USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 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 -124:sc= 0.953 USER MOD Single : A 27 THR OG1 : rot 110:sc= 1.24 USER MOD Single : A 28 SER OG : rot -50:sc= -2.55! USER MOD Single : A 29 THR OG1 : rot 106:sc= 1.02 USER MOD Single : A 31 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 35 HIS : no HD1:sc= -3.42 X(o=-3.4,f=-3.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.016 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= 0.00497 USER MOD Single : A 62 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.025) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0.169 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 80 HIS : no HE2:sc= -9.6! C(o=-9.6!,f=-15!) USER MOD Single : A 82 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.23) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 -0.150 13.285 4.345 1.00 0.00 N ATOM 201 CA ARG A 14 -0.511 12.401 3.249 1.00 0.00 C ATOM 202 C ARG A 14 0.363 11.145 3.270 1.00 0.00 C ATOM 203 O ARG A 14 -0.118 10.046 2.999 1.00 0.00 O ATOM 204 CB ARG A 14 -0.351 13.103 1.899 1.00 0.00 C ATOM 205 CG ARG A 14 -1.397 12.611 0.897 1.00 0.00 C ATOM 206 CD ARG A 14 -0.730 11.954 -0.313 1.00 0.00 C ATOM 207 NE ARG A 14 -0.794 12.862 -1.480 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.160 12.636 -2.651 1.00 0.00 C ATOM 209 NH1 ARG A 14 0.591 11.527 -2.820 1.00 0.00 N ATOM 210 NH2 ARG A 14 -0.286 13.515 -3.627 1.00 0.00 N ATOM 0 HA ARG A 14 -1.557 12.122 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.448 14.181 2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.649 12.919 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.063 11.897 1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.012 13.448 0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.309 11.717 -0.082 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.227 11.013 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.352 13.712 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.683 10.853 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.067 11.364 -3.707 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.856 14.350 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.186 13.359 -4.518 1.00 0.00 H new ATOM 223 N ALA A 15 1.631 11.351 3.595 1.00 0.00 N ATOM 224 CA ALA A 15 2.576 10.249 3.655 1.00 0.00 C ATOM 225 C ALA A 15 2.112 9.242 4.709 1.00 0.00 C ATOM 226 O ALA A 15 1.482 8.238 4.379 1.00 0.00 O ATOM 227 CB ALA A 15 3.976 10.793 3.944 1.00 0.00 C ATOM 0 H ALA A 15 2.026 12.264 3.819 1.00 0.00 H new ATOM 0 HA ALA A 15 2.620 9.728 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.685 9.967 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.270 11.481 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.972 11.320 4.898 1.00 0.00 H new ATOM 233 N GLU A 16 2.442 9.544 5.956 1.00 0.00 N ATOM 234 CA GLU A 16 2.067 8.678 7.060 1.00 0.00 C ATOM 235 C GLU A 16 0.621 8.205 6.897 1.00 0.00 C ATOM 236 O GLU A 16 0.280 7.090 7.291 1.00 0.00 O ATOM 237 CB GLU A 16 2.263 9.385 8.403 1.00 0.00 C ATOM 238 CG GLU A 16 3.718 9.287 8.866 1.00 0.00 C ATOM 239 CD GLU A 16 4.650 10.035 7.909 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.119 9.453 6.920 1.00 0.00 O ATOM 241 OE2 GLU A 16 4.881 11.264 8.223 1.00 0.00 O ATOM 0 H GLU A 16 2.965 10.377 6.226 1.00 0.00 H new ATOM 0 HA GLU A 16 2.719 7.804 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.976 10.433 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.608 8.939 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.813 9.702 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.015 8.240 8.924 1.00 0.00 H new ATOM 249 N ARG A 17 -0.190 9.075 6.314 1.00 0.00 N ATOM 250 CA ARG A 17 -1.592 8.760 6.093 1.00 0.00 C ATOM 251 C ARG A 17 -1.724 7.564 5.148 1.00 0.00 C ATOM 252 O ARG A 17 -2.404 6.589 5.466 1.00 0.00 O ATOM 253 CB ARG A 17 -2.338 9.956 5.498 1.00 0.00 