USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 763 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 51 CYS SG : rot 180:sc=-0.000435 USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0.254 K(o=0.25,f=-1.9!) USER MOD Single : A 19 SER OG : rot 45:sc= 0.694 USER MOD Single : A 35 SER OG : rot -50:sc= -0.529 USER MOD Single : A 41 SER OG : rot -22:sc= -0.0429 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0553) USER MOD Single : A 57 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.0037) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 61 TYR OH : rot 118:sc= 0.82 USER MOD Single : A 74 GLN : amide:sc= -0.633 K(o=-0.63,f=-1.8!) USER MOD Single : A 75 THR OG1 : rot -160:sc= -1.08! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 85 GLN : amide:sc= -0.0552 X(o=-0.055,f=-0.29) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 90:sc= -0.0436 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 99 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 103 CYS SG : rot 78:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -0.349 -4.654 -13.662 1.00 0.00 N ATOM 182 CA SER A 12 0.318 -3.753 -12.715 1.00 0.00 C ATOM 183 C SER A 12 -0.733 -3.178 -11.761 1.00 0.00 C ATOM 184 O SER A 12 -1.731 -2.605 -12.204 1.00 0.00 O ATOM 185 CB SER A 12 1.033 -2.560 -13.422 1.00 0.00 C ATOM 186 OG SER A 12 2.086 -2.978 -14.278 1.00 0.00 O ATOM 0 HA SER A 12 1.074 -4.336 -12.188 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.302 -1.996 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.432 -1.883 -12.667 1.00 0.00 H new ATOM 0 HG SER A 12 2.498 -2.194 -14.696 1.00 0.00 H new ATOM 192 N TRP A 13 -0.524 -3.353 -10.461 1.00 0.00 N ATOM 193 CA TRP A 13 -1.190 -2.566 -9.405 1.00 0.00 C ATOM 194 C TRP A 13 -0.209 -1.470 -8.946 1.00 0.00 C ATOM 195 O TRP A 13 -0.592 -0.485 -8.319 1.00 0.00 O ATOM 196 CB TRP A 13 -1.632 -3.488 -8.218 1.00 0.00 C ATOM 197 CG TRP A 13 -0.779 -4.734 -8.051 1.00 0.00 C ATOM 198 CD1 TRP A 13 -1.073 -5.991 -8.499 1.00 0.00 C ATOM 199 CD2 TRP A 13 0.523 -4.825 -7.455 1.00 0.00 C ATOM 200 NE1 TRP A 13 -0.056 -6.852 -8.193 1.00 0.00 N ATOM 201 CE2 TRP A 13 0.940 -6.164 -7.566 1.00 0.00 C ATOM 202 CE3 TRP A 13 1.371 -3.905 -6.844 1.00 0.00 C ATOM 203 CZ2 TRP A 13 2.167 -6.606 -7.085 1.00 0.00 C ATOM 204 CZ3 TRP A 13 2.588 -4.338 -6.374 1.00 0.00 C ATOM 205 CH2 TRP A 13 2.982 -5.679 -6.502 1.00 0.00 C ATOM 0 H TRP A 13 0.121 -4.054 -10.096 1.00 0.00 H new ATOM 0 HA TRP A 13 -2.099 -2.103 -9.789 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.600 -2.912 -7.293 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.669 -3.788 -8.371 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.979 -6.265 -9.020 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.044 -7.851 -8.401 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.078 -2.871 -6.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.464 -7.641 -7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.253 -3.633 -5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.950 -5.984 -6.132 1.00 0.00 H new ATOM 216 N TYR A 14 1.083 -1.692 -9.261 1.00 0.00 N ATOM 217 CA TYR A 14 2.110 -0.664 -9.179 1.00 0.00 C ATOM 218 C TYR A 14 1.934 0.285 -10.379 1.00 0.00 C ATOM 219 O TYR A 14 2.250 -0.076 -11.515 1.00 0.00 O ATOM 220 CB TYR A 14 3.540 -1.271 -9.142 1.00 0.00 C ATOM 221 CG TYR A 14 4.659 -0.206 -9.163 1.00 0.00 C ATOM 222 CD1 TYR A 14 4.667 0.826 -8.226 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.675 -0.209 -10.124 1.00 0.00 C ATOM 224 CE1 TYR A 14 5.630 1.807 -8.247 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.644 0.779 -10.147 1.00 0.00 C ATOM 226 CZ TYR A 14 6.617 1.780 -9.203 1.00 0.00 C ATOM 227 OH TYR A 14 7.578 2.775 -9.217 1.00 0.00 O ATOM 0 H TYR A 14 1.432 -2.596 -9.579 1.00 0.00 H new ATOM 0 HA TYR A 14 1.995 -0.112 -8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.645 -1.880 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.666 -1.937 -9.996 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.900 0.856 -7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.704 -0.997 -10.862 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.611 2.599 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.417 0.764 -10.901 1.00 0.00 H new ATOM 0 HH TYR A 14 8.205 2.614 -9.952 1.00 0.00 H new ATOM 237 N HIS A 15 1.387 1.472 -10.112 1.00 0.00 N ATOM 238 CA HIS A 15 1.193 2.529 -11.106 1.00 0.00 C ATOM 239 C HIS A 15 2.117 3.672 -10.688 1.00 0.00 C ATOM 240 O HIS A 15 1.751 4.468 -9.821 1.00 0.00 O ATOM 241 CB HIS A 15 -0.288 2.993 -11.157 1.00 0.00 C ATOM 242 CG HIS A 15 -1.264 1.888 -11.420 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.404 1.296 -12.645 1.00 0.00 N ATOM 244 CD2 HIS A 15 -2.124 1.253 -10.599 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.299 0.345 -12.573 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.756 0.294 -11.344 1.00 0.00 N ATOM 0 H HIS A 15 1.060 1.731 -9.181 1.00 0.00 H new ATOM 0 HA HIS A 15 1.429 2.175 -12.109 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.541 3.470 -10.210 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.394 3.750 -11.934 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.284 1.461 -9.551 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.610 -0.292 -13.388 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.465 -0.353 -11.000 1.00 0.00 H new ATOM 255 N ARG A 16 3.317 3.714 -11.303 1.00 0.00 N ATOM 256 CA ARG A 16 4.472 4.510 -10.824 1.00 0.00 C ATOM 257 C ARG A 16 4.140 6.001 -10.625 1.00 0.00 C ATOM 258 O ARG A 16 4.552 6.610 -9.639 1.00 0.00 O ATOM 259 CB ARG A 16 5.687 4.353 -11.785 1.00 0.00 C ATOM 260 CG ARG A 16 5.491 4.961 -13.197 1.00 0.00 C ATOM 261 CD ARG A 16 6.743 4.848 -14.079 1.00 0.00 C ATOM 262 NE ARG A 16 6.616 5.624 -15.325 1.00 0.00 N ATOM 263 CZ ARG A 16 7.480 5.576 -16.346 1.00 0.00 C ATOM 264 NH1 ARG A 16 8.486 4.718 -16.345 1.00 0.00 N ATOM 265 NH2 ARG A 16 7.315 6.387 -17.366 1.00 0.00 N ATOM 0 H ARG A 16 3.516 3.191 -12.156 1.00 0.00 H new ATOM 0 HA ARG A 16 4.731 4.111 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.558 4.819 -11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.912 3.292 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.659 4.458 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.216 6.011 -13.099 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.611 5.198 -13.521 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.921 3.800 -14.322 1.00 0.00 H new ATOM 0 HE ARG A 16 5.811 6.243 -15.416 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.612 4.081 -15.559 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.136 4.693 -17.131 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.535 7.044 -17.374 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.967 6.360 -18.150 1.00 0.00 H new ATOM 279 N ASP A 17 3.355 6.585 -11.529 1.00 0.00 N ATOM 280 CA ASP A 17 2.968 7.995 -11.453 1.00 0.00 C ATOM 281 C ASP A 17 1.443 8.030 -11.495 1.00 0.00 C ATOM 282 O ASP A 17 0.839 8.054 -12.570 1.00 0.00 O ATOM 283 CB ASP A 17 3.619 8.807 -12.616 1.00 0.00 C ATOM 284 CG ASP A 17 3.313 10.313 -12.525 1.00 0.00 C ATOM 285 OD1 ASP A 17 3.980 11.008 -11.729 1.00 0.00 O ATOM 286 OD2 ASP A 17 2.397 10.800 -13.226 1.00 0.00 O ATOM 0 H ASP A 17 2.969 6.095 -12.336 1.00 0.00 H new ATOM 0 HA ASP A 17 3.322 8.463 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.699 8.657 -12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.258 8.423 -13.570 1.00 0.00 H new ATOM 291 N LEU A 18 0.831 7.879 -10.316 1.00 0.00 N ATOM 292 CA LEU A 18 -0.630 7.828 -10.180 1.00 0.00 C ATOM 293 C LEU A 18 -1.158 9.013 -9.367 1.00 0.00 C ATOM 294 O LEU A 18 -2.177 9.595 -9.744 1.00 0.00 O ATOM 295 CB LEU A 18 -1.060 6.474 -9.564 1.00 0.00 C ATOM 296 CG LEU A 18 -2.591 6.165 -9.584 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.184 6.251 -11.012 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.872 4.797 -8.948 1.00 0.00 C ATOM 0 H LEU A 18 1.331 7.789 -9.432 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.072 7.906 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.542 5.676 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.717 6.443 -8.530 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.088 6.931 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.251 6.029 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.036 7.256 -11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.684 5.529 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.944 4.598 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.347 4.022 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.525 4.798 -7.915 1.00 0.00 H new ATOM 310 N SER A 19 -0.486 9.314 -8.229 1.00 0.00 N ATOM 311 CA SER A 19 -0.808 10.462 -7.328 1.00 0.00 C ATOM 312 C SER A 19 -1.998 10.107 -6.418 1.00 0.00 C ATOM 313 O SER A 19 -2.806 9.253 -6.778 1.00 0.00 O ATOM 314 CB SER A 19 -1.058 11.792 -8.097 1.00 0.00 C ATOM 315 OG SER A 19 -1.372 12.862 -7.229 1.00 0.00 O ATOM 0 H SER A 19 0.307 8.762 -7.901 1.00 0.00 H new ATOM 0 HA SER A 19 0.071 10.639 -6.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.171 12.046 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.873 11.651 -8.807 1.00 0.00 H new ATOM 0 HG SER A 19 -0.760 12.852 -6.463 1.00 0.00 H new ATOM 321 N ARG A 20 -2.094 10.773 -5.244 1.00 0.00 N ATOM 322 CA ARG A 20 -3.082 10.426 -4.196 1.00 0.00 C ATOM 323 C ARG A 20 -4.532 10.480 -4.710 1.00 0.00 C ATOM 324 O ARG A 20 -5.290 9.534 -4.502 1.00 0.00 O ATOM 325 CB ARG A 20 -2.946 11.345 -2.953 1.00 0.00 C ATOM 326 CG ARG A 20 -4.021 11.080 -1.862 1.00 0.00 C ATOM 327 CD ARG A 20 -3.900 11.991 -0.633 1.00 0.00 C ATOM 328 NE ARG A 20 -5.018 11.778 0.313 1.00 0.00 N ATOM 329 CZ ARG A 20 -5.085 10.815 1.253 1.00 0.00 C ATOM 330 NH1 ARG A 20 -4.097 9.936 1.421 1.00 0.00 N ATOM 331 NH2 ARG A 20 -6.157 10.738 2.025 1.00 0.00 N ATOM 0 H ARG A 20 -1.494 11.560 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.858 9.398 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.956 11.208 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.013 12.385 -3.272 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.010 11.210 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.949 10.041 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.953 11.799 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.885 13.033 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.809 12.418 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.266 9.983 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.172 9.216 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.921 11.403 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.219 10.013 2.740 1.00 0.00 H new ATOM 345 N ALA A 21 -4.899 11.598 -5.353 1.00 0.00 N ATOM 346 CA ALA A 21 -6.271 11.848 -5.839 1.00 0.00 C ATOM 347 C ALA A 21 -6.761 10.731 -6.780 1.00 0.00 C ATOM 348 O ALA A 21 -7.801 10.118 -6.530 1.00 0.00 O ATOM 349 CB ALA A 21 -6.342 13.213 -6.536 1.00 0.00 C ATOM 0 H ALA A 21 -4.252 12.360 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.934 11.854 -4.974 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.358 13.388 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.064 13.996 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.655 13.226 -7.382 1.00 0.00 H new ATOM 355 N ALA A 22 -5.969 10.451 -7.832 1.00 0.00 N ATOM 356 CA ALA A 22 -6.296 9.424 -8.840 1.00 0.00 C ATOM 357 C ALA A 22 -6.204 8.002 -8.259 1.00 0.00 C ATOM 358 O ALA A 22 -6.925 7.123 -8.706 1.00 0.00 O ATOM 359 CB ALA A 22 -5.381 9.557 -10.066 1.00 0.00 C