PRO A 55 -10.821 -7.809 0.888 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.392 -7.178 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.173 -5.974 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.670 -6.831 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.362 -5.373 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.794 -7.695 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.386 -6.285 0.831 1.00 0.00 H new ATOM 863 N GLY A 56 -12.678 -9.960 2.386 1.00 0.00 N ATOM 864 CA GLY A 56 -12.680 -11.292 2.969 1.00 0.00 C ATOM 865 C GLY A 56 -11.296 -11.936 2.866 1.00 0.00 C ATOM 866 O GLY A 56 -10.660 -12.215 3.882 1.00 0.00 O ATOM 0 H GLY A 56 -13.604 -9.575 2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.982 -11.235 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.414 -11.915 2.459 1.00 0.00 H new ATOM 870 N CYS A 57 -10.870 -12.155 1.631 1.00 0.00 N ATOM 871 CA CYS A 57 -9.573 -12.761 1.382 1.00 0.00 C ATOM 872 C CYS A 57 -8.512 -11.947 2.124 1.00 0.00 C ATOM 873 O CYS A 57 -8.030 -12.362 3.178 1.00 0.00 O ATOM 874 CB CYS A 57 -9.273 -12.861 -0.115 1.00 0.00 C ATOM 875 SG CYS A 57 -10.622 -13.759 -0.965 1.00 0.00 S ATOM 0 H CYS A 57 -11.400 -11.923 0.791 1.00 0.00 H new ATOM 0 HA CYS A 57 -9.570 -13.785 1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.165 -11.863 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.326 -13.378 -0.271 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.765 -13.411 -0.453 1.00 0.00 H new ATOM 881 N VAL A 58 -8.178 -10.803 1.546 1.00 0.00 N ATOM 882 CA VAL A 58 -7.183 -9.926 2.139 1.00 0.00 C ATOM 883 C VAL A 58 -7.858 -8.634 2.602 1.00 0.00 C ATOM 884 O VAL A 58 -8.588 -8.003 1.839 1.00 0.00 O ATOM 885 CB VAL A 58 -6.042 -9.684 1.149 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.217 -8.460 1.552 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.156 -10.924 1.018 1.00 0.00 C ATOM 0 H VAL A 58 -8.579 -10.463 0.672 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.739 -10.392 3.018 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.483 -9.484 0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.413 -8.310 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.858 -7.579 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.792 -8.618 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.353 -10.724 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.728 -11.170 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.754 -11.763 0.662 1.00 0.00 H new ATOM 897 N VAL A 59 -7.590 -8.278 3.850 1.00 0.00 N ATOM 898 CA VAL A 59 -8.163 -7.072 4.423 1.00 0.00 C ATOM 899 C VAL A 59 -7.082 -5.993 4.516 1.00 0.00 C ATOM 900 O VAL A 59 -5.892 -6.291 4.418 1.00 0.00 O ATOM 901 CB VAL A 59 -8.808 -7.390 5.774 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.457 -6.143 6.378 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.822 -8.528 5.642 1.00 0.00 C ATOM 0 H VAL A 59 -6.984 -8.803 4.480 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.955 -6.684 3.783 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.021 -7.720 6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.908 -6.396 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.699 -5.373 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.227 -5.770 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.266 -8.735 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.604 -8.239 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.319 -9.423 5.275 1.00 0.00 H new ATOM 913 N VAL A 60 -7.533 -4.762 4.704 1.00 0.00 N ATOM 914 CA VAL A 60 -6.619 -3.637 4.811 1.00 0.00 C ATOM 915 C VAL A 60 -7.068 -2.728 5.957 1.00 0.00 C ATOM 916 O VAL A 60 -8.203 -2.254 5.969 1.00 0.00 O ATOM 917 CB VAL A 60 -6.528 -2.908 3.470 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.774 -1.584 3.616 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.878 -3.795 2.406 1.00 0.00 C ATOM 0 H VAL A 60 -8.520 -4.518 4.785 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.613 -3.983 5.046 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.543 -2.682 3.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.723 -1.085 2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.297 -0.944 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.764 -1.778 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.826 -3.252 1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.872 -4.067 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.473 -4.698 2.272 1.00 0.00 H new ATOM 929 N ASP A 61 -6.155 -2.513 6.892 1.00 0.00 N ATOM 930 CA ASP A 61 -6.442 -1.670 8.040 1.00 0.00 C ATOM 931 C ASP A 61 -5.419 -0.534 8.101 1.00 0.00 C ATOM 932 O ASP A 61 -4.488 -0.488 7.299 1.00 0.00 O ATOM 933 CB ASP A 61 -6.347 -2.463 9.344 1.00 0.00 C ATOM 934 CG ASP A 61 -7.641 -3.158 9.775 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.160 -3.948 8.957 1.00 0.00 O ATOM 936 OD2 ASP A 61 -8.081 -2.883 10.912 1.00 0.00 O ATOM 0 H ASP A 61 -5.215 -2.908 6.878 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.454 -1.281 7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.566 -3.216 9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.032 -1.788 10.140 1.00 0.00 H new ATOM 941 N GLY A 62 -5.627 0.356 9.061 1.00 0.00 N ATOM 942 CA GLY A 62 -4.735 1.489 9.238 1.00 0.00 C ATOM 943 C GLY A 62 -5.194 2.684 8.400 1.00 0.00 C ATOM 944 O GLY A 62 -4.838 3.825 8.692 1.00 0.00 O ATOM 0 H GLY A 62 -6.401 0.315 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.702 1.770 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.722 1.207 8.952 1.00 0.00 H new ATOM 948 N MET A 63 -5.977 2.382 7.375 1.00 0.00 N ATOM 949 CA MET A 63 -6.489 3.418 6.494 1.00 0.00 C ATOM 950 C MET A 63 -6.889 4.664 7.286 1.00 0.00 C ATOM 951 O MET A 63 -7.403 4.558 8.398 1.00 0.00 O ATOM 952 CB MET A 63 -7.703 2.885 5.731 1.00 0.00 C ATOM 953 CG MET A 63 -7.299 2.371 4.347 1.00 0.00 C ATOM 954 SD MET A 63 -7.856 3.507 3.088 1.00 0.00 S ATOM 955 CE MET A 63 -6.354 3.677 2.138 1.00 0.00 C ATOM 0 H MET A 63 -6.269 1.435 7.135 1.00 0.00 H new ATOM 0 HA MET A 63 -5.701 3.695 5.793 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.170 2.081 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.447 3.675 5.627 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.216 2.258 4.294 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.731 1.385 4.176 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.515 4.386 1.326 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.554 4.041 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.074 2.708 1.724 1.00 0.00 H new ATOM 965 N PRO A 64 -6.633 5.847 6.665 1.00 0.00 N ATOM 966 CA PRO A 64 -6.961 7.111 7.300 1.00 0.00 C ATOM 967 C PRO A 64 -8.468 7.374 7.253 1.00 0.00 C ATOM 968 O PRO A 64 -9.204 6.667 6.566 1.00 0.00 O ATOM 969 CB PRO A 64 -6.153 8.153 6.543 1.00 0.00 C ATOM 970 CG PRO A 64 -5.765 7.503 5.225 1.00 0.00 C ATOM 971 CD PRO A 64 -6.026 6.010 5.348 1.00 0.00 C ATOM 0 HA PRO A 64 -6.711 7.126 8.361 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.740 9.056 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.269 8.448 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.346 7.926 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.715 7.690 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.691 5.658 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.102 5.438 5.264 1.00 0.00 H new ATOM 979 N PRO A 65 -8.893 8.419 8.012 1.00 0.00 N ATOM 980 CA PRO A 65 -10.299 8.784 8.063 1.00 0.00 C ATOM 981 C PRO A 65 -10.728 9.497 6.779 1.00 0.00 C ATOM 982 O PRO A 65 -9.990 10.327 6.250 1.00 0.00 O ATOM 983 CB PRO A 65 -10.434 9.657 9.300 1.00 0.00 C ATOM 984 CG PRO A 65 -9.028 10.129 9.632 1.00 0.00 C ATOM 985 CD PRO A 65 -8.050 9.279 8.838 1.00 0.00 C ATOM 0 HA PRO A 65 -10.956 7.917 8.129 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.095 10.503 9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.864 9.095 10.130 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.910 11.183 9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.836 10.034 10.701 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.394 9.898 8.225 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.410 8.692 9.497 1.00 0.00 H new ATOM 993 N GLY A 66 -11.918 9.146 6.314 1.00 0.00 N ATOM 994 CA GLY A 66 -12.453 9.741 5.102 1.00 0.00 C ATOM 995 C GLY A 66 -11.563 9.429 3.898 1.00 0.00 C ATOM 996 O GLY A 66 -11.382 10.272 3.020 1.00 0.00 O ATOM 0 H GLY A 66 -12.527 8.457 6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.460 9.364 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.535 10.821 5.228 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.029 8.217 3.895 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.161 7.783 2.813 1.00 0.00 C ATOM 1002 C VAL A 67 -10.439 6.311 2.501 1.00 0.00 C ATOM 1003 O VAL A 67 -10.478 5.478 3.405 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.699 8.052 3.176 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.757 7.478 2.115 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.450 9.548 3.378 1.00 0.00 C ATOM 0 H VAL A 67 -11.181 7.521 4.625 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.367 8.352 1.906 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.490 7.548 4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.724 7.683 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.906 6.401 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.969 7.941 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.403 9.711 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.686 10.083 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.083 9.917 4.185 1.00 0.00 H new ATOM 1016 N SER A 68 -10.625 6.037 1.219 1.00 0.00 N ATOM 1017 CA SER A 68 -10.898 4.680 0.776 1.00 0.00 C ATOM 1018 C SER A 68 -9.637 4.064 0.167 1.00 0.00 C ATOM 1019 O SER A 68 -8.904 4.733 -0.560 1.00 0.00 O ATOM 1020 CB SER A 68 -12.045 4.651 -0.237 1.00 0.00 C ATOM 1021 OG SER A 68 -12.515 5.960 -0.548 1.00 0.00 O ATOM 0 H SER A 68 -10.592 6.731 0.472 1.00 0.00 H new ATOM 0 HA SER A 68 -11.200 4.092 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.710 4.159 