C ATOM 254 CG ARG A 17 -3.812 9.620 5.264 1.00 0.00 C ATOM 255 CD ARG A 17 -4.541 9.395 6.591 1.00 0.00 C ATOM 256 NE ARG A 17 -4.725 10.684 7.293 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.648 10.897 8.255 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.480 9.905 8.637 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.725 12.090 8.815 1.00 0.00 N ATOM 0 H ARG A 17 0.096 9.998 5.988 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.033 8.515 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.258 10.810 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.873 10.247 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.291 10.431 4.715 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.891 8.726 4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.510 8.929 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.970 8.709 7.217 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.116 11.461 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.414 8.987 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.175 10.074 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.093 12.834 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.417 12.268 9.543 1.00 0.00 H new ATOM 272 N THR A 18 -1.064 7.677 4.005 1.00 0.00 N ATOM 273 CA THR A 18 -1.099 6.617 3.012 1.00 0.00 C ATOM 274 C THR A 18 -0.505 5.329 3.585 1.00 0.00 C ATOM 275 O THR A 18 -1.097 4.258 3.459 1.00 0.00 O ATOM 276 CB THR A 18 -0.374 7.117 1.761 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.233 8.129 1.242 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.326 6.064 0.652 1.00 0.00 C ATOM 0 H THR A 18 -0.502 8.487 3.744 1.00 0.00 H new ATOM 0 HA THR A 18 -2.123 6.369 2.734 1.00 0.00 H new ATOM 0 HB THR A 18 0.641 7.413 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.463 7.918 0.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.199 6.470 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.199 5.179 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.342 5.792 0.365 1.00 0.00 H new ATOM 286 N ALA A 19 0.658 5.475 4.202 1.00 0.00 N ATOM 287 CA ALA A 19 1.339 4.337 4.795 1.00 0.00 C ATOM 288 C ALA A 19 0.526 3.825 5.986 1.00 0.00 C ATOM 289 O ALA A 19 0.589 2.644 6.324 1.00 0.00 O ATOM 290 CB ALA A 19 2.761 4.741 5.190 1.00 0.00 C ATOM 0 H ALA A 19 1.146 6.365 4.304 1.00 0.00 H new ATOM 0 HA ALA A 19 1.420 3.522 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.272 3.887 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.306 5.068 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.720 5.556 5.913 1.00 0.00 H new ATOM 296 N GLU A 20 -0.219 4.740 6.589 1.00 0.00 N ATOM 297 CA GLU A 20 -1.044 4.396 7.735 1.00 0.00 C ATOM 298 C GLU A 20 -2.203 3.495 7.304 1.00 0.00 C ATOM 299 O GLU A 20 -2.490 2.492 7.956 1.00 0.00 O ATOM 300 CB GLU A 20 -1.559 5.654 8.437 1.00 0.00 C ATOM 301 CG GLU A 20 -2.707 5.319 9.391 1.00 0.00 C ATOM 302 CD GLU A 20 -2.745 6.295 10.569 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.863 6.250 11.439 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.735 7.122 10.559 1.00 0.00 O ATOM 0 H GLU A 20 -0.269 5.719 6.306 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.429 3.847 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.746 6.124 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.898 6.376 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.654 5.356 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.591 4.301 9.762 1.00 0.00 H new ATOM 312 N LEU A 21 -2.837 3.885 6.208 1.00 0.00 N ATOM 313 CA LEU A 21 -3.959 3.125 5.682 1.00 0.00 C ATOM 314 C LEU A 21 -3.493 1.709 5.339 1.00 0.00 C ATOM 315 O LEU A 21 -4.236 0.746 5.520 1.00 0.00 O ATOM 316 CB LEU A 21 -4.602 3.863 4.507 1.00 0.00 C ATOM 317 CG LEU A 21 -5.933 4.559 4.799 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.777 6.081 4.755 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.029 4.068 3.852 1.00 