ATOM 0 H ALA A 22 -5.085 10.929 -8.007 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.328 9.590 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.639 8.791 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.512 10.543 -10.512 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.342 9.432 -9.760 1.00 0.00 H new ATOM 365 N ALA A 23 -5.300 7.803 -7.277 1.00 0.00 N ATOM 366 CA ALA A 23 -5.115 6.508 -6.580 1.00 0.00 C ATOM 367 C ALA A 23 -6.355 6.128 -5.762 1.00 0.00 C ATOM 368 O ALA A 23 -6.951 5.083 -5.981 1.00 0.00 O ATOM 369 CB ALA A 23 -3.872 6.552 -5.671 1.00 0.00 C ATOM 0 H ALA A 23 -4.675 8.536 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.967 5.744 -7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.754 5.592 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.987 6.757 -6.274 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.994 7.339 -4.926 1.00 0.00 H new ATOM 375 N GLU A 24 -6.705 7.008 -4.825 1.00 0.00 N ATOM 376 CA GLU A 24 -7.868 6.881 -3.932 1.00 0.00 C ATOM 377 C GLU A 24 -9.187 6.735 -4.719 1.00 0.00 C ATOM 378 O GLU A 24 -10.041 5.905 -4.384 1.00 0.00 O ATOM 379 CB GLU A 24 -7.908 8.138 -3.032 1.00 0.00 C ATOM 380 CG GLU A 24 -9.101 8.219 -2.068 1.00 0.00 C ATOM 381 CD GLU A 24 -9.073 9.471 -1.178 1.00 0.00 C ATOM 382 OE1 GLU A 24 -8.330 9.485 -0.173 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.789 10.451 -1.486 1.00 0.00 O ATOM 0 H GLU A 24 -6.171 7.861 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.766 5.977 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.988 8.176 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.918 9.021 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.027 8.210 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.110 7.331 -1.436 1.00 0.00 H new ATOM 390 N GLU A 25 -9.310 7.546 -5.778 1.00 0.00 N ATOM 391 CA GLU A 25 -10.488 7.556 -6.653 1.00 0.00 C ATOM 392 C GLU A 25 -10.572 6.239 -7.443 1.00 0.00 C ATOM 393 O GLU A 25 -11.655 5.698 -7.628 1.00 0.00 O ATOM 394 CB GLU A 25 -10.443 8.779 -7.603 1.00 0.00 C ATOM 395 CG GLU A 25 -11.683 8.951 -8.502 1.00 0.00 C ATOM 396 CD GLU A 25 -11.661 10.257 -9.317 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.128 10.265 -10.451 1.00 0.00 O ATOM 398 OE2 GLU A 25 -12.159 11.287 -8.814 1.00 0.00 O ATOM 0 H GLU A 25 -8.592 8.216 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.385 7.641 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.319 9.681 -7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.561 8.695 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.749 8.104 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.579 8.931 -7.882 1.00 0.00 H new ATOM 405 N LEU A 26 -9.407 5.743 -7.903 1.00 0.00 N ATOM 406 CA LEU A 26 -9.278 4.436 -8.591 1.00 0.00 C ATOM 407 C LEU A 26 -9.665 3.263 -7.664 1.00 0.00 C ATOM 408 O LEU A 26 -10.319 2.305 -8.095 1.00 0.00 O ATOM 409 CB LEU A 26 -7.834 4.261 -9.131 1.00 0.00 C ATOM 410 CG LEU A 26 -7.552 3.010 -10.015 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.501 2.947 -11.238 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.062 2.960 -10.441 1.00 0.00 C ATOM 0 H LEU A 26 -8.521 6.239 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.973 4.425 -9.431 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.580 5.149 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.156 4.232 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.755 2.124 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.273 2.061 -11.830 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.534 2.898 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.364 3.838 -11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.889 2.078 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.817 3.855 -11.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.431 2.912 -9.553 1.00 0.00 H new ATOM 424 N LEU A 27 -9.280 3.370 -6.383 1.00 0.00 N ATOM 425 CA LEU A 27 -9.616 2.368 -5.349 1.00 0.00 C ATOM 426 C LEU A 27 -11.122 2.367 -5.049 1.00 0.00 C ATOM 427 O LEU A 27 -11.662 1.353 -4.635 1.00 0.00 O ATOM 428 CB LEU A 27 -8.836 2.638 -4.038 1.00 0.00 C ATOM 429 CG LEU A 27 -7.293 2.492 -4.115 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.636 2.872 -2.777 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.885 1.072 -4.570 1.00 0.00 C ATOM 0 H LEU A 27 -8.727 4.152 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.329 1.392 -5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.068 3.649 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.207 1.956 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.927 3.189 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.555 2.761 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.877 3.907 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.010 2.218 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.798 1.002 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.267 0.339 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.301 0.873 -5.557 1.00 0.00 H new ATOM 443 N ALA A 28 -11.758 3.535 -5.221 1.00 0.00 N ATOM 444 CA ALA A 28 -13.196 3.727 -4.980 1.00 0.00 C ATOM 445 C ALA A 28 -14.033 3.217 -6.175 1.00 0.00 C ATOM 446 O ALA A 28 -14.906 2.362 -6.009 1.00 0.00 O ATOM 447 CB ALA A 28 -13.471 5.211 -4.691 1.00 0.00 C ATOM 0 H ALA A 28 -11.284 4.382 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.495 3.141 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.536 5.355 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.910 5.520 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.162 5.812 -5.547 1.00 0.00 H new ATOM 453 N ARG A 29 -13.721 3.717 -7.381 1.00 0.00 N ATOM 454 CA ARG A 29 -14.500 3.435 -8.606 1.00 0.00 C ATOM 455 C ARG A 29 -14.389 1.950 -9.009 1.00 0.00 C ATOM 456 O ARG A 29 -15.395 1.309 -9.319 1.00 0.00 O ATOM 457 CB ARG A 29 -14.051 4.354 -9.788 1.00 0.00 C ATOM 458 CG ARG A 29 -12.585 4.151 -10.260 1.00 0.00 C ATOM 459 CD ARG A 29 -12.242 4.912 -11.544 1.00 0.00 C ATOM 460 NE ARG A 29 -12.308 6.374 -11.380 1.00 0.00 N ATOM 461 CZ ARG A 29 -12.989 7.208 -12.177 1.00 0.00 C ATOM 462 NH1 ARG A 29 -13.769 6.741 -13.146 1.00 0.00 N ATOM 463 NH2 ARG A 29 -12.898 8.506 -11.987 1.00 0.00 N ATOM 0 H ARG A 29 -12.921 4.330 -7.539 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.545 3.652 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.716 4.182 -10.634 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.179 5.394 -9.488 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.909 4.471 -9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.408 3.087 -10.420 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.240 4.633 -11.869 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.929 4.609 -12.334 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.795 6.783 -10.599 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.855 5.735 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.281 7.388 -13.745 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.312 8.872 -11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.414 9.147 -12.590 1.00 0.00 H new ATOM 477 N ALA A 30 -13.149 1.420 -8.989 1.00 0.00 N ATOM 478 CA ALA A 30 -12.847 0.074 -9.489 1.00 0.00 C ATOM 479 C ALA A 30 -12.995 -0.964 -8.377 1.00 0.00 C ATOM 480 O ALA A 30 -13.836 -1.865 -8.478 1.00 0.00 O ATOM 481 CB ALA A 30 -11.439 0.033 -10.099 1.00 0.00 C ATOM 0 H ALA A 30 -12.335 1.916 -8.626 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.564 -0.173 -10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.230 -0.972 -10.465 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.380 0.740 -10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.705 0.302 -9.339 1.00 0.00 H new ATOM 487 N GLY A 31 -12.197 -0.818 -7.299 1.00 0.00 N ATOM 488 CA GLY A 31 -12.131 -1.829 -6.244 1.00 0.00 C ATOM 489 C GLY A 31 -13.267 -1.735 -5.234 1.00 0.00 C ATOM 490 O GLY A 31 -13.707 -2.760 -4.710 1.00 0.00 O ATOM 0 H GLY A 31 -11.594 -0.010 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.143 -2.819 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.181 -1.732 -5.719 1.00 0.00 H new ATOM 494 N ARG A 32 -13.673 -0.489 -4.914 1.00 0.00 N ATOM 495 CA ARG A 32 -14.823 -0.161 -4.030 1.00 0.00 C ATOM 496 C ARG A 32 -14.530 -0.398 -2.514 1.00 0.00 C ATOM 497 O ARG A 32 -15.102 0.307 -1.667 1.00 0.00 O ATOM 498 CB ARG A 32 -16.132 -0.877 -4.549 1.00 0.00 C ATOM 499 CG ARG A 32 -17.453 -0.657 -3.748 1.00 0.00 C ATOM 500 CD ARG A 32 -17.652 -1.677 -2.607 1.00 0.00 C ATOM 501 NE ARG A 32 -18.864 -1.427 -1.805 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.210 -2.121 -0.706 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.479 -3.151 -0.284 1.00 0.00 N ATOM 504 NH2 ARG A 32 -20.304 -1.785 -0.043 1.00 0.00 N ATOM 0 H ARG A 32 -13.201 0.342 -5.270 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.995 0.914 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.306 -0.553 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.936 -1.949 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.453 0.350 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.299 -0.718 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.706 -2.680 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.781 -1.654 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.484 -0.675 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.641 -3.426 -0.796 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.757 -3.665 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.877 -1.006 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.575 -2.305 0.792 1.00 0.00 H new ATOM 518 N ASP A 33 -13.583 -1.302 -2.176 1.00 0.00 N ATOM 519 CA ASP A 33 -13.421 -1.851 -0.806 1.00 0.00 C ATOM 520 C ASP A 33 -12.335 -2.940 -0.818 1.00 0.00 C ATOM 521 O ASP A 33 -12.244 -3.695 -1.794 1.00 0.00 O ATOM 522 CB ASP A 33 -14.748 -2.453 -0.256 1.00 0.00 C ATOM 523 CG ASP A 33 -14.611 -2.982 1.177 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.483 -2.160 2.108 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.635 -4.214 1.386 1.00 0.00 O ATOM 0 H ASP A 33 -12.908 -1.673 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.132 -1.029 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.527 -1.691 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.072 -3.264 -0.908 1.00 0.00 H new ATOM 530 N GLY A 34 -11.496 -3.006 0.248 1.00 0.00 N ATOM 531 CA GLY A 34 -10.423 -4.018 0.352 1.00 0.00 C ATOM 532 C GLY A 34 -9.290 -3.767 -0.629 1.00 0.00 C ATOM 533 O GLY A 34 -8.392 -4.597 -0.789 1.00 0.00 O ATOM 0 H GLY A 34 -11.545 -2.370 1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.027 -4.020 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.843 -5.008 0.172 1.00 0.00 H new ATOM 537 N SER A 35 -9.342 -2.594 -1.261 1.00 0.00 N ATOM 538 CA SER A 35 -8.526 -2.247 -2.402 1.00 0.00 C ATOM 539 C SER A 35 -7.159 -1.720 -1.959 1.00 0.00 C ATOM 540 O SER A 35 -7.048 -1.090 -0.911 1.00 0.00 O ATOM 541 CB SER A 35 -9.299 -1.204 -3.226 1.00 0.00 C ATOM 542 OG SER A 35 -10.633 -1.630 -3.461 1.00 0.00 O ATOM 0 H SER A 35 -9.974 -1.845 -0.978 1.00 0.00 H new ATOM 0 HA SER A 35 -8.330 -3.128 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.305 -0.250 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.793 -1.039 -4.177 1.00 0.00 H new ATOM 0 HG SER A 35 -10.627 -2.545 -3.811 1.00 0.00 H new ATOM 548 N PHE A 36 -6.121 -1.998 -2.755 1.00 0.00 N ATOM 549 CA PHE A 36 -4.770 -1.468 -2.533 1.00 0.00 C ATOM 550 C PHE A 36 -4.054 -1.340 -3.883 1.00 0.00 C ATOM 551 O PHE A 36 -4.357 -2.072 -4.834 1.00 0.00 O ATOM 552 CB PHE A 