USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=15 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 96 GLN : amide:sc= 0 X(o=-0.72,f=-1.2) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.718 K(o=-0.72,f=-2) USER MOD Set 2.1: A 75 THR OG1 : rot -72:sc= 0.683 USER MOD Set 2.2: A 94 TYR OH : rot 0:sc= 0.548 USER MOD Set 3.1: A 59 HIS : no HD1:sc= -0.271 K(o=0.4,f=-1.3) USER MOD Set 3.2: A 76 SER OG : rot 10:sc= 0.669 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 80:sc= -0.333 USER MOD Single : A 15 HIS : no HD1:sc= -0.745 K(o=-0.74,f=-1.6) USER MOD Single : A 19 SER OG : rot -66:sc= 0.555 USER MOD Single : A 35 SER OG : rot -50:sc= 0.0746 USER MOD Single : A 41 SER OG : rot 92:sc= 0.289 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 9:sc= -3.5! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.319 K(o=0.32,f=-0.44) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.007) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.298 USER MOD Single : A 74 GLN : amide:sc= -0.931 K(o=-0.93,f=-0.072) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 85 GLN : amide:sc=-0.00618 X(o=-0.0062,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.7!) USER MOD Single : A 103 CYS SG : rot 114:sc= -1.33 USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -3.691 -3.113 -12.364 1.00 0.00 N ATOM 182 CA SER A 12 -2.389 -2.634 -12.850 1.00 0.00 C ATOM 183 C SER A 12 -1.382 -2.563 -11.689 1.00 0.00 C ATOM 184 O SER A 12 -0.251 -3.032 -11.834 1.00 0.00 O ATOM 185 CB SER A 12 -2.561 -1.253 -13.542 1.00 0.00 C ATOM 186 OG SER A 12 -1.332 -0.750 -14.060 1.00 0.00 O ATOM 0 HA SER A 12 -1.996 -3.335 -13.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.284 -1.343 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.970 -0.539 -12.827 1.00 0.00 H new ATOM 0 HG SER A 12 -1.488 0.118 -14.487 1.00 0.00 H new ATOM 192 N TRP A 13 -1.782 -1.833 -10.619 1.00 0.00 N ATOM 193 CA TRP A 13 -1.172 -1.898 -9.274 1.00 0.00 C ATOM 194 C TRP A 13 -0.071 -0.844 -9.121 1.00 0.00 C ATOM 195 O TRP A 13 -0.040 -0.129 -8.120 1.00 0.00 O ATOM 196 CB TRP A 13 -0.652 -3.322 -8.917 1.00 0.00 C ATOM 197 CG TRP A 13 0.039 -3.455 -7.582 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.562 -3.521 -6.361 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.448 -3.550 -7.336 1.00 0.00 C ATOM 200 NE1 TRP A 13 0.381 -3.681 -5.374 1.00 0.00 N ATOM 201 CE2 TRP A 13 1.623 -3.701 -5.955 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.579 -3.528 -8.150 1.00 0.00 C ATOM 203 CZ2 TRP A 13 2.883 -3.851 -5.377 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.828 -3.666 -7.578 1.00 0.00 C ATOM 205 CH2 TRP A 13 3.970 -3.822 -6.200 1.00 0.00 C ATOM 0 H TRP A 13 -2.555 -1.169 -10.671 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.962 -1.673 -8.557 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.496 -4.012 -8.938 1.00 0.00 H new ATOM 0 HB3 TRP A 13 0.040 -3.641 -9.696 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.627 -3.457 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.189 -3.770 -4.376 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.479 -3.404 -9.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.995 -3.986 -4.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.706 -3.653 -8.206 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.959 -3.922 -5.777 1.00 0.00 H new ATOM 216 N TYR A 14 0.793 -0.689 -10.141 1.00 0.00 N ATOM 217 CA TYR A 14 1.951 0.216 -10.052 1.00 0.00 C ATOM 218 C TYR A 14 1.695 1.411 -10.969 1.00 0.00 C ATOM 219 O TYR A 14 1.661 1.251 -12.186 1.00 0.00 O ATOM 220 CB TYR A 14 3.278 -0.494 -10.427 1.00 0.00 C ATOM 221 CG TYR A 14 4.507 0.435 -10.296 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.049 0.746 -9.040 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.094 1.038 -11.417 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.125 1.608 -8.919 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.164 1.902 -11.295 1.00 0.00 C ATOM 226 CZ TYR A 14 6.676 2.183 -10.051 1.00 0.00 C ATOM 227 OH TYR A 14 7.738 3.052 -9.937 1.00 0.00 O ATOM 0 H TYR A 14 0.711 -1.177 -11.033 1.00 0.00 H new ATOM 0 HA TYR A 14 2.064 0.548 -9.020 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.415 -1.364 -9.784 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.212 -0.861 -11.451 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.619 0.305 -8.153 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.700 0.822 -12.399 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.533 1.831 -7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.597 2.356 -12.174 1.00 0.00 H new ATOM 0 HH TYR A 14 8.567 2.542 -9.822 1.00 0.00 H new ATOM 237 N HIS A 15 1.475 2.609 -10.394 1.00 0.00 N ATOM 238 CA HIS A 15 1.148 3.820 -11.175 1.00 0.00 C ATOM 239 C HIS A 15 2.125 4.953 -10.806 1.00 0.00 C ATOM 240 O HIS A 15 2.032 5.524 -9.717 1.00 0.00 O ATOM 241 CB HIS A 15 -0.310 4.265 -10.879 1.00 0.00 C ATOM 242 CG HIS A 15 -1.356 3.186 -11.044 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.984 2.927 -12.242 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.876 2.296 -10.155 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.840 1.939 -12.084 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.794 1.535 -10.832 1.00 0.00 N ATOM 0 H HIS A 15 1.518 2.765 -9.387 1.00 0.00 H new ATOM 0 HA HIS A 15 1.241 3.596 -12.238 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.358 4.643 -9.858 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.561 5.096 -11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.614 2.206 -9.111 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.475 1.528 -12.855 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.350 0.780 -10.431 1.00 0.00 H new ATOM 255 N ARG A 16 3.070 5.259 -11.707 1.00 0.00 N ATOM 256 CA ARG A 16 4.033 6.371 -11.521 1.00 0.00 C ATOM 257 C ARG A 16 3.342 7.722 -11.754 1.00 0.00 C ATOM 258 O ARG A 16 2.378 7.773 -12.536 1.00 0.00 O ATOM 259 CB ARG A 16 5.235 6.176 -12.479 1.00 0.00 C ATOM 260 CG ARG A 16 6.334 7.262 -12.388 1.00 0.00 C ATOM 261 CD ARG A 16 7.638 6.844 -13.080 1.00 0.00 C ATOM 262 NE ARG A 16 8.175 5.589 -12.513 1.00 0.00 N ATOM 263 CZ ARG A 16 8.462 4.476 -13.212 1.00 0.00 C ATOM 264 NH1 ARG A 16 8.233 4.412 -14.521 1.00 0.00 N ATOM 265 NH2 ARG A 16 8.948 3.420 -12.581 1.00 0.00 N ATOM 0 H ARG A 16 3.194 4.750 -12.582 1.00 0.00 H new ATOM 0 HA ARG A 16 4.404 6.366 -10.496 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.688 5.206 -12.275 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.862 6.145 -13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.967 8.183 -12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.538 7.480 -11.340 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.459 6.715 -14.147 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.378 7.638 -12.974 1.00 0.00 H new ATOM 0 HE ARG A 16 8.342 5.565 -11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.834 5.214 -15.009 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.456 3.561 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.102 3.454 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.169 2.571 -13.102 1.00 0.00 H new ATOM 279 N ASP A 17 3.833 8.821 -11.099 1.00 0.00 N ATOM 280 CA ASP A 17 3.201 10.158 -11.078 1.00 0.00 C ATOM 281 C ASP A 17 1.670 10.137 -11.029 1.00 0.00 C ATOM 282 O ASP A 17 0.979 10.796 -11.799 1.00 0.00 O ATOM 283 CB ASP A 17 3.799 11.151 -12.137 1.00 0.00 C ATOM 284 CG ASP A 17 3.620 10.767 -13.615 1.00 0.00 C ATOM 285 OD1 ASP A 17 4.159 9.725 -14.034 1.00 0.00 O ATOM 286 OD2 ASP A 17 3.002 11.545 -14.383 1.00 0.00 O ATOM 0 H ASP A 17 4.700 8.788 -10.562 1.00 0.00 H new ATOM 0 HA ASP A 17 3.482 10.578 -10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.345 12.130 -11.981 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.865 11.259 -11.939 1.00 0.00 H new ATOM 291 N LEU A 18 1.171 9.373 -10.052 1.00 0.00 N ATOM 292 CA LEU A 18 -0.237 9.358 -9.666 1.00 0.00 C ATOM 293 C LEU A 18 -0.293 9.911 -8.237 1.00 0.00 C ATOM 294 O LEU A 18 0.429 9.412 -7.365 1.00 0.00 O ATOM 295 CB LEU A 18 -0.836 7.921 -9.741 1.00 0.00 C ATOM 296 CG LEU A 18 -2.382 7.818 -9.497 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.176 8.616 -10.556 1.00 0.00 C ATOM 298 CD2 LEU A 18 -2.856 6.344 -9.436 1.00 0.00 C ATOM 0 H LEU A 18 1.747 8.738 -9.500 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.835 9.964 -10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.613 7.504 -10.723 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.328 7.296 -9.007 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.584 8.266 -8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.244 8.523 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.889 9.667 -10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.956 8.222 -11.548 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.932 6.315 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.624 5.848 -10.378 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.346 5.831 -8.621 1.00 0.00 H new ATOM 310 N SER A 19 -1.095 10.966 -8.013 1.00 0.00 N ATOM 311 CA SER A 19 -1.216 11.618 -6.691 1.00 0.00 C ATOM 312 C SER A 19 -1.931 10.680 -5.697 1.00 0.00 C ATOM 313 O SER A 19 -2.659 9.785 -6.130 1.00 0.00 O ATOM 314 CB SER A 19 -2.016 12.933 -6.842 1.00 0.00 C ATOM 315 OG SER A 19 -1.570 13.700 -7.947 1.00 0.00 O ATOM 0 H SER A 19 -1.676 11.391 -8.736 1.00 0.00 H new ATOM 0 HA SER A 19 -0.220 11.838 -6.307 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.074 12.702 -6.964 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.922 13.522 -5.930 1.00 0.00 H new ATOM 0 HG SER A 19 -0.654 14.007 -7.784 1.00 0.00 H new ATOM 321 N ARG A 20 -1.706 10.877 -4.383 1.00 0.00 N ATOM 322 CA ARG A 20 -2.455 10.159 -3.324 1.00 0.00 C ATOM 323 C ARG A 20 -3.978 10.328 -3.510 1.00 0.00 C ATOM 324 O ARG A 20 -4.720 9.354 -3.509 1.00 0.00 O ATOM 325 CB ARG A 20 -2.052 10.694 -1.924 1.00 0.00 C ATOM 326 CG ARG A 20 -2.751 9.971 -0.741 1.00 0.00 C ATOM 327 CD ARG A 20 -2.632 10.733 0.595 1.00 0.00 C ATOM 328 NE ARG A 20 -3.224 12.085 0.523 1.00 0.00 N ATOM 329 CZ ARG A 20 -4.541 12.371 0.503 1.00 0.00 C ATOM 330 NH1 ARG A 20 -5.469 11.410 0.565 1.00 0.00 N ATOM 331 NH2 ARG A 20 -4.924 13.634 0.421 1.00 0.00 N ATOM 0 H ARG A 20 -1.009 11.530 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.205 9.101 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.973 10.597 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.284 11.758 -1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.805 9.833 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.318 8.977 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.127 10.163 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.581 10.813 0.873 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.578 12.873 0.485 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.187 10.432 0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.459 11.655 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.226 14.376 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.917 13.866 0.405 1.00 0.00 H new ATOM 345 N ALA A 21 -4.401 11.593 -3.636 1.00 0.00 N ATOM 346 CA ALA A 21 -5.807 11.982 -3.878 1.00 0.00 C ATOM 347 C ALA A 21 -6.398 11.267 -5.118 1.00 0.00 C ATOM 348 O ALA A 21 -7.513 10.736 -5.070 1.00 0.00 O ATOM 349 CB ALA A 21 -5.907 13.504 -4.034 1.00 0.00 C ATOM 0 H ALA A 21 -3.770 12.392 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.395 11.669 -3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.945 13.784 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.552 