0.00 C ATOM 0 H LEU A 21 -2.595 4.717 5.670 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.742 3.030 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.896 4.610 4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.758 3.150 3.697 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.241 4.295 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.737 6.551 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.048 6.394 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.435 6.383 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.964 4.579 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.742 4.281 2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.163 2.993 3.976 1.00 0.00 H new ATOM 331 N VAL A 22 -2.265 1.627 4.848 1.00 0.00 N ATOM 332 CA VAL A 22 -1.691 0.344 4.478 1.00 0.00 C ATOM 333 C VAL A 22 -1.587 -0.541 5.721 1.00 0.00 C ATOM 334 O VAL A 22 -2.231 -1.586 5.798 1.00 0.00 O ATOM 335 CB VAL A 22 -0.346 0.555 3.779 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.431 -0.759 3.677 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.538 1.188 2.399 1.00 0.00 C ATOM 0 H VAL A 22 -1.652 2.428 4.698 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.335 -0.172 3.766 1.00 0.00 H new ATOM 0 HB VAL A 22 0.242 1.245 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.383 -0.581 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.615 -1.152 4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.150 -1.482 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.433 1.327 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.154 0.534 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.031 2.154 2.507 1.00 0.00 H new ATOM 347 N ARG A 23 -0.770 -0.091 6.662 1.00 0.00 N ATOM 348 CA ARG A 23 -0.574 -0.830 7.898 1.00 0.00 C ATOM 349 C ARG A 23 -1.916 -1.073 8.591 1.00 0.00 C ATOM 350 O ARG A 23 -2.052 -2.009 9.377 1.00 0.00 O ATOM 351 CB ARG A 23 0.355 -0.073 8.850 1.00 0.00 C ATOM 352 CG ARG A 23 0.937 -1.012 9.909 1.00 0.00 C ATOM 353 CD ARG A 23 1.556 -0.220 11.062 1.00 0.00 C ATOM 354 NE ARG A 23 2.323 -1.127 11.945 1.00 0.00 N ATOM 355 CZ ARG A 23 1.764 -1.916 12.888 1.00 0.00 C ATOM 356 NH1 ARG A 23 0.428 -1.915 13.078 1.00 0.00 N ATOM 357 NH2 ARG A 23 2.545 -2.688 13.621 1.00 0.00 N ATOM 0 H ARG A 23 -0.236 0.776 6.594 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.115 -1.786 7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.164 0.389 8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.195 0.733 9.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.153 -1.665 10.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.693 -1.653 9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.211 0.558 10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.773 0.280 11.632 1.00 0.00 H new ATOM 0 HE ARG A 23 3.337 -1.158 11.835 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.168 -1.315 12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.014 -2.514 13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.554 -2.682 13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.140 -3.290 14.338 1.00 0.00 H new ATOM 370 N LEU A 24 -2.873 -0.214 8.273 1.00 0.00 N ATOM 371 CA LEU A 24 -4.200 -0.323 8.856 1.00 0.00 C ATOM 372 C LEU A 24 -4.995 -1.393 8.105 1.00 0.00 C ATOM 373 O LEU A 24 -5.345 -2.425 8.675 1.00 0.00 O ATOM 374 CB LEU A 24 -4.886 1.044 8.886 1.00 0.00 C ATOM 375 CG LEU A 24 -6.117 1.157 9.788 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.487 2.621 10.030 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.290 0.357 9.217 1.00 0.00 C ATOM 0 H LEU A 24 -2.756 0.560 7.619 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.134 -0.644 9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.156 1.788 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.180 1.303 7.869 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.871 0.722 10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.365 