USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 631 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 Single : A 18 THR OG1 : rot 87:sc= 0.436 USER MOD Single : A 27 THR OG1 : rot 120:sc= 0.977 USER MOD Single : A 28 SER OG : rot 180:sc= -0.169 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 31 THR OG1 : rot 97:sc= 1.13 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.513 K(o=-0.51,f=1.2) USER MOD Single : A 68 THR OG1 : rot 150:sc= 0.0527 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 80 HIS : no HD1:sc= -23.3! C(o=-23!,f=-23!) USER MOD Single : A 82 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 1.646 12.740 3.154 1.00 0.00 N ATOM 201 CA ARG A 14 1.237 11.602 2.349 1.00 0.00 C ATOM 202 C ARG A 14 1.946 10.333 2.825 1.00 0.00 C ATOM 203 O ARG A 14 1.346 9.260 2.865 1.00 0.00 O ATOM 204 CB ARG A 14 1.555 11.831 0.870 1.00 0.00 C ATOM 205 CG ARG A 14 0.279 11.811 0.026 1.00 0.00 C ATOM 206 CD ARG A 14 -0.102 13.223 -0.425 1.00 0.00 C ATOM 207 NE ARG A 14 -1.500 13.518 -0.039 1.00 0.00 N ATOM 208 CZ ARG A 14 -2.062 14.743 -0.109 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.349 15.800 -0.551 1.00 0.00 N ATOM 210 NH2 ARG A 14 -3.320 14.892 0.263 1.00 0.00 N ATOM 0 HA ARG A 14 0.159 11.485 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.062 12.788 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.240 11.060 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.425 11.174 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.537 11.377 0.604 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.570 13.952 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.012 13.312 -1.505 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.075 12.747 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.377 15.677 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.782 16.722 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.852 14.088 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.760 15.811 0.216 1.00 0.00 H new ATOM 223 N ALA A 15 3.213 10.497 3.175 1.00 0.00 N ATOM 224 CA ALA A 15 4.011 9.378 3.647 1.00 0.00 C ATOM 225 C ALA A 15 3.255 8.654 4.763 1.00 0.00 C ATOM 226 O ALA A 15 2.754 7.548 4.562 1.00 0.00 O ATOM 227 CB ALA A 15 5.380 9.884 4.105 1.00 0.00 C ATOM 0 H ALA A 15 3.707 11.389 3.141 1.00 0.00 H new ATOM 0 HA ALA A 15 4.180 8.661 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.978 9.045 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.888 10.365 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.250 10.603 4.913 1.00 0.00 H new ATOM 233 N GLU A 16 3.195 9.306 5.914 1.00 0.00 N ATOM 234 CA GLU A 16 2.509 8.737 7.062 1.00 0.00 C ATOM 235 C GLU A 16 1.099 8.292 6.670 1.00 0.00 C ATOM 236 O GLU A 16 0.712 7.151 6.921 1.00 0.00 O ATOM 237 CB GLU A 16 2.466 9.732 8.223 1.00 0.00 C ATOM 238 CG GLU A 16 2.443 9.004 9.569 1.00 0.00 C ATOM 239 CD GLU A 16 1.125 8.253 9.763 1.00 0.00 C ATOM 240 OE1 GLU A 16 0.132 8.555 9.084 1.00 0.00 O ATOM 241 OE2 GLU A 16 1.154 7.323 10.657 1.00 0.00 O ATOM 0 H GLU A 16 3.610 10.223 6.077 1.00 0.00 H new ATOM 0 HA GLU A 16 3.066 7.862 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.334 10.389 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.583 10.364 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.276 8.303 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.579 9.722 10.377 1.00 0.00 H new ATOM 249 N ARG A 17 0.369 9.214 6.060 1.00 0.00 N ATOM 250 CA ARG A 17 -0.990 8.931 5.630 1.00 0.00 C ATOM 251 C ARG A 17 -1.038 7.609 4.861 1.00 0.00 C ATOM 252 O ARG A 17 -1.937 6.796 5.073 1.00 0.00 O ATOM 253 CB ARG A 17 -1.531 10.051 4.739 1.00 0.00 C ATOM 254 CG ARG A 17 -3.048 9.936 4.575 1.00 0.00 C ATOM 255 CD ARG A 17 -3.423 9.670 3.116 1.00 0.00 C ATOM 256 NE ARG A 17 -3.525 10.949 2.378 1.00 0.00 N ATOM 257 CZ ARG A 17 -4.467 11.886 2.615 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.399 11.694 3.574 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.465 12.993 1.895 1.00 0.00 N ATOM 0 H ARG A 17 0.693 10.159 5.853 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.612 8.860 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.281 11.019 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.051 10.007 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.425 9.130 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.525 10.855 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.673 9.031 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.372 9.136 3.067 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.841 11.134 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.394 10.836 4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.107 12.407 3.747 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.758 13.130 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.170 13.711 2.062 1.00 0.00 H new ATOM 272 N THR A 18 -0.060 7.434 3.985 1.00 0.00 N ATOM 273 CA THR A 18 0.020 6.225 3.184 1.00 0.00 C ATOM 274 C THR A 18 0.483 5.046 4.042 1.00 0.00 C ATOM 275 O THR A 18 0.001 3.926 3.877 1.00 0.00 O ATOM 276 CB THR A 18 0.939 6.506 1.993 1.00 0.00 C ATOM 277 OG1 THR A 18 0.163 7.354 1.150 1.00 0.00 O ATOM 278 CG2 THR A 18 1.191 5.261 1.141 1.00 0.00 C ATOM 0 H THR A 18 0.684 8.110 3.812 1.00 0.00 H new ATOM 0 HA THR A 18 -0.959 5.942 2.798 1.00 0.00 H new ATOM 0 HB THR A 18 1.891 6.897 2.352 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.283 8.287 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.849 5.516 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.661 4.491 1.753 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.243 4.888 0.752 1.00 0.00 H new ATOM 286 N ALA A 19 1.412 5.338 4.941 1.00 0.00 N ATOM 287 CA ALA A 19 1.945 4.316 5.826 1.00 0.00 C ATOM 288 C ALA A 19 0.864 3.898 6.824 1.00 0.00 C ATOM 289 O ALA A 19 0.924 2.806 7.388 1.00 0.00 O ATOM 290 CB ALA A 19 3.204 4.845 6.517 1.00 0.00 C ATOM 0 H ALA A 19 1.809 6.268 5.075 1.00 0.00 H new ATOM 0 HA ALA A 19 2.232 3.430 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.604 4.079 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.951 5.100 5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.955 5.733 7.097 1.00 0.00 H new ATOM 296 N GLU A 20 -0.100 4.788 7.012 1.00 0.00 N ATOM 297 CA GLU A 20 -1.192 4.524 7.933 1.00 0.00 C ATOM 298 C GLU A 20 -2.286 3.709 7.239 1.00 0.00 C ATOM 299 O GLU A 20 -2.786 2.734 7.797 1.00 0.00 O ATOM 300 CB GLU A 20 -1.757 5.828 8.500 1.00 0.00 C ATOM 301 CG GLU A 20 -3.051 5.573 9.276 1.00 0.00 C ATOM 302 CD GLU A 20 -3.123 6.452 10.526 1.00 0.00 C ATOM 303 OE1 GLU A 20 -3.609 7.590 10.457 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.652 5.913 11.599 1.00 0.00 O ATOM 0 H GLU A 20 -0.147 5.692 6.542 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.805 3.940 8.768 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.021 6.293 9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.948 6.529 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.909 5.775 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.107 4.523 9.562 1.00 0.00 H new ATOM 312 N LEU A 21 -2.624 4.138 6.032 1.00 0.00 N ATOM 313 CA LEU A 21 -3.649 3.460 5.257 1.00 0.00 C ATOM 314 C LEU A 21 -3.282 1.982 5.117 1.00 0.00 C ATOM 315 O LEU A 21 -4.053 1.107 5.511 1.00 0.00 O ATOM 316 CB LEU A 21 -3.865 4.169 3.918 1.00 0.00 C ATOM 317 CG LEU A 21 -5.188 4.923 3.764 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.365 3.950 3.670 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.374 5.940 4.892 1.00 0.00 C ATOM 0 H LEU A 21 -2.206 4.947 5.572 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.608 3.504 5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.048 4.874 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.797 3.428 3.122 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.156 5.482 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.293 4.511 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.231 3.299 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.411 3.346 4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.322 6.462 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.376 5.423 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.557 6.661 4.870 1.00 0.00 H new ATOM 331 N VAL A 22 -2.105 1.747 4.556 1.00 0.00 N ATOM 332 CA VAL A 22 -1.626 0.390 4.360 1.00 0.00 C ATOM 333 C VAL A 22 -1.592 -0.334 5.707 1.00 0.00 C ATOM 334 O VAL A 22 -2.055 -1.469 5.819 1.00 0.00 O ATOM 335 CB VAL A 22 -0.267 0.410 3.657 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.529 -0.859 3.967 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.433 0.599 2.148 1.00 0.00 C ATOM 0 H VAL A 22 -1.469 2.475 4.231 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.304 -0.164 3.710 1.00 0.00 H new ATOM 0 HB VAL A 22 0.296 1.261 4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.491 -0.819 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.693 -0.932 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.029 -1.731 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.548 0.610 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.024 -0.221 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.941 1.544 1.953 1.00 0.00 H new ATOM 347 N ARG A 23 -1.040 0.351 6.697 1.00 0.00 N ATOM 348 CA ARG A 23 -0.939 -0.212 8.033 1.00 0.00 C ATOM 349 C ARG A 23 -2.332 -0.510 8.590 1.00 0.00 C ATOM 350 O ARG A 23 -2.507 -1.448 9.366 1.00 0.00 O ATOM 351 CB ARG A 23 -0.212 0.744 8.981 1.00 0.00 C ATOM 352 CG ARG A 23 -0.119 0.154 10.389 1.00 0.00 C ATOM 353 CD ARG A 23 1.284 0.343 10.971 1.00 0.00 C ATOM 354 NE ARG A 23 1.204 1.071 12.257 1.00 0.00 N ATOM 355 CZ ARG A 23 1.193 2.417 12.365 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.257 3.193 11.263 1.00 0.00 N ATOM 357 NH2 ARG A 23 1.120 2.962 13.565 1.00 0.00 N ATOM 0 H ARG A 23 -0.658 1.292 6.601 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.367 -1.137 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.789 0.947 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.739 1.697 9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.853 0.633 11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.364 -0.908 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.758 -0.627 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.907 0.897 10.268 1.00 0.00 H new ATOM 0 HE ARG A 23 1.154 0.522 13.115 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.314 2.764 10.340 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.248 4.209 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.073 2.368 14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.111 3.977 13.664 1.00 0.00 H new ATOM 370 N LEU A 24 -3.289 0.307 8.172 1.00 0.00 N ATOM 371 CA LEU A 24 -4.661 0.143 8.620 1.00 0.00 C ATOM 372 C LEU A 24 -5.307 -1.015 7.856 1.00 0.00 C ATOM 373 O LEU A 24 -5.599 -2.060 8.435 1.00 0.00 O ATOM 374 CB LEU A 24 -5.426 1.463 8.498 1.00 0.00 C ATOM 375 CG LEU A 24 -6.825 1.486 9.115 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.652 0.287 8.646 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.751 1.569 10.641 1.00 0.00 C ATOM 0 H LEU A 24 -3.141 1.084 7.528 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.688 -0.118 9.