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.866 4.056 0.162 1.00 0.00 H new ATOM 0 HG SER A 68 -13.245 5.899 -1.199 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.422 2.796 0.487 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.262 2.083 -0.019 1.00 0.00 C ATOM 1029 C PHE A 69 -8.489 1.619 -1.459 1.00 0.00 C ATOM 1030 O PHE A 69 -9.562 1.120 -1.792 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.066 0.856 0.875 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.061 -0.158 0.327 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.741 0.162 0.256 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.487 -1.381 -0.090 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.808 -0.780 -0.253 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.554 -2.323 -0.599 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.234 -2.002 -0.669 1.00 0.00 C ATOM 0 H PHE A 69 -10.032 2.244 1.091 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.390 2.737 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.734 1.186 1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.028 0.362 1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.402 1.133 0.587 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.535 -1.636 -0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.760 -0.525 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.892 -3.294 -0.930 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.524 -2.718 -1.055 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.460 1.800 -2.274 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.534 1.407 -3.671 1.00 0.00 C ATOM 1049 C LYS A 70 -6.188 1.680 -4.345 1.00 0.00 C ATOM 1050 O LYS A 70 -5.290 2.260 -3.735 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.716 2.091 -4.359 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.587 3.614 -4.285 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.903 4.295 -4.667 1.00 0.00 C ATOM 1054 CE LYS A 70 -11.011 3.946 -3.671 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.850 2.844 -4.194 1.00 0.00 N ATOM 0 H LYS A 70 -6.571 2.213 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.722 0.337 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.766 1.777 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.647 1.778 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.300 3.910 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.793 3.948 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.762 5.375 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.199 3.985 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.572 3.655 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.629 4.824 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.754 3.228 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.355 2.373 -4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.032 2.156 -3.436 1.00 0.00 H new ATOM 1069 N ALA A 71 -6.090 1.250 -5.595 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.868 1.442 -6.358 1.00 0.00 C ATOM 1071 C ALA A 71 -4.503 2.927 -6.365 1.00 0.00 C ATOM 1072 O ALA A 71 -5.380 3.786 -6.280 1.00 0.00 O ATOM 1073 CB ALA A 71 -5.055 0.881 -7.769 1.00 0.00 C ATOM 0 H ALA A 71 -6.836 0.770 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.040 0.902 -5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.139 1.025 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.283 -0.183 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.876 1.401 -8.262 1.00 0.00 H new ATOM 1079 N PRO A 72 -3.174 3.192 -6.469 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.682 4.560 -6.488 1.00 0.00 C ATOM 1081 C PRO A 72 -2.955 5.222 -7.840 1.00 0.00 C ATOM 1082 O PRO A 72 -2.661 6.401 -8.028 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.200 4.449 -6.169 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.822 3.002 -6.442 1.00 0.00 C ATOM 1085 CD PRO A 72 -2.107 2.201 -6.571 1.00 0.00 C ATOM 0 HA PRO A 72 -3.185 5.199 -5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.615 5.129 -6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.003 4.715 -5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.232 2.927 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.207 2.609 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.149 1.671 -7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.187 1.451 -5.784 1.00 0.00 H new ATOM 1093 N SER A 73 -3.515 4.434 -8.746 1.00 0.00 N ATOM 1094 CA SER A 73 -3.831 4.929 -10.075 1.00 0.00 C ATOM 1095 C SER A 73 -5.090 5.798 -10.024 1.00 0.00 C ATOM 1096 O SER A 73 -5.262 6.696 -10.846 1.00 0.00 O ATOM 1097 CB SER A 73 -4.022 3.776 -11.062 1.00 0.00 C ATOM 1098 OG SER A 73 -4.922 2.790 -10.564 1.00 0.00 O ATOM 0 H SER A 73 -3.758 3.456 -8.586 1.00 0.00 H new ATOM 0 HA SER A 73 -2.993 5.534 -10.423 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.399 4.167 -12.007 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.057 3.314 -11.270 1.00 0.00 H new ATOM 0 HG SER A 73 -5.845 3.091 -10.700 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.937 5.499 -9.051 1.00 