2.673 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.653 3.132 10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.707 3.103 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.152 0.454 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.545 0.740 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.010 -0.693 9.138 1.00 0.00 H new ATOM 389 N VAL A 25 -5.257 -1.110 6.837 1.00 0.00 N ATOM 390 CA VAL A 25 -6.004 -2.035 6.003 1.00 0.00 C ATOM 391 C VAL A 25 -5.510 -3.460 6.259 1.00 0.00 C ATOM 392 O VAL A 25 -6.289 -4.410 6.205 1.00 0.00 O ATOM 393 CB VAL A 25 -5.896 -1.620 4.534 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.732 -2.337 3.846 1.00 0.00 C ATOM 395 CG2 VAL A 25 -7.210 -1.874 3.794 1.00 0.00 C ATOM 0 H VAL A 25 -4.965 -0.253 6.367 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.063 -2.008 6.258 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.696 -0.549 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.677 -2.024 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.799 -2.083 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.889 -3.415 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.106 -1.570 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.454 -2.935 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.008 -1.298 4.262 1.00 0.00 H new ATOM 405 N ARG A 26 -4.218 -3.563 6.534 1.00 0.00 N ATOM 406 CA ARG A 26 -3.610 -4.856 6.799 1.00 0.00 C ATOM 407 C ARG A 26 -4.121 -5.421 8.126 1.00 0.00 C ATOM 408 O ARG A 26 -4.787 -6.455 8.150 1.00 0.00 O ATOM 409 CB ARG A 26 -2.085 -4.748 6.853 1.00 0.00 C ATOM 410 CG ARG A 26 -1.425 -5.999 6.271 1.00 0.00 C ATOM 411 CD ARG A 26 -0.875 -5.728 4.869 1.00 0.00 C ATOM 412 NE ARG A 26 -0.870 -6.978 4.076 1.00 0.00 N ATOM 413 CZ ARG A 26 -1.975 -7.541 3.543 1.00 0.00 C ATOM 414 NH1 ARG A 26 -3.186 -6.969 3.714 1.00 0.00 N ATOM 415 NH2 ARG A 26 -1.854 -8.660 2.853 1.00 0.00 N ATOM 0 H ARG A 26 -3.575 -2.772 6.579 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.887 -5.525 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.759 -3.869 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.763 -4.610 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.617 -6.326 6.925 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.150 -6.811 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.484 -4.974 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.136 -5.327 4.937 1.00 0.00 H new ATOM 0 HE ARG A 26 0.025 -7.443 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.271 -6.105 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.016 -7.401 3.308 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.936 -9.086 2.729 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.679 -9.098 2.444 1.00 0.00 H new ATOM 428 N THR A 27 -3.790 -4.716 9.199 1.00 0.00 N ATOM 429 CA THR A 27 -4.208 -5.134 10.526 1.00 0.00 C ATOM 430 C THR A 27 -5.716 -5.390 10.556 1.00 0.00 C ATOM 431 O THR A 27 -6.177 -6.328 11.204 1.00 0.00 O ATOM 432 CB THR A 27 -3.753 -4.066 11.523 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.376 -3.868 11.216 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.744 -4.576 12.965 1.00 0.00 C ATOM 0 H THR A 27 -3.238 -3.859 9.176 1.00 0.00 H new ATOM 0 HA THR A 27 -3.745 -6.080 10.806 1.00 0.00 H new ATOM 0 HB THR A 27 -4.409 -3.199 11.449 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.256 -2.986 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.414 -3.779 13.631 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.749 -4.890 13.246 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.063 -5.423 13.047 1.00 0.00 H new ATOM 442 N SER A 28 -6.442 -4.539 9.846 1.00 0.00 N ATOM 443 CA SER A 28 -7.888 -4.662 9.782 1.00 0.00 C ATOM 444 C SER A 28 -8.273 -5.998 9.145 1.00 0.00 C ATOM 445 O SER A 28 -9.033 -6.771 9.726 1.00 0.00 O ATOM 446 CB SER A 28 -8.505 -3.502 8.997 1.00 0.00 C ATOM 447 OG SER A 28 -9.890 -3.337 9.289 1.00 0.00 O ATOM 0 H SER A 28 -6.056 -3.762 9.310 1.00 0.00 H new ATOM 0 HA SER A 28 -8.279 -4.626 10.799 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.972 -2.581 9.233 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.378 -3.679 7.929 1.00 0.00 H new ATOM 0 HG SER A 28 -10.347 -4.200 9.205 1.00 0.00 H new ATOM 453 N THR A 29 -7.730 -6.230 7.958 1.00 0.00 N ATOM 454 CA THR A 29 -8.007 -7.460 7.236 1.00 0.00 C ATOM 455 C THR A 29 -7.571 -8.672 8.060 1.00 0.00 C ATOM 456 O THR A 29 -8.319 -9.640 8.191 1.00 0.00 O ATOM 457 CB THR A 29 -7.318 -7.372 5.872 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.743 -6.117 5.348 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.863 -8.396 4.875 1.00 0.00 C ATOM 0 H THR A 29 -7.100 -5.587 7.479 1.00 0.00 H new ATOM 0 HA THR A 29 -9.076 -7.589 7.069 1.00 0.00 H new ATOM 0 HB THR A 29 -6.246 -7.521 5.997 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.005 -5.474 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.341 -8.291 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.708 -9.402 5.265 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.929 -8.225 4.724 1.00 0.00 H new ATOM 467 N ALA A 30 -6.363 -8.580 8.595 1.00 0.00 N ATOM 468 CA ALA A 30 -5.818 -9.658 9.404 1.00 0.00 C ATOM 469 C ALA A 30 -6.690 -9.848 10.646 1.00 0.00 C ATOM 470 O ALA A 30 -6.792 -10.955 11.174 1.00 0.00 O ATOM 471 CB ALA A 30 -4.362 -9.347 9.755 1.00 0.00 C ATOM 0 H ALA A 30 -5.746 -7.776 8.484 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.826 -10.596 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.953 -10.155 10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.779 -9.251 8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.314 -8.413 10.315 1.00 0.00 H new ATOM 477 N THR A 31 -7.296 -8.752 11.078 1.00 0.00 N ATOM 478 CA THR A 31 -8.156 -8.784 12.249 1.00 0.00 C ATOM 479 C THR A 31 -9.471 -9.496 11.926 1.00 0.00 C ATOM 480 O THR A 31 -10.035 -10.183 12.776 1.00 0.00 O ATOM 481 CB THR A 31 -8.347 -7.346 12.736 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.108 -7.024 13.362 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.374 -7.241 13.865 1.00 0.00 C ATOM 0 H THR A 31 -7.209 -7.836 10.638 1.00 0.00 H new ATOM 0 HA THR A 31 -7.702 -9.358 13.057 1.00 0.00 H new ATOM 0 HB THR A 31 -8.661 -6.719 11.901 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.400 -6.986 12.686 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.471 -6.200 14.173 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.339 -7.607 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.045 -7.841 14.713 1.00 0.00 H new ATOM 491 N VAL A 32 -9.921 -9.307 10.694 1.00 0.00 N ATOM 492 CA VAL A 32 -11.160 -9.922 10.248 1.00 0.00 C ATOM 493 C VAL A 32 -11.011 -11.444 10.286 1.00 0.00 C ATOM 494 O VAL A 32 -12.000 -12.171 10.206 1.00 0.00 O ATOM 495 CB VAL A 32 -11.537 -9.394 8.862 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.834 -10.036 8.365 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.648 -7.868 8.869 1.00 0.00 C ATOM 0 H VAL A 32 -9.450 -8.737 9.991 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.979 -9.658 10.917 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.741 -9.669 8.170 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.079 -9.644 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.705 -11.117 8.304 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.643 -9.806 9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.917 -7.518 7.872 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.415 -7.562 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.691 -7.435 9.160 1.00 0.00 H new ATOM 507 N LEU A 33 -9.767 -11.882 10.410 1.00 0.00 N ATOM 508 CA LEU A 33 -9.476 -13.305 10.460 1.00 0.00 C ATOM 509 C LEU A 33 -9.239 -13.721 11.913 1.00 0.00 C ATOM 510 O LEU A 33 -8.666 -14.778 12.174 1.00 0.00 O ATOM 511 CB LEU A 33 -8.314 -13.648 9.525 