13.987 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.295 13.824 -4.877 1.00 0.00 H new ATOM 355 N ALA A 22 -5.620 11.241 -6.213 1.00 0.00 N ATOM 356 CA ALA A 22 -6.031 10.622 -7.497 1.00 0.00 C ATOM 357 C ALA A 22 -6.051 9.078 -7.418 1.00 0.00 C ATOM 358 O ALA A 22 -6.819 8.422 -8.125 1.00 0.00 O ATOM 359 CB ALA A 22 -5.098 11.082 -8.626 1.00 0.00 C ATOM 0 H ALA A 22 -4.685 11.648 -6.239 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.048 10.951 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.408 10.622 -9.564 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.148 12.167 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.075 10.784 -8.397 1.00 0.00 H new ATOM 365 N ALA A 23 -5.183 8.520 -6.570 1.00 0.00 N ATOM 366 CA ALA A 23 -5.068 7.065 -6.361 1.00 0.00 C ATOM 367 C ALA A 23 -6.213 6.531 -5.479 1.00 0.00 C ATOM 368 O ALA A 23 -6.801 5.496 -5.779 1.00 0.00 O ATOM 369 CB ALA A 23 -3.714 6.762 -5.724 1.00 0.00 C ATOM 0 H ALA A 23 -4.533 9.065 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.143 6.563 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.619 5.688 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.917 7.103 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.638 7.278 -4.767 1.00 0.00 H new ATOM 375 N GLU A 24 -6.457 7.227 -4.360 1.00 0.00 N ATOM 376 CA GLU A 24 -7.638 7.048 -3.481 1.00 0.00 C ATOM 377 C GLU A 24 -8.951 7.110 -4.291 1.00 0.00 C ATOM 378 O GLU A 24 -9.884 6.341 -4.054 1.00 0.00 O ATOM 379 CB GLU A 24 -7.626 8.178 -2.414 1.00 0.00 C ATOM 380 CG GLU A 24 -8.798 8.169 -1.414 1.00 0.00 C ATOM 381 CD GLU A 24 -8.812 9.407 -0.494 1.00 0.00 C ATOM 382 OE1 GLU A 24 -8.069 9.422 0.519 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.548 10.379 -0.790 1.00 0.00 O ATOM 0 H GLU A 24 -5.824 7.953 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.587 6.068 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.694 8.112 -1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.620 9.138 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.738 8.121 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.740 7.269 -0.802 1.00 0.00 H new ATOM 390 N GLU A 25 -8.961 8.042 -5.255 1.00 0.00 N ATOM 391 CA GLU A 25 -10.078 8.247 -6.191 1.00 0.00 C ATOM 392 C GLU A 25 -10.247 6.989 -7.066 1.00 0.00 C ATOM 393 O GLU A 25 -11.355 6.465 -7.207 1.00 0.00 O ATOM 394 CB GLU A 25 -9.796 9.485 -7.077 1.00 0.00 C ATOM 395 CG GLU A 25 -10.844 9.761 -8.167 1.00 0.00 C ATOM 396 CD GLU A 25 -10.461 10.924 -9.095 1.00 0.00 C ATOM 397 OE1 GLU A 25 -9.684 10.705 -10.053 1.00 0.00 O ATOM 398 OE2 GLU A 25 -10.920 12.069 -8.864 1.00 0.00 O ATOM 0 H GLU A 25 -8.183 8.684 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.999 8.419 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.723 10.363 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.824 9.357 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.984 8.860 -8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.801 9.982 -7.694 1.00 0.00 H new ATOM 405 N LEU A 26 -9.105 6.511 -7.609 1.00 0.00 N ATOM 406 CA LEU A 26 -9.040 5.317 -8.473 1.00 0.00 C ATOM 407 C LEU A 26 -9.604 4.076 -7.735 1.00 0.00 C ATOM 408 O LEU A 26 -10.410 3.336 -8.301 1.00 0.00 O ATOM 409 CB LEU A 26 -7.570 5.060 -8.928 1.00 0.00 C ATOM 410 CG LEU A 26 -7.315 3.815 -9.846 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.044 3.949 -11.206 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.794 3.554 -10.026 1.00 0.00 C ATOM 0 H LEU A 26 -8.196 6.949 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.653 5.496 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.219 5.947 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.953 4.955 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.738 2.943 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.843 3.067 -11.815 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.117 4.037 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.685 4.838 -11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.647 2.685 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.327 4.426 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.339 3.368 -9.053 1.00 0.00 H new ATOM 424 N LEU A 27 -9.196 3.900 -6.458 1.00 0.00 N ATOM 425 CA LEU A 27 -9.641 2.787 -5.594 1.00 0.00 C ATOM 426 C LEU A 27 -11.159 2.869 -5.342 1.00 0.00 C ATOM 427 O LEU A 27 -11.878 1.893 -5.547 1.00 0.00 O ATOM 428 CB LEU A 27 -8.888 2.818 -4.231 1.00 0.00 C ATOM 429 CG LEU A 27 -7.341 2.670 -4.271 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.743 2.771 -2.846 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.918 1.367 -4.988 1.00 0.00 C ATOM 0 H LEU A 27 -8.543 4.533 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.414 1.853 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.125 3.760 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.288 2.020 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.935 3.496 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.659 2.665 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.992 3.740 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.156 1.979 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.830 1.294 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.334 0.509 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.291 1.378 -6.012 1.00 0.00 H new ATOM 443 N ALA A 28 -11.616 4.068 -4.923 1.00 0.00 N ATOM 444 CA ALA A 28 -13.028 4.325 -4.539 1.00 0.00 C ATOM 445 C ALA A 28 -13.993 4.055 -5.707 1.00 0.00 C ATOM 446 O ALA A 28 -15.118 3.579 -5.509 1.00 0.00 O ATOM 447 CB ALA A 28 -13.181 5.767 -4.024 1.00 0.00 C ATOM 0 H ALA A 28 -11.018 4.890 -4.840 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.291 3.634 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.219 5.945 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.541 5.912 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.891 6.466 -4.808 1.00 0.00 H new ATOM 453 N ARG A 29 -13.526 4.348 -6.928 1.00 0.00 N ATOM 454 CA ARG A 29 -14.301 4.151 -8.162 1.00 0.00 C ATOM 455 C ARG A 29 -14.191 2.693 -8.671 1.00 0.00 C ATOM 456 O ARG A 29 -15.152 2.169 -9.249 1.00 0.00 O ATOM 457 CB ARG A 29 -13.827 5.163 -9.245 1.00 0.00 C ATOM 458 CG ARG A 29 -14.085 6.649 -8.878 1.00 0.00 C ATOM 459 CD ARG A 29 -13.564 7.632 -9.938 1.00 0.00 C ATOM 460 NE ARG A 29 -13.937 9.028 -9.645 1.00 0.00 N ATOM 461 CZ ARG A 29 -13.755 10.068 -10.472 1.00 0.00 C ATOM 462 NH1 ARG A 29 -13.179 9.910 -11.660 1.00 0.00 N ATOM 463 NH2 ARG A 29 -14.134 11.277 -10.088 1.00 0.00 N ATOM 0 H ARG A 29 -12.594 4.731 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.353 4.335 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.760 5.022 -9.417 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -14.333 4.938 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.156 6.803 -8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.609 6.869 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.478 7.554 -9.998 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.959 7.351 -10.914 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.368 9.218 -8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.867 8.985 -11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.049 10.713 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.560 11.411 -9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.000 12.075 -10.709 1.00 0.00 H new ATOM 477 N ALA A 30 -13.031 2.043 -8.449 1.00 0.00 N ATOM 478 CA ALA A 30 -12.766 0.695 -8.994 1.00 0.00 C ATOM 479 C ALA A 30 -13.212 -0.440 -8.047 1.00 0.00 C ATOM 480 O ALA A 30 -14.151 -1.170 -8.367 1.00 0.00 O ATOM 481 CB ALA A 30 -11.277 0.554 -9.323 1.00 0.00 C ATOM 0 H ALA A 30 -12.264 2.428 -7.898 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.362 0.595 -9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.086 -0.441 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.995 1.304 -10.062 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.689 0.699 -8.417 1.00 0.00 H new ATOM 487 N GLY A 31 -12.566 -0.571 -6.862 1.00 0.00 N ATOM 488 CA GLY A 31 -12.798 -1.717 -5.959 1.00 0.00 C ATOM 489 C GLY A 31 -13.543 -1.340 -4.677 1.00 0.00 C ATOM 490 O GLY A 31 -14.505 -2.010 -4.274 1.00 0.00 O ATOM 0 H GLY A 31 -11.883 0.102 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.368 -2.479 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.839 -2.162 -5.695 1.00 0.00 H new ATOM 494 N ARG A 32 -13.060 -0.247 -4.057 1.00 0.00 N ATOM 495 CA ARG A 32 -13.620 0.366 -2.830 1.00 0.00 C ATOM 496 C ARG A 32 -13.739 -0.600 -1.606 1.00 0.00 C ATOM 497 O ARG A 32 -14.487 -0.325 -0.650 1.00 0.00 O ATOM 498 CB ARG A 32 -14.974 1.056 -3.213 1.00 0.00 C ATOM 499 CG ARG A 32 -15.576 2.027 -2.161 1.00 0.00 C ATOM 500 CD ARG A 32 -16.725 2.890 -2.724 1.00 0.00 C ATOM 501 NE ARG A 32 -17.768 2.083 -3.390 1.00 0.00 N ATOM 502 CZ ARG A 32 -18.764 2.574 -4.145 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.893 3.881 -4.332 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.637 1.747 -4.708 1.00 0.00 N ATOM 0 H ARG A 32 -12.242 0.253 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.912 1.110 -2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.826 1.607 -4.141 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.708 0.277 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.944 1.451 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.789 2.681 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -17.176 3.462 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.319 3.610 -3.434 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.728 1.071 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.231 4.526 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.654 4.241 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.550 0.741 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.394 2.118 -5.282 1.00 0.00 H new ATOM 518 N ASP A 33 -12.907 -1.668 -1.563 1.00 0.00 N ATOM 519 CA ASP A 33 -13.004 -2.719 -0.527 1.00 0.00 C ATOM 520 C ASP A 33 -11.828 -3.709 -0.682 1.00 0.00 C ATOM 521 O ASP A 33 -11.838 -4.555 -1.582 1.00 0.00 O ATOM 522 CB ASP A 33 -14.367 -3.469 -0.595 1.00 0.00 C ATOM 523 CG ASP A 33 -14.501 -4.528 0.511 1.00 0.00 C ATOM 524 OD1 ASP A 33 -14.617 -4.140 1.695 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.471 -5.742 0.218 1.00 0.00 O ATOM 0 H ASP A 33 -12.158 -1.823 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.948 -2.242 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.181 -2.749 -0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.468 -3.948 -1.569 1.00 0.00 H new ATOM 530 N GLY A 34 -10.792 -3.540 0.157 1.00 0.00 N ATOM 531 CA GLY A 34 -9.563 -4.351 0.090 1.00 0.00 C ATOM 532 C GLY A 34 -8.657 -3.962 -1.076 1.00 0.00 C ATOM 533 O GLY A 34 -7.737 -4.702 -1.445 1.00 0.00 O ATOM 0 H GLY A 34 -10.782 -2.840 0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.011 -4.243 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.833 -5.403 -0.001 1.00 0.00 H new ATOM 537 N SER A 35 -8.918 -2.781 -1.642 1.00 0.00 N ATOM 538 CA SER A 35 -8.309 -2.322 -2.886 1.00 0.00 C ATOM 539 C SER A 35 -6.961 -1.661 -2.587 1.00 0.00 C ATOM 540 O SER A 35 -6.915 -0.632 -1.907 1.00 0.00 O ATOM 541 CB SER A 35 -9.281 -1.335 -3.558 1.00 0.00 C ATOM 542 OG SER A 35 -10.585 -1.895 -3.637 1.00 0.00 O ATOM 0 H SER A 35 -9.570 -2.108 -1.239 1.00 0.00 H new ATOM 0 HA SER A 35 -8.124 -3.158 -3.560 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.312 -0.404 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.924 -1.088 -4.558 1.00 0.00 H new ATOM 0 HG SER