0.00 N ATOM 1105 CA TYR A 74 -7.175 6.241 -8.882 1.00 0.00 C ATOM 1106 C TYR A 74 -7.035 7.298 -7.785 1.00 0.00 C ATOM 1107 O TYR A 74 -7.606 8.383 -7.887 1.00 0.00 O ATOM 1108 CB TYR A 74 -8.227 5.215 -8.454 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.374 4.036 -9.417 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -8.173 4.221 -10.770 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.710 2.788 -8.934 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -8.312 3.111 -11.677 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.849 1.678 -9.841 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.643 1.894 -11.167 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.774 0.846 -12.024 1.00 0.00 O ATOM 0 H TYR A 74 -5.791 4.753 -8.371 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.444 6.755 -9.805 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.967 4.834 -7.466 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.191 5.716 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.911 5.198 -11.148 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.869 2.644 -7.876 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.157 3.242 -12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.111 0.696 -9.476 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.012 0.040 -11.521 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.272 6.945 -6.761 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.050 7.851 -5.646 1.00 0.00 C ATOM 1127 C LEU A 75 -5.336 9.106 -6.149 1.00 0.00 C ATOM 1128 O LEU A 75 -4.543 9.040 -7.087 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.311 7.135 -4.514 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.063 5.980 -3.847 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.180 5.275 -2.815 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.381 6.463 -3.239 1.00 0.00 C ATOM 0 H LEU A 75 -5.800 6.045 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.001 8.174 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.370 6.751 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.061 7.869 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.312 5.246 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.738 4.459 -2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.293 4.877 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.880 5.987 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.895 5.623 -2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.177 7.227 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.011 6.883 -4.023 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.642 10.222 -5.503 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.039 11.491 -5.874 1.00 0.00 C ATOM 1146 C GLU A 76 -3.783 11.746 -5.038 1.00 0.00 C ATOM 1147 O GLU A 76 -3.511 11.020 -4.082 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.040 12.638 -5.723 1.00 0.00 C ATOM 1149 CG GLU A 76 -7.093 12.596 -6.833 1.00 0.00 C ATOM 1150 CD GLU A 76 -7.787 13.952 -6.981 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -7.113 14.968 -6.708 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -8.977 13.941 -7.366 1.00 0.00 O ATOM 0 H GLU A 76 -6.300 10.274 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.749 11.441 -6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.528 12.574 -4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.513 13.592 -5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.622 12.320 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.833 11.827 -6.609 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.051 12.779 -5.427 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.831 13.139 -4.726 1.00 0.00 C ATOM 1161 C ILE A 77 -2.125 13.259 -3.229 1.00 0.00 C ATOM 1162 O ILE A 77 -1.553 12.530 -2.420 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.214 14.399 -5.335 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -0.837 14.172 -6.800 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.024 14.884 -4.505 1.00 0.00 C ATOM 1166 CD1 ILE A 77 0.214 15.186 -7.259 1.00 0.00 C ATOM 0 H ILE A 77 -3.280 13.379 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.080 12.357 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.964 15.190 -5.315 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.452 13.160 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.726 14.256 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.396 15.781 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.356 15.112 -3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.737 14.105 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.465 15.003 -8.304 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.184 16.195 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.110 15.083 -6.648 1.00 0.00 H new ATOM 1178 N SER A 78 -3.016 14.185 -2.906 1.00 0.00 N ATOM 1179 CA SER A 78 -3.393 14.411 -1.521 1.00 0.00 C ATOM 1180 C SER A 78 -3.798 13.088 -0.867 1.00 0.00 C ATOM 1181 O SER A 78 -3.385 12.794 0.254 1.00 0.00 O ATOM 1182 CB SER A 78 -4.533 15.425 -1.419 1.00 0.00 C ATOM 