36 -3.950 -2.373 -1.560 1.00 0.00 C ATOM 553 CG PHE A 36 -3.490 -3.726 -2.140 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.377 -4.791 -2.279 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.163 -3.920 -2.554 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.957 -6.002 -2.805 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.750 -5.130 -3.081 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.646 -6.172 -3.203 1.00 0.00 C ATOM 0 H PHE A 36 -6.194 -2.600 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.852 -0.487 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.070 -1.820 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.555 -2.564 -0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.406 -4.671 -1.973 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.453 -3.112 -2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.659 -6.817 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.725 -5.259 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.322 -7.119 -3.609 1.00 0.00 H new ATOM 568 N LEU A 37 -3.123 -0.393 -3.958 1.00 0.00 N ATOM 569 CA LEU A 37 -2.190 -0.263 -5.080 1.00 0.00 C ATOM 570 C LEU A 37 -0.905 0.403 -4.585 1.00 0.00 C ATOM 571 O LEU A 37 -0.903 1.092 -3.554 1.00 0.00 O ATOM 572 CB LEU A 37 -2.858 0.499 -6.278 1.00 0.00 C ATOM 573 CG LEU A 37 -3.587 1.855 -5.969 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.618 3.018 -5.674 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.571 2.226 -7.104 1.00 0.00 C ATOM 0 H LEU A 37 -2.991 0.315 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.927 -1.248 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.086 0.696 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.582 -0.172 -6.740 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.154 1.693 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.189 3.924 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.006 2.771 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.974 3.183 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.063 3.169 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.024 2.329 -8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.321 1.442 -7.206 1.00 0.00 H new ATOM 587 N VAL A 38 0.178 0.208 -5.329 1.00 0.00 N ATOM 588 CA VAL A 38 1.488 0.797 -5.024 1.00 0.00 C ATOM 589 C VAL A 38 1.807 1.831 -6.116 1.00 0.00 C ATOM 590 O VAL A 38 1.273 1.759 -7.224 1.00 0.00 O ATOM 591 CB VAL A 38 2.605 -0.312 -4.931 1.00 0.00 C ATOM 592 CG1 VAL A 38 3.968 0.276 -4.472 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.156 -1.466 -3.991 1.00 0.00 C ATOM 0 H VAL A 38 0.177 -0.368 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 38 1.461 1.286 -4.050 1.00 0.00 H new ATOM 0 HB VAL A 38 2.748 -0.716 -5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.710 -0.521 -4.421 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.297 1.032 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.855 0.730 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.941 -2.221 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.969 -1.070 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.243 -1.917 -4.379 1.00 0.00 H new ATOM 603 N ARG A 39 2.641 2.812 -5.780 1.00 0.00 N ATOM 604 CA ARG A 39 3.056 3.883 -6.694 1.00 0.00 C ATOM 605 C ARG A 39 4.392 4.447 -6.225 1.00 0.00 C ATOM 606 O ARG A 39 4.917 4.024 -5.197 1.00 0.00 O ATOM 607 CB ARG A 39 1.946 4.972 -6.789 1.00 0.00 C ATOM 608 CG ARG A 39 1.384 5.466 -5.436 1.00 0.00 C ATOM 609 CD ARG A 39 0.124 6.336 -5.614 1.00 0.00 C ATOM 610 NE ARG A 39 -0.448 6.751 -4.320 1.00 0.00 N ATOM 611 CZ ARG A 39 -0.213 7.928 -3.719 1.00 0.00 C ATOM 612 NH1 ARG A 39 0.617 8.816 -4.261 1.00 0.00 N ATOM 613 NH2 ARG A 39 -0.816 8.212 -2.576 1.00 0.00 N ATOM 0 H ARG A 39 3.056 2.890 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 39 3.193 3.490 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.347 5.829 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.122 4.576 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.145 4.608 -4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.150 6.040 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.374 7.220 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.624 5.780 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.069 6.095 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.083 8.606 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.787 9.707 -3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.456 7.538 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.641 9.105 -2.115 1.00 0.00 H new ATOM 627 N ASP A 40 4.958 5.364 -7.009 1.00 0.00 N ATOM 628 CA ASP A 40 6.215 6.053 -6.652 1.00 0.00 C ATOM 629 C ASP A 40 5.832 7.331 -5.893 1.00 0.00 C ATOM 630 O ASP A 40 4.782 7.928 -6.181 1.00 0.00 O ATOM 631 CB ASP A 40 7.079 6.378 -7.908 1.00 0.00 C ATOM 632 CG ASP A 40 8.514 6.861 -7.578 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.718 8.078 -7.350 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.443 6.023 -7.563 1.00 0.00 O ATOM 0 H ASP A 40 4.568 5.655 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 40 6.831 5.405 -6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.141 5.488 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.574 7.145 -8.495 1.00 0.00 H new ATOM 639 N SER A 41 6.651 7.716 -4.909 1.00 0.00 N ATOM 640 CA SER A 41 6.402 8.889 -4.050 1.00 0.00 C ATOM 641 C SER A 41 6.220 10.204 -4.855 1.00 0.00 C ATOM 642 O SER A 41 6.784 10.371 -5.935 1.00 0.00 O ATOM 643 CB SER A 41 7.553 9.020 -3.040 1.00 0.00 C ATOM 644 OG SER A 41 7.638 7.858 -2.233 1.00 0.00 O ATOM 0 H SER A 41 7.513 7.222 -4.681 1.00 0.00 H new ATOM 0 HA SER A 41 5.459 8.728 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.494 9.172 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.395 9.896 -2.411 1.00 0.00 H new ATOM 0 HG SER A 41 6.774 7.395 -2.235 1.00 0.00 H new ATOM 650 N GLU A 42 5.397 11.111 -4.314 1.00 0.00 N ATOM 651 CA GLU A 42 5.081 12.413 -4.926 1.00 0.00 C ATOM 652 C GLU A 42 6.087 13.517 -4.500 1.00 0.00 C ATOM 653 O GLU A 42 5.904 14.685 -4.862 1.00 0.00 O ATOM 654 CB GLU A 42 3.639 12.807 -4.511 1.00 0.00 C ATOM 655 CG GLU A 42 2.555 11.771 -4.896 1.00 0.00 C ATOM 656 CD GLU A 42 1.159 12.109 -4.336 1.00 0.00 C ATOM 657 OE1 GLU A 42 0.446 12.929 -4.945 1.00 0.00 O ATOM 658 OE2 GLU A 42 0.776 11.560 -3.274 1.00 0.00 O ATOM 0 H GLU A 42 4.923 10.961 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 42 5.157 12.322 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.613 12.957 -3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.390 13.763 -4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.496 11.704 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.856 10.789 -4.532 1.00 0.00 H new ATOM 665 N SER A 43 7.131 13.146 -3.715 1.00 0.00 N ATOM 666 CA SER A 43 8.173 14.093 -3.251 1.00 0.00 C ATOM 667 C SER A 43 9.586 13.494 -3.425 1.00 0.00 C ATOM 668 O SER A 43 10.392 14.034 -4.187 1.00 0.00 O ATOM 669 CB SER A 43 7.924 14.493 -1.779 1.00 0.00 C ATOM 670 OG SER A 43 6.643 15.087 -1.628 1.00 0.00 O ATOM 0 H SER A 43 7.272 12.190 -3.389 1.00 0.00 H new ATOM 0 HA SER A 43 8.114 14.990 -3.867 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.999 13.613 -1.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.694 15.191 -1.452 1.00 0.00 H new ATOM 0 HG SER A 43 6.504 15.331 -0.689 1.00 0.00 H new ATOM 676 N VAL A 44 9.893 12.384 -2.712 1.00 0.00 N ATOM 677 CA VAL A 44 11.230 11.747 -2.793 1.00 0.00 C ATOM 678 C VAL A 44 11.293 10.754 -3.986 1.00 0.00 C ATOM 679 O VAL A 44 10.541 9.783 -4.060 1.00 0.00 O ATOM 680 CB VAL A 44 11.671 11.063 -1.437 1.00 0.00 C ATOM 681 CG1 VAL A 44 11.995 12.123 -0.361 1.00 0.00 C ATOM 682 CG2 VAL A 44 10.614 10.072 -0.919 1.00 0.00 C ATOM 0 H VAL A 44 9.242 11.916 -2.082 1.00 0.00 H new ATOM 0 HA VAL A 44 11.952 12.544 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 44 12.577 10.494 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.295 11.625 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.807 12.760 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 44 11.111 12.733 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.959 9.626 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.676 10.599 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.457 9.288 -1.659 1.00 0.00 H new ATOM 692 N ALA A 45 12.196 11.069 -4.929 1.00 0.00 N ATOM 693 CA ALA A 45 12.379 10.318 -6.189 1.00 0.00 C ATOM 694 C ALA A 45 12.937 8.898 -5.956 1.00 0.00 C ATOM 695 O ALA A 45 13.955 8.729 -5.278 1.00 0.00 O ATOM 696 CB ALA A 45 13.282 11.114 -7.147 1.00 0.00 C ATOM 0 H ALA A 45 12.830 11.863 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 45 11.396 10.192 -6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.412 10.554 -8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.820 12.077 -7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.254 11.276 -6.681 1.00 0.00 H new ATOM 702 N GLY A 46 12.258 7.894 -6.541 1.00 0.00 N ATOM 703 CA GLY A 46 12.688 6.491 -6.465 1.00 0.00 C ATOM 704 C GLY A 46 12.207 5.744 -5.227 1.00 0.00 C ATOM 705 O GLY A 46 12.632 4.609 -4.983 1.00 0.00 O ATOM 0 H GLY A 46 11.401 8.034 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.330 5.967 -7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.777 6.457 -6.493 1.00 0.00 H new ATOM 709 N ALA A 47 11.334 6.383 -4.435 1.00 0.00 N ATOM 710 CA ALA A 47 10.695 5.751 -3.260 1.00 0.00 C ATOM 711 C ALA A 47 9.271 5.315 -3.613 1.00 0.00 C ATOM 712 O ALA A 47 8.777 5.614 -4.694 1.00 0.00 O ATOM 713 CB ALA A 47 10.687 6.719 -2.081 1.00 0.00 C ATOM 0 H ALA A 47 11.048 7.350 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 47 11.267 4.869 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 47 10.214 6.243 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.711 6.991 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.130 7.616 -2.351 1.00 0.00 H new ATOM 719 N PHE A 48 8.608 4.611 -2.689 1.00 0.00 N ATOM 720 CA PHE A 48 7.238 4.104 -2.917 1.00 0.00 C ATOM 721 C PHE A 48 6.223 4.720 -1.935 1.00 0.00 C ATOM 722 O PHE A 48 6.593 5.306 -0.907 1.00 0.00 O ATOM 723 CB PHE A 48 7.207 2.557 -2.826 1.00 0.00 C ATOM 724 CG PHE A 48 8.030 1.846 -3.904 1.00 0.00 C ATOM 725 CD1 PHE A 48 7.489 1.590 -5.161 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.340 1.440 -3.663 1.00 0.00 C ATOM 727 CE1 PHE A 48 8.231 0.945 -6.137 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.076 0.795 -4.643 1.00 0.00 C ATOM 729 CZ PHE A 48 9.520 0.550 -5.877 1.00 0.00 C ATOM 0 H PHE A 48 8.993 4.376 -1.774 1.00 0.00 H new ATOM 0 HA PHE A 48 6.945 4.406 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.576 2.255 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.172 2.221 -2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.477 1.898 -5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.788 1.631 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.794 0.752 -7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.090 0.483 -4.438 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.096 0.048 -6.640 1.00 0.00 H new ATOM 739 N ALA A 49 4.947 4.625 -2.335 1.00 0.00 N ATOM 740 CA ALA A 49 3.776 4.901 -1.497 1.00 0.00 C ATOM 741 C ALA A 49 2.719 3.807 -1.768 1.00 0.00 C ATOM 742 O ALA A 49 2.579 3.346 -2.906 1.00 0.00 O ATOM 743 CB ALA A 49 3.217 6.312 -1.790 1.00 0.00 C ATOM 0 H ALA A 49 4.696 4.344 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 49 4.054 4.882 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.348 6.498 -1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.984 