A 35 -10.532 -2.793 -4.025 1.00 0.00 H new ATOM 548 N PHE A 36 -5.865 -2.249 -3.094 1.00 0.00 N ATOM 549 CA PHE A 36 -4.509 -1.765 -2.798 1.00 0.00 C ATOM 550 C PHE A 36 -3.710 -1.505 -4.077 1.00 0.00 C ATOM 551 O PHE A 36 -4.030 -2.041 -5.143 1.00 0.00 O ATOM 552 CB PHE A 36 -3.751 -2.756 -1.874 1.00 0.00 C ATOM 553 CG PHE A 36 -3.371 -4.091 -2.514 1.00 0.00 C ATOM 554 CD1 PHE A 36 -4.256 -5.163 -2.518 1.00 0.00 C ATOM 555 CD2 PHE A 36 -2.116 -4.278 -3.103 1.00 0.00 C ATOM 556 CE1 PHE A 36 -3.901 -6.369 -3.088 1.00 0.00 C ATOM 557 CE2 PHE A 36 -1.773 -5.487 -3.667 1.00 0.00 C ATOM 558 CZ PHE A 36 -2.665 -6.530 -3.660 1.00 0.00 C ATOM 0 H PHE A 36 -5.893 -3.061 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.613 -0.816 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.842 -2.271 -1.518 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.369 -2.955 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.232 -5.051 -2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.407 -3.464 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.601 -7.191 -3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.799 -5.615 -4.116 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.394 -7.476 -4.104 1.00 0.00 H new ATOM 568 N LEU A 37 -2.664 -0.681 -3.932 1.00 0.00 N ATOM 569 CA LEU A 37 -1.749 -0.317 -5.028 1.00 0.00 C ATOM 570 C LEU A 37 -0.451 0.282 -4.454 1.00 0.00 C ATOM 571 O LEU A 37 -0.419 0.730 -3.310 1.00 0.00 O ATOM 572 CB LEU A 37 -2.411 0.709 -6.013 1.00 0.00 C ATOM 573 CG LEU A 37 -2.581 2.182 -5.500 1.00 0.00 C ATOM 574 CD1 LEU A 37 -3.222 3.087 -6.554 1.00 0.00 C ATOM 575 CD2 LEU A 37 -3.371 2.266 -4.183 1.00 0.00 C ATOM 0 H LEU A 37 -2.425 -0.243 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.520 -1.225 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.815 0.735 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.396 0.330 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.571 2.541 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.320 4.097 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.595 3.108 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.208 2.702 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.457 3.308 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.367 1.847 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.850 1.702 -3.409 1.00 0.00 H new ATOM 587 N VAL A 38 0.581 0.339 -5.297 1.00 0.00 N ATOM 588 CA VAL A 38 1.883 0.953 -5.007 1.00 0.00 C ATOM 589 C VAL A 38 2.155 1.947 -6.133 1.00 0.00 C ATOM 590 O VAL A 38 2.142 1.576 -7.297 1.00 0.00 O ATOM 591 CB VAL A 38 3.041 -0.117 -4.918 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.460 0.517 -4.997 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.897 -0.958 -3.634 1.00 0.00 C ATOM 0 H VAL A 38 0.534 -0.055 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 38 1.856 1.445 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 38 2.939 -0.764 -5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.213 -0.268 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.570 1.046 -5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.592 1.217 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.702 -1.691 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.950 -0.305 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.937 -1.474 -3.643 1.00 0.00 H new ATOM 603 N ARG A 39 2.365 3.205 -5.789 1.00 0.00 N ATOM 604 CA ARG A 39 2.575 4.267 -6.770 1.00 0.00 C ATOM 605 C ARG A 39 3.976 4.831 -6.578 1.00 0.00 C ATOM 606 O ARG A 39 4.573 4.679 -5.504 1.00 0.00 O ATOM 607 CB ARG A 39 1.501 5.383 -6.602 1.00 0.00 C ATOM 608 CG ARG A 39 1.696 6.315 -5.381 1.00 0.00 C ATOM 609 CD ARG A 39 0.451 7.155 -5.079 1.00 0.00 C ATOM 610 NE ARG A 39 -0.682 6.287 -4.753 1.00 0.00 N ATOM 611 CZ ARG A 39 -1.138 6.027 -3.524 1.00 0.00 C ATOM 612 NH1 ARG A 39 -0.628 6.618 -2.442 1.00 0.00 N ATOM 613 NH2 ARG A 39 -2.134 5.178 -3.391 1.00 0.00 N ATOM 0 H ARG A 39 2.396 3.525 -4.821 1.00 0.00 H new ATOM 0 HA ARG A 39 2.478 3.866 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.491 5.993 -7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.521 4.912 -6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.946 5.715 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.542 6.978 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.652 7.829 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.206 7.776 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.166 5.841 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.133 7.290 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.999 6.397 -1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.540 4.735 -4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.500 4.963 -2.464 1.00 0.00 H new ATOM 627 N ASP A 40 4.506 5.452 -7.623 1.00 0.00 N ATOM 628 CA ASP A 40 5.750 6.220 -7.534 1.00 0.00 C ATOM 629 C ASP A 40 5.374 7.685 -7.275 1.00 0.00 C ATOM 630 O ASP A 40 4.603 8.269 -8.055 1.00 0.00 O ATOM 631 CB ASP A 40 6.588 6.072 -8.822 1.00 0.00 C ATOM 632 CG ASP A 40 7.907 6.862 -8.782 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.821 6.457 -8.040 1.00 0.00 O ATOM 634 OD2 ASP A 40 8.039 7.888 -9.491 1.00 0.00 O ATOM 0 H ASP A 40 4.091 5.441 -8.555 1.00 0.00 H new ATOM 0 HA ASP A 40 6.369 5.845 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.809 5.017 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.996 6.409 -9.673 1.00 0.00 H new ATOM 639 N SER A 41 5.894 8.256 -6.169 1.00 0.00 N ATOM 640 CA SER A 41 5.644 9.666 -5.794 1.00 0.00 C ATOM 641 C SER A 41 6.076 10.634 -6.919 1.00 0.00 C ATOM 642 O SER A 41 7.000 10.335 -7.678 1.00 0.00 O ATOM 643 CB SER A 41 6.373 9.976 -4.477 1.00 0.00 C ATOM 644 OG SER A 41 5.916 9.137 -3.431 1.00 0.00 O ATOM 0 H SER A 41 6.496 7.758 -5.513 1.00 0.00 H new ATOM 0 HA SER A 41 4.573 9.811 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.446 9.842 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.213 11.020 -4.206 1.00 0.00 H new ATOM 0 HG SER A 41 6.480 8.337 -3.383 1.00 0.00 H new ATOM 650 N GLU A 42 5.424 11.803 -6.996 1.00 0.00 N ATOM 651 CA GLU A 42 5.464 12.655 -8.199 1.00 0.00 C ATOM 652 C GLU A 42 6.728 13.527 -8.263 1.00 0.00 C ATOM 653 O GLU A 42 7.108 13.984 -9.349 1.00 0.00 O ATOM 654 CB GLU A 42 4.193 13.519 -8.281 1.00 0.00 C ATOM 655 CG GLU A 42 2.884 12.698 -8.283 1.00 0.00 C ATOM 656 CD GLU A 42 1.657 13.505 -8.712 1.00 0.00 C ATOM 657 OE1 GLU A 42 1.248 14.420 -7.968 1.00 0.00 O ATOM 658 OE2 GLU A 42 1.102 13.252 -9.798 1.00 0.00 O ATOM 0 H GLU A 42 4.859 12.184 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 42 5.501 11.993 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.178 14.209 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.233 14.124 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.000 11.846 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.714 12.298 -7.284 1.00 0.00 H new ATOM 665 N SER A 43 7.354 13.762 -7.099 1.00 0.00 N ATOM 666 CA SER A 43 8.655 14.439 -7.001 1.00 0.00 C ATOM 667 C SER A 43 9.206 14.259 -5.575 1.00 0.00 C ATOM 668 O SER A 43 8.732 14.905 -4.630 1.00 0.00 O ATOM 669 CB SER A 43 8.566 15.945 -7.370 1.00 0.00 C ATOM 670 OG SER A 43 9.857 16.540 -7.436 1.00 0.00 O ATOM 0 H SER A 43 6.969 13.486 -6.196 1.00 0.00 H new ATOM 0 HA SER A 43 9.333 13.984 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.063 16.057 -8.330 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.960 16.467 -6.630 1.00 0.00 H new ATOM 0 HG SER A 43 9.769 17.487 -7.672 1.00 0.00 H new ATOM 676 N VAL A 44 10.180 13.349 -5.438 1.00 0.00 N ATOM 677 CA VAL A 44 10.811 13.006 -4.148 1.00 0.00 C ATOM 678 C VAL A 44 12.199 12.358 -4.404 1.00 0.00 C ATOM 679 O VAL A 44 12.537 12.029 -5.551 1.00 0.00 O ATOM 680 CB VAL A 44 9.866 12.035 -3.324 1.00 0.00 C ATOM 681 CG1 VAL A 44 9.805 10.636 -3.974 1.00 0.00 C ATOM 682 CG2 VAL A 44 10.252 11.946 -1.820 1.00 0.00 C ATOM 0 H VAL A 44 10.559 12.823 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 44 10.958 13.911 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 44 8.867 12.471 -3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.150 9.991 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.416 10.723 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.806 10.205 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.570 11.267 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.272 11.573 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.185 12.936 -1.368 1.00 0.00 H new ATOM 692 N ALA A 45 12.987 12.182 -3.329 1.00 0.00 N ATOM 693 CA ALA A 45 14.310 11.499 -3.342 1.00 0.00 C ATOM 694 C ALA A 45 14.242 9.960 -3.551 1.00 0.00 C ATOM 695 O ALA A 45 15.189 9.246 -3.193 1.00 0.00 O ATOM 696 CB ALA A 45 15.006 11.813 -2.011 1.00 0.00 C ATOM 0 H ALA A 45 12.723 12.515 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 45 14.864 11.877 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.981 11.327 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.136 12.891 -1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.396 11.445 -1.186 1.00 0.00 H new ATOM 702 N GLY A 46 13.161 9.459 -4.151 1.00 0.00 N ATOM 703 CA GLY A 46 12.946 8.022 -4.303 1.00 0.00 C ATOM 704 C GLY A 46 12.137 7.484 -3.144 1.00 0.00 C ATOM 705 O GLY A 46 12.687 7.143 -2.098 1.00 0.00 O ATOM 0 H GLY A 46 12.415 10.035 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.427 7.823 -5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.906 7.508 -4.355 1.00 0.00 H new ATOM 709 N ALA A 47 10.816 7.479 -3.337 1.00 0.00 N ATOM 710 CA ALA A 47 9.833 7.010 -2.351 1.00 0.00 C ATOM 711 C ALA A 47 8.581 6.497 -3.079 1.00 0.00 C ATOM 712 O ALA A 47 8.088 7.136 -4.024 1.00 0.00 O ATOM 713 CB ALA A 47 9.493 8.104 -1.322 1.00 0.00 C ATOM 0 H ALA A 47 10.388 7.808 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 47 10.267 6.185 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.763 7.719 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.398 8.398 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.077 8.970 -1.836 1.00 0.00 H new ATOM 719 N PHE A 48 8.083 5.335 -2.653 1.00 0.00 N ATOM 720 CA PHE A 48 6.870 4.709 -3.202 1.00 0.00 C ATOM 721 C PHE A 48 5.757 4.763 -2.153 1.00 0.00 C ATOM 722 O PHE A 48 6.028 4.622 -0.973 1.00 0.00 O ATOM 723 CB PHE A 48 7.159 3.246 -3.614 1.00 0.00 C ATOM 724 CG PHE A 48 8.287 3.136 -4.638 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.032 3.297 -6.000 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.608 2.915 -4.236 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.055 3.237 -6.924 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.630 2.850 -5.168 1.00 0.00 C ATOM 729 CZ PHE A 48 10.352 3.013 -6.512 1.00 0.00 C ATOM 0 H PHE A 48 8.515 4.791 -1.906 1.00 0.00 H new ATOM 0 HA PHE A 48 6.551 5.253 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.420 2.668 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.253 2.803 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.020 3.471 -6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.834 2.794 -3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.839 3.366 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.645 2.672 -4.845 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.149 2.965 -7.239 1.00 0.00 H new ATOM 739 N ALA A 49 4.507 4.970 -2.576 1.00 0.00 N ATOM 740 CA ALA A 49 3.366 5.079 -1.654 1.00 0.00 C ATOM 741 C ALA A 49 2.367 3.930 -1.880 1.00 0.00 C ATOM 742 O ALA A 49 1.856 3.752 -2.984 1.00 0.00 O ATOM 743 CB ALA A 49 2.688 6.442 -1.801 1.00 0.00 C ATOM 0 H ALA A 49 4.255 5.067 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 