1183 OG SER A 78 -5.615 15.101 -2.288 1.00 0.00 O ATOM 0 H SER A 78 -3.488 14.788 -3.580 1.00 0.00 H new ATOM 0 HA SER A 78 -2.531 14.821 -0.994 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.893 15.464 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.157 16.419 -1.663 1.00 0.00 H new ATOM 0 HG SER A 78 -6.324 15.771 -2.192 1.00 0.00 H new ATOM 1189 N SER A 79 -4.600 12.326 -1.595 1.00 0.00 N ATOM 1190 CA SER A 79 -5.066 11.042 -1.100 1.00 0.00 C ATOM 1191 C SER A 79 -3.874 10.185 -0.668 1.00 0.00 C ATOM 1192 O SER A 79 -3.802 9.748 0.479 1.00 0.00 O ATOM 1193 CB SER A 79 -5.891 10.309 -2.159 1.00 0.00 C ATOM 1194 OG SER A 79 -7.101 10.997 -2.464 1.00 0.00 O ATOM 0 H SER A 79 -4.939 12.573 -2.525 1.00 0.00 H new ATOM 0 HA SER A 79 -5.709 11.220 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.298 10.198 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.124 9.305 -1.806 1.00 0.00 H new ATOM 0 HG SER A 79 -7.598 10.498 -3.145 1.00 0.00 H new ATOM 1200 N MET A 80 -2.969 9.969 -1.611 1.00 0.00 N ATOM 1201 CA MET A 80 -1.784 9.172 -1.343 1.00 0.00 C ATOM 1202 C MET A 80 -1.073 9.655 -0.077 1.00 0.00 C ATOM 1203 O MET A 80 -0.843 8.875 0.846 1.00 0.00 O ATOM 1204 CB MET A 80 -0.827 9.263 -2.533 1.00 0.00 C ATOM 1205 CG MET A 80 -1.435 8.612 -3.777 1.00 0.00 C ATOM 1206 SD MET A 80 -0.219 8.534 -5.081 1.00 0.00 S ATOM 1207 CE MET A 80 -0.709 9.952 -6.048 1.00 0.00 C ATOM 0 H MET A 80 -3.032 10.332 -2.562 1.00 0.00 H new ATOM 0 HA MET A 80 -2.092 8.137 -1.192 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.598 10.308 -2.741 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.115 8.773 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.788 7.609 -3.537 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.301 9.183 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.665 9.702 -7.108 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.727 10.238 -5.784 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.034 10.783 -5.843 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.745 10.938 -0.075 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.065 11.534 1.062 1.00 0.00 C ATOM 1219 C ARG A 81 -0.624 10.971 2.370 1.00 0.00 C ATOM 1220 O ARG A 81 0.114 10.395 3.168 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.222 13.056 1.062 1.00 0.00 C ATOM 1222 CG ARG A 81 1.124 13.747 0.834 1.00 0.00 C ATOM 1223 CD ARG A 81 1.113 14.553 -0.466 1.00 0.00 C ATOM 1224 NE ARG A 81 0.813 15.973 -0.179 1.00 0.00 N ATOM 1225 CZ ARG A 81 1.610 16.780 0.535 1.00 0.00 C ATOM 1226 NH1 ARG A 81 2.760 16.311 1.039 1.00 0.00 N ATOM 1227 NH2 ARG A 81 1.258 18.055 0.746 1.00 0.00 N ATOM 0 H ARG A 81 -0.937 11.582 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 81 0.994 11.289 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.924 13.353 0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.645 13.381 2.012 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.345 14.407 1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.918 13.001 0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.080 14.470 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.368 14.146 -1.149 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.055 16.362 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.028 15.340 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.367 16.925 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.383 18.412 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.865 18.668 1.290 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.924 11.157 2.550 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.590 10.674 3.747 1.00 0.00 C ATOM 1243 C ARG A 82 -2.135 9.250 4.071 1.00 0.00 C ATOM 1244 O ARG A 82 -1.539 9.008 5.119 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.110 10.690 3.576 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.627 12.119 3.398 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.055 12.121 2.848 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.916 12.992 3.679 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.210 13.230 3.427 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.801 12.664 2.366 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.914 14.035 4.235 1.00 0.00 N ATOM 0 H ARG A 82 -2.533 11.636 1.887 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.321 11.340 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.388 10.088 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.582 10.234 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.601 12.641 4.355 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.971 12.665 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.056 12.473 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.451 11.106 2.839 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.498 13.439 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.266 12.052 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.786 12.845 2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.465 14.467 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.899 