7.058 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.924 6.377 -2.838 1.00 0.00 H new ATOM 749 N LEU A 50 1.977 3.420 -0.725 1.00 0.00 N ATOM 750 CA LEU A 50 0.999 2.317 -0.754 1.00 0.00 C ATOM 751 C LEU A 50 -0.357 2.857 -0.283 1.00 0.00 C ATOM 752 O LEU A 50 -0.531 3.164 0.895 1.00 0.00 O ATOM 753 CB LEU A 50 1.486 1.149 0.165 1.00 0.00 C ATOM 754 CG LEU A 50 0.493 -0.048 0.377 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.112 -0.738 -0.950 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.060 -1.071 1.393 1.00 0.00 C ATOM 0 H LEU A 50 2.038 3.873 0.187 1.00 0.00 H new ATOM 0 HA LEU A 50 0.899 1.926 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.412 0.752 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.730 1.565 1.143 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.424 0.372 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.576 -1.559 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.368 -0.016 -1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.011 -1.127 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.351 -1.889 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.006 -1.465 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.222 -0.579 2.352 1.00 0.00 H new ATOM 768 N CYS A 51 -1.321 2.949 -1.204 1.00 0.00 N ATOM 769 CA CYS A 51 -2.642 3.543 -0.932 1.00 0.00 C ATOM 770 C CYS A 51 -3.653 2.394 -0.797 1.00 0.00 C ATOM 771 O CYS A 51 -3.785 1.580 -1.718 1.00 0.00 O ATOM 772 CB CYS A 51 -3.032 4.517 -2.074 1.00 0.00 C ATOM 773 SG CYS A 51 -4.512 5.503 -1.755 1.00 0.00 S ATOM 0 H CYS A 51 -1.212 2.615 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.627 4.122 -0.009 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.196 5.191 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.185 3.942 -2.987 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.743 6.281 -2.771 1.00 0.00 H new ATOM 779 N VAL A 52 -4.354 2.321 0.355 1.00 0.00 N ATOM 780 CA VAL A 52 -5.249 1.190 0.702 1.00 0.00 C ATOM 781 C VAL A 52 -6.621 1.733 1.162 1.00 0.00 C ATOM 782 O VAL A 52 -6.683 2.499 2.123 1.00 0.00 O ATOM 783 CB VAL A 52 -4.638 0.288 1.855 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.502 -0.980 2.103 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.160 -0.101 1.575 1.00 0.00 C ATOM 0 H VAL A 52 -4.317 3.044 1.073 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.363 0.575 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.650 0.892 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.055 -1.575 2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.509 -0.683 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.549 -1.573 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.785 -0.718 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.102 -0.660 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.555 0.802 1.496 1.00 0.00 H new ATOM 795 N LEU A 53 -7.710 1.326 0.470 1.00 0.00 N ATOM 796 CA LEU A 53 -9.102 1.674 0.827 1.00 0.00 C ATOM 797 C LEU A 53 -9.841 0.418 1.313 1.00 0.00 C ATOM 798 O LEU A 53 -10.026 -0.527 0.544 1.00 0.00 O ATOM 799 CB LEU A 53 -9.868 2.268 -0.397 1.00 0.00 C ATOM 800 CG LEU A 53 -11.432 2.395 -0.257 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.873 3.168 1.012 1.00 0.00 C ATOM 802 CD2 LEU A 53 -12.049 3.015 -1.525 1.00 0.00 C ATOM 0 H LEU A 53 -7.644 0.740 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.068 2.424 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.463 3.259 -0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.653 1.647 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.813 1.380 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.961 3.219 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.505 2.652 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.463 4.178 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.129 3.092 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.630 4.008 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.825 2.384 -2.385 1.00 0.00 H new ATOM 814 N TYR A 54 -10.251 0.405 2.585 1.00 0.00 N ATOM 815 CA TYR A 54 -11.201 -0.583 3.112 1.00 0.00 C ATOM 816 C TYR A 54 -12.082 0.080 4.181 1.00 0.00 C ATOM 817 O TYR A 54 -11.589 0.903 4.953 1.00 0.00 O ATOM 818 CB TYR A 54 -10.424 -1.775 3.715 1.00 0.00 C ATOM 819 CG TYR A 54 -11.304 -2.832 4.406 1.00 0.00 C ATOM 820 CD1 TYR A 54 -11.956 -3.813 3.670 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.473 -2.837 5.792 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.744 -4.753 4.280 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.262 -3.780 6.408 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.893 -4.739 5.645 1.00 0.00 C ATOM 825 OH TYR A 54 -13.676 -5.693 6.253 1.00 0.00 O ATOM 0 H TYR A 54 -9.934 1.080 3.281 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.838 -0.951 2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.854 -2.259 2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.703 -1.393 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.840 -3.835 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.976 -2.088 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.247 -5.504 3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.386 -3.769 7.481 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.678 -5.546 7.222 1.00 0.00 H new ATOM 835 N GLN A 55 -13.361 -0.342 4.231 1.00 0.00 N ATOM 836 CA GLN A 55 -14.372 0.151 5.198 1.00 0.00 C ATOM 837 C GLN A 55 -14.493 1.710 5.186 1.00 0.00 C ATOM 838 O GLN A 55 -14.760 2.335 6.220 1.00 0.00 O ATOM 839 CB GLN A 55 -14.012 -0.413 6.613 1.00 0.00 C ATOM 840 CG GLN A 55 -15.086 -0.255 7.710 1.00 0.00 C ATOM 841 CD GLN A 55 -14.660 -0.791 9.082 1.00 0.00 C ATOM 842 OE1 GLN A 55 -15.051 -0.254 10.114 1.00 0.00 O ATOM 843 NE2 GLN A 55 -13.880 -1.866 9.116 1.00 0.00 N ATOM 0 H GLN A 55 -13.730 -1.046 3.592 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.359 -0.209 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.783 -1.474 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.101 0.078 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.339 0.801 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -15.992 -0.773 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.567 -2.296 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.595 -2.261 10.012 1.00 0.00 H new ATOM 852 N LYS A 56 -14.362 2.315 3.979 1.00 0.00 N ATOM 853 CA LYS A 56 -14.313 3.789 3.778 1.00 0.00 C ATOM 854 C LYS A 56 -13.147 4.452 4.552 1.00 0.00 C ATOM 855 O LYS A 56 -13.273 5.571 5.069 1.00 0.00 O ATOM 856 CB LYS A 56 -15.681 4.438 4.127 1.00 0.00 C ATOM 857 CG LYS A 56 -16.870 3.845 3.341 1.00 0.00 C ATOM 858 CD LYS A 56 -18.219 4.480 3.736 1.00 0.00 C ATOM 859 CE LYS A 56 -19.413 3.793 3.057 1.00 0.00 C ATOM 860 NZ LYS A 56 -19.304 3.817 1.577 1.00 0.00 N ATOM 0 H LYS A 56 -14.286 1.790 3.108 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.116 3.967 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.867 4.319 5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.625 5.509 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.703 3.990 2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.915 2.770 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.340 4.426 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.212 5.537 3.469 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.478 2.760 3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -20.336 4.288 3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -20.183 3.451 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.149 4.794 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.504 3.223 1.278 1.00 0.00 H new ATOM 874 N HIS A 57 -12.009 3.742 4.619 1.00 0.00 N ATOM 875 CA HIS A 57 -10.762 4.241 5.236 1.00 0.00 C ATOM 876 C HIS A 57 -9.629 4.104 4.205 1.00 0.00 C ATOM 877 O HIS A 57 -9.152 2.991 3.937 1.00 0.00 O ATOM 878 CB HIS A 57 -10.400 3.440 6.527 1.00 0.00 C ATOM 879 CG HIS A 57 -11.293 3.644 7.731 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.817 3.607 9.024 1.00 0.00 N ATOM 881 CD2 HIS A 57 -12.626 3.841 7.847 1.00 0.00 C ATOM 882 CE1 HIS A 57 -11.813 3.779 9.868 1.00 0.00 C ATOM 883 NE2 HIS A 57 -12.921 3.920 9.178 1.00 0.00 N ATOM 0 H HIS A 57 -11.925 2.797 4.244 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.900 5.283 5.526 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.401 2.379 6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -9.381 3.699 6.813 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.331 3.921 7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.732 3.800 10.945 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.851 4.065 9.572 1.00 0.00 H new ATOM 892 N VAL A 58 -9.227 5.242 3.618 1.00 0.00 N ATOM 893 CA VAL A 58 -8.080 5.327 2.698 1.00 0.00 C ATOM 894 C VAL A 58 -6.874 5.882 3.460 1.00 0.00 C ATOM 895 O VAL A 58 -6.864 7.068 3.816 1.00 0.00 O ATOM 896 CB VAL A 58 -8.354 6.260 1.458 1.00 0.00 C ATOM 897 CG1 VAL A 58 -7.214 6.124 0.409 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.733 5.982 0.838 1.00 0.00 C ATOM 0 H VAL A 58 -9.692 6.137 3.769 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.895 4.321 2.322 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.366 7.293 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.421 6.776 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.265 6.410 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.155 5.091 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.889 6.643 -0.015 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.780 4.945 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.509 6.161 1.582 1.00 0.00 H new ATOM 908 N HIS A 59 -5.880 5.031 3.747 1.00 0.00 N ATOM 909 CA HIS A 59 -4.597 5.472 4.319 1.00 0.00 C ATOM 910 C HIS A 59 -3.503 5.259 3.265 1.00 0.00 C ATOM 911 O HIS A 59 -3.507 4.244 2.557 1.00 0.00 O ATOM 912 CB HIS A 59 -4.271 4.668 5.610 1.00 0.00 C ATOM 913 CG HIS A 59 -3.211 5.296 6.493 1.00 0.00 C ATOM 914 ND1 HIS A 59 -1.860 5.183 6.252 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.325 6.035 7.626 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.190 5.817 7.196 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.054 6.344 8.038 1.00 0.00 N ATOM 0 H HIS A 59 -5.939 4.025 3.591 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.654 6.526 4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.186 4.551 6.190 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.943 3.668 5.327 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.245 6.325 8.112 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.115 5.891 7.266 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.816 6.894 8.864 1.00 0.00 H new ATOM 926 N THR A 60 -2.568 6.206 3.173 1.00 0.00 N ATOM 927 CA THR A 60 -1.390 6.085 2.310 1.00 0.00 C ATOM 928 C THR A 60 -0.173 5.826 3.206 1.00 0.00 C ATOM 929 O THR A 60 -0.038 6.444 4.265 1.00 0.00 O ATOM 930 CB THR A 60 -1.167 7.374 1.444 1.00 0.00 C ATOM 931 OG1 THR A 60 -2.323 7.623 0.614 1.00 0.00 O ATOM 932 CG2 THR A 60 0.084 7.262 0.543 1.00 0.00 C ATOM 0 H THR A 60 -2.606 7.081 3.696 1.00 0.00 H new ATOM 0 HA THR A 60 -1.538 5.260 1.613 1.00 0.00 H new ATOM 0 HB THR A 60 -1.015 8.201 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.174 8.431 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.197 8.178 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.968 7.114 1.164 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.030 6.415 -0.134 1.00 0.00 H new ATOM 940 N TYR A 61 0.675 4.877 2.803 1.00 0.00 N ATOM 941 CA TYR A 61 1.906 4.545 3.501 1.00 0.00 C