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.832 2.249 8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.513 1.714 7.441 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.335 2.385 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.642 0.328 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.749 0.314 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.155 -0.636 8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.760 1.584 11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.214 0.703 11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.227 2.480 10.931 1.00 0.00 H new ATOM 389 N VAL A 25 -5.512 -0.789 6.566 1.00 0.00 N ATOM 390 CA VAL A 25 -6.118 -1.800 5.717 1.00 0.00 C ATOM 391 C VAL A 25 -5.608 -3.182 6.132 1.00 0.00 C ATOM 392 O VAL A 25 -6.398 -4.078 6.422 1.00 0.00 O ATOM 393 CB VAL A 25 -5.846 -1.480 4.246 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.346 -1.516 3.945 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.613 -2.432 3.326 1.00 0.00 C ATOM 0 H VAL A 25 -5.269 0.079 6.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.201 -1.803 5.841 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.202 -0.468 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.180 -1.285 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.833 -0.779 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.955 -2.509 4.164 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.402 -2.182 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.302 -3.458 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.683 -2.335 3.512 1.00 0.00 H new ATOM 405 N ARG A 26 -4.289 -3.310 6.147 1.00 0.00 N ATOM 406 CA ARG A 26 -3.664 -4.567 6.521 1.00 0.00 C ATOM 407 C ARG A 26 -4.158 -5.017 7.898 1.00 0.00 C ATOM 408 O ARG A 26 -4.913 -5.982 8.005 1.00 0.00 O ATOM 409 CB ARG A 26 -2.140 -4.437 6.552 1.00 0.00 C ATOM 410 CG ARG A 26 -1.469 -5.734 6.096 1.00 0.00 C ATOM 411 CD ARG A 26 -1.636 -5.937 4.589 1.00 0.00 C ATOM 412 NE ARG A 26 -1.386 -7.352 4.238 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.311 -8.331 4.335 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.557 -8.055 4.774 1.00 0.00 N ATOM 415 NH2 ARG A 26 -1.979 -9.562 3.994 1.00 0.00 N ATOM 0 H ARG A 26 -3.636 -2.564 5.906 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.939 -5.309 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.828 -3.616 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.813 -4.190 7.562 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.409 -5.707 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.902 -6.579 6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.643 -5.651 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.944 -5.292 4.048 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.457 -7.604 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.806 -7.101 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.250 -8.800 4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.035 -9.763 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.666 -10.313 4.062 1.00 0.00 H new ATOM 428 N THR A 27 -3.713 -4.295 8.916 1.00 0.00 N ATOM 429 CA THR A 27 -4.101 -4.607 10.281 1.00 0.00 C ATOM 430 C THR A 27 -5.590 -4.950 10.347 1.00 0.00 C ATOM 431 O THR A 27 -5.988 -5.871 11.058 1.00 0.00 O ATOM 432 CB THR A 27 -3.709 -3.423 11.166 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.316 -3.250 10.920 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.786 -3.756 12.658 1.00 0.00 C ATOM 0 H THR A 27 -3.087 -3.495 8.823 1.00 0.00 H new ATOM 0 HA THR A 27 -3.580 -5.491 10.648 1.00 0.00 H new ATOM 0 HB THR A 27 -4.361 -2.577 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.156 -2.351 10.564 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.498 -2.881 13.241 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.806 -4.043 12.915 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.109 -4.581 12.882 1.00 0.00 H new ATOM 442 N SER A 28 -6.373 -4.189 9.596 1.00 0.00 N ATOM 443 CA SER A 28 -7.810 -4.401 9.560 1.00 0.00 C ATOM 444 C SER A 28 -8.122 -5.788 8.994 1.00 0.00 C ATOM 445 O SER A 28 -8.987 -6.493 9.511 1.00 0.00 O ATOM 446 CB SER A 28 -8.505 -3.320 8.729 1.00 0.00 C ATOM 447 OG SER A 28 -9.751 -3.770 8.204 1.00 0.00 O ATOM 0 H SER A 28 -6.039 -3.425 9.008 1.00 0.00 H new ATOM 0 HA SER A 28 -8.190 -4.339 10.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.669 -2.437 9.347 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.854 -3.018 7.909 1.00 0.00 H new ATOM 0 HG SER A 28 -10.164 -3.052 7.681 1.00 0.00 H new ATOM 453 N THR A 29 -7.399 -6.138 7.941 1.00 0.00 N ATOM 454 CA THR A 29 -7.587 -7.428 7.299 1.00 0.00 C ATOM 455 C THR A 29 -7.310 -8.561 8.289 1.00 0.00 C ATOM 456 O THR A 29 -8.228 -9.269 8.701 1.00 0.00 O ATOM 457 CB THR A 29 -6.693 -7.474 6.058 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.180 -6.413 5.241 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.925 -8.730 5.216 1.00 0.00 C ATOM 0 H THR A 29 -6.682 -5.551 7.516 1.00 0.00 H new ATOM 0 HA THR A 29 -8.620 -7.563 6.978 1.00 0.00 H new ATOM 0 HB THR A 29 -5.647 -7.429 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.815 -5.561 5.559 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.266 -8.713 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.712 -9.615 5.816 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.963 -8.758 4.883 1.00 0.00 H new ATOM 467 N ALA A 30 -6.041 -8.698 8.643 1.00 0.00 N ATOM 468 CA ALA A 30 -5.631 -9.733 9.577 1.00 0.00 C ATOM 469 C ALA A 30 -6.537 -9.689 10.809 1.00 0.00 C ATOM 470 O ALA A 30 -6.710 -10.697 11.493 1.00 0.00 O ATOM 471 CB ALA A 30 -4.155 -9.546 9.932 1.00 0.00 C ATOM 0 H ALA A 30 -5.282 -8.109 8.300 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.735 -10.720 9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.848 -10.323 10.633 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.552 -9.615 9.027 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.012 -8.567 10.390 1.00 0.00 H new ATOM 477 N THR A 31 -7.091 -8.511 11.055 1.00 0.00 N ATOM 478 CA THR A 31 -7.975 -8.322 12.193 1.00 0.00 C ATOM 479 C THR A 31 -9.313 -9.023 11.951 1.00 0.00 C ATOM 480 O THR A 31 -9.936 -9.521 12.888 1.00 0.00 O ATOM 481 CB THR A 31 -8.113 -6.819 12.441 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.026 -6.510 13.310 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.357 -6.472 13.261 1.00 0.00 C ATOM 0 H THR A 31 -6.945 -7.677 10.486 1.00 0.00 H new ATOM 0 HA THR A 31 -7.563 -8.778 13.093 1.00 0.00 H new ATOM 0 HB THR A 31 -8.151 -6.295 11.486 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.278 -6.157 12.785 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.407 -5.393 13.408 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.248 -6.807 12.730 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.304 -6.968 14.230 1.00 0.00 H new ATOM 491 N VAL A 32 -9.717 -9.040 10.689 1.00 0.00 N ATOM 492 CA VAL A 32 -10.970 -9.671 10.312 1.00 0.00 C ATOM 493 C VAL A 32 -10.831 -11.189 10.446 1.00 0.00 C ATOM 494 O VAL A 32 -11.830 -11.903 10.516 1.00 0.00 O ATOM 495 CB VAL A 32 -11.375 -9.230 8.904 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.818 -9.635 8.597 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.179 -7.723 8.724 1.00 0.00 C ATOM 0 H VAL A 32 -9.198 -8.626 9.914 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.772 -9.357 10.980 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.725 -9.740 8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.081 -9.310 7.590 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.914 -10.719 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.489 -9.165 9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.474 -7.436 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.793 -7.187 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.130 -7.471 8.881 1.00 0.00 H new ATOM 507 N LEU A 33 -9.585 -11.637 10.477 1.00 0.00 N ATOM 508 CA LEU A 33 -9.303 -13.057 10.601 1.00 0.00 C ATOM 509 C LEU A 33 -9.579 -13.504 12.038 1.00 0.00 C ATOM 510 O LEU A 33 -10.048 -14.618 12.266 1.00 0.00 O ATOM 511 CB LEU A 33 -7.882 -13.365 10.124 1.00 0.00 C ATOM 512 CG LEU A 33 -7.703 -13.535 8.614 1.00 0.00 C ATOM 513 CD1 LEU A 33 -8.583 -14.668 8.082 1.00 