14.216 4.042 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.433 8.344 3.151 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.062 6.950 3.325 1.00 0.00 C ATOM 1267 C ILE A 83 -0.626 6.871 3.847 1.00 0.00 C ATOM 1268 O ILE A 83 -0.356 6.181 4.829 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.288 6.170 2.029 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.782 6.024 1.731 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.578 4.815 2.073 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.094 6.417 0.285 1.00 0.00 C ATOM 0 H ILE A 83 -2.927 8.548 2.283 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.700 6.476 4.071 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.849 6.737 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.093 4.994 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.356 6.651 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.755 4.281 1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.507 4.969 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.965 4.228 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.162 6.304 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.805 7.455 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.538 5.772 -0.395 1.00 0.00 H new ATOM 1284 N LEU A 84 0.258 7.587 3.168 1.00 0.00 N ATOM 1285 CA LEU A 84 1.659 7.606 3.551 1.00 0.00 C ATOM 1286 C LEU A 84 1.782 8.091 4.997 1.00 0.00 C ATOM 1287 O LEU A 84 2.477 7.477 5.805 1.00 0.00 O ATOM 1288 CB LEU A 84 2.476 8.431 2.554 1.00 0.00 C ATOM 1289 CG LEU A 84 2.428 7.963 1.098 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.063 8.999 0.169 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.071 6.584 0.944 1.00 0.00 C ATOM 0 H LEU A 84 0.031 8.159 2.354 1.00 0.00 H new ATOM 0 HA LEU A 84 2.077 6.600 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.127 9.463 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.516 8.433 2.880 1.00 0.00 H new ATOM 0 HG LEU A 84 1.383 7.865 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.016 8.642 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.522 9.942 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.104 9.152 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.024 6.275 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.113 6.631 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.536 5.862 1.561 1.00 0.00 H new ATOM 1303 N ASP A 85 1.095 9.189 5.279 1.00 0.00 N ATOM 1304 CA ASP A 85 1.118 9.763 6.613 1.00 0.00 C ATOM 1305 C ASP A 85 0.779 8.678 7.637 1.00 0.00 C ATOM 1306 O ASP A 85 1.140 8.790 8.808 1.00 0.00 O ATOM 1307 CB ASP A 85 0.082 10.881 6.750 1.00 0.00 C ATOM 1308 CG ASP A 85 0.430 11.964 7.773 1.00 0.00 C ATOM 1309 OD1 ASP A 85 0.139 11.732 8.966 1.00 0.00 O ATOM 1310 OD2 ASP A 85 0.980 12.999 7.338 1.00 0.00 O ATOM 0 H ASP A 85 0.519 9.696 4.606 1.00 0.00 H new ATOM 0 HA ASP A 85 2.114 10.170 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.053 11.352 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.875 10.437 7.025 1.00 0.00 H new ATOM 1315 N SER A 86 0.091 7.652 7.159 1.00 0.00 N ATOM 1316 CA SER A 86 -0.300 6.547 8.018 1.00 0.00 C ATOM 1317 C SER A 86 0.379 5.257 7.554 1.00 0.00 C ATOM 1318 O SER A 86 -0.072 4.161 7.882 1.00 0.00 O ATOM 1319 CB SER A 86 -1.820 6.371 8.032 1.00 0.00 C ATOM 1320 OG SER A 86 -2.418 6.988 9.169 1.00 0.00 O ATOM 0 H SER A 86 -0.206 7.562 6.187 1.00 0.00 H new ATOM 0 HA SER A 86 0.022 6.774 9.034 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.243 6.799 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.062 5.308 8.027 1.00 0.00 H new ATOM 0 HG SER A 86 -2.357 6.385 9.939 1.00 0.00 H new ATOM 1326 N ALA A 87 1.453 5.431 6.797 1.00 0.00 N ATOM 1327 CA ALA A 87 2.199 4.294 6.284 1.00 0.00 C ATOM 1328 C ALA A 87 2.437 3.293 7.417 1.00 0.00 C ATOM 1329 O ALA A 87 2.307 2.086 7.220 1.00 0.00 O ATOM 1330 CB ALA A 87 3.504 4.783 5.653 1.00 0.00 C ATOM 0 H ALA A 87 1.824 6.342 6.527 1.00 0.00 H new ATOM 0 HA ALA A 87 1.633 3.782 5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.064 3.931 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.279 5.468 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.101 5.299 6.405 1.00 0.00 H new ATOM 1336 N GLU A 88 2.782 3.832 8.577 1.00 0.00 N ATOM 1337 CA GLU A 88 3.040 3.002 9.741 1.00 0.00 C ATOM 1338 C GLU A 88 1.735 2.396 10.261 1.00 0.00 C ATOM 1339 O GLU A 88 1.736 1.310 10.838 1.00 0.00 O ATOM 1340 CB GLU A 88 3.750 3.799 10.837 1.00 0.00 C ATOM 1341 CG GLU A 88 2.843 4.902 11.387 1.00 0.00 C ATOM 1342 CD GLU A 88 3.614 5.823 12.334 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.280 6.744 11.814 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.521 5.586 13.558 1.00 0.00 O ATOM 0 H GLU A 88 2.889 4.834 8.736 1.00 0.00 H new ATOM 0 HA GLU A 88 3.702 2.189 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.046 3.130 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.663 4.240 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.431 5.484 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.000 4.456 