ATOM 942 C TYR A 61 3.061 4.848 2.557 1.00 0.00 C ATOM 943 O TYR A 61 3.329 4.069 1.647 1.00 0.00 O ATOM 944 CB TYR A 61 1.924 3.039 3.906 1.00 0.00 C ATOM 945 CG TYR A 61 0.841 2.656 4.925 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.431 2.224 4.518 1.00 0.00 C ATOM 947 CD2 TYR A 61 1.089 2.754 6.298 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.404 1.907 5.446 1.00 0.00 C ATOM 949 CE2 TYR A 61 0.120 2.430 7.224 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.121 2.009 6.795 1.00 0.00 C ATOM 951 OH TYR A 61 -2.093 1.717 7.718 1.00 0.00 O ATOM 0 H TYR A 61 0.517 4.312 1.968 1.00 0.00 H new ATOM 0 HA TYR A 61 1.989 5.131 4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.798 2.430 3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.902 2.796 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.652 2.138 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.057 3.090 6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.380 1.581 5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.332 2.506 8.280 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.805 0.958 8.267 1.00 0.00 H new ATOM 961 N ARG A 62 3.708 6.004 2.754 1.00 0.00 N ATOM 962 CA ARG A 62 4.981 6.322 2.092 1.00 0.00 C ATOM 963 C ARG A 62 6.029 5.318 2.570 1.00 0.00 C ATOM 964 O ARG A 62 5.912 4.773 3.679 1.00 0.00 O ATOM 965 CB ARG A 62 5.390 7.792 2.370 1.00 0.00 C ATOM 966 CG ARG A 62 4.491 8.830 1.648 1.00 0.00 C ATOM 967 CD ARG A 62 4.887 10.288 1.936 1.00 0.00 C ATOM 968 NE ARG A 62 4.694 10.674 3.344 1.00 0.00 N ATOM 969 CZ ARG A 62 5.066 11.854 3.876 1.00 0.00 C ATOM 970 NH1 ARG A 62 5.726 12.755 3.159 1.00 0.00 N ATOM 971 NH2 ARG A 62 4.788 12.121 5.139 1.00 0.00 N ATOM 0 H ARG A 62 3.367 6.741 3.372 1.00 0.00 H new ATOM 0 HA ARG A 62 4.885 6.237 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.352 7.975 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.424 7.939 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.538 8.654 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.456 8.676 1.952 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.933 10.434 1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.299 10.950 1.301 1.00 0.00 H new ATOM 0 HE ARG A 62 4.245 9.998 3.962 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.961 12.560 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.998 13.643 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.293 11.435 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.068 13.014 5.545 1.00 0.00 H new ATOM 985 N ILE A 63 7.074 5.080 1.778 1.00 0.00 N ATOM 986 CA ILE A 63 7.862 3.842 1.898 1.00 0.00 C ATOM 987 C ILE A 63 9.279 4.317 1.580 1.00 0.00 C ATOM 988 O ILE A 63 9.602 4.555 0.406 1.00 0.00 O ATOM 989 CB ILE A 63 7.427 2.676 0.925 1.00 0.00 C ATOM 990 CG1 ILE A 63 5.977 2.161 1.241 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.450 1.516 0.974 1.00 0.00 C ATOM 992 CD1 ILE A 63 5.424 1.142 0.255 1.00 0.00 C ATOM 0 H ILE A 63 7.397 5.718 1.051 1.00 0.00 H new ATOM 0 HA ILE A 63 7.735 3.392 2.883 1.00 0.00 H new ATOM 0 HB ILE A 63 7.411 3.081 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.975 1.718 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.303 3.017 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.133 0.723 0.297 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.430 1.882 0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.508 1.125 1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.419 0.849 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.387 1.583 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.069 0.264 0.239 1.00 0.00 H new ATOM 1004 N LEU A 64 10.099 4.498 2.618 1.00 0.00 N ATOM 1005 CA LEU A 64 11.323 5.311 2.531 1.00 0.00 C ATOM 1006 C LEU A 64 12.553 4.400 2.487 1.00 0.00 C ATOM 1007 O LEU A 64 12.836 3.703 3.473 1.00 0.00 O ATOM 1008 CB LEU A 64 11.428 6.309 3.734 1.00 0.00 C ATOM 1009 CG LEU A 64 10.511 7.581 3.698 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.011 7.236 3.777 1.00 0.00 C ATOM 1011 CD2 LEU A 64 10.906 8.572 4.818 1.00 0.00 C ATOM 0 H LEU A 64 9.938 4.090 3.539 1.00 0.00 H new ATOM 0 HA LEU A 64 11.278 5.898 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.206 5.759 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.463 6.642 3.806 1.00 0.00 H new ATOM 0 HG LEU A 64 10.672 8.058 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.424 8.154 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.738 6.604 2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.808 6.705 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.258 9.447 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.797 8.087 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.942 8.881 4.681 1.00 0.00 H new ATOM 1023 N PRO A 65 13.271 4.346 1.327 1.00 0.00 N ATOM 1024 CA PRO A 65 14.627 3.833 1.270 1.00 0.00 C ATOM 1025 C PRO A 65 15.608 4.932 1.708 1.00 0.00 C ATOM 1026 O PRO A 65 15.787 5.924 0.993 1.00 0.00 O ATOM 1027 CB PRO A 65 14.825 3.439 -0.233 1.00 0.00 C ATOM 1028 CG PRO A 65 13.552 3.832 -0.945 1.00 0.00 C ATOM 1029 CD PRO A 65 12.816 4.767 -0.015 1.00 0.00 C ATOM 0 HA PRO A 65 14.804 2.984 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.685 3.955 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.013 2.370 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.773 4.322 -1.894 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.947 2.954 -1.172 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.064 5.809 -0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.735 4.671 -0.121 1.00 0.00 H new ATOM 1037 N ASP A 66 16.205 4.786 2.901 1.00 0.00 N ATOM 1038 CA ASP A 66 17.244 5.710 3.372 1.00 0.00 C ATOM 1039 C ASP A 66 18.560 5.267 2.738 1.00 0.00 C ATOM 1040 O ASP A 66 18.788 4.063 2.623 1.00 0.00 O ATOM 1041 CB ASP A 66 17.314 5.733 4.929 1.00 0.00 C ATOM 1042 CG ASP A 66 17.614 4.365 5.558 1.00 0.00 C ATOM 1043 OD1 ASP A 66 16.670 3.569 5.722 1.00 0.00 O ATOM 1044 OD2 ASP A 66 18.789 4.066 5.866 1.00 0.00 O ATOM 0 H ASP A 66 15.985 4.036 3.556 1.00 0.00 H new ATOM 0 HA ASP A 66 17.018 6.734 3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.083 6.441 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.366 6.102 5.320 1.00 0.00 H new ATOM 1049 N GLY A 67 19.352 6.248 2.259 1.00 0.00 N ATOM 1050 CA GLY A 67 20.571 6.023 1.472 1.00 0.00 C ATOM 1051 C GLY A 67 21.558 4.965 1.993 1.00 0.00 C ATOM 1052 O GLY A 67 22.602 5.317 2.550 1.00 0.00 O ATOM 0 H GLY A 67 19.154 7.236 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.274 5.740 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.102 6.971 1.394 1.00 0.00 H new ATOM 1056 N GLU A 68 21.223 3.671 1.768 1.00 0.00 N ATOM 1057 CA GLU A 68 22.078 2.500 1.990 1.00 0.00 C ATOM 1058 C GLU A 68 21.617 1.414 0.988 1.00 0.00 C ATOM 1059 O GLU A 68 22.190 1.324 -0.103 1.00 0.00 O ATOM 1060 CB GLU A 68 22.067 1.977 3.466 1.00 0.00 C ATOM 1061 CG GLU A 68 22.810 2.877 4.476 1.00 0.00 C ATOM 1062 CD GLU A 68 23.037 2.215 5.836 1.00 0.00 C ATOM 1063 OE1 GLU A 68 24.060 1.518 6.008 1.00 0.00 O ATOM 1064 OE2 GLU A 68 22.184 2.352 6.733 1.00 0.00 O ATOM 0 H GLU A 68 20.303 3.413 1.410 1.00 0.00 H new ATOM 0 HA GLU A 68 23.118 2.778 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.032 1.868 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 68 22.514 0.983 3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 68 23.774 3.162 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 22.240 3.795 4.619 1.00 0.00 H new ATOM 1071 N ASP A 69 20.545 0.633 1.332 1.00 0.00 N ATOM 1072 CA ASP A 69 20.006 -0.421 0.410 1.00 0.00 C ATOM 1073 C ASP A 69 18.610 -0.980 0.842 1.00 0.00 C ATOM 1074 O ASP A 69 18.076 -1.887 0.197 1.00 0.00 O ATOM 1075 CB ASP A 69 21.056 -1.592 0.297 1.00 0.00 C ATOM 1076 CG ASP A 69 20.778 -2.590 -0.848 1.00 0.00 C ATOM 1077 OD1 ASP A 69 20.806 -2.171 -2.027 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.522 -3.783 -0.584 1.00 0.00 O ATOM 0 H ASP A 69 20.047 0.710 2.219 1.00 0.00 H new ATOM 0 HA ASP A 69 19.849 0.050 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 69 22.048 -1.162 0.155 1.00 0.00 H new ATOM 0 HB3 ASP A 69 21.077 -2.137 1.241 1.00 0.00 H new ATOM 1083 N PHE A 70 17.998 -0.426 1.907 1.00 0.00 N ATOM 1084 CA PHE A 70 16.768 -1.008 2.524 1.00 0.00 C ATOM 1085 C PHE A 70 15.574 -0.047 2.380 1.00 0.00 C ATOM 1086 O PHE A 70 15.738 1.164 2.532 1.00 0.00 O ATOM 1087 CB PHE A 70 17.023 -1.320 4.024 1.00 0.00 C ATOM 1088 CG PHE A 70 18.101 -2.377 4.267 1.00 0.00 C ATOM 1089 CD1 PHE A 70 19.456 -2.046 4.250 1.00 0.00 C ATOM 1090 CD2 PHE A 70 17.753 -3.706 4.514 1.00 0.00 C ATOM 1091 CE1 PHE A 70 20.424 -3.006 4.467 1.00 0.00 C ATOM 1092 CE2 PHE A 70 18.722 -4.659 4.741 1.00 0.00 C ATOM 1093 CZ PHE A 70 20.056 -4.311 4.720 1.00 0.00 C ATOM 0 H PHE A 70 18.328 0.424 2.365 1.00 0.00 H new ATOM 0 HA PHE A 70 16.527 -1.933 2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 70 17.311 -0.399 4.532 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.091 -1.656 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 70 19.752 -1.024 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.711 -3.991 4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 70 21.469 -2.735 4.439 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.436 -5.682 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 70 20.813 -5.060 4.902 1.00 0.00 H new ATOM 1103 N LEU A 71 14.376 -0.605 2.093 1.00 0.00 N ATOM 1104 CA LEU A 71 13.118 0.168 1.931 1.00 0.00 C ATOM 1105 C LEU A 71 12.166 -0.143 3.106 1.00 0.00 C ATOM 1106 O LEU A 71 11.645 -1.250 3.185 1.00 0.00 O ATOM 1107 CB LEU A 71 12.401 -0.197 0.592 1.00 0.00 C ATOM 1108 CG LEU A 71 13.131 0.149 -0.744 1.00 0.00 C ATOM 1109 CD1 LEU A 71 14.394 -0.707 -0.982 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.167 0.023 -1.936 1.00 0.00 C ATOM 0 H LEU A 71 14.251 -1.609 1.966 1.00 0.00 H new ATOM 0 HA LEU A 71 13.372 1.228 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.206 -1.269 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.433 0.303 0.584 1.00 0.00 H new ATOM 0 HG LEU A 71 13.464 1.183 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.856 -0.419 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.101 -0.546 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.118 -1.761 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.694 0.268 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.791 -0.999 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.331 0.710 -1.802 1.00 0.00 H new ATOM 1122 N ALA A 72 11.917 0.847 3.974 1.00 0.00 N ATOM 1123 CA ALA A 72 11.120 0.655 5.209 1.00 0.00 C ATOM 1124 C ALA A 72 9.658 1.087 5.028 1.00 0.00 C ATOM 1125 O ALA A 72 9.368 2.046 4.313 1.00 0.00 O ATOM 1126 CB ALA A 72 11.751 1.438 6.374 1.00 0.00 C ATOM 0 H ALA A 72 12.257 1.800 3.848 1.00 0.00 H new ATOM 0 HA ALA A 72 11.125 -0.412 5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.157 1.290 7.