0.00 C ATOM 514 CD2 LEU A 33 -7.960 -12.217 7.880 1.00 0.00 C ATOM 0 H LEU A 33 -8.759 -11.042 10.418 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.964 -13.634 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.226 -12.562 10.459 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.545 -14.278 10.615 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.667 -13.814 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.437 -14.768 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.310 -15.602 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.630 -14.442 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.826 -12.365 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.979 -11.884 8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.258 -11.461 8.232 1.00 0.00 H new ATOM 526 N GLY A 34 -9.278 -12.612 12.970 1.00 0.00 N ATOM 527 CA GLY A 34 -9.488 -12.900 14.378 1.00 0.00 C ATOM 528 C GLY A 34 -8.156 -13.116 15.098 1.00 0.00 C ATOM 529 O GLY A 34 -8.091 -13.847 16.086 1.00 0.00 O ATOM 0 H GLY A 34 -8.890 -11.689 12.777 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.028 -12.076 14.845 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.110 -13.789 14.482 1.00 0.00 H new ATOM 533 N HIS A 35 -7.125 -12.468 14.577 1.00 0.00 N ATOM 534 CA HIS A 35 -5.798 -12.580 15.157 1.00 0.00 C ATOM 535 C HIS A 35 -5.125 -11.206 15.168 1.00 0.00 C ATOM 536 O HIS A 35 -5.652 -10.248 14.605 1.00 0.00 O ATOM 537 CB HIS A 35 -4.973 -13.640 14.425 1.00 0.00 C ATOM 538 CG HIS A 35 -5.308 -15.059 14.818 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.088 -15.556 16.091 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.850 -16.080 14.094 1.00 0.00 C ATOM 541 CE1 HIS A 35 -5.482 -16.821 16.119 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.954 -17.143 14.881 1.00 0.00 N ATOM 0 H HIS A 35 -7.182 -11.863 13.758 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.876 -12.915 16.191 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.124 -13.526 13.352 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.916 -13.460 14.619 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.145 -16.031 13.056 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.437 -17.481 16.973 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.326 -18.052 14.605 1.00 0.00 H new ATOM 550 N ASP A 36 -3.969 -11.154 15.813 1.00 0.00 N ATOM 551 CA ASP A 36 -3.217 -9.914 15.904 1.00 0.00 C ATOM 552 C ASP A 36 -1.725 -10.215 15.753 1.00 0.00 C ATOM 553 O ASP A 36 -0.990 -10.241 16.739 1.00 0.00 O ATOM 554 CB ASP A 36 -3.429 -9.240 17.261 1.00 0.00 C ATOM 555 CG ASP A 36 -4.750 -8.483 17.409 1.00 0.00 C ATOM 556 OD1 ASP A 36 -5.425 -8.176 16.414 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.086 -8.204 18.622 1.00 0.00 O ATOM 0 H ASP A 36 -3.534 -11.951 16.278 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.565 -9.250 15.113 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.375 -10.001 18.040 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.608 -8.545 17.436 1.00 0.00 H new ATOM 563 N ASP A 37 -1.321 -10.434 14.510 1.00 0.00 N ATOM 564 CA ASP A 37 0.071 -10.732 14.217 1.00 0.00 C ATOM 565 C ASP A 37 0.363 -10.392 12.755 1.00 0.00 C ATOM 566 O ASP A 37 0.290 -11.259 11.885 1.00 0.00 O ATOM 567 CB ASP A 37 0.372 -12.218 14.427 1.00 0.00 C ATOM 568 CG ASP A 37 -0.845 -13.141 14.351 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.573 -13.322 15.339 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.038 -13.696 13.203 1.00 0.00 O ATOM 0 H ASP A 37 -1.933 -10.411 13.694 1.00 0.00 H new ATOM 0 HA ASP A 37 0.692 -10.140 14.889 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.097 -12.536 13.678 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.844 -12.343 15.401 1.00 0.00 H new ATOM 576 N PRO A 38 0.699 -9.095 12.522 1.00 0.00 N ATOM 577 CA PRO A 38 1.003 -8.630 11.180 1.00 0.00 C ATOM 578 C PRO A 38 2.389 -9.103 10.736 1.00 0.00 C ATOM 579 O PRO A 38 2.687 -9.131 9.543 1.00 0.00 O ATOM 580 CB PRO A 38 0.888 -7.116 11.252 1.00 0.00 C ATOM 581 CG PRO A 38 0.981 -6.761 12.727 1.00 0.00 C ATOM 582 CD PRO A 38 0.796 -8.041 13.527 1.00 0.00 C ATOM 0 HA PRO A 38 0.321 -9.033 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.685 -6.636 10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.056 -6.775 10.827 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.947 -6.307 12.950 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.217 -6.031 12.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.636 -8.212 14.200 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.102 -7.997 14.143 1.00 0.00 H new ATOM 590 N LYS A 39 3.199 -9.464 11.721 1.00 0.00 N ATOM 591 CA LYS A 39 4.546 -9.935 11.447 1.00 0.00 C ATOM 592 C LYS A 39 4.498 -10.989 10.339 1.00 0.00 C ATOM 593 O LYS A 39 5.487 -11.206 9.641 1.00 0.00 O ATOM 594 CB LYS A 39 5.214 -10.425 12.733 1.00 0.00 C ATOM 595 CG LYS A 39 6.092 -9.333 13.346 1.00 0.00 C ATOM 596 CD LYS A 39 7.290 -9.024 12.446 1.00 0.00 C ATOM 597 CE LYS A 39 8.561 -8.823 13.274 1.00 0.00 C ATOM 598 NZ LYS A 39 9.436 -7.809 12.644 1.00 0.00 N ATOM 0 H LYS A 39 2.948 -9.440 12.709 1.00 0.00 H new ATOM 0 HA LYS A 39 5.168 -9.118 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.451 -10.728 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.819 -11.306 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.502 -8.429 13.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.443 -9.651 14.328 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.438 -9.840 11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.088 -8.127 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.298 -8.508 14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.096 -9.768 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.294 -7.685 13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.702 -8.125 11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.928 -6.904 12.580 1.00 0.00 H new ATOM 611 N ALA A 40 3.337 -11.615 10.212 1.00 0.00 N ATOM 612 CA ALA A 40 3.147 -12.641 9.200 1.00 0.00 C ATOM 613 C ALA A 40 2.384 -12.046 8.015 1.00 0.00 C ATOM 614 O ALA A 40 1.424 -12.642 7.528 1.00 0.00 O ATOM 615 CB ALA A 40 2.424 -13.839 9.818 1.00 0.00 C ATOM 0 H ALA A 40 2.519 -11.432 10.793 1.00 0.00 H new ATOM 0 HA ALA A 40 4.108 -12.997 8.828 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.281 -14.609 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.021 -14.242 10.636 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.454 -13.521 10.199 1.00 0.00 H new ATOM 621 N VAL A 41 2.840 -10.879 7.584 1.00 0.00 N ATOM 622 CA VAL A 41 2.212 -10.198 6.464 1.00 0.00 C ATOM 623 C VAL A 41 3.296 -9.640 5.540 1.00 0.00 C ATOM 624 O VAL A 41 4.361 -9.231 6.001 1.00 0.00 O ATOM 625 CB VAL A 41 1.252 -9.123 6.977 1.00 0.00 C ATOM 626 CG1 VAL A 41 0.727 -8.262 5.827 1.00 0.00 C ATOM 627 CG2 VAL A 41 0.099 -9.748 7.765 1.00 0.00 C ATOM 0 H VAL A 41 3.637 -10.388 7.990 1.00 0.00 H new ATOM 0 HA VAL A 41 1.614 -10.896 5.879 1.00 0.00 H new ATOM 0 HB VAL A 41 1.807 -8.474 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.047 -7.506 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.563 -7.773 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.196 -8.892 5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.568 -8.962 8.118 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.454 -10.431 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.497 -10.297 8.619 1.00 0.00 H new ATOM 637 N ARG A 42 2.988 -9.640 4.251 1.00 0.00 N ATOM 638 CA ARG A 42 3.922 -9.138 3.258 1.00 0.00 C ATOM 639 C ARG A 42 3.317 -7.946 2.515 1.00 0.00 C ATOM 640 O ARG A 42 4.003 -7.279 1.741 1.00 0.00 O ATOM 641 CB ARG A 42 4.289 -10.227 2.248 1.00 0.00 C ATOM 642 CG ARG A 42 5.764 -10.615 2.372 1.00 0.00 C ATOM 643 CD ARG A 42 6.400 -10.799 0.993 1.00 0.00 C ATOM 644 NE ARG A 42 6.607 -12.239 0.719 1.00 0.00 N ATOM 645 CZ ARG A 42 7.216 -12.719 -0.387 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.683 -11.876 -1.332 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.347 -14.025 -0.529 1.00 0.00 N ATOM 0 H ARG A 42 2.104 -9.980 3.872 1.00 0.00 H new ATOM 0 HA ARG A 42 4.825 -8.824 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.663 -11.105 2.411 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.086 -9.874 1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.301 -9.844 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.854 -11.538 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.759 -10.363 0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.353 -10.271 0.950 1.00 0.00 H new ATOM 0 HE ARG A 42 6.269 -12.910 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.577 -10.868 -1.214 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.142 -12.247 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.991 -14.654 0.190 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.804 -14.405 -1.358 1.00 0.00 H new ATOM 660 N ALA A 43 2.039 -7.713 2.776 1.00 0.00 N ATOM 661 CA ALA A 43 1.335 -6.612 2.141 1.00 0.00 C ATOM 662 C ALA A 43 0.830 -7.060 0.768 1.00 0.00 C ATOM 663 O ALA A 43 -0.344 -6.883 0.446 1.00 0.00 O ATOM 664 CB ALA A 43 2.259 -5.396 2.054 1.00 0.00 C ATOM 0 H ALA A 43 1.473 -8.268 3.418 1.00 0.00 H new ATOM 0 HA ALA A 43 0.467 -6.320 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.730 -4.571 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.566 -5.100 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.140 -5.650 1.465 1.00 0.00 H new ATOM 670 N THR A 44 1.742 -7.630 -0.006 1.00 0.00 N ATOM 671 CA THR A 44 1.404 -8.104 -1.337 1.00 0.00 C ATOM 672 C THR A 44 0.931 -9.558 -1.281 1.00 0.00 C ATOM 673 O THR A 44 1.276 -10.360 -2.147 1.00 0.00 O ATOM 674 CB THR A 44 2.624 -7.896 -2.237 1.00 0.00 C ATOM 675 OG1 THR A 44 3.708 -8.429 -1.480 1.00 0.00 O ATOM 676 CG2 THR A 44 2.980 -6.418 -2.408 1.00 0.00 C ATOM 0 H THR A 44 2.715 -7.774 0.264 1.00 0.00 H new ATOM 0 HA THR A 44 0.572 -7.540 -1.758 1.00 0.00 H new ATOM 0 HB THR A 44 2.434 -8.339 -3.215 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.540 -8.337 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.852 -6.326 -3.055 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.138 -5.891 -2.857 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.203 -5.983 -1.434 1.00 0.00 H new ATOM 684 N THR A 45 0.148 -9.852 -0.254 1.00 0.00 N ATOM 685 CA THR A 45 -0.376 -11.196 -0.074 1.00 0.00 C ATOM 686 C THR A 45 -1.779 -11.306 -0.675 1.00 0.00 C ATOM 687 O THR A 45 -2.550 -10.348 -0.640 1.00 0.00 O ATOM 688 CB THR A 45 -0.328 -11.526 1.419 1.00 0.00 C ATOM 689 OG1 THR A 45 0.733 -12.471 1.531 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.564 -12.296 1.889 1.00 0.00 C ATOM 0 H THR A 45 -0.136 -9.183 0.462 1.00 0.00 H new ATOM 0 HA THR A 45 0.230 -11.931 -0.604 1.00 0.00 H new ATOM 0 HB THR A 45 -0.236 -10.603 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.835 -12.739 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.479 -12.505 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.457 -11.698 1.706 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.638 -13.235 1.340 1.00 0.00 H new ATOM 698 N PRO A 46 -2.075 -12.513 -1.227 1.00 0.00 N ATOM 699 CA PRO A 46 -3.371 -12.761 -1.835 1.00 0.00 C ATOM 700 C PRO A 46 -4.451 -12.945 -0.767 1.00 0.00 C ATOM 701 O PRO A 46 -4.559 -14.013 -0.165 1.00 0.00 O ATOM 702 CB PRO A 46 -3.171 -13.997 -2.697 1.00 0.00 C ATOM 703 CG PRO A 46 -1.906 -14.664 -2.182 1.00 0.00 C ATOM 704 CD PRO A 46 -1.186 -13.670 -1.286 1.00 0.00 C ATOM 0 HA PRO A 46 -3.720 -11.923 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.026 -14.669 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.070 -13.728 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.151 -15.570 -1.627 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.266 -14.962 -3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.011 -14.086 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.212 -13.401 -1.695 1.00 0.00 H new ATOM 712 N PHE A 47 -5.224 -11.889 -0.564 1.00 0.00 N ATOM 713 CA PHE A 47 -6.292 -11.921 0.421 1.00 0.00 C ATOM 714 C PHE A 47 -7.127 -13.195 0.283 1.00 0.00 C ATOM 715 O PHE A 47 -7.615 -13.732 1.276 1.00 0.00 O ATOM 716 CB PHE A 47 -7.185 -10.708 0.151 1.00 0.00 C ATOM 717 CG PHE A 47 -8.217 -10.929 -0.957 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.849 -10.811 -2.261 1.00 0.00 C ATOM 719 CD2 PHE A 47 -9.500 -11.245 -0.638 1.00 0.00 C ATOM 720 CE1 PHE A 47 -8.806 -11.016 -3.290 1.00 0.00 C ATOM 721 CE2 PHE A 47 -10.457 -11.451 -1.667 1.00 0.00 C ATOM 722 CZ PHE A 47 -10.090 -11.332 -2.971 1.00 0.00 C ATOM 0 H PHE A 47 -5.132 -11.005 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.872 -11.902 1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.706 -10.441 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.556 -9.859 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.829 -10.561 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.792 -11.339 0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.514 -10.921 -4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.476 -11.702 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.818 -11.488 -3.753 1.00 0.00 H new ATOM 732 N LYS A 48 -7.265 -13.643 -0.956 1.00 0.00 N ATOM 733 CA LYS A 48 -8.032 -14.844 -1.237 1.00 0.00 C ATOM 734 C LYS A 48 -7.500 -15.995 -0.381 1.00 0.00 C ATOM 735 O LYS A 48 -8.218 -16.958 -0.114 1.00 0.00 O ATOM 736 CB LYS A 48 -8.031 -15.142 -2.737 1.00 0.00 C ATOM 737 CG LYS A 48 -9.398 -15.657 -3.195 1.00 0.00 C ATOM 738 CD LYS A 48 -9.337 -17.149 -3.530 1.00 0.00 C ATOM 739 CE LYS A 48 -10.578 -17.878 -3.009 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.186 -19.050 -2.195 1.00 0.00 N ATOM 0 H LYS A 48 -6.858 -13.195 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.078 -14.700 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.775 -14.239 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.265 -15.883 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.136 -15.486 -2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.727 -15.097 -4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.260 -17.280 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.441 -17.588 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.182 -17.197 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.197 -18.200 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.039 -19.534 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.628 -19.706 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.615 -18.735 -1.385 1.00 0.00 H new ATOM 753 N GLU A 49 -6.247 -15.858 0.026 1.00 0.00 N ATOM 754 CA GLU A 49 -5.611 -16.875 0.846 1.00 0.00 C ATOM 755 C GLU A 49 -5.844 -16.583 2.329 1.00 0.00 C ATOM 756 O GLU A 49 -5.750 -17.481 3.165 1.00 0.00 O ATOM 757 CB GLU A 49 -4.116 -16.974 0.535 1.00 0.00 C ATOM 758 CG GLU A 49 -3.338 -15.845 1.216 1.00 0.00 C ATOM 759 CD GLU A 49 -2.382 -16.399 2.274 1.00 0.00 C ATOM 760 OE1 GLU A 49 -1.977 -17.568 2.192 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.059 -15.567 3.206 1.00 0.00 O ATOM 0 H GLU A 49 -5.655 -15.058 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.062 -17.839 0.610 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.734 -17.938 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.961 -16.928 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.775 -15.285 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.035 -15.147 1.680 1.00 0.00 H new ATOM 769 N LEU A 50 -6.144 -15.323 2.612 1.00 0.00 N ATOM 770 CA LEU A 50 -6.391 -14.901 3.980 1.00 0.00 C ATOM 771 C LEU A 50 -7.750 -15.436 4.436 1.00 0.00 C ATOM 772 O LEU A 50 -8.128 -15.274 5.595 1.00 0.00 O ATOM 773 CB LEU A 50 -6.254 -13.383 4.106 1.00 0.00 C ATOM 774 CG LEU A 50 -4.831 -12.828 4.015 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.838 -11.377 3.530 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.097 -12.983 5.348 1.00 0.00 C ATOM 0 H LEU A 50 -6.221 -14.581 1.916 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.641 -15.322 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.855 -12.918 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.681 -13.078 5.061 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.283 -13.412 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.814 -11.007 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.297 -11.326 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.408 -10.763 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.088 -12.581 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.635 -12.440 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.044 -14.039 5.614 1.00 0.00 H new ATOM 788 N GLY A 51 -8.448 -16.063 3.500 1.00 0.00 N ATOM 789 CA GLY A 51 -9.757 -16.623 3.791 1.00 0.00 C ATOM 790 C GLY A 51 -10.807 -15.518 3.931 1.00 0.00 C ATOM 791 O GLY A 51 -11.420 -15.370 4.987 1.00 0.00 O ATOM 0 H GLY A 51 -8.132 -16.196 2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.049 -17.308 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.711 -17.205 4.712 1.00 0.00 H new ATOM 795 N PHE A 52 -10.981 -14.772 2.850 1.00 0.00 N ATOM 796 CA PHE A 52 -11.946 -13.685 2.839 1.00 0.00 C ATOM 797 C PHE A 52 -13.070 -13.960 1.838 1.00 0.00 C ATOM 798 O PHE A 52 -12.810 -14.277 0.679 1.00 0.00 O ATOM 799 CB PHE A 52 -11.194 -12.424 2.409 1.00 0.00 C ATOM 800 CG PHE A 52 -10.829 -11.492 3.567 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.811 -11.966 4.842 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.524 -10.190 3.321 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.473 -11.101 5.916 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.185 -9.325 4.395 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.167 -9.799 5.670 1.00 0.00 C ATOM 0 H PHE A 52 -10.471 -14.898 1.976 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.394 -13.575 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.281 -12.717 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.806 -11.875 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.054 -13.000 5.037 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.540 -9.814 2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.459 -11.477 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.942 -8.291 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.910 -9.141 6.487 1.00 0.00 H new ATOM 815 N ASP A 53 -14.296 -13.830 2.324 1.00 0.00 N ATOM 816 CA ASP A 53 -15.461 -14.061 1.486 1.00 0.00 C ATOM 817 C ASP A 53 -16.465 -12.925 1.693 1.00 0.00 C ATOM 818 O ASP A 53 -16.268 -12.066 2.550 1.00 0.00 O ATOM 819 CB ASP A 53 -16.152 -15.375 1.854 1.00 0.00 C ATOM 820 CG ASP A 53 -15.358 -16.639 1.516 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.146 -17.508 2.374 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.945 -16.714 0.296 1.00 0.00 O ATOM 0 H ASP A 53 -14.508 -13.568 3.287 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.127 -14.107 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.362 -15.371 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.113 -15.419 1.341 1.00 0.00 H new ATOM 828 N SER A 54 -17.520 -12.958 0.892 1.00 0.00 N ATOM 829 CA SER A 54 -18.556 -11.942 0.976 1.00 0.00 C ATOM 830 C SER A 54 -18.749 -11.512 2.431 1.00 0.00 C ATOM 831 O SER A 54 -19.026 -10.345 2.706 1.00 0.00 O ATOM 832 CB SER A 54 -19.875 -12.451 0.393 1.00 0.00 C ATOM 833 OG SER A 54 -19.728 -12.895 -0.953 1.00 0.00 O ATOM 0 H SER A 54 -17.680 -13.672 0.182 1.00 0.00 H