49 3.738 4.996 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.846 6.506 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.404 7.231 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.330 6.562 -2.823 1.00 0.00 H new ATOM 749 N LEU A 50 2.065 3.200 -0.805 1.00 0.00 N ATOM 750 CA LEU A 50 1.148 2.053 -0.800 1.00 0.00 C ATOM 751 C LEU A 50 -0.151 2.523 -0.129 1.00 0.00 C ATOM 752 O LEU A 50 -0.092 3.198 0.892 1.00 0.00 O ATOM 753 CB LEU A 50 1.813 0.873 -0.014 1.00 0.00 C ATOM 754 CG LEU A 50 0.924 -0.379 0.342 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.421 -1.136 -0.902 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.664 -1.336 1.317 1.00 0.00 C ATOM 0 H LEU A 50 2.462 3.394 0.114 1.00 0.00 H new ATOM 0 HA LEU A 50 0.929 1.694 -1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.664 0.522 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.210 1.275 0.918 1.00 0.00 H new ATOM 0 HG LEU A 50 0.039 0.009 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.185 -1.987 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.182 -0.467 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.273 -1.491 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.025 -2.190 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.586 -1.686 0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.900 -0.805 2.239 1.00 0.00 H new ATOM 768 N CYS A 51 -1.313 2.257 -0.732 1.00 0.00 N ATOM 769 CA CYS A 51 -2.621 2.496 -0.080 1.00 0.00 C ATOM 770 C CYS A 51 -3.435 1.212 -0.054 1.00 0.00 C ATOM 771 O CYS A 51 -3.386 0.442 -1.004 1.00 0.00 O ATOM 772 CB CYS A 51 -3.420 3.614 -0.796 1.00 0.00 C ATOM 773 SG CYS A 51 -2.743 5.266 -0.550 1.00 0.00 S ATOM 0 H CYS A 51 -1.383 1.874 -1.675 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.427 2.824 0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.449 3.399 -1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.450 3.597 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.586 5.178 0.036 1.00 0.00 H new ATOM 779 N VAL A 52 -4.151 0.986 1.059 1.00 0.00 N ATOM 780 CA VAL A 52 -5.155 -0.082 1.189 1.00 0.00 C ATOM 781 C VAL A 52 -6.467 0.582 1.638 1.00 0.00 C ATOM 782 O VAL A 52 -6.521 1.175 2.731 1.00 0.00 O ATOM 783 CB VAL A 52 -4.723 -1.198 2.222 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.811 -2.303 2.381 1.00 0.00 C ATOM 785 CG2 VAL A 52 -3.348 -1.814 1.846 1.00 0.00 C ATOM 0 H VAL A 52 -4.048 1.547 1.905 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.269 -0.587 0.230 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.618 -0.710 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.471 -3.048 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.738 -1.853 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.986 -2.782 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.080 -2.578 2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.410 -2.264 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.588 -1.033 1.843 1.00 0.00 H new ATOM 795 N LEU A 53 -7.487 0.532 0.769 1.00 0.00 N ATOM 796 CA LEU A 53 -8.841 1.047 1.045 1.00 0.00 C ATOM 797 C LEU A 53 -9.749 -0.126 1.438 1.00 0.00 C ATOM 798 O LEU A 53 -9.692 -1.173 0.819 1.00 0.00 O ATOM 799 CB LEU A 53 -9.402 1.792 -0.214 1.00 0.00 C ATOM 800 CG LEU A 53 -10.949 2.099 -0.264 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.467 2.865 0.972 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.317 2.849 -1.563 1.00 0.00 C ATOM 0 H LEU A 53 -7.395 0.126 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.806 1.761 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.870 2.739 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.151 1.198 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.449 1.131 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.538 3.041 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.281 2.275 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.948 3.820 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.388 3.050 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.770 3.791 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.053 2.236 -2.425 1.00 0.00 H new ATOM 814 N TYR A 54 -10.583 0.093 2.462 1.00 0.00 N ATOM 815 CA TYR A 54 -11.543 -0.878 2.984 1.00 0.00 C ATOM 816 C TYR A 54 -12.746 -0.109 3.541 1.00 0.00 C ATOM 817 O TYR A 54 -12.656 0.461 4.623 1.00 0.00 O ATOM 818 CB TYR A 54 -10.877 -1.738 4.086 1.00 0.00 C ATOM 819 CG TYR A 54 -11.839 -2.672 4.846 1.00 0.00 C ATOM 820 CD1 TYR A 54 -12.494 -3.719 4.195 1.00 0.00 C ATOM 821 CD2 TYR A 54 -12.094 -2.495 6.213 1.00 0.00 C ATOM 822 CE1 TYR A 54 -13.362 -4.550 4.873 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.962 -3.330 6.889 1.00 0.00 C ATOM 824 CZ TYR A 54 -13.592 -4.356 6.214 1.00 0.00 C ATOM 825 OH TYR A 54 -14.459 -5.196 6.881 1.00 0.00 O ATOM 0 H TYR A 54 -10.606 0.981 2.964 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.875 -1.550 2.193 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.091 -2.341 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.395 -1.074 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.318 -3.881 3.142 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.604 -1.693 6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.861 -5.353 4.350 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -13.147 -3.181 7.942 1.00 0.00 H new ATOM 0 HH TYR A 54 -14.514 -4.929 7.822 1.00 0.00 H new ATOM 835 N GLN A 55 -13.856 -0.088 2.780 1.00 0.00 N ATOM 836 CA GLN A 55 -15.125 0.564 3.190 1.00 0.00 C ATOM 837 C GLN A 55 -14.916 2.011 3.717 1.00 0.00 C ATOM 838 O GLN A 55 -15.068 2.268 4.916 1.00 0.00 O ATOM 839 CB GLN A 55 -15.856 -0.327 4.249 1.00 0.00 C ATOM 840 CG GLN A 55 -16.261 -1.725 3.740 1.00 0.00 C ATOM 841 CD GLN A 55 -17.280 -1.680 2.597 1.00 0.00 C ATOM 842 OE1 GLN A 55 -18.103 -0.767 2.515 1.00 0.00 O ATOM 843 NE2 GLN A 55 -17.257 -2.669 1.722 1.00 0.00 N ATOM 0 H GLN A 55 -13.903 -0.523 1.859 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.752 0.657 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -15.207 -0.444 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.751 0.195 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.370 -2.254 3.403 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.678 -2.299 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.565 -3.413 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -17.931 -2.688 0.956 1.00 0.00 H new ATOM 852 N LYS A 56 -14.539 2.938 2.803 1.00 0.00 N ATOM 853 CA LYS A 56 -14.243 4.371 3.128 1.00 0.00 C ATOM 854 C LYS A 56 -13.040 4.566 4.105 1.00 0.00 C ATOM 855 O LYS A 56 -12.820 5.680 4.597 1.00 0.00 O ATOM 856 CB LYS A 56 -15.511 5.090 3.684 1.00 0.00 C ATOM 857 CG LYS A 56 -16.736 5.068 2.740 1.00 0.00 C ATOM 858 CD LYS A 56 -17.980 5.758 3.356 1.00 0.00 C ATOM 859 CE LYS A 56 -18.427 5.117 4.683 1.00 0.00 C ATOM 860 NZ LYS A 56 -19.589 5.814 5.293 1.00 0.00 N ATOM 0 H LYS A 56 -14.429 2.720 1.813 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.947 4.828 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.790 4.625 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.257 6.127 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.477 5.564 1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.983 4.035 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.758 6.812 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -18.803 5.715 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.686 4.073 4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.593 5.126 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.849 5.343 6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.337 6.804 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.396 5.784 4.637 1.00 0.00 H new ATOM 874 N HIS A 57 -12.241 3.502 4.336 1.00 0.00 N ATOM 875 CA HIS A 57 -11.029 3.571 5.201 1.00 0.00 C ATOM 876 C HIS A 57 -9.805 3.431 4.295 1.00 0.00 C ATOM 877 O HIS A 57 -9.464 2.325 3.888 1.00 0.00 O ATOM 878 CB HIS A 57 -11.039 2.448 6.289 1.00 0.00 C ATOM 879 CG HIS A 57 -9.865 2.448 7.255 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.001 2.728 8.598 1.00 0.00 N ATOM 881 CD2 HIS A 57 -8.546 2.171 7.076 1.00 0.00 C ATOM 882 CE1 HIS A 57 -8.829 2.628 9.194 1.00 0.00 C ATOM 883 NE2 HIS A 57 -7.929 2.293 8.295 1.00 0.00 N ATOM 0 H HIS A 57 -12.409 2.579 3.937 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.008 4.523 5.731 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.959 2.537 6.866 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.070 1.482 5.786 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.071 1.904 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.640 2.793 10.244 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.936 2.148 8.475 1.00 0.00 H new ATOM 892 N VAL A 58 -9.140 4.553 4.006 1.00 0.00 N ATOM 893 CA VAL A 58 -7.928 4.570 3.176 1.00 0.00 C ATOM 894 C VAL A 58 -6.750 4.849 4.102 1.00 0.00 C ATOM 895 O VAL A 58 -6.758 5.862 4.804 1.00 0.00 O ATOM 896 CB VAL A 58 -7.981 5.673 2.043 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.921 5.396 0.944 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.398 5.804 1.439 1.00 0.00 C ATOM 0 H VAL A 58 -9.424 5.474 4.339 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.833 3.609 2.671 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.739 6.630 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.980 6.170 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.926 5.401 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.111 4.423 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.394 6.571 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.698 4.851 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.103 6.083 2.222 1.00 0.00 H new ATOM 908 N HIS A 59 -5.775 3.936 4.156 1.00 0.00 N ATOM 909 CA HIS A 59 -4.515 4.170 4.889 1.00 0.00 C ATOM 910 C HIS A 59 -3.350 4.209 3.890 1.00 0.00 C ATOM 911 O HIS A 59 -3.311 3.412 2.950 1.00 0.00 O ATOM 912 CB HIS A 59 -4.278 3.085 5.976 1.00 0.00 C ATOM 913 CG HIS A 59 -3.236 3.472 7.005 1.00 0.00 C ATOM 914 ND1 HIS A 59 -1.899 3.607 6.707 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.354 3.791 8.317 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.242 3.990 7.785 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.102 4.108 8.776 1.00 0.00 N ATOM 0 H HIS A 59 -5.829 3.024 3.702 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.582 5.128 5.405 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.220 2.881 6.485 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.971 2.158 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.267 3.795 8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.180 4.175 7.845 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.873 4.389 9.729 1.00 0.00 H new ATOM 926 N THR A 60 -2.403 5.126 4.125 1.00 0.00 N ATOM 927 CA THR A 60 -1.230 5.350 3.271 1.00 0.00 C ATOM 928 C THR A 60 0.031 4.938 4.035 1.00 0.00 C ATOM 929 O THR A 60 0.167 5.240 5.230 1.00 0.00 O ATOM 930 CB THR A 60 -1.114 6.856 2.862 1.00 0.00 C ATOM 931 OG1 THR A 60 -1.059 7.691 4.035 1.00 0.00 O ATOM 932 CG2 THR A 60 -2.293 7.311 2.000 1.00 0.00 C ATOM 0 H THR A 60 -2.432 5.747 4.933 1.00 0.00 H new ATOM 0 HA THR A 60 -1.339 4.753 2.366 1.00 0.00 H new ATOM 0 HB THR A 60 -0.197 6.953 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.985 8.630 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.169 8.362 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.329 6.714 1.089 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.222 7.181 2.556 1.00 0.00 H new ATOM 940 N TYR A 61 0.930 4.235 