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.766 1.080 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.777 2.499 6.127 1.00 0.00 H new ATOM 1132 N VAL A 73 8.750 0.325 5.664 1.00 0.00 N ATOM 1133 CA VAL A 73 7.325 0.683 5.815 1.00 0.00 C ATOM 1134 C VAL A 73 7.066 1.033 7.286 1.00 0.00 C ATOM 1135 O VAL A 73 7.511 0.305 8.177 1.00 0.00 O ATOM 1136 CB VAL A 73 6.386 -0.500 5.383 1.00 0.00 C ATOM 1137 CG1 VAL A 73 4.882 -0.094 5.413 1.00 0.00 C ATOM 1138 CG2 VAL A 73 6.807 -1.038 3.998 1.00 0.00 C ATOM 0 H VAL A 73 8.987 -0.569 6.094 1.00 0.00 H new ATOM 0 HA VAL A 73 7.105 1.534 5.170 1.00 0.00 H new ATOM 0 HB VAL A 73 6.501 -1.303 6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.270 -0.942 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.606 0.207 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.716 0.738 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.148 -1.857 3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.736 -0.239 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.835 -1.398 4.045 1.00 0.00 H new ATOM 1148 N GLN A 74 6.296 2.102 7.541 1.00 0.00 N ATOM 1149 CA GLN A 74 6.149 2.657 8.896 1.00 0.00 C ATOM 1150 C GLN A 74 4.723 2.436 9.395 1.00 0.00 C ATOM 1151 O GLN A 74 3.754 2.742 8.691 1.00 0.00 O ATOM 1152 CB GLN A 74 6.554 4.153 8.937 1.00 0.00 C ATOM 1153 CG GLN A 74 8.039 4.401 8.595 1.00 0.00 C ATOM 1154 CD GLN A 74 9.021 3.599 9.455 1.00 0.00 C ATOM 1155 OE1 GLN A 74 8.780 3.334 10.635 1.00 0.00 O ATOM 1156 NE2 GLN A 74 10.123 3.186 8.862 1.00 0.00 N ATOM 0 H GLN A 74 5.765 2.600 6.826 1.00 0.00 H new ATOM 0 HA GLN A 74 6.828 2.132 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.931 4.709 8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.348 4.550 9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.205 4.154 7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.255 5.463 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.295 3.421 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.804 2.631 9.381 1.00 0.00 H new ATOM 1165 N THR A 75 4.616 1.889 10.616 1.00 0.00 N ATOM 1166 CA THR A 75 3.333 1.521 11.230 1.00 0.00 C ATOM 1167 C THR A 75 3.482 1.430 12.766 1.00 0.00 C ATOM 1168 O THR A 75 2.616 1.920 13.501 1.00 0.00 O ATOM 1169 CB THR A 75 2.774 0.178 10.640 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.605 -0.228 11.366 1.00 0.00 O ATOM 1171 CG2 THR A 75 3.824 -0.959 10.637 1.00 0.00 C ATOM 0 H THR A 75 5.423 1.689 11.207 1.00 0.00 H new ATOM 0 HA THR A 75 2.611 2.303 10.995 1.00 0.00 H new ATOM 0 HB THR A 75 2.514 0.370 9.599 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.448 -1.185 11.224 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.381 -1.862 10.218 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.681 -0.661 10.033 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.151 -1.155 11.658 1.00 0.00 H new ATOM 1179 N SER A 76 4.607 0.834 13.226 1.00 0.00 N ATOM 1180 CA SER A 76 4.877 0.552 14.648 1.00 0.00 C ATOM 1181 C SER A 76 3.787 -0.358 15.272 1.00 0.00 C ATOM 1182 O SER A 76 3.759 -1.541 14.926 1.00 0.00 O ATOM 1183 CB SER A 76 5.146 1.858 15.442 1.00 0.00 C ATOM 1184 OG SER A 76 6.292 2.525 14.932 1.00 0.00 O ATOM 0 H SER A 76 5.361 0.533 12.608 1.00 0.00 H new ATOM 0 HA SER A 76 5.799 -0.025 14.713 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.278 2.514 15.378 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.293 1.625 16.497 1.00 0.00 H new ATOM 0 HG SER A 76 6.446 3.347 15.443 1.00 0.00 H new ATOM 1190 N GLN A 77 2.913 0.183 16.176 1.00 0.00 N ATOM 1191 CA GLN A 77 1.784 -0.552 16.830 1.00 0.00 C ATOM 1192 C GLN A 77 2.254 -1.585 17.901 1.00 0.00 C ATOM 1193 O GLN A 77 1.667 -1.682 18.985 1.00 0.00 O ATOM 1194 CB GLN A 77 0.872 -1.241 15.764 1.00 0.00 C ATOM 1195 CG GLN A 77 -0.333 -2.025 16.327 1.00 0.00 C ATOM 1196 CD GLN A 77 -1.066 -2.865 15.270 1.00 0.00 C ATOM 1197 OE1 GLN A 77 -1.083 -2.518 14.093 1.00 0.00 O ATOM 1198 NE2 GLN A 77 -1.666 -3.973 15.684 1.00 0.00 N ATOM 0 H GLN A 77 2.975 1.156 16.475 1.00 0.00 H new ATOM 0 HA GLN A 77 1.203 0.201 17.362 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.499 -0.477 15.082 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.484 -1.924 15.174 1.00 0.00 H new ATOM 0 HG2 GLN A 77 0.012 -2.681 17.126 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.037 -1.323 16.773 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.633 -4.233 16.670 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.160 -4.565 15.017 1.00 0.00 H new ATOM 1207 N GLY A 78 3.318 -2.324 17.583 1.00 0.00 N ATOM 1208 CA GLY A 78 3.732 -3.515 18.311 1.00 0.00 C ATOM 1209 C GLY A 78 4.382 -4.508 17.365 1.00 0.00 C ATOM 1210 O GLY A 78 5.138 -5.394 17.785 1.00 0.00 O ATOM 0 H GLY A 78 3.926 -2.103 16.795 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.432 -3.242 19.101 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.869 -3.973 18.794 1.00 0.00 H new ATOM 1214 N VAL A 79 4.064 -4.343 16.063 1.00 0.00 N ATOM 1215 CA VAL A 79 4.689 -5.098 14.971 1.00 0.00 C ATOM 1216 C VAL A 79 6.016 -4.385 14.579 1.00 0.00 C ATOM 1217 O VAL A 79 6.054 -3.148 14.504 1.00 0.00 O ATOM 1218 CB VAL A 79 3.719 -5.261 13.722 1.00 0.00 C ATOM 1219 CG1 VAL A 79 2.360 -5.867 14.154 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.502 -3.946 12.930 1.00 0.00 C ATOM 0 H VAL A 79 3.361 -3.676 15.745 1.00 0.00 H new ATOM 0 HA VAL A 79 4.903 -6.111 15.312 1.00 0.00 H new ATOM 0 HB VAL A 79 4.220 -5.949 13.041 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.713 -5.969 13.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.524 -6.848 14.600 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.885 -5.211 14.884 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.830 -4.132 12.092 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.064 -3.194 13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.459 -3.586 12.554 1.00 0.00 H new ATOM 1230 N PRO A 80 7.151 -5.137 14.398 1.00 0.00 N ATOM 1231 CA PRO A 80 8.434 -4.551 13.923 1.00 0.00 C ATOM 1232 C PRO A 80 8.296 -3.913 12.522 1.00 0.00 C ATOM 1233 O PRO A 80 7.511 -4.396 11.692 1.00 0.00 O ATOM 1234 CB PRO A 80 9.409 -5.765 13.905 1.00 0.00 C ATOM 1235 CG PRO A 80 8.780 -6.774 14.821 1.00 0.00 C ATOM 1236 CD PRO A 80 7.285 -6.594 14.670 1.00 0.00 C ATOM 0 HA PRO A 80 8.781 -3.739 14.562 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.526 -6.164 12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.402 -5.480 14.252 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.081 -7.787 14.552 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.091 -6.612 15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.886 -7.196 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.750 -6.887 15.573 1.00 0.00 H new ATOM 1244 N VAL A 81 9.048 -2.820 12.267 1.00 0.00 N ATOM 1245 CA VAL A 81 9.125 -2.181 10.941 1.00 0.00 C ATOM 1246 C VAL A 81 9.854 -3.123 9.969 1.00 0.00 C ATOM 1247 O VAL A 81 10.933 -3.639 10.284 1.00 0.00 O ATOM 1248 CB VAL A 81 9.866 -0.783 11.033 1.00 0.00 C ATOM 1249 CG1 VAL A 81 10.256 -0.219 9.639 1.00 0.00 C ATOM 1250 CG2 VAL A 81 9.007 0.239 11.835 1.00 0.00 C ATOM 0 H VAL A 81 9.617 -2.358 12.976 1.00 0.00 H new ATOM 0 HA VAL A 81 8.116 -1.995 10.572 1.00 0.00 H new ATOM 0 HB VAL A 81 10.800 -0.950 11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.760 0.739 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.924 -0.919 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.357 -0.081 9.038 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.532 1.193 11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.048 0.379 11.336 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.839 -0.139 12.843 1.00 0.00 H new ATOM 1260 N ARG A 82 9.252 -3.342 8.795 1.00 0.00 N ATOM 1261 CA ARG A 82 9.725 -4.338 7.833 1.00 0.00 C ATOM 1262 C ARG A 82 10.401 -3.626 6.665 1.00 0.00 C ATOM 1263 O ARG A 82 9.777 -2.798 5.984 1.00 0.00 O ATOM 1264 CB ARG A 82 8.536 -5.213 7.350 1.00 0.00 C ATOM 1265 CG ARG A 82 7.758 -5.918 8.488 1.00 0.00 C ATOM 1266 CD ARG A 82 8.660 -6.811 9.369 1.00 0.00 C ATOM 1267 NE ARG A 82 7.876 -7.496 10.410 1.00 0.00 N ATOM 1268 CZ ARG A 82 8.353 -8.344 11.324 1.00 0.00 C ATOM 1269 NH1 ARG A 82 9.656 -8.585 11.422 1.00 0.00 N ATOM 1270 NH2 ARG A 82 7.512 -8.936 12.163 1.00 0.00 N ATOM 0 H ARG A 82 8.424 -2.833 8.487 1.00 0.00 H new ATOM 0 HA ARG A 82 10.453 -4.997 8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.844 -4.586 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.913 -5.969 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.278 -5.165 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.964 -6.527 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.166 -7.549 8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.435 -6.202 9.835 1.00 0.00 H new ATOM 0 HE ARG A 82 6.874 -7.305 10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.310 -8.119 10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.003 -9.236 12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.512 -8.741 12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.865 -9.586 12.865 1.00 0.00 H new ATOM 1284 N ARG A 83 11.699 -3.913 6.466 1.00 0.00 N ATOM 1285 CA ARG A 83 12.478 -3.371 5.354 1.00 0.00 C ATOM 1286 C ARG A 83 12.630 -4.444 4.270 1.00 0.00 C ATOM 1287 O ARG A 83 13.161 -5.526 4.530 1.00 0.00 O ATOM 1288 CB ARG A 83 13.869 -2.901 5.850 1.00 0.00 C ATOM 1289 CG ARG A 83 13.804 -1.859 6.988 1.00 0.00 C ATOM 1290 CD ARG A 83 15.191 -1.395 7.449 1.00 0.00 C ATOM 1291 NE ARG A 83 16.044 -2.523 7.879 1.00 0.00 N ATOM 1292 CZ ARG A 83 17.377 -2.490 7.982 1.00 0.00 C ATOM 1293 NH1 ARG A 83 18.050 -1.398 7.670 1.00 0.00 N ATOM 1294 NH2 ARG A 83 18.033 -3.568 8.383 1.00 0.00 N ATOM 0 H ARG A 83 12.233 -4.530 7.077 1.00 0.00 H new ATOM 0 HA ARG A 83 11.958 -2.510 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.434 -3.767 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.419 -2.475 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.230 -0.995 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.269 -2.287 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.682 -0.860 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.081 -0.690 8.273 1.00 0.00 H new ATOM 0 HE ARG A 83 15.578 -3.398 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.553 -0.568 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 83 19.067 -1.384 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 83 17.522 -4.420 8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 19.050 -3.546 8.463 1.00 0.00 H new ATOM 1308 N PHE A 84 12.154 -4.128 3.069 1.00 0.00 N ATOM 1309 CA PHE A 84 12.216 -5.033 1.905 1.00 0.00 C ATOM 1310 C PHE A 84 13.233 -4.512 0.883 1.00 0.00 C ATOM 1311 O PHE A 84 13.519 -3.312 0.830 1.00 0.00 O ATOM 1312 CB PHE A 84 10.805 -5.220 1.279 1.00 0.00 C ATOM 1313 CG PHE A 84 10.130 -3.956 0.735 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.308 -3.173 1.540 1.00 0.00 C ATOM 1315 CD2 PHE A 84 10.304 -3.566 -0.591 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.690 -2.050 1.031 1.00 0.00 C ATOM 1317 CE2 PHE A 84 9.683 -2.451 -1.096 1.00 0.00 C ATOM 1318 CZ PHE A 84 8.879 -1.690 -0.287 1.00 0.00 C ATOM 0 H PHE A 84 11.710 -3.233 2.866 1.00 0.00 H new ATOM 0 HA PHE A 84 12.553 -6.015 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.884 -5.942 0.466 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.152 -5.659 2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.153 -3.447 2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 84 10.941 -4.154 -1.235 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.056 -1.450 1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.828 -2.173 -2.130 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.394 -0.809 -0.682 1.00 0.00 H new ATOM 1328 N GLN A 85 13.786 -5.439 0.097 1.00 0.00 N ATOM 1329 CA GLN A 85 14.732 -5.133 -0.989 1.00 0.00 C ATOM 1330 C GLN A 85 14.025 -5.253 -2.357 1.00 0.00 C ATOM 1331 O GLN A 85 14.570 -4.835 -3.385 1.00 0.00 O ATOM 1332 CB GLN A 85 15.968 -6.079 -0.892 1.00 0.00 C ATOM 1333 CG GLN A 85 17.147 -5.722 -1.827 1.00 0.00 C ATOM 1334 CD GLN A 85 18.370 -6.638 -1.672 1.00 0.00 C ATOM 1335 OE1 GLN A 85 18.251 -7.816 -1.327 1.00 0.00 O ATOM 1336 NE2 GLN A 85 19.559 -6.105 -1.929 1.00 0.00 N ATOM 0 H GLN A 85 13.590 -6.435 0.194 1.00 0.00 H new ATOM 0 HA GLN A 85 15.086 -4.107 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.328 -6.076 0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.645 -7.096 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.803 -5.765 -2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.451 -4.693 -1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.629 -5.128 -2.213 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.402 -6.673 -1.843 1.00 0.00 H new ATOM 1345 N THR A 86 12.789 -5.790 -2.356 1.00 0.00 N ATOM 1346 CA THR A 86 11.966 -5.927 -3.570 1.00 0.00 C ATOM 1347 C THR A 86 10.474 -5.816 -3.193 1.00 0.00 C ATOM 1348 O THR A 86 10.059 -6.267 -2.116 1.00 0.00 O ATOM 1349 CB THR A 86 12.272 -7.262 -4.347 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.563 -7.284 -5.599 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.910 -8.516 -3.542 1.00 0.00 C ATOM 0 H THR A 86 12.335 -6.140 -1.513 1.00 0.00 H new ATOM 0 HA THR A 86 12.220 -5.116 -4.253 1.00 0.00 H new ATOM 0 HB THR A 86 13.348 -7.279 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.763 -8.118 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.143 -9.405 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.484 -8.532 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.845 -8.504 -3.309 1.00 0.00 H new ATOM 1359 N LEU A 87 9.687 -5.193 -4.094 1.00 0.00 N ATOM 1360 CA LEU A 87 8.254 -4.858 -3.872 1.00 0.00 C ATOM 1361 C LEU A 87 7.409 -6.138 -3.622 1.00 0.00 C ATOM 1362 O LEU A 87 6.414 -6.101 -2.887 1.00 0.00 O ATOM 1363 CB LEU A 87 7.696 -4.025 -5.083 1.00 0.00 C ATOM 1364 CG LEU A 87 6.618 -2.931 -4.766 1.00 0.00 C ATOM 1365 CD1 LEU A 87 5.295 -3.527 -4.269 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.165 -1.884 -3.773 1.00 0.00 C ATOM 0 H LEU A 87 10.028 -4.902 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 87 8.178 -4.244 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.538 -3.537 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.268 -4.722 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 87 6.397 -2.429 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.587 -2.723 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.884 -4.188 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.472 -4.094 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.397 -1.138 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.445 -2.377 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.040 -1.397 -4.203 1.00 0.00 H new ATOM 1378 N GLY A 88 7.823 -7.263 -4.235 1.00 0.00 N ATOM 1379 CA GLY A 88 7.195 -8.575 -3.998 1.00 0.00 C ATOM 1380 C GLY A 88 7.157 -8.992 -2.517 1.00 0.00 C ATOM 1381 O GLY A 88 6.198 -9.634 -2.073 1.00 0.00 O ATOM 0 H GLY A 88 8.594 -7.288 -4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.176 -8.554 -4.385 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.736 -9.333 -4.565 1.00 0.00 H new ATOM 1385 N GLU A 89 8.211 -8.604 -1.755 1.00 0.00 N ATOM 1386 CA GLU A 89 8.290 -8.839 -0.292 1.00 0.00 C ATOM 1387 C GLU A 89 7.255 -7.991 0.457 1.00 0.00 C ATOM 1388 O GLU A 89 6.636 -8.486 1.386 1.00 0.00 O ATOM 1389 CB GLU A 89 9.705 -8.534 0.263 1.00 0.00 C ATOM 1390 CG GLU A 89 10.804 -9.479 -0.227 1.00 0.00 C ATOM 1391 CD GLU A 89 12.176 -9.125 0.364 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.506 -9.620 1.463 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.921 -8.333 -0.257 1.00 0.00 O ATOM 0 H GLU A 89 9.025 -8.122 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 89 8.075 -9.895 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.975 -7.514 -0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.669 -8.574 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.547 -10.504 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.857 -9.439 -1.315 1.00 0.00 H new ATOM 1400 N LEU A 90 7.072 -6.720 0.027 1.00 0.00 N ATOM 1401 CA LEU A 90 6.074 -5.796 0.626 1.00 0.00 C ATOM 1402 C LEU A 90 4.677 -6.446 0.648 1.00 0.00 C ATOM 1403 O LEU A 90 4.049 -6.585 1.704 1.00 0.00 O ATOM 1404 CB LEU A 90 6.013 -4.455 -0.169 1.00 0.00 C ATOM 1405 CG LEU A 90 4.861 -3.460 0.225 1.00 0.00 C ATOM 1406 CD1 LEU A 90 5.007 -2.958 1.671 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.772 -2.277 -0.757 1.00 0.00 C ATOM 0 H LEU A 90 7.606 -6.307 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 90 6.386 -5.586 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.966 -3.941 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.914 -4.690 -1.229 1.00 0.00 H new ATOM 0 HG LEU A 90 3.928 -4.020 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.191 -2.273 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.975 -3.806 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.959 -2.439 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.965 -1.611 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.715 -1.730 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.574 -2.652 -1.761 1.00 0.00 H new ATOM 1419 N ILE A 91 4.236 -6.867 -0.540 1.00 0.00 N ATOM 1420 CA ILE A 91 2.923 -7.492 -0.739 1.00 0.00 C ATOM 1421 C ILE A 91 2.858 -8.864 -0.038 1.00 0.00 C ATOM 1422 O ILE A 91 1.821 -9.228 0.501 1.00 0.00 O ATOM 1423 CB ILE A 91 2.601 -7.632 -2.273 1.00 0.00 C ATOM 1424 CG1 ILE A 91 2.811 -6.266 -3.008 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.163 -8.173 -2.506 1.00 0.00 C ATOM 1426 CD1 ILE A 91 1.967 -5.106 -2.493 1.00 0.00 C ATOM 0 H ILE A 91 4.782 -6.784 -1.397 1.00 0.00 H new ATOM 0 HA ILE A 91 2.167 -6.847 -0.290 1.00 0.00 H new ATOM 0 HB ILE A 91 3.296 -8.359 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.863 -5.990 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.596 -6.407 -4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.975 -8.257 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.064 -9.154 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.440 -7.488 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.190 -4.209 -3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.910 -5.351 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.196 -4.927 -1.442 1.00 0.00 H new ATOM 1438 N GLY A 92 3.991 -9.594 -0.052 1.00 0.00 N ATOM 1439 CA GLY A 92 4.108 -10.901 0.609 1.00 0.00 C ATOM 1440 C GLY A 92 3.812 -10.856 2.108 1.00 0.00 C ATOM 1441 O GLY A 92 2.986 -11.627 2.616 1.00 0.00 O ATOM 0 H GLY A 92 4.845 -9.292 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.423 -11.603 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.116 -11.287 0.457 1.00 0.00 H new ATOM 1445 N LEU A 93 4.502 -9.937 2.801 1.00 0.00 N ATOM 1446 CA LEU A 93 4.369 -9.730 4.248 1.00 0.00 C ATOM 1447 C LEU A 93 2.972 -9.211 4.605 1.00 0.00 C ATOM 1448 O LEU A 93 2.249 -9.832 5.385 1.00 0.00 O ATOM 1449 CB LEU A 93 5.447 -8.716 4.731 1.00 0.00 C ATOM 1450 CG LEU A 93 6.934 -9.109 4.456 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.892 -7.970 4.850 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.310 -10.437 5.155 1.00 0.00 C ATOM 0 H LEU A 93 5.177 -9.309 2.364 1.00 0.00 H new ATOM 0 HA LEU A 93 4.514 -10.688 4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.252 -7.755 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.324 -8.570 5.804 1.00 0.00 H new ATOM 0 HG LEU A 93 7.039 -9.270 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.919 -8.272 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.655 -7.078 4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.781 -7.752 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.351 -10.679 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.175 -10.332 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.669 -11.237 4.785 1.00 0.00 H new ATOM 1464 N TYR A 94 2.608 -8.078 3.993 1.00 0.00 N ATOM 1465 CA TYR A 94 1.393 -7.318 4.342 1.00 0.00 C ATOM 1466 C TYR A 94 0.098 -7.911 3.736 1.00 0.00 C ATOM 1467 O TYR A 94 -0.996 -7.420 4.030 1.00 0.00 O ATOM 1468 CB TYR A 94 1.601 -5.828 3.969 1.00 0.00 C ATOM 1469 CG TYR A 94 2.638 -5.120 4.863 1.00 0.00 C ATOM 1470 CD1 TYR A 94 2.300 -4.676 6.146 1.00 0.00 C ATOM 1471 CD2 TYR A 94 3.948 -4.910 4.435 1.00 0.00 C ATOM 1472 CE1 TYR A 94 3.232 -4.049 6.960 1.00 0.00 C ATOM 1473 CE2 TYR A 94 4.881 -4.284 5.240 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.521 -3.854 6.505 1.00 0.00 C ATOM 1475 OH TYR A 94 5.457 -3.235 7.320 1.00 0.00 O ATOM 0 H TYR A 94 3.148 -7.657 3.237 1.00 0.00 H new ATOM 0 HA TYR A 94 1.243 -7.396 5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.921 -5.761 2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.648 -5.304 4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.294 -4.824 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.241 -5.244 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 94 2.950 -3.714 7.947 1.00 0.00 H new ATOM 0 HE2 TYR A 94 5.889 -4.131 4.883 1.00 0.00 H new ATOM 0 HH TYR A 94 5.922 -3.911 7.856 1.00 0.00 H new ATOM 1485 N ALA A 95 0.207 -8.975 2.902 1.00 0.00 N ATOM 1486 CA ALA A 95 -0.963 -9.826 2.543 1.00 0.00 C ATOM 1487 C ALA A 95 -1.568 -10.473 3.805 1.00 0.00 C ATOM 1488 O ALA A 95 -2.759 -10.769 3.860 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.556 -10.914 1.530 1.00 0.00 C ATOM 0 H ALA A 95 1.083 -9.265 2.467 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.717 -9.189 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.425 -11.524 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.173 -10.443 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.218 -11.546 1.966 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.694 -10.665 4.809 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.063 -11.140 6.145 1.00 0.00 C ATOM 1497 C GLN A 96 -1.526 -9.920 6.980 1.00 0.00 C ATOM 1498 O GLN A 96 -0.851 -8.889 6.972 1.00 0.00 O ATOM 1499 CB GLN A 96 0.147 -11.849 6.806 1.00 0.00 C ATOM 1500 CG GLN A 96 0.642 -13.098 6.036 1.00 0.00 C ATOM 1501 CD GLN A 96 1.854 -13.780 6.680 1.00 0.00 C ATOM 1502 OE1 GLN A 96 2.052 -13.722 7.896 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.657 -14.458 5.870 1.00 0.00 N ATOM 0 H GLN A 96 0.306 -10.490 4.708 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.875 -11.865 6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.969 -11.138 6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.127 -12.144 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.174 -13.818 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.899 -12.807 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.466 -14.486 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.466 -14.951 6.249 1.00 0.00 H new ATOM 1512 N PRO A 97 -2.700 -10.002 7.681 1.00 0.00 N ATOM 1513 CA PRO A 97 -3.270 -8.853 8.425 1.00 0.00 C ATOM 1514 C PRO A 97 -2.617 -8.627 9.814 1.00 0.00 C ATOM 1515 O PRO A 97 -1.624 -9.283 10.166 1.00 0.00 O ATOM 1516 CB PRO A 97 -4.761 -9.254 8.546 1.00 0.00 C ATOM 1517 CG PRO A 97 -4.732 -10.746 8.656 1.00 0.00 C ATOM 1518 CD PRO A 97 -3.575 -11.207 7.793 1.00 0.00 C ATOM 0 HA PRO A 97 -3.101 -7.902 7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.226 -8.799 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -5.332 -8.930 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -4.595 -11.058 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -5.671 -11.181 8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.045 -12.043 8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.917 -11.543 6.814 1.00 0.00 H new ATOM 1526 N ASN A 98 -3.215 -7.683 10.575 1.00 0.00 N ATOM 1527 CA ASN A 98 -2.769 -7.257 