new ATOM 0 HA SER A 54 -18.239 -11.081 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.250 -13.271 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.620 -11.656 0.433 1.00 0.00 H new ATOM 0 HG SER A 54 -20.592 -13.214 -1.288 1.00 0.00 H new ATOM 839 N LEU A 55 -18.597 -12.477 3.326 1.00 0.00 N ATOM 840 CA LEU A 55 -18.751 -12.213 4.746 1.00 0.00 C ATOM 841 C LEU A 55 -17.588 -11.344 5.229 1.00 0.00 C ATOM 842 O LEU A 55 -17.776 -10.173 5.555 1.00 0.00 O ATOM 843 CB LEU A 55 -18.903 -13.523 5.522 1.00 0.00 C ATOM 844 CG LEU A 55 -20.177 -14.323 5.243 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.193 -13.483 4.467 1.00 0.00 C ATOM 846 CD2 LEU A 55 -19.854 -15.637 4.529 1.00 0.00 C ATOM 0 H LEU A 55 -18.369 -13.444 3.095 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.667 -11.652 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.044 -14.156 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.865 -13.298 6.588 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.635 -14.580 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.089 -14.075 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.456 -12.600 5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.759 -13.174 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.777 -16.186 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.361 -15.424 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.194 -16.238 5.154 1.00 0.00 H new ATOM 858 N ALA A 56 -16.410 -11.951 5.258 1.00 0.00 N ATOM 859 CA ALA A 56 -15.216 -11.248 5.695 1.00 0.00 C ATOM 860 C ALA A 56 -15.049 -9.973 4.866 1.00 0.00 C ATOM 861 O ALA A 56 -14.697 -8.922 5.400 1.00 0.00 O ATOM 862 CB ALA A 56 -14.007 -12.178 5.585 1.00 0.00 C ATOM 0 H ALA A 56 -16.257 -12.922 4.986 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.305 -10.952 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.111 -11.651 5.913 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.163 -13.054 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.884 -12.493 4.549 1.00 0.00 H new ATOM 868 N ALA A 57 -15.309 -10.107 3.574 1.00 0.00 N ATOM 869 CA ALA A 57 -15.191 -8.979 2.666 1.00 0.00 C ATOM 870 C ALA A 57 -16.145 -7.869 3.112 1.00 0.00 C ATOM 871 O ALA A 57 -15.873 -6.688 2.898 1.00 0.00 O ATOM 872 CB ALA A 57 -15.467 -9.444 1.234 1.00 0.00 C ATOM 0 H ALA A 57 -15.601 -10.980 3.134 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.179 -8.574 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.378 -8.597 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.745 -10.211 0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.475 -9.855 1.173 1.00 0.00 H new ATOM 878 N VAL A 58 -17.243 -8.286 3.724 1.00 0.00 N ATOM 879 CA VAL A 58 -18.238 -7.342 4.203 1.00 0.00 C ATOM 880 C VAL A 58 -17.779 -6.758 5.540 1.00 0.00 C ATOM 881 O VAL A 58 -17.772 -5.541 5.720 1.00 0.00 O ATOM 882 CB VAL A 58 -19.607 -8.021 4.285 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.413 -7.488 5.472 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.382 -7.854 2.977 1.00 0.00 C ATOM 0 H VAL A 58 -17.466 -9.266 3.899 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.344 -6.511 3.505 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.443 -9.087 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.382 -7.987 5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.870 -7.683 6.397 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.562 -6.414 5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.351 -8.346 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.530 -6.793 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.818 -8.304 2.160 1.00 0.00 H new ATOM 894 N ARG A 59 -17.408 -7.652 6.444 1.00 0.00 N ATOM 895 CA ARG A 59 -16.949 -7.241 7.760 1.00 0.00 C ATOM 896 C ARG A 59 -15.709 -6.353 7.635 1.00 0.00 C ATOM 897 O ARG A 59 -15.324 -5.680 8.591 1.00 0.00 O ATOM 898 CB ARG A 59 -16.614 -8.453 8.631 1.00 0.00 C ATOM 899 CG ARG A 59 -17.586 -8.570 9.806 1.00 0.00 C ATOM 900 CD ARG A 59 -17.011 -9.462 10.908 1.00 0.00 C ATOM 901 NE ARG A 59 -17.264 -10.885 10.590 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.872 -11.916 11.369 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.203 -11.689 12.520 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.151 -13.148 10.988 1.00 0.00 N ATOM 0 H ARG A 59 -17.416 -8.660 6.291 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.756 -6.681 8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.655 -9.361 8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.594 -8.365 9.006 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.796 -7.579 10.208 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.534 -8.981 9.459 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.940 -9.288 11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.465 -9.209 11.866 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.766 -11.100 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.990 -10.733 12.806 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.910 -12.473 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.656 -13.310 10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.862 -13.938 11.565 1.00 0.00 H new ATOM 917 N LEU A 60 -15.118 -6.379 6.450 1.00 0.00 N ATOM 918 CA LEU A 60 -13.930 -5.585 6.188 1.00 0.00 C ATOM 919 C LEU A 60 -14.347 -4.185 5.733 1.00 0.00 C ATOM 920 O LEU A 60 -13.946 -3.188 6.332 1.00 0.00 O ATOM 921 CB LEU A 60 -13.011 -6.305 5.199 1.00 0.00 C ATOM 922 CG LEU A 60 -11.599 -5.734 5.057 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.630 -6.423 6.020 1.00 0.00 C ATOM 924 CD2 LEU A 60 -11.118 -5.813 3.607 1.00 0.00 C ATOM 0 H LEU A 60 -15.440 -6.938 5.660 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.345 -5.463 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.930 -7.349 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.486 -6.294 4.218 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.629 -4.679 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.633 -5.999 5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.967 -6.271 7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.599 -7.491 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.112 -5.400 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.108 -6.854 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.791 -5.241 2.969 1.00 0.00 H new ATOM 936 N ARG A 61 -15.148 -4.155 4.678 1.00 0.00 N ATOM 937 CA ARG A 61 -15.624 -2.894 4.136 1.00 0.00 C ATOM 938 C ARG A 61 -16.140 -1.994 5.260 1.00 0.00 C ATOM 939 O ARG A 61 -15.877 -0.792 5.269 1.00 0.00 O ATOM 940 CB ARG A 61 -16.744 -3.120 3.118 1.00 0.00 C ATOM 941 CG ARG A 61 -16.594 -2.180 1.920 1.00 0.00 C ATOM 942 CD ARG A 61 -17.033 -0.759 2.280 1.00 0.00 C ATOM 943 NE ARG A 61 -18.503 -0.712 2.452 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.388 -0.878 1.447 1.00 0.00 C ATOM 945 NH1 ARG A 61 -18.960 -1.105 0.187 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.679 -0.816 1.715 1.00 0.00 N ATOM 0 H ARG A 61 -15.479 -4.984 4.184 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.785 -2.411 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.727 -4.155 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.711 -2.957 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.556 -2.171 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.192 -2.549 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.541 -0.439 3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.728 -0.066 1.496 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.870 -0.544 3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.961 -1.152 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.636 -1.229 -0.567 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.994 -0.645 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.362 -0.939 0.967 1.00 0.00 H new ATOM 959 N ASN A 62 -16.866 -2.609 6.182 1.00 0.00 N ATOM 960 CA ASN A 62 -17.421 -1.879 7.309 1.00 0.00 C ATOM 961 C ASN A 62 -16.283 -1.414 8.220 1.00 0.00 C ATOM 962 O ASN A 62 -16.384 -0.368 8.860 1.00 0.00 O ATOM 963 CB ASN A 62 -18.355 -2.766 8.134 1.00 0.00 C ATOM 964 CG ASN A 62 -19.813 -2.565 7.715 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.474 -1.617 8.107 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.276 -3.508 6.900 1.00 0.00 N ATOM 0 H ASN A 62 -17.083 -3.606 6.171 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.982 -1.031 6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.077 -3.812 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.242 -2.534 9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.238 -3.465 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.669 -4.275 6.610 1.00 0.00 H new ATOM 973 N LEU A 63 -15.227 -2.213 8.250 1.00 0.00 N ATOM 974 CA LEU A 63 -14.072 -1.897 9.072 1.00 0.00 C ATOM 975 C LEU A 63 -13.187 -0.890 8.335 1.00 0.00 C ATOM 976 O LEU A 63 -12.467 -0.114 8.962 1.00 0.00 O ATOM 977 CB LEU A 63 -13.338 -3.176 9.481 1.00 0.00 C ATOM 978 CG LEU A 63 -12.687 -3.162 10.865 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.395 -4.584 11.348 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.432 -2.286 10.872 1.00 0.00 C ATOM 0 H LEU A 63 -15.147 -3.079 7.718 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.386 -1.426 10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.045 -4.005 9.442 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.565 -3.381 8.740 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.392 -2.721 11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.932 -4.545 12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.327 -5.147 11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.718 -5.074 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.989 -2.293 11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.713 -2.675 10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.700 -1.265 10.602 1.00 0.00 H new ATOM 992 N LEU A 64 -13.269 -0.934 7.013 1.00 0.00 N ATOM 993 CA LEU A 64 -12.485 -0.035 6.184 1.00 0.00 C ATOM 994 C LEU A 64 -13.018 1.391 6.340 1.00 0.00 C ATOM 995 O LEU A 64 -12.270 2.356 6.190 1.00 0.00 O ATOM 996 CB LEU A 64 -12.460 -0.527 4.735 1.00 0.00 C ATOM 997 CG LEU A 64 -11.298 -1.448 4.360 1.00 0.00 C ATOM 998 CD1 LEU A 64 -11.783 -2.628 3.515 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.181 -0.666 3.664 1.00 0.00 C ATOM 0 H LEU A 64 -13.867 -1.579 6.496 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.445 -0.025 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.394 -1.053 4.534 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.436 0.342 4.077 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.880 -1.860 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.937 -3.267 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.516 -3.203 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.242 -2.255 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.367 -1.344 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.570 -0.207 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.809 0.111 4.333 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.305 1.478 6.639 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.947 2.770 6.817 1.00 0.00 C ATOM 1013 C ASN A 65 -14.220 3.547 7.916 1.00 0.00 C ATOM 1014 O ASN A 65 -14.333 4.770 7.995 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.408 2.606 7.240 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.311 2.396 6.023 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.204 1.420 5.299 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.204 3.364 5.839 1.00 0.00 N ATOM 0 H ASN A 65 -14.922 0.675 6.763 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.905 3.302 5.866 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.501 1.757 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.732 3.489 7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.853 3.316 5.054 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.240 4.154 6.483 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.491 2.807 8.738 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.747 3.412 9.829 1.00 0.00 C ATOM 1027 C ALA A 66 -11.351 3.799 9.336 1.00 0.00 C ATOM 1028 O ALA A 66 -10.688 4.642 9.938 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.699 2.444 11.013 1.00 0.00 C ATOM 0 H ALA A 66 -13.400 1.793 8.670 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.240 4.322 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.141 2.898 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.714 2.224 11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.208 1.520 10.708 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.946 3.164 8.246 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.642 3.431 7.665 1.00 0.00 C ATOM 1037 C ALA A 67 -9.723 4.688 6.796 1.00 0.00 C ATOM 1038 O ALA A 67 -8.737 5.408 6.646 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.173 2.207 6.877 1.00 0.00 C ATOM 0 H ALA A 67 -11.499 2.465 7.750 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.905 3.617 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.194 2.408 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.103 1.349 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.887 1.991 6.082 1.00 0.00 H new ATOM 1045 N THR A 68 -10.907 4.913 6.246 1.00 0.00 N ATOM 1046 CA THR A 68 -11.130 6.070 5.396 1.00 0.00 C ATOM 1047 C THR A 68 -12.162 7.006 6.028 1.00 0.00 C ATOM 1048 O THR A 68 -11.819 8.095 6.486 1.00 0.00 O ATOM 1049 CB THR A 68 -11.535 5.567 4.009 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.298 4.393 4.275 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.341 5.059 3.198 1.00 0.00 C ATOM 0 H THR A 68 -11.722 4.313 6.373 1.00 0.00 H new ATOM 0 HA THR A 68 -10.222 6.663 5.290 1.00 0.00 H new ATOM 0 HB THR A 68 -12.030 6.370 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.970 4.273 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.684 4.714 2.223 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.622 5.867 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.866 4.234 3.728 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.405 6.547 6.033 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.489 7.329 6.602 1.00 0.00 C ATOM 1061 C GLY A 69 -15.588 7.577 5.567 1.00 0.00 C ATOM 1062 O GLY A 69 -16.600 8.208 5.869 1.00 0.00 O ATOM 0 H GLY A 69 -13.685 5.643 5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.906 6.806 7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.104 8.282 6.964 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.352 7.067 4.367 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.310 7.225 3.285 1.00 0.00 C ATOM 1068 C LEU A 70 -16.823 5.848 2.859 1.00 0.00 C ATOM 1069 O LEU A 70 -16.496 4.839 3.483 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.696 8.034 2.141 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.318 7.576 1.659 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.433 6.339 0.765 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.573 8.717 0.965 1.00 0.00 C ATOM 0 H LEU A 70 -14.512 6.544 4.120 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.175 7.797 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.382 8.007 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.621 9.074 2.458 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.729 7.290 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.440 6.034 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.895 5.526 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.047 6.574 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.597 8.365 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.149 9.057 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.442 9.544 1.663 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.619 5.850 1.800 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.180 4.614 1.283 1.00 0.00 C ATOM 1087 C ARG A 71 -17.235 3.991 0.253 1.00 0.00 C ATOM 1088 O ARG A 71 -17.162 4.452 -0.886 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.543 4.857 0.633 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.663 4.814 1.674 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.857 5.663 1.231 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.007 6.832 2.127 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.173 7.479 2.337 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.302 7.075 1.717 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.192 8.512 3.158 1.00 0.00 N ATOM 0 H ARG A 71 -17.889 6.689 1.286 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.307 3.932 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.544 5.825 0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.724 4.103 -0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.982 3.783 1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.289 5.178 2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.714 5.998 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.767 5.063 1.247 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.178 7.169 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.278 6.275 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.179 7.569 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -22.334 8.810 3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.064 9.012 3.328 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.536 2.954 0.689 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.599 2.264 -0.181 1.00 0.00 C ATOM 1110 C LEU A 72 -16.327 1.138 -0.917 1.00 0.00 C ATOM 1111 O LEU A 72 -17.403 0.712 -0.499 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.379 1.792 0.612 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.309 2.851 0.890 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.244 2.315 1.850 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.698 3.368 -0.413 1.00 0.00 C ATOM 0 H LEU A 72 -16.600 2.575 1.634 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.213 2.944 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.723 1.392 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.915 0.968 0.070 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.787 3.699 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.496 3.087 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.712 2.035 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.764 1.441 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.941 4.119 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.238 2.540 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.479 3.814 -1.029 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.695 0.674 -2.028 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.271 -0.395 -2.826 1.00 0.00 C ATOM 1129 C PRO A 73 -16.111 -1.747 -2.128 1.00 0.00 C ATOM 1130 O PRO A 73 -15.018 -2.093 -1.681 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.547 -0.325 -4.160 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.277 0.471 -3.904 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.420 1.154 -2.553 1.00 0.00 C ATOM 0 HA PRO A 73 -17.346 -0.283 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.314 -1.323 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.166 0.159 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.407 -0.186 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.124 1.210 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.595 0.895 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.417 2.239 -2.656 