3.347 1.00 0.00 N ATOM 941 CA TYR A 61 2.205 3.776 3.891 1.00 0.00 C ATOM 942 C TYR A 61 3.263 4.222 2.878 1.00 0.00 C ATOM 943 O TYR A 61 3.468 3.555 1.853 1.00 0.00 O ATOM 944 CB TYR A 61 2.226 2.206 4.063 1.00 0.00 C ATOM 945 CG TYR A 61 0.848 1.574 4.363 1.00 0.00 C ATOM 946 CD1 TYR A 61 -0.062 1.335 3.333 1.00 0.00 C ATOM 947 CD2 TYR A 61 0.445 1.266 5.657 1.00 0.00 C ATOM 948 CE1 TYR A 61 -1.301 0.820 3.573 1.00 0.00 C ATOM 949 CE2 TYR A 61 -0.810 0.748 5.906 1.00 0.00 C ATOM 950 CZ TYR A 61 -1.674 0.532 4.852 1.00 0.00 C ATOM 951 OH TYR A 61 -2.922 0.018 5.075 1.00 0.00 O ATOM 0 H TYR A 61 0.788 3.963 2.374 1.00 0.00 H new ATOM 0 HA TYR A 61 2.386 4.192 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.626 1.759 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.912 1.951 4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.223 1.564 2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.124 1.434 6.480 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.983 0.641 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.113 0.514 6.916 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.045 -0.138 6.035 1.00 0.00 H new ATOM 961 N ARG A 62 3.908 5.370 3.140 1.00 0.00 N ATOM 962 CA ARG A 62 4.926 5.914 2.240 1.00 0.00 C ATOM 963 C ARG A 62 6.250 5.180 2.511 1.00 0.00 C ATOM 964 O ARG A 62 6.909 5.376 3.537 1.00 0.00 O ATOM 965 CB ARG A 62 5.052 7.463 2.373 1.00 0.00 C ATOM 966 CG ARG A 62 5.388 7.991 3.779 1.00 0.00 C ATOM 967 CD ARG A 62 5.541 9.516 3.812 1.00 0.00 C ATOM 968 NE ARG A 62 6.031 9.988 5.117 1.00 0.00 N ATOM 969 CZ ARG A 62 5.765 11.181 5.666 1.00 0.00 C ATOM 970 NH1 ARG A 62 4.992 12.071 5.051 1.00 0.00 N ATOM 971 NH2 ARG A 62 6.301 11.487 6.827 1.00 0.00 N ATOM 0 H ARG A 62 3.739 5.937 3.971 1.00 0.00 H new ATOM 0 HA ARG A 62 4.635 5.744 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.823 7.806 1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.113 7.914 2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.602 7.693 4.473 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.312 7.529 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.232 9.829 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.580 9.983 3.594 1.00 0.00 H new ATOM 0 HE ARG A 62 6.624 9.352 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.587 11.852 4.141 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.804 12.973 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.911 10.820 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.107 12.392 7.256 1.00 0.00 H new ATOM 985 N ILE A 63 6.534 4.228 1.633 1.00 0.00 N ATOM 986 CA ILE A 63 7.789 3.489 1.608 1.00 0.00 C ATOM 987 C ILE A 63 8.916 4.402 1.103 1.00 0.00 C ATOM 988 O ILE A 63 8.765 5.045 0.072 1.00 0.00 O ATOM 989 CB ILE A 63 7.673 2.267 0.616 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.319 1.494 0.785 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.872 1.315 0.776 1.00 0.00 C ATOM 992 CD1 ILE A 63 6.043 0.436 -0.278 1.00 0.00 C ATOM 0 H ILE A 63 5.883 3.941 0.902 1.00 0.00 H new ATOM 0 HA ILE A 63 8.005 3.138 2.617 1.00 0.00 H new ATOM 0 HB ILE A 63 7.686 2.673 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.312 1.014 1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.503 2.216 0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.769 0.481 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.795 1.854 0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.902 0.936 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.085 -0.043 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.012 0.907 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.834 -0.314 -0.259 1.00 0.00 H new ATOM 1004 N LEU A 64 10.022 4.472 1.845 1.00 0.00 N ATOM 1005 CA LEU A 64 11.248 5.145 1.395 1.00 0.00 C ATOM 1006 C LEU A 64 12.455 4.272 1.778 1.00 0.00 C ATOM 1007 O LEU A 64 12.468 3.687 2.871 1.00 0.00 O ATOM 1008 CB LEU A 64 11.370 6.639 1.882 1.00 0.00 C ATOM 1009 CG LEU A 64 11.261 7.011 3.404 1.00 0.00 C ATOM 1010 CD1 LEU A 64 9.941 6.547 4.019 1.00 0.00 C ATOM 1011 CD2 LEU A 64 12.489 6.571 4.237 1.00 0.00 C ATOM 0 H LEU A 64 10.096 4.064 2.777 1.00 0.00 H new ATOM 0 HA LEU A 64 11.213 5.243 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.333 7.010 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 64 10.601 7.208 1.360 1.00 0.00 H new ATOM 0 HG LEU A 64 11.262 8.100 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.912 6.827 5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.110 7.019 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.858 5.464 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.345 6.860 5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.603 5.489 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.385 7.054 3.847 1.00 0.00 H new ATOM 1023 N PRO A 65 13.442 4.090 0.848 1.00 0.00 N ATOM 1024 CA PRO A 65 14.669 3.316 1.125 1.00 0.00 C ATOM 1025 C PRO A 65 15.544 3.903 2.251 1.00 0.00 C ATOM 1026 O PRO A 65 15.824 3.216 3.240 1.00 0.00 O ATOM 1027 CB PRO A 65 15.412 3.304 -0.251 1.00 0.00 C ATOM 1028 CG PRO A 65 14.337 3.569 -1.257 1.00 0.00 C ATOM 1029 CD PRO A 65 13.410 4.545 -0.571 1.00 0.00 C ATOM 0 HA PRO A 65 14.434 2.320 1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.189 4.067 -0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 65 15.898 2.345 -0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.747 3.990 -2.175 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.815 2.652 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.757 5.573 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.403 4.506 -0.986 1.00 0.00 H new ATOM 1037 N ASP A 66 16.032 5.135 2.009 1.00 0.00 N ATOM 1038 CA ASP A 66 16.810 5.955 2.962 1.00 0.00 C ATOM 1039 C ASP A 66 18.300 5.612 2.824 1.00 0.00 C ATOM 1040 O ASP A 66 19.079 6.438 2.332 1.00 0.00 O ATOM 1041 CB ASP A 66 16.323 5.864 4.445 1.00 0.00 C ATOM 1042 CG ASP A 66 17.150 6.740 5.407 1.00 0.00 C ATOM 1043 OD1 ASP A 66 16.860 7.951 5.518 1.00 0.00 O ATOM 1044 OD2 ASP A 66 18.106 6.224 6.042 1.00 0.00 O ATOM 0 H ASP A 66 15.891 5.604 1.114 1.00 0.00 H new ATOM 0 HA ASP A 66 16.644 6.999 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.277 6.165 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.372 4.826 4.775 1.00 0.00 H new ATOM 1049 N GLY A 67 18.703 4.387 3.245 1.00 0.00 N ATOM 1050 CA GLY A 67 20.051 3.869 2.955 1.00 0.00 C ATOM 1051 C GLY A 67 20.162 3.178 1.582 1.00 0.00 C ATOM 1052 O GLY A 67 21.126 2.435 1.344 1.00 0.00 O ATOM 0 H GLY A 67 18.115 3.749 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.765 4.692 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.335 3.161 3.733 1.00 0.00 H new ATOM 1056 N GLU A 68 19.162 3.431 0.688 1.00 0.00 N ATOM 1057 CA GLU A 68 19.115 2.969 -0.731 1.00 0.00 C ATOM 1058 C GLU A 68 18.995 1.431 -0.960 1.00 0.00 C ATOM 1059 O GLU A 68 18.394 1.020 -1.960 1.00 0.00 O ATOM 1060 CB GLU A 68 20.307 3.554 -1.547 1.00 0.00 C ATOM 1061 CG GLU A 68 20.311 5.096 -1.642 1.00 0.00 C ATOM 1062 CD GLU A 68 21.491 5.644 -2.467 1.00 0.00 C ATOM 1063 OE1 GLU A 68 22.589 5.826 -1.905 1.00 0.00 O ATOM 1064 OE2 GLU A 68 21.334 5.875 -3.691 1.00 0.00 O ATOM 0 H GLU A 68 18.341 3.979 0.944 1.00 0.00 H new ATOM 0 HA GLU A 68 18.169 3.365 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 68 21.241 3.227 -1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 68 20.282 3.139 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.375 5.430 -2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.351 5.517 -0.637 1.00 0.00 H new ATOM 1071 N ASP A 69 19.539 0.584 -0.065 1.00 0.00 N ATOM 1072 CA ASP A 69 19.652 -0.880 -0.300 1.00 0.00 C ATOM 1073 C ASP A 69 18.300 -1.577 -0.106 1.00 0.00 C ATOM 1074 O ASP A 69 17.893 -2.433 -0.902 1.00 0.00 O ATOM 1075 CB ASP A 69 20.708 -1.469 0.679 1.00 0.00 C ATOM 1076 CG ASP A 69 20.907 -2.997 0.544 1.00 0.00 C ATOM 1077 OD1 ASP A 69 21.670 -3.419 -0.348 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.310 -3.772 1.325 1.00 0.00 O ATOM 0 H ASP A 69 19.911 0.886 0.835 1.00 0.00 H new ATOM 0 HA ASP A 69 19.966 -1.051 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.663 -0.972 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 69 20.408 -1.241 1.702 1.00 0.00 H new ATOM 1083 N PHE A 70 17.638 -1.195 0.977 1.00 0.00 N ATOM 1084 CA PHE A 70 16.327 -1.708 1.383 1.00 0.00 C ATOM 1085 C PHE A 70 15.287 -0.612 1.159 1.00 0.00 C ATOM 1086 O PHE A 70 15.632 0.547 1.300 1.00 0.00 O ATOM 1087 CB PHE A 70 16.371 -2.102 2.895 1.00 0.00 C ATOM 1088 CG PHE A 70 16.601 -0.923 3.865 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.865 -0.351 4.018 1.00 0.00 C ATOM 1090 CD2 PHE A 70 15.548 -0.374 4.603 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.069 0.719 4.869 1.00 0.00 C ATOM 1092 CE2 PHE A 70 15.760 0.696 5.457 1.00 0.00 C ATOM 1093 CZ PHE A 70 17.017 1.240 5.586 1.00 0.00 C ATOM 0 H PHE A 70 18.007 -0.496 1.622 1.00 0.00 H new ATOM 0 HA PHE A 70 16.066 -2.589 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.432 -2.591 3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 70 17.164 -2.835 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 70 18.699 -0.752 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 70 14.556 -0.790 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 70 19.056 1.146 4.971 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.936 1.104 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.178 2.076 6.250 1.00 0.00 H new ATOM 1103 N LEU A 71 14.050 -0.967 0.772 1.00 0.00 N ATOM 1104 CA LEU A 71 12.890 -0.044 0.841 1.00 0.00 C ATOM 1105 C LEU A 71 12.069 -0.360 2.119 1.00 0.00 C ATOM 1106 O LEU A 71 11.588 -1.486 2.297 1.00 0.00 O ATOM 1107 CB LEU A 71 12.002 -0.077 -0.459 1.00 0.00 C ATOM 1108 CG LEU A 71 11.131 -1.357 -0.772 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.057 -1.058 -1.845 1.00 0.00 C ATOM 1110 CD2 LEU A 71 11.990 -2.553 -1.211 1.00 0.00 C ATOM 0 H LEU A 71 13.821 -1.891 0.405 1.00 0.00 H new ATOM 0 HA LEU A 71 13.266 0.978 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.325 0.776 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.663 0.085 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 71 10.634 -1.626 0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.475 -1.959 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.396 -0.268 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.543 -0.736 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.346 -3.408 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.543 -2.292 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.692 -2.808 -0.417 1.00 0.00 H new ATOM 1122 N ALA A 72 11.950 0.630 3.032 1.00 0.00 N ATOM 1123 CA ALA A 72 11.285 0.457 4.345 1.00 0.00 C ATOM 1124 C ALA A 72 9.845 0.982 4.297 1.00 0.00 C ATOM 1125 O ALA A 72 9.616 2.159 4.013 1.00 0.00 O ATOM 1126 CB ALA A 72 12.087 1.182 5.441 1.00 0.00 C ATOM 0 H ALA A 72 12.312 1.571 2.880 1.00 0.00 H new ATOM 0 HA ALA A 72 11.250 -0.607 4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.591 1.050 6.403 1.00 0.00 H new ATOM 0 HB2 ALA A 72 13.093 0.766 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.145 2.245 5.206 1.00 0.00 H new ATOM 1132 N VAL A 73 8.885 0.072 4.514 1.00 0.00 N ATOM 1133 CA VAL A 73 7.446 0.384 4.557 1.00 0.00 C ATOM 1134 C VAL A 73 7.023 0.744 5.980 1.00 0.00 C ATOM 1135 O VAL A 73 7.055 -0.119 6.868 1.00 0.00 O ATOM 1136 CB VAL A 73 6.579 -0.835 4.073 1.00 0.00 C ATOM 1137 CG1 VAL A 73 5.088 -0.443 3.858 1.00 0.00 C ATOM 1138 CG2 VAL A 73 7.203 -1.479 2.818 1.00 0.00 C ATOM 0 H VAL A 73 9.087 -0.916 4.667 1.00 0.00 H new ATOM 0 