11.921 1.00 0.00 C ATOM 1528 C ASN A 98 -1.296 -6.767 11.899 1.00 0.00 C ATOM 1529 O ASN A 98 -0.409 -7.351 12.531 1.00 0.00 O ATOM 1530 CB ASN A 98 -3.040 -8.364 12.987 1.00 0.00 C ATOM 1531 CG ASN A 98 -2.848 -7.873 14.425 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -1.786 -8.035 15.021 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -3.868 -7.237 14.989 1.00 0.00 N ATOM 0 H ASN A 98 -4.046 -7.182 10.260 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.367 -6.397 12.224 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -4.059 -8.733 12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.373 -9.207 12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -3.779 -6.871 15.937 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.740 -7.115 14.474 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.058 -5.703 11.107 1.00 0.00 N ATOM 1541 CA GLN A 99 0.266 -5.062 10.945 1.00 0.00 C ATOM 1542 C GLN A 99 0.137 -3.531 10.793 1.00 0.00 C ATOM 1543 O GLN A 99 1.110 -2.875 10.417 1.00 0.00 O ATOM 1544 CB GLN A 99 1.046 -5.674 9.725 1.00 0.00 C ATOM 1545 CG GLN A 99 1.620 -7.092 9.959 1.00 0.00 C ATOM 1546 CD GLN A 99 2.435 -7.616 8.772 1.00 0.00 C ATOM 1547 OE1 GLN A 99 3.637 -7.380 8.670 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.787 -8.335 7.878 1.00 0.00 N ATOM 0 H GLN A 99 -1.789 -5.257 10.553 1.00 0.00 H new ATOM 0 HA GLN A 99 0.837 -5.262 11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.377 -5.707 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.866 -5.005 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.251 -7.080 10.848 1.00 0.00 H new ATOM 0 HG3 GLN A 99 0.799 -7.781 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.789 -8.512 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.283 -8.714 7.072 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.058 -2.964 11.077 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.293 -1.503 11.004 1.00 0.00 C ATOM 1559 C GLY A 100 -2.213 -1.126 9.850 1.00 0.00 C ATOM 1560 O GLY A 100 -2.614 0.024 9.709 1.00 0.00 O ATOM 0 H GLY A 100 -1.879 -3.499 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.730 -1.159 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.339 -0.988 10.889 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.543 -2.135 9.047 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.383 -1.999 7.851 1.00 0.00 C ATOM 1566 C LEU A 101 -4.881 -1.919 8.225 1.00 0.00 C ATOM 1567 O LEU A 101 -5.322 -2.525 9.207 1.00 0.00 O ATOM 1568 CB LEU A 101 -3.137 -3.189 6.902 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.690 -3.354 6.356 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.576 -4.624 5.492 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -1.232 -2.097 5.572 1.00 0.00 C ATOM 0 H LEU A 101 -2.229 -3.092 9.210 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.112 -1.071 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.411 -4.105 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.813 -3.093 6.053 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.021 -3.464 7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.556 -4.721 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.827 -5.497 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.264 -4.554 4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.217 -2.247 5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.902 -1.930 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.255 -1.229 6.231 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.638 -1.153 7.431 1.00 0.00 N ATOM 1584 CA VAL A 102 -7.118 -1.104 7.526 1.00 0.00 C ATOM 1585 C VAL A 102 -7.742 -2.496 7.194 1.00 0.00 C ATOM 1586 O VAL A 102 -8.823 -2.838 7.683 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.735 0.024 6.611 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.295 1.429 7.107 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.358 -0.176 5.122 1.00 0.00 C ATOM 0 H VAL A 102 -5.253 -0.549 6.705 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.367 -0.851 8.557 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.820 -0.047 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.730 2.194 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.638 1.577 8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.208 1.502 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.801 0.620 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.274 -0.150 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.733 -1.140 4.778 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.011 -3.284 6.380 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.325 -4.695 6.078 1.00 0.00 C ATOM 1601 C CYS A 103 -6.098 -5.398 5.493 1.00 0.00 C ATOM 1602 O CYS A 103 -5.100 -4.748 5.161 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.476 -4.797 5.058 1.00 0.00 C ATOM 1604 SG CYS A 103 -8.086 -4.113 3.427 1.00 0.00 S ATOM 0 H CYS A 103 -6.171 -2.952 5.906 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.623 -5.173 7.011 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -8.753 -5.845 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.348 -4.279 5.458 1.00 0.00 H new ATOM 0 HG CYS A 103 -7.359 -4.962 2.763 1.00 0.00 H new ATOM 1610 N ALA A 104 -6.199 -6.726 5.333 1.00 0.00 N ATOM 1611 CA ALA A 104 -5.212 -7.520 4.588 1.00 0.00 C ATOM 1612 C ALA A 104 -5.270 -7.124 3.102 1.00 0.00 C ATOM 1613 O ALA A 104 -6.355 -6.812 2.591 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.491 -9.023 4.768 1.00 0.00 C ATOM 0 H ALA A 104 -6.966 -7.279 5.716 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.212 -7.319 4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.752 -9.599 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.430 -9.280 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.489 -9.255 4.395 1.00 0.00 H new ATOM 1620 N LEU A 105 -4.111 -7.137 2.424 1.00 0.00 N ATOM 1621 CA LEU A 105 -4.010 -6.728 1.012 1.00 0.00 C ATOM 1622 C LEU A 105 -4.831 -7.711 0.143 1.00 0.00 C ATOM 1623 O LEU A 105 -4.393 -8.838 -0.097 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.527 -6.661 0.556 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.602 -5.648 1.312 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.183 -5.627 0.698 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.216 -4.226 1.369 1.00 0.00 C ATOM 0 H LEU A 105 -3.224 -7.429 2.834 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.420 -5.725 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.095 -7.657 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.508 -6.412 -0.505 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.518 -5.995 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.438 -4.915 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.258 -6.621 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.244 -5.329 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.539 -3.559 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.368 -3.854 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.173 -4.264 1.889 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.036 -7.279 -0.303 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.062 -8.172 -0.881 1.00 0.00 C ATOM 1641 C LEU A 106 -7.252 -7.916 -2.383 1.00 0.00 C ATOM 1642 O LEU A 106 -7.070 -8.817 -3.209 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.415 -7.972 -0.131 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.646 -8.772 -0.678 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.419 -10.300 -0.610 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.944 -8.356 0.054 1.00 0.00 C ATOM 0 H LEU A 106 -6.321 -6.300 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.722 -9.201 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.269 -8.245 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.662 -6.911 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.760 -8.518 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.297 -10.816 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.547 -10.565 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.253 -10.597 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.784 -8.925 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.841 -8.558 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.122 -7.292 -0.098 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.645 -6.686 -2.734 1.00 0.00 N ATOM 1659 CA LEU A 107 -8.087 -6.341 -4.097 1.00 0.00 C ATOM 1660 C LEU A 107 -7.081 -5.348 -4.712 1.00 0.00 C ATOM 1661 O LEU A 107 -7.157 -4.157 -4.438 1.00 0.00 O ATOM 1662 CB LEU A 107 -9.550 -5.771 -4.039 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.379 -5.736 -5.379 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -11.882 -5.512 -5.091 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -9.862 -4.670 -6.375 1.00 0.00 C ATOM 0 H LEU A 107 -7.667 -5.900 -2.084 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.111 -7.222 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -10.111 -6.361 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.498 -4.754 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.245 -6.710 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.433 -5.492 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.258 -6.323 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.015 -4.563 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.470 -4.691 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.927 -3.683 -5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.824 -4.884 -6.631 1.00 0.00 H new ATOM 1677 N PRO A 108 -6.103 -5.814 -5.538 1.00 0.00 N ATOM 1678 CA PRO A 108 -5.170 -4.911 -6.242 1.00 0.00 C ATOM 1679 C PRO A 108 -5.810 -4.333 -7.518 1.00 0.00 C ATOM 1680 O PRO A 108 -6.380 -5.082 -8.317 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.983 -5.838 -6.562 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.587 -7.202 -6.735 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.820 -7.247 -5.846 1.00 0.00 C ATOM 0 HA PRO A 108 -4.882 -4.037 -5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.466 -5.518 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.249 -5.831 -5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.854 -7.378 -7.777 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -3.877 -7.979 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.661 -7.718 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.635 -7.820 -4.938 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.742 -3.005 -7.703 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.261 -2.340 -8.908 1.00 0.00 C ATOM 1693 C VAL A 109 -5.054 -1.847 -9.741 1.00 0.00 C ATOM 1694 O VAL A 109 -4.381 -0.891 -9.295 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.224 -1.128 -8.557 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.884 -0.575 -9.846 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.289 -1.519 -7.494 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.769 -2.417 -10.824 1.00 0.00 O ATOM 0 H VAL A 109 -5.328 -2.365 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.857 -3.054 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.619 -0.337 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.542 0.256 -9.590 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.110 -0.228 -10.531 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.465 -1.364 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.926 -0.660 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.899 -2.339 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.790 -1.833 -6.577 1.00 0.00 H new