1.00 0.00 H new ATOM 1141 N SER A 74 -17.215 -2.476 -2.058 1.00 0.00 N ATOM 1142 CA SER A 74 -17.210 -3.782 -1.423 1.00 0.00 C ATOM 1143 C SER A 74 -16.492 -4.796 -2.316 1.00 0.00 C ATOM 1144 O SER A 74 -16.199 -5.910 -1.885 1.00 0.00 O ATOM 1145 CB SER A 74 -18.634 -4.255 -1.124 1.00 0.00 C ATOM 1146 OG SER A 74 -19.343 -4.599 -2.311 1.00 0.00 O ATOM 0 H SER A 74 -18.119 -2.187 -2.431 1.00 0.00 H new ATOM 0 HA SER A 74 -16.677 -3.699 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.597 -5.119 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.173 -3.469 -0.595 1.00 0.00 H new ATOM 0 HG SER A 74 -20.247 -4.897 -2.077 1.00 0.00 H new ATOM 1152 N THR A 75 -16.228 -4.372 -3.543 1.00 0.00 N ATOM 1153 CA THR A 75 -15.549 -5.229 -4.500 1.00 0.00 C ATOM 1154 C THR A 75 -14.034 -5.037 -4.407 1.00 0.00 C ATOM 1155 O THR A 75 -13.272 -5.767 -5.039 1.00 0.00 O ATOM 1156 CB THR A 75 -16.116 -4.928 -5.889 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.937 -3.522 -6.040 1.00 0.00 O ATOM 1158 CG2 THR A 75 -17.632 -5.121 -5.957 1.00 0.00 C ATOM 0 H THR A 75 -16.472 -3.447 -3.896 1.00 0.00 H new ATOM 0 HA THR A 75 -15.725 -6.282 -4.282 1.00 0.00 H new ATOM 0 HB THR A 75 -15.635 -5.573 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.276 -3.241 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.983 -4.894 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.879 -6.154 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.116 -4.453 -5.245 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.642 -4.050 -3.615 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.232 -3.752 -3.431 1.00 0.00 C ATOM 1168 C LEU A 76 -11.515 -5.001 -2.915 1.00 0.00 C ATOM 1169 O LEU A 76 -10.442 -5.352 -3.405 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.056 -2.526 -2.533 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.264 -2.757 -1.035 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -10.986 -3.281 -0.378 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -12.781 -1.489 -0.352 1.00 0.00 C ATOM 0 H LEU A 76 -14.277 -3.446 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.770 -3.489 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.051 -2.131 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.754 -1.756 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.028 -3.525 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.162 -3.437 0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.700 -4.226 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.184 -2.555 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.921 -1.680 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.058 -0.684 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -13.733 -1.199 -0.796 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.135 -5.637 -1.933 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.570 -6.839 -1.345 1.00 0.00 C ATOM 1187 C VAL A 77 -11.887 -8.038 -2.241 1.00 0.00 C ATOM 1188 O VAL A 77 -11.587 -9.178 -1.888 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.080 -7.012 0.087 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -13.297 -7.939 0.127 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -10.970 -7.524 1.007 1.00 0.00 C ATOM 0 H VAL A 77 -13.024 -5.342 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.485 -6.758 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.392 -6.033 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.640 -8.045 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -14.097 -7.515 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.022 -8.918 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.360 -7.638 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.613 -8.488 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.145 -6.811 1.014 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.488 -7.740 -3.383 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.849 -8.779 -4.333 1.00 0.00 C ATOM 1203 C PHE A 78 -12.136 -8.571 -5.670 1.00 0.00 C ATOM 1204 O PHE A 78 -12.110 -9.469 -6.510 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.360 -8.678 -4.553 1.00 0.00 C ATOM 1206 CG PHE A 78 -15.035 -10.017 -4.859 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -15.036 -10.503 -6.129 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.633 -10.720 -3.861 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.662 -11.746 -6.413 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.260 -11.963 -4.145 1.00 0.00 C ATOM 1211 CZ PHE A 78 -16.261 -12.449 -5.415 1.00 0.00 C ATOM 0 H PHE A 78 -12.734 -6.793 -3.672 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.558 -9.755 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.818 -8.247 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.552 -7.990 -5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.561 -9.944 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.632 -10.334 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.662 -12.133 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.736 -12.522 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.738 -13.394 -5.631 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.573 -7.381 -5.826 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.861 -7.044 -7.047 1.00 0.00 C ATOM 1223 C ASP A 79 -9.379 -6.838 -6.727 1.00 0.00 C ATOM 1224 O ASP A 79 -8.525 -6.995 -7.599 1.00 0.00 O ATOM 1225 CB ASP A 79 -11.398 -5.748 -7.658 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.969 -5.488 -9.103 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -11.544 -6.044 -10.050 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.985 -4.664 -9.239 1.00 0.00 O ATOM 0 H ASP A 79 -11.596 -6.639 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.000 -7.861 -7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.487 -5.768 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.071 -4.911 -7.042 1.00 0.00 H new ATOM 1234 N HIS A 80 -9.119 -6.490 -5.476 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.755 -6.260 -5.031 1.00 0.00 C ATOM 1236 C HIS A 80 -7.154 -7.572 -4.522 1.00 0.00 C ATOM 1237 O HIS A 80 -7.728 -8.227 -3.653 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.705 -5.142 -3.988 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.690 -5.633 -2.560 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.675 -5.305 -1.645 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.802 -6.430 -1.901 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.382 -5.884 -0.490 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.220 -6.580 -0.651 1.00 0.00 N ATOM 0 H HIS A 80 -9.830 -6.362 -4.756 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.147 -5.922 -5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.816 -4.536 -4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.567 -4.490 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.909 -6.866 -2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.961 -5.817 0.419 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.750 -7.126 0.071 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.975 -7.926 -5.100 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.290 -9.148 -4.714 1.00 0.00 C ATOM 1253 C PRO A 81 -4.614 -8.990 -3.351 1.00 0.00 C ATOM 1254 O PRO A 81 -4.668 -9.895 -2.519 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.303 -9.417 -5.839 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.144 -8.099 -6.578 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.266 -7.176 -6.132 1.00 0.00 C ATOM 0 HA PRO A 81 -5.970 -9.990 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.347 -9.762 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.673 -10.196 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.174 -7.653 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.186 -8.258 -7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.874 -6.237 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.926 -6.925 -6.963 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.992 -7.835 -3.164 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.307 -7.548 -1.916 1.00 0.00 C ATOM 1267 C ASN A 82 -3.750 -6.177 -1.399 1.00 0.00 C ATOM 1268 O ASN A 82 -4.302 -5.376 -2.151 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.790 -7.509 -2.117 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.438 -7.244 -3.582 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.265 -6.116 -4.011 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.341 -8.345 -4.322 1.00 0.00 N ATOM 0 H ASN A 82 -3.948 -7.087 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.557 -8.336 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.356 -6.731 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.353 -8.456 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.109 -8.275 -5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.499 -9.260 -3.899 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.491 -5.951 -0.120 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.857 -4.691 0.506 1.00 0.00 C ATOM 1281 C ALA A 83 -3.065 -3.555 -0.145 1.00 0.00 C ATOM 1282 O ALA A 83 -3.603 -2.474 -0.379 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.615 -4.781 2.014 1.00 0.00 C ATOM 0 H ALA A 83 -3.032 -6.618 0.500 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.916 -4.482 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.889 -3.836 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.222 -5.584 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.561 -4.987 2.202 1.00 0.00 H new ATOM 1289 N SER A 84 -1.800 -3.839 -0.418 1.00 0.00 N ATOM 1290 CA SER A 84 -0.929 -2.854 -1.037 1.00 0.00 C ATOM 1291 C SER A 84 -1.701 -2.064 -2.096 1.00 0.00 C ATOM 1292 O SER A 84 -1.402 -0.898 -2.345 1.00 0.00 O