HA VAL A 73 7.279 1.229 3.889 1.00 0.00 H new ATOM 0 HB VAL A 73 6.581 -1.584 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.527 -1.316 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.669 -0.079 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.023 0.341 3.103 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.589 -2.321 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.253 -0.741 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.208 -1.831 3.051 1.00 0.00 H new ATOM 1148 N GLN A 74 6.576 1.991 6.181 1.00 0.00 N ATOM 1149 CA GLN A 74 6.107 2.472 7.485 1.00 0.00 C ATOM 1150 C GLN A 74 4.602 2.202 7.570 1.00 0.00 C ATOM 1151 O GLN A 74 3.791 2.985 7.056 1.00 0.00 O ATOM 1152 CB GLN A 74 6.433 3.987 7.696 1.00 0.00 C ATOM 1153 CG GLN A 74 7.908 4.290 8.058 1.00 0.00 C ATOM 1154 CD GLN A 74 8.940 3.956 6.971 1.00 0.00 C ATOM 1155 OE1 GLN A 74 10.069 3.564 7.277 1.00 0.00 O ATOM 1156 NE2 GLN A 74 8.590 4.155 5.705 1.00 0.00 N ATOM 0 H GLN A 74 6.530 2.694 5.443 1.00 0.00 H new ATOM 0 HA GLN A 74 6.626 1.941 8.283 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.178 4.529 6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.792 4.375 8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.993 5.349 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.164 3.734 8.960 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.649 4.480 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.262 3.983 4.957 1.00 0.00 H new ATOM 1165 N THR A 75 4.270 1.025 8.127 1.00 0.00 N ATOM 1166 CA THR A 75 2.886 0.578 8.349 1.00 0.00 C ATOM 1167 C THR A 75 2.119 1.657 9.156 1.00 0.00 C ATOM 1168 O THR A 75 1.111 2.200 8.704 1.00 0.00 O ATOM 1169 CB THR A 75 2.861 -0.809 9.098 1.00 0.00 C ATOM 1170 OG1 THR A 75 4.079 -1.532 8.844 1.00 0.00 O ATOM 1171 CG2 THR A 75 1.669 -1.675 8.657 1.00 0.00 C ATOM 0 H THR A 75 4.966 0.348 8.440 1.00 0.00 H new ATOM 0 HA THR A 75 2.395 0.441 7.385 1.00 0.00 H new ATOM 0 HB THR A 75 2.762 -0.598 10.163 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.078 -1.861 7.921 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.688 -2.622 9.196 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.738 -1.152 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.735 -1.866 7.586 1.00 0.00 H new ATOM 1179 N SER A 76 2.655 1.947 10.347 1.00 0.00 N ATOM 1180 CA SER A 76 2.356 3.142 11.148 1.00 0.00 C ATOM 1181 C SER A 76 3.568 3.398 12.059 1.00 0.00 C ATOM 1182 O SER A 76 4.081 2.456 12.672 1.00 0.00 O ATOM 1183 CB SER A 76 1.055 2.994 11.986 1.00 0.00 C ATOM 1184 OG SER A 76 -0.095 2.884 11.153 1.00 0.00 O ATOM 0 H SER A 76 3.334 1.334 10.797 1.00 0.00 H new ATOM 0 HA SER A 76 2.180 3.986 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.130 2.112 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.946 3.855 12.646 1.00 0.00 H new ATOM 0 HG SER A 76 0.186 2.772 10.221 1.00 0.00 H new ATOM 1190 N GLN A 77 4.059 4.648 12.091 1.00 0.00 N ATOM 1191 CA GLN A 77 5.208 5.029 12.927 1.00 0.00 C ATOM 1192 C GLN A 77 4.814 4.906 14.410 1.00 0.00 C ATOM 1193 O GLN A 77 4.186 5.813 14.979 1.00 0.00 O ATOM 1194 CB GLN A 77 5.699 6.462 12.576 1.00 0.00 C ATOM 1195 CG GLN A 77 6.115 6.647 11.103 1.00 0.00 C ATOM 1196 CD GLN A 77 6.657 8.048 10.795 1.00 0.00 C ATOM 1197 OE1 GLN A 77 6.288 9.036 11.438 1.00 0.00 O ATOM 1198 NE2 GLN A 77 7.520 8.146 9.796 1.00 0.00 N ATOM 0 H GLN A 77 3.674 5.417 11.543 1.00 0.00 H new ATOM 0 HA GLN A 77 6.042 4.355 12.731 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.906 7.172 12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.547 6.710 13.215 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.876 5.908 10.852 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.255 6.449 10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.805 7.311 9.284 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.900 9.057 9.538 1.00 0.00 H new ATOM 1207 N GLY A 78 5.146 3.750 15.007 1.00 0.00 N ATOM 1208 CA GLY A 78 4.725 3.401 16.350 1.00 0.00 C ATOM 1209 C GLY A 78 4.958 1.913 16.579 1.00 0.00 C ATOM 1210 O GLY A 78 5.704 1.526 17.488 1.00 0.00 O ATOM 0 H GLY A 78 5.718 3.035 14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.283 3.985 17.082 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.671 3.641 16.487 1.00 0.00 H new ATOM 1214 N VAL A 79 4.328 1.076 15.721 1.00 0.00 N ATOM 1215 CA VAL A 79 4.593 -0.381 15.637 1.00 0.00 C ATOM 1216 C VAL A 79 5.981 -0.617 14.972 1.00 0.00 C ATOM 1217 O VAL A 79 6.336 0.152 14.072 1.00 0.00 O ATOM 1218 CB VAL A 79 3.436 -1.109 14.811 1.00 0.00 C ATOM 1219 CG1 VAL A 79 3.251 -0.505 13.392 1.00 0.00 C ATOM 1220 CG2 VAL A 79 3.651 -2.646 14.735 1.00 0.00 C ATOM 0 H VAL A 79 3.617 1.395 15.063 1.00 0.00 H new ATOM 0 HA VAL A 79 4.606 -0.805 16.641 1.00 0.00 H new ATOM 0 HB VAL A 79 2.514 -0.930 15.363 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.453 -1.035 12.872 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.991 0.550 13.477 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.179 -0.606 12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.840 -3.099 14.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.602 -2.857 14.245 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.662 -3.062 15.742 1.00 0.00 H new ATOM 1230 N PRO A 80 6.806 -1.623 15.449 1.00 0.00 N ATOM 1231 CA PRO A 80 8.096 -2.014 14.799 1.00 0.00 C ATOM 1232 C PRO A 80 7.986 -2.266 13.268 1.00 0.00 C ATOM 1233 O PRO A 80 7.669 -3.377 12.828 1.00 0.00 O ATOM 1234 CB PRO A 80 8.504 -3.299 15.562 1.00 0.00 C ATOM 1235 CG PRO A 80 7.893 -3.132 16.918 1.00 0.00 C ATOM 1236 CD PRO A 80 6.578 -2.415 16.693 1.00 0.00 C ATOM 0 HA PRO A 80 8.831 -1.212 14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.129 -4.193 15.064 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.588 -3.398 15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.735 -4.098 17.397 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.546 -2.555 17.573 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.755 -3.119 16.572 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.325 -1.771 17.535 1.00 0.00 H new ATOM 1244 N VAL A 81 8.153 -1.168 12.492 1.00 0.00 N ATOM 1245 CA VAL A 81 8.313 -1.152 11.024 1.00 0.00 C ATOM 1246 C VAL A 81 9.135 -2.331 10.434 1.00 0.00 C ATOM 1247 O VAL A 81 10.113 -2.801 11.028 1.00 0.00 O ATOM 1248 CB VAL A 81 8.999 0.211 10.633 1.00 0.00 C ATOM 1249 CG1 VAL A 81 10.361 0.375 11.363 1.00 0.00 C ATOM 1250 CG2 VAL A 81 9.149 0.387 9.113 1.00 0.00 C ATOM 0 H VAL A 81 8.181 -0.230 12.893 1.00 0.00 H new ATOM 0 HA VAL A 81 7.316 -1.263 10.598 1.00 0.00 H new ATOM 0 HB VAL A 81 8.334 1.008 10.967 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.815 1.324 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.200 0.360 12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.024 -0.444 11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.628 1.343 8.903 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.761 -0.421 8.712 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.165 0.363 8.645 1.00 0.00 H new ATOM 1260 N ARG A 82 8.713 -2.793 9.243 1.00 0.00 N ATOM 1261 CA ARG A 82 9.366 -3.873 8.501 1.00 0.00 C ATOM 1262 C ARG A 82 10.103 -3.289 7.289 1.00 0.00 C ATOM 1263 O ARG A 82 9.546 -2.465 6.543 1.00 0.00 O ATOM 1264 CB ARG A 82 8.329 -4.941 8.056 1.00 0.00 C ATOM 1265 CG ARG A 82 7.966 -5.960 9.156 1.00 0.00 C ATOM 1266 CD ARG A 82 6.974 -7.031 8.681 1.00 0.00 C ATOM 1267 NE ARG A 82 6.904 -8.159 9.630 1.00 0.00 N ATOM 1268 CZ ARG A 82 6.163 -9.262 9.479 1.00 0.00 C ATOM 1269 NH1 ARG A 82 5.311 -9.383 8.468 1.00 0.00 N ATOM 1270 NH2 ARG A 82 6.274 -10.245 10.352 1.00 0.00 N ATOM 0 H ARG A 82 7.894 -2.416 8.766 1.00 0.00 H new ATOM 0 HA ARG A 82 10.089 -4.365 9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.420 -4.436 7.729 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.723 -5.478 7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.876 -6.446 9.507 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.539 -5.430 10.007 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.985 -6.588 8.567 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.274 -7.398 7.699 1.00 0.00 H new ATOM 0 HE ARG A 82 7.471 -8.091 10.475 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.213 -8.627 7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.754 -10.232 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.922 -10.161 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.712 -11.089 10.243 1.00 0.00 H new ATOM 1284 N ARG A 83 11.359 -3.720 7.112 1.00 0.00 N ATOM 1285 CA ARG A 83 12.214 -3.324 5.985 1.00 0.00 C ATOM 1286 C ARG A 83 12.186 -4.432 4.923 1.00 0.00 C ATOM 1287 O ARG A 83 12.105 -5.620 5.258 1.00 0.00 O ATOM 1288 CB ARG A 83 13.665 -3.086 6.485 1.00 0.00 C ATOM 1289 CG ARG A 83 13.795 -1.989 7.567 1.00 0.00 C ATOM 1290 CD ARG A 83 15.249 -1.793 8.030 1.00 0.00 C ATOM 1291 NE ARG A 83 15.373 -0.717 9.030 1.00 0.00 N ATOM 1292 CZ ARG A 83 16.505 -0.081 9.361 1.00 0.00 C ATOM 1293 NH1 ARG A 83 17.654 -0.355 8.755 1.00 0.00 N ATOM 1294 NH2 ARG A 83 16.465 0.854 10.294 1.00 0.00 N ATOM 0 H ARG A 83 11.817 -4.363 7.758 1.00 0.00 H new ATOM 0 HA ARG A 83 11.845 -2.397 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.057 -4.021 6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 83 14.290 -2.816 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.411 -1.047 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.176 -2.253 8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 83 15.623 -2.725 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 83 15.875 -1.560 7.169 1.00 0.00 H new ATOM 0 HE ARG A 83 14.521 -0.431 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.687 -1.062 8.021 1.00 0.00 H new ATOM 0 HH12 ARG A 83 18.503 0.142 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.582 1.082 10.750 1.00 0.00 H new ATOM 0 HH22 ARG A 83 17.318 1.348 10.558 1.00 0.00 H new ATOM 1308 N PHE A 84 12.286 -4.038 3.655 1.00 0.00 N ATOM 1309 CA PHE A 84 12.152 -4.947 2.495 1.00 0.00 C ATOM 1310 C PHE A 84 13.239 -4.628 1.489 1.00 0.00 C ATOM 1311 O PHE A 84 13.863 -3.583 1.568 1.00 0.00 O ATOM 1312 CB PHE A 84 10.749 -4.808 1.842 1.00 0.00 C ATOM 1313 CG PHE A 84 9.624 -5.291 2.745 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.259 -6.627 2.757 1.00 0.00 C ATOM 1315 CD2 PHE A 84 8.966 -4.425 3.610 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.268 -7.084 3.590 1.00 0.00 C ATOM 1317 CE2 PHE A 84 7.982 -4.885 4.450 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.631 -6.217 4.438 1.00 0.00 C ATOM 0 H PHE A 84 12.464 -3.069 3.390 1.00 0.00 H new ATOM 0 HA PHE A 84 12.259 -5.978 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.577 -3.763 1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.729 -5.375 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 84 9.762 -7.321 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.232 -3.378 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.990 -8.128 3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.483 -4.202 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.854 -6.577 5.096 1.00 0.00 H new ATOM 1328 N GLN A 85 13.466 -5.532 0.543 1.00 0.00 N ATOM 1329 CA GLN A 85 14.440 -5.325 -0.543 1.00 0.00 C ATOM 1330 C GLN A 85 13.769 -5.546 -1.914 1.00 0.00 C ATOM 1331 O GLN A 85 14.308 -5.140 -2.950 1.00 0.00 O ATOM 1332 CB GLN A 85 15.665 -6.250 -0.315 1.00 0.00 C ATOM 1333 CG GLN A 85 16.879 -5.951 -1.216 1.00 0.00 C ATOM 1334 CD GLN A 85 18.158 -6.646 -0.756 1.00 0.00 C ATOM 1335 OE1 GLN A 85 18.451 -7.769 -1.155 1.00 0.00 O ATOM 1336 NE2 