11.914 1.00 0.00 H new ATOM 1351 N PHE A 89 0.651 3.125 10.037 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.658 2.674 10.476 1.00 0.00 C ATOM 1353 C PHE A 89 -1.205 1.590 9.545 1.00 0.00 C ATOM 1354 O PHE A 89 -1.864 0.655 9.995 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.589 3.888 10.428 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.734 4.614 11.767 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.126 3.927 12.874 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.470 5.945 11.851 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.260 4.601 14.117 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.604 6.619 13.094 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.996 5.933 14.200 1.00 0.00 C ATOM 0 H PHE A 89 0.653 4.025 9.557 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.589 2.253 11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.215 4.591 9.684 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.575 3.564 10.093 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.335 2.870 12.808 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.158 6.490 10.972 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.571 4.056 14.996 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.394 7.676 13.160 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.098 6.446 15.145 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.911 1.753 8.263 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.365 0.800 7.264 1.00 0.00 C ATOM 1373 C ILE A 90 -1.169 -0.621 7.795 1.00 0.00 C ATOM 1374 O ILE A 90 -0.214 -0.889 8.523 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.673 1.057 5.924 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.894 2.498 5.460 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.120 0.041 4.872 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.320 2.960 5.767 1.00 0.00 C ATOM 0 H ILE A 90 -0.364 2.531 7.893 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.431 0.926 7.075 1.00 0.00 H new ATOM 0 HB ILE A 90 0.400 0.925 6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.180 3.157 5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.707 2.572 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.613 0.247 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.868 -0.965 5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.198 0.116 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.451 3.987 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.031 2.314 5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.496 2.908 6.841 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.088 -1.495 7.411 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.027 -2.882 7.839 1.00 0.00 C ATOM 1392 C LYS A 91 -2.815 -3.750 6.855 1.00 0.00 C ATOM 1393 O LYS A 91 -3.715 -3.261 6.174 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.497 -3.016 9.289 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.947 -4.293 9.928 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.362 -4.394 11.397 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.936 -5.777 11.711 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.246 -6.371 12.878 1.00 0.00 N ATOM 0 H LYS A 91 -2.879 -1.269 6.808 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.997 -3.240 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.171 -2.148 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.586 -3.029 9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.312 -5.163 9.383 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.860 -4.303 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.500 -4.200 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.105 -3.628 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.004 -5.697 11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.825 -6.429 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.647 -7.309 13.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.231 -6.465 12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.374 -5.756 13.707 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.447 -5.022 6.812 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.107 -5.962 5.922 1.00 0.00 C ATOM 1414 C PHE A 92 -3.288 -7.322 6.599 1.00 0.00 C ATOM 1415 O PHE A 92 -2.313 -7.951 7.007 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.205 -6.131 4.699 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.320 -4.996 3.679 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.837 -3.760 3.979 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -2.906 -5.222 2.473 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -1.944 -2.707 3.033 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.014 -4.169 1.527 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.531 -2.933 1.827 1.00 0.00 C ATOM 0 H PHE A 92 -1.700 -5.424 7.379 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.093 -5.586 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.169 -6.203 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.449 -7.073 4.208 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.372 -3.580 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.289 -6.203 2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.559 -1.726 3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.480 -4.349 0.569 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.614 -2.132 1.108 1.00 0.00 H new ATOM 1432 N THR A 93 -4.543 -7.736 6.698 1.00 0.00 N ATOM 1433 CA THR A 93 -4.864 -9.010 7.318 1.00 0.00 C ATOM 1434 C THR A 93 -5.284 -10.029 6.257 1.00 0.00 C ATOM 1435 O THR A 93 -6.190 -9.769 5.466 1.00 0.00 O ATOM 1436 CB THR A 93 -5.936 -8.762 8.381 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.305 -7.889 9.314 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.252 -10.016 9.198 1.00 0.00 C ATOM 0 H THR A 93 -5.349 -7.211 6.359 1.00 0.00 H new ATOM 0 HA THR A 93 -3.992 -9.441 7.810 1.00 0.00 H new ATOM 0 HB THR A 93 -6.846 -8.403 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.931 -7.675 10.037 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.019 -9.785 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.614 -10.801 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.349 -10.357 9.705 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.606 -11.167 6.274 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.898 -12.227 5.323 1.00 0.00 C ATOM 1448 C VAL A 94 -5.750 -13.299 6.006 1.00 0.00 C ATOM 1449 O VAL A 94 -5.217 -14.249 6.577 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.596 -12.779 4.740 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.858 -14.040 3.914 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.874 -11.718 3.907 1.00 0.00 C ATOM 0 H VAL A 94 -3.855 -11.379 6.931 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.476 -11.839 4.484 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.945 -13.051 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.917 -14.413 3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.309 -14.803 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.536 -13.803 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.952 -12.137 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.517 -11.400 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.638 -10.860 4.536 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.059 -13.110 5.925 1.00 0.00 N ATOM 1463 CA ILE A 95 -7.989 -14.049 6.528 1.00 0.00 C ATOM 1464 C ILE A 95 -7.949 -15.368 5.754 1.00 0.00 C ATOM 1465 O ILE A 95 -7.935 -16.443 6.352 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.387 -13.433 6.621 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.429 -12.326 7.677 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.444 -14.509 6.877 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.472 -11.188 7.316 1.00 0.00 C ATOM 0 H ILE A 95 -7.497 -12.320 5.451 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.694 -14.272 7.554 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.622 -12.972 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.444 -11.939 7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.161 -12.737 8.650 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.428 -14.045 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.434 -15.231 6.060 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.224 -15.019 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.521 -10.414 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.454 -11.574 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.758 -10.764 6.353 1.00 0.00 H new ATOM 1481 N ARG A 96 -7.931 -15.243 4.435 1.00 0.00 N ATOM 1482 CA ARG A 96 -7.893 -16.413 3.573 1.00 0.00 C ATOM 1483 C ARG A 96 -7.236 -16.065 2.236 1.00 0.00 C ATOM 1484 O ARG A 96 -7.553 -15.041 1.632 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.301 -16.954 3.317 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.255 -15.830 2.909 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.694 -16.161 3.307 1.00 0.00 C ATOM 1488 NE ARG A 96 -12.394 -16.815 2.179 1.00 0.00 N ATOM 1489 CZ ARG A 96 -13.576 -17.438 2.287 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -14.197 -17.495 3.473 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -14.136 -18.003 1.209 1.00 0.00 N ATOM 0 H ARG A 96 -7.942 -14.350 3.942 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.308 -17.181 4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.267 -17.710 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.675 -17.445 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.948 -14.898 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.199 -15.673 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -11.697 -16.817 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.220 -15.250 3.593 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.949 -16.790 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.770 -17.064 4.293 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.096 -17.969 3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.663 -17.959 0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.035 -18.477 1.291 1.00 0.00 H new