ATOM 1293 CB SER A 84 0.298 -3.520 -1.663 1.00 0.00 C ATOM 1294 OG SER A 84 1.494 -2.793 -1.395 1.00 0.00 O ATOM 0 H SER A 84 -1.357 -4.737 -0.222 1.00 0.00 H new ATOM 0 HA SER A 84 -0.583 -2.170 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.396 -4.535 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.157 -3.601 -2.741 1.00 0.00 H new ATOM 0 HG SER A 84 2.255 -3.251 -1.810 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.680 -2.731 -2.689 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.498 -2.106 -3.715 1.00 0.00 C ATOM 1302 C ALA A 85 -4.564 -1.234 -3.049 1.00 0.00 C ATOM 1303 O ALA A 85 -4.722 -0.065 -3.399 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.104 -3.186 -4.613 1.00 0.00 C ATOM 0 H ALA A 85 -2.925 -3.698 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.892 -1.459 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.717 -2.717 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.305 -3.758 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.722 -3.854 -4.013 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.269 -1.836 -2.102 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.316 -1.129 -1.385 1.00 0.00 C ATOM 1312 C VAL A 86 -5.829 0.280 -1.039 1.00 0.00 C ATOM 1313 O VAL A 86 -6.529 1.261 -1.288 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.742 -1.932 -0.155 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.708 -1.128 0.718 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.357 -3.273 -0.562 1.00 0.00 C ATOM 0 H VAL A 86 -5.135 -2.806 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.202 -1.023 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.850 -2.138 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.995 -1.722 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.221 -0.212 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.597 -0.877 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.651 -3.824 0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.234 -3.097 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.624 -3.854 -1.122 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.633 0.336 -0.472 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.045 1.609 -0.089 1.00 0.00 C ATOM 1328 C ALA A 87 -4.328 2.644 -1.180 1.00 0.00 C ATOM 1329 O ALA A 87 -4.913 3.692 -0.909 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.548 1.423 0.165 1.00 0.00 C ATOM 0 H ALA A 87 -4.055 -0.479 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.489 1.976 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.106 2.377 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.402 0.700 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.067 1.059 -0.743 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.898 2.315 -2.389 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.098 3.204 -3.521 1.00 0.00 C ATOM 1338 C GLY A 88 -5.586 3.478 -3.748 1.00 0.00 C ATOM 1339 O GLY A 88 -6.017 4.630 -3.737 1.00 0.00 O ATOM 0 H GLY A 88 -3.412 1.446 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.574 4.144 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.666 2.760 -4.418 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.330 2.400 -3.947 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.761 2.510 -4.175 1.00 0.00 C ATOM 1345 C PHE A 89 -8.406 3.463 -3.166 1.00 0.00 C ATOM 1346 O PHE A 89 -9.365 4.160 -3.491 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.352 1.112 -3.989 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.127 0.596 -5.203 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.473 -0.067 -6.195 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.468 0.800 -5.292 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.191 -0.545 -7.322 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.187 0.322 -6.419 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.533 -0.341 -7.411 1.00 0.00 C ATOM 0 H PHE A 89 -5.969 1.446 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.949 2.901 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.545 0.415 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.016 1.122 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.408 -0.229 -6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -10.987 1.326 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.672 -1.071 -8.109 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.252 0.485 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.079 -0.705 -8.269 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.852 3.461 -1.962 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.361 4.316 -0.904 1.00 0.00 C ATOM 1365 C LEU A 90 -7.740 5.708 -1.036 1.00 0.00 C ATOM 1366 O LEU A 90 -8.451 6.712 -1.033 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.134 3.669 0.464 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.236 2.725 0.950 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.524 1.638 -0.087 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.888 2.135 2.318 1.00 0.00 C ATOM 0 H LEU A 90 -7.056 2.881 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.440 4.437 -0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.196 3.114 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.010 4.461 1.202 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.152 3.303 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.311 0.981 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.847 2.101 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.620 1.056 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.687 1.468 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.955 1.576 2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.773 2.941 3.043 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.420 5.724 -1.149 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.695 6.976 -1.281 1.00 0.00 C ATOM 1384 C ASP A 91 -6.293 7.787 -2.434 1.00 0.00 C ATOM 1385 O ASP A 91 -6.596 8.968 -2.275 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.219 6.728 -1.594 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.248 7.737 -0.977 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.352 8.949 -1.214 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.342 7.225 -0.214 1.00 0.00 O ATOM 0 H ASP A 91 -5.834 4.889 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.777 7.514 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.952 5.730 -1.246 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.087 6.734 -2.676 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.444 7.119 -3.568 1.00 0.00 N ATOM 1396 CA ALA A 92 -6.999 7.762 -4.747 1.00 0.00 C ATOM 1397 C ALA A 92 -8.447 8.169 -4.466 1.00 0.00 C ATOM 1398 O ALA A 92 -8.953 9.124 -5.054 1.00 0.00 O ATOM 1399 CB ALA A 92 -6.881 6.821 -5.946 1.00 0.00 C ATOM 0 H ALA A 92 -6.192 6.139 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.442 8.667 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.298 7.304 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.831 6.586 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.430 5.902 -5.742 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.073 7.424 -3.566 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.453 7.695 -3.200 1.00 0.00 C ATOM 1407 C GLU A 93 -10.516 8.820 -2.164 1.00 0.00 C ATOM 1408 O GLU A 93 -11.536 9.497 -2.039 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.141 6.431 -2.680 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.542 6.747 -2.152 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.571 5.759 -2.705 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.266 4.568 -2.861 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.725 6.268 -2.975 1.00 0.00 O ATOM 0 H GLU A 93 -8.650 6.633 -3.080 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.988 8.019 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.208 5.694 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.541 5.986 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.542 6.706 -1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.820 7.763 -2.433 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.414 8.983 -1.447 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.331 10.014 -0.426 1.00 0.00 C ATOM 1423 C LEU A 94 -8.849 11.319 -1.062 1.00 0.00 C ATOM 1424 O LEU A 94 -9.124 12.402 -0.549 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.464 9.542 0.742 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.114 8.541 1.700 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.066 7.617 2.323 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.947 9.261 2.762 1.00 0.00 C ATOM 0 H LEU A 94 -8.571 8.419 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.316 10.211 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.558 9.091 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.156 10.416 1.316 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.796 7.913 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.555 6.916 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.554 7.064 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.341 8.212 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.398 8.527 3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.305 9.929 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.732 9.841 2.277 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.139 11.172 -2.171 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.616 12.326 -2.883 1.00 0.00 C ATOM 1442 C GLY A 95 -8.597 12.799 -3.957 1.00 0.00 C ATOM 1443 O GLY A 95 -8.978 13.968 -3.983 1.00 0.00 O ATOM 0 H GLY A 95 -7.914 10.272 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.424 13.136 -2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.662 12.071 -3.344 1.00 0.00 H new