GLN A 85 18.923 -5.981 0.094 1.00 0.00 N ATOM 0 H GLN A 85 12.985 -6.431 0.500 1.00 0.00 H new ATOM 0 HA GLN A 85 14.799 -4.296 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 85 15.975 -6.168 0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.357 -7.283 -0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 85 16.651 -6.262 -2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.048 -4.874 -1.241 1.00 0.00 H new ATOM 0 HE21 GLN A 85 18.649 -5.049 0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.787 -6.400 0.438 1.00 0.00 H new ATOM 1345 N THR A 86 12.557 -6.140 -1.907 1.00 0.00 N ATOM 1346 CA THR A 86 11.776 -6.421 -3.130 1.00 0.00 C ATOM 1347 C THR A 86 10.277 -6.131 -2.861 1.00 0.00 C ATOM 1348 O THR A 86 9.780 -6.417 -1.759 1.00 0.00 O ATOM 1349 CB THR A 86 11.968 -7.922 -3.561 1.00 0.00 C ATOM 1350 OG1 THR A 86 13.369 -8.252 -3.595 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.359 -8.234 -4.941 1.00 0.00 C ATOM 0 H THR A 86 12.091 -6.439 -1.050 1.00 0.00 H new ATOM 0 HA THR A 86 12.128 -5.780 -3.938 1.00 0.00 H new ATOM 0 HB THR A 86 11.444 -8.523 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.478 -9.188 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.524 -9.284 -5.182 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.288 -8.030 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.833 -7.609 -5.698 1.00 0.00 H new ATOM 1359 N LEU A 87 9.575 -5.543 -3.859 1.00 0.00 N ATOM 1360 CA LEU A 87 8.101 -5.336 -3.819 1.00 0.00 C ATOM 1361 C LEU A 87 7.346 -6.670 -3.649 1.00 0.00 C ATOM 1362 O LEU A 87 6.276 -6.706 -3.038 1.00 0.00 O ATOM 1363 CB LEU A 87 7.610 -4.615 -5.112 1.00 0.00 C ATOM 1364 CG LEU A 87 7.968 -3.099 -5.245 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.553 -2.546 -6.630 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.333 -2.271 -4.099 1.00 0.00 C ATOM 0 H LEU A 87 10.010 -5.198 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 87 7.886 -4.708 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.024 -5.140 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.526 -4.716 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 87 9.051 -3.006 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.814 -1.490 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.075 -3.096 -7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.477 -2.662 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.599 -1.221 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.249 -2.376 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.704 -2.633 -3.140 1.00 0.00 H new ATOM 1378 N GLY A 88 7.912 -7.749 -4.219 1.00 0.00 N ATOM 1379 CA GLY A 88 7.380 -9.106 -4.051 1.00 0.00 C ATOM 1380 C GLY A 88 7.351 -9.577 -2.593 1.00 0.00 C ATOM 1381 O GLY A 88 6.455 -10.334 -2.200 1.00 0.00 O ATOM 0 H GLY A 88 8.746 -7.702 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.369 -9.144 -4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.984 -9.799 -4.636 1.00 0.00 H new ATOM 1385 N GLU A 89 8.341 -9.125 -1.791 1.00 0.00 N ATOM 1386 CA GLU A 89 8.404 -9.425 -0.346 1.00 0.00 C ATOM 1387 C GLU A 89 7.318 -8.644 0.404 1.00 0.00 C ATOM 1388 O GLU A 89 6.675 -9.182 1.311 1.00 0.00 O ATOM 1389 CB GLU A 89 9.791 -9.074 0.243 1.00 0.00 C ATOM 1390 CG GLU A 89 10.966 -9.835 -0.375 1.00 0.00 C ATOM 1391 CD GLU A 89 12.296 -9.491 0.302 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.881 -8.438 -0.025 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.748 -10.253 1.184 1.00 0.00 O ATOM 0 H GLU A 89 9.112 -8.547 -2.125 1.00 0.00 H new ATOM 0 HA GLU A 89 8.238 -10.495 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.963 -8.005 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.774 -9.270 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.785 -10.907 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.030 -9.601 -1.438 1.00 0.00 H new ATOM 1400 N LEU A 90 7.123 -7.363 0.003 1.00 0.00 N ATOM 1401 CA LEU A 90 6.043 -6.494 0.531 1.00 0.00 C ATOM 1402 C LEU A 90 4.680 -7.199 0.407 1.00 0.00 C ATOM 1403 O LEU A 90 3.943 -7.322 1.385 1.00 0.00 O ATOM 1404 CB LEU A 90 6.023 -5.134 -0.229 1.00 0.00 C ATOM 1405 CG LEU A 90 4.800 -4.189 0.054 1.00 0.00 C ATOM 1406 CD1 LEU A 90 4.799 -3.678 1.498 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.745 -3.020 -0.953 1.00 0.00 C ATOM 0 H LEU A 90 7.709 -6.905 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 90 6.237 -6.299 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.936 -4.592 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.054 -5.341 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 90 3.897 -4.784 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.938 -3.028 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.744 -4.524 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.715 -3.118 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.887 -2.386 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.660 -2.432 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.649 -3.415 -1.964 1.00 0.00 H new ATOM 1419 N ILE A 91 4.396 -7.680 -0.812 1.00 0.00 N ATOM 1420 CA ILE A 91 3.172 -8.422 -1.129 1.00 0.00 C ATOM 1421 C ILE A 91 3.090 -9.742 -0.332 1.00 0.00 C ATOM 1422 O ILE A 91 2.022 -10.096 0.167 1.00 0.00 O ATOM 1423 CB ILE A 91 3.056 -8.685 -2.682 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.045 -7.333 -3.474 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.807 -9.532 -3.020 1.00 0.00 C ATOM 1426 CD1 ILE A 91 1.917 -6.381 -3.100 1.00 0.00 C ATOM 0 H ILE A 91 5.017 -7.562 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 91 2.325 -7.806 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 91 3.933 -9.255 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.997 -6.827 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.977 -7.553 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.758 -9.694 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.871 -10.494 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.911 -9.006 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.992 -5.474 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.957 -6.862 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.993 -6.124 -2.043 1.00 0.00 H new ATOM 1438 N GLY A 92 4.239 -10.417 -0.183 1.00 0.00 N ATOM 1439 CA GLY A 92 4.317 -11.687 0.534 1.00 0.00 C ATOM 1440 C GLY A 92 3.858 -11.593 1.989 1.00 0.00 C ATOM 1441 O GLY A 92 2.931 -12.299 2.407 1.00 0.00 O ATOM 0 H GLY A 92 5.133 -10.096 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.707 -12.426 0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.345 -12.048 0.508 1.00 0.00 H new ATOM 1445 N LEU A 93 4.511 -10.701 2.752 1.00 0.00 N ATOM 1446 CA LEU A 93 4.241 -10.504 4.182 1.00 0.00 C ATOM 1447 C LEU A 93 2.875 -9.823 4.425 1.00 0.00 C ATOM 1448 O LEU A 93 2.059 -10.341 5.186 1.00 0.00 O ATOM 1449 CB LEU A 93 5.402 -9.700 4.866 1.00 0.00 C ATOM 1450 CG LEU A 93 6.719 -10.504 5.172 1.00 0.00 C ATOM 1451 CD1 LEU A 93 7.422 -11.016 3.893 1.00 0.00 C ATOM 1452 CD2 LEU A 93 7.688 -9.675 6.045 1.00 0.00 C ATOM 0 H LEU A 93 5.246 -10.093 2.389 1.00 0.00 H new ATOM 0 HA LEU A 93 4.193 -11.491 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.657 -8.856 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.027 -9.288 5.803 1.00 0.00 H new ATOM 0 HG LEU A 93 6.418 -11.387 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.324 -11.563 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.749 -11.677 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.689 -10.169 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.589 -10.256 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.955 -8.757 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.205 -9.427 6.990 1.00 0.00 H new ATOM 1464 N TYR A 94 2.619 -8.681 3.762 1.00 0.00 N ATOM 1465 CA TYR A 94 1.405 -7.852 4.012 1.00 0.00 C ATOM 1466 C TYR A 94 0.089 -8.518 3.557 1.00 0.00 C ATOM 1467 O TYR A 94 -0.994 -8.080 3.973 1.00 0.00 O ATOM 1468 CB TYR A 94 1.562 -6.451 3.371 1.00 0.00 C ATOM 1469 CG TYR A 94 2.436 -5.479 4.178 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.812 -5.630 4.242 1.00 0.00 C ATOM 1471 CD2 TYR A 94 1.874 -4.410 4.878 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.586 -4.751 4.964 1.00 0.00 C ATOM 1473 CE2 TYR A 94 2.648 -3.532 5.600 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.011 -3.707 5.638 1.00 0.00 C ATOM 1475 OH TYR A 94 4.797 -2.835 6.364 1.00 0.00 O ATOM 0 H TYR A 94 3.235 -8.302 3.043 1.00 0.00 H new ATOM 0 HA TYR A 94 1.327 -7.750 5.094 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.991 -6.566 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.573 -6.011 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.283 -6.449 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.804 -4.269 4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.657 -4.886 4.999 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.189 -2.712 6.133 1.00 0.00 H new ATOM 0 HH TYR A 94 5.736 -3.105 6.293 1.00 0.00 H new ATOM 1485 N ALA A 95 0.170 -9.551 2.695 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.004 -10.383 2.339 1.00 0.00 C ATOM 1487 C ALA A 95 -1.634 -11.074 3.576 1.00 0.00 C ATOM 1488 O ALA A 95 -2.792 -11.495 3.531 1.00 0.00 O ATOM 1489 CB ALA A 95 -0.610 -11.418 1.277 1.00 0.00 C ATOM 0 H ALA A 95 1.034 -9.832 2.231 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.766 -9.720 1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -1.478 -12.025 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.250 -10.905 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.179 -12.060 1.669 1.00 0.00 H new ATOM 1495 N GLN A 96 -0.852 -11.186 4.665 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.330 -11.713 5.957 1.00 0.00 C ATOM 1497 C GLN A 96 -2.149 -10.624 6.705 1.00 0.00 C ATOM 1498 O GLN A 96 -1.646 -9.508 6.911 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.126 -12.161 6.830 1.00 0.00 C ATOM 1500 CG GLN A 96 0.811 -13.166 6.145 1.00 0.00 C ATOM 1501 CD GLN A 96 2.055 -13.474 6.975 1.00 0.00 C ATOM 1502 OE1 GLN A 96 3.060 -12.767 6.887 1.00 0.00 O ATOM 1503 NE2 GLN A 96 2.010 -14.526 7.781 1.00 0.00 N ATOM 0 H GLN A 96 0.131 -10.913 4.674 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.971 -12.575 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.450 -11.280 7.114 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.505 -12.604 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.268 -14.092 5.955 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.115 -12.771 5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.164 -15.093 7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.822 -14.768 8.349 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.437 -10.912 7.096 1.00 0.00 N ATOM 1513 CA PRO A 97 -4.240 -9.997 7.942 1.00 0.00 C ATOM 1514 C PRO A 97 -3.719 -9.955 9.389 1.00 0.00 C ATOM 1515 O PRO A 97 -2.909 -10.806 9.789 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.671 -10.594 7.858 1.00 0.00 C ATOM 1517 CG PRO A 97 -5.434 -12.052 7.607 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.221 -12.111 6.702 1.00 0.00 C ATOM 0 HA PRO A 97 -4.196 -8.961 7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.227 -10.432 8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.248 -10.138 7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.255 -12.587 8.539 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.300 -12.515 7.134 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.653 -13.029 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.503 -12.078 5.650 1.00 0.00 H new ATOM 1526 N ASN A 98 -4.224 -8.974 10.170 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.767 -8.702 11.547 1.00 0.00 C ATOM 1528 C ASN A 98 -2.237 -8.502 11.580 1.00 0.00 C ATOM 1529 O ASN A 98 -1.505 -9.219 12.264 1.00 0.00 O ATOM 1530 CB ASN A 98 -4.254 -9.797 12.551 1.00 0.00 C ATOM 1531 CG ASN A 98 -5.773 -9.824 12.749 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -6.548 -9.498 11.843 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -6.209 -10.208 13.944 1.00 0.00 N ATOM 0 H ASN A 98 -4.965 -8.346 9.858 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.224 -7.770 11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.926 -10.774 12.196 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.774 -9.631 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -7.210 -10.240 14.135 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -5.542 -10.471 14.670 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.786 -7.509 10.797 1.00 0.00 N ATOM 1541 CA GLN A 99 -0.355 -7.175 10.628 1.00 0.00 C ATOM 1542 C GLN A 99 -0.160 -5.650 10.526 1.00 0.00 C ATOM 1543 O GLN A 99 0.953 -5.135 10.692 1.00 0.00 O ATOM 1544 CB GLN A 99 0.223 -7.882 9.361 1.00 0.00 C ATOM 1545 CG GLN A 99 1.761 -7.961 9.335 1.00 0.00 C ATOM 1546 CD GLN A 99 2.318 -8.594 8.061 1.00 0.00 C ATOM 1547 OE1 GLN A 99 2.663 -7.898 7.104 1.00 0.00 O ATOM 1548 NE2 GLN A 99 2.396 -9.917 8.037 1.00 0.00 N ATOM 0 H GLN A 99 -2.407 -6.907 10.256 1.00 0.00 H new ATOM 0 HA GLN A 99 0.186 -7.532 11.504 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.184 -8.892 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.118 -7.350 8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.170 -6.956 9.441 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.102 -8.536 10.196 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.101 -10.460 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 99 2.751 -10.392 7.207 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.259 -4.928 10.272 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.233 -3.487 10.043 1.00 0.00 C ATOM 1559 C GLY A 100 -2.214 -3.081 8.957 1.00 0.00 C ATOM 1560 O GLY A 100 -2.566 -1.896 8.832 1.00 0.00 O ATOM 0 H GLY A 100 -2.193 -5.334 10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.476 -2.965 10.969 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.226 -3.180 9.759 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.645 -4.067 8.143 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.660 -3.865 7.103 1.00 0.00 C ATOM 1566 C LEU A 101 -5.036 -4.359 7.601 1.00 0.00 C ATOM 1567 O LEU A 101 -5.261 -5.570 7.722 1.00 0.00 O ATOM 1568 CB LEU A 101 -3.280 -4.593 5.796 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.847 -4.356 5.232 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.728 -4.920 3.811 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -1.427 -2.872 5.266 1.00 0.00 C ATOM 0 H LEU A 101 -2.295 -5.024 8.193 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.714 -2.797 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -3.405 -5.664 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.996 -4.302 5.028 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.159 -4.890 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.721 -4.745 3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.929 -5.991 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.450 -4.425 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.420 -2.769 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.121 -2.284 4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.442 -2.513 6.295 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.909 -3.392 7.921 1.00 0.00 N ATOM 1584 CA VAL A 102 -7.329 -3.612 8.313 1.00 0.00 C ATOM 1585 C VAL A 102 -8.099 -4.630 7.415 1.00 0.00 C ATOM 1586 O VAL A 102 -9.061 -5.253 7.871 1.00 0.00 O ATOM 1587 CB VAL A 102 -8.117 -2.243 8.351 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.490 -1.265 9.381 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -8.207 -1.590 6.940 1.00 0.00 C ATOM 0 H VAL A 102 -5.650 -2.405 7.917 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.282 -4.054 9.308 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.135 -2.463 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -8.053 -0.331 9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.522 -1.713 10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.454 -1.063 9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.756 -0.651 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.202 -1.397 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.726 -2.265 6.259 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.671 -4.791 6.150 1.00 0.00 N ATOM 1600 CA CYS A 103 -8.333 -5.693 5.180 1.00 0.00 C ATOM 1601 C CYS A 103 -7.363 -6.730 4.585 1.00 0.00 C ATOM 1602 O CYS A 103 -7.815 -7.684 3.940 1.00 0.00 O ATOM 1603 CB CYS A 103 -8.963 -4.864 4.048 1.00 0.00 C ATOM 1604 SG CYS A 103 -10.000 -5.821 2.927 1.00 0.00 S ATOM 0 H CYS A 103 -6.860 -4.303 5.769 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.105 -6.242 5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.561 -4.065 4.486 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.168 -4.389 3.474 1.00 0.00 H new ATOM 0 HG CYS A 103 -11.234 -5.427 3.034 1.00 0.00 H new ATOM 1610 N ALA A 104 -6.044 -6.545 4.821 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.960 -7.279 4.117 1.00 0.00 C ATOM 1612 C ALA A 104 -4.945 -6.950 2.605 1.00 0.00 C ATOM 1613 O ALA A 104 -5.757 -6.147 2.119 1.00 0.00 O ATOM 1614 CB ALA A 104 -5.022 -8.800 4.386 1.00 0.00 C ATOM 0 H ALA A 104 -5.696 -5.878 5.510 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.012 -6.933 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.212 -9.297 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.919 -8.985 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.979 -9.192 4.040 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.989 -7.534 1.877 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.897 -7.367 0.420 1.00 0.00 C ATOM 1622 C LEU A 105 -4.941 -8.251 -0.298 1.00 0.00 C ATOM 1623 O LEU A 105 -4.694 -9.429 -0.559 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.456 -7.684 -0.058 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.329 -6.785 0.545 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.044 -7.198 0.012 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.589 -5.276 0.321 1.00 0.00 C ATOM 0 H LEU A 105 -3.263 -8.130 2.274 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.119 -6.331 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.234 -8.724 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.425 -7.594 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.339 -6.944 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.811 -6.557 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.242 -8.235 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.059 -7.096 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.776 -4.698 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.644 -5.071 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.530 -4.995 0.794 1.00 0.00 H new ATOM 1639 N LEU A 106 -6.133 -7.675 -0.563 1.00 0.00 N ATOM 1640 CA LEU A 106 -7.254 -8.404 -1.204 1.00 0.00 C ATOM 1641 C LEU A 106 -7.053 -8.435 -2.743 1.00 0.00 C ATOM 1642 O LEU A 106 -6.825 -9.505 -3.316 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.625 -7.756 -0.807 1.00 0.00 C ATOM 1644 CG LEU A 106 -9.903 -8.675 -0.786 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -11.146 -7.873 -0.335 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -10.166 -9.380 -2.139 1.00 0.00 C ATOM 0 H LEU A 106 -6.347 -6.702 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.267 -9.434 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.512 -7.320 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.817 -6.934 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.706 -9.464 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.018 -8.527 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -10.980 -7.478 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.317 -7.048 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.060 -9.998 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.311 -8.631 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.312 -10.008 -2.394 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.103 -7.250 -3.401 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.051 -7.162 -4.888 1.00 0.00 C ATOM 1660 C LEU A 107 -6.306 -5.876 -5.342 1.00 0.00 C ATOM 1661 O LEU A 107 -6.581 -4.781 -4.818 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.473 -7.232 -5.542 1.00 0.00 C ATOM 1663 CG LEU A 107 -9.433 -6.000 -5.365 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.642 -6.102 -6.315 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -9.899 -5.827 -3.902 1.00 0.00 C ATOM 0 H LEU A 107 -7.179 -6.347 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.494 -8.033 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.340 -7.400 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.981 -8.110 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.860 -5.111 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.291 -5.238 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.293 -6.127 -7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.199 -7.013 -6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.560 -4.963 -3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.434 -6.721 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.032 -5.674 -3.260 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.304 -5.993 -6.277 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.574 -4.824 -6.817 1.00 0.00 C ATOM 1679 C PRO A 108 -5.434 -4.024 -7.816 1.00 0.00 C ATOM 1680 O PRO A 108 -6.264 -4.602 -8.533 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.347 -5.467 -7.503 1.00 0.00 C ATOM 1682 CG PRO A 108 -3.828 -6.813 -7.942 1.00 0.00 C ATOM 1683 CD PRO A 108 -4.804 -7.268 -6.872 1.00 0.00 C ATOM 0 HA PRO A 108 -4.303 -4.099 -6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.008 -4.871 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.506 -5.551 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.313 -6.757 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.998 -7.513 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.617 -7.856 -7.297 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.315 -7.893 -6.125 1.00 0.00 H new ATOM 1691 N VAL A 109 -5.264 -2.691 -7.822 1.00 0.00 N ATOM 1692 CA VAL A 109 -5.997 -1.772 -8.720 1.00 0.00 C ATOM 1693 C VAL A 109 -4.990 -0.829 -9.432 1.00 0.00 C ATOM 1694 O VAL A 109 -4.818 -0.931 -10.672 1.00 0.00 O ATOM 1695 CB VAL A 109 -7.072 -0.935 -7.914 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.881 -0.002 -8.843 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -8.018 -1.854 -7.093 1.00 0.00 C ATOM 1698 OXT VAL A 109 -4.343 -0.013 -8.743 1.00 0.00 O ATOM 0 H VAL A 109 -4.610 -2.214 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.527 -2.359 -9.470 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.523 -0.310 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.609 0.556 -8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.204 0.694 -9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.401 -0.597 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.742 -1.243 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.545 -2.529 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -7.432 -2.436 -6.381 1.00 0.00 H new