1.00 0.00 C ATOM 512 CG LEU A 33 -8.684 -13.911 8.064 1.00 0.00 C ATOM 513 CD1 LEU A 33 -9.891 -14.846 7.964 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.912 -12.598 7.311 1.00 0.00 C ATOM 0 H LEU A 33 -8.949 -11.277 10.477 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.327 -13.881 10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.595 -12.829 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.808 -14.531 9.916 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.845 -14.416 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.133 -15.017 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.655 -15.797 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.746 -14.391 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.174 -12.813 6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.724 -12.044 7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.001 -12.000 7.338 1.00 0.00 H new ATOM 526 N GLY A 34 -9.691 -12.869 12.821 1.00 0.00 N ATOM 527 CA GLY A 34 -9.536 -13.135 14.241 1.00 0.00 C ATOM 528 C GLY A 34 -8.081 -13.465 14.581 1.00 0.00 C ATOM 529 O GLY A 34 -7.804 -14.475 15.227 1.00 0.00 O ATOM 0 H GLY A 34 -10.165 -11.993 12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.859 -12.267 14.815 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.179 -13.966 14.531 1.00 0.00 H new ATOM 533 N HIS A 35 -7.189 -12.595 14.130 1.00 0.00 N ATOM 534 CA HIS A 35 -5.770 -12.781 14.379 1.00 0.00 C ATOM 535 C HIS A 35 -5.054 -11.432 14.301 1.00 0.00 C ATOM 536 O HIS A 35 -5.092 -10.763 13.268 1.00 0.00 O ATOM 537 CB HIS A 35 -5.183 -13.820 13.421 1.00 0.00 C ATOM 538 CG HIS A 35 -5.678 -15.226 13.663 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.499 -15.888 14.865 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.347 -16.088 12.844 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.040 -17.093 14.763 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.564 -17.216 13.510 1.00 0.00 N ATOM 0 H HIS A 35 -7.422 -11.759 13.594 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.622 -13.174 15.385 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.423 -13.532 12.397 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.097 -13.808 13.509 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.649 -15.887 11.827 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.062 -17.846 15.537 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.044 -18.039 13.145 1.00 0.00 H new ATOM 550 N ASP A 36 -4.418 -11.070 15.405 1.00 0.00 N ATOM 551 CA ASP A 36 -3.694 -9.812 15.475 1.00 0.00 C ATOM 552 C ASP A 36 -2.192 -10.088 15.386 1.00 0.00 C ATOM 553 O ASP A 36 -1.451 -9.818 16.330 1.00 0.00 O ATOM 554 CB ASP A 36 -3.966 -9.093 16.798 1.00 0.00 C ATOM 555 CG ASP A 36 -4.354 -10.006 17.962 1.00 0.00 C ATOM 556 OD1 ASP A 36 -3.673 -11.003 18.247 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.419 -9.655 18.599 1.00 0.00 O ATOM 0 H ASP A 36 -4.389 -11.626 16.259 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.027 -9.184 14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.075 -8.531 17.078 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.765 -8.368 16.643 1.00 0.00 H new ATOM 563 N ASP A 37 -1.786 -10.622 14.243 1.00 0.00 N ATOM 564 CA ASP A 37 -0.386 -10.937 14.019 1.00 0.00 C ATOM 565 C ASP A 37 0.021 -10.466 12.621 1.00 0.00 C ATOM 566 O ASP A 37 -0.015 -11.241 11.667 1.00 0.00 O ATOM 567 CB ASP A 37 -0.140 -12.445 14.101 1.00 0.00 C ATOM 568 CG ASP A 37 -1.012 -13.188 15.115 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.744 -14.125 14.763 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.919 -12.763 16.329 1.00 0.00 O ATOM 0 H ASP A 37 -2.403 -10.844 13.462 1.00 0.00 H new ATOM 0 HA ASP A 37 0.200 -10.434 14.789 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.306 -12.879 13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.907 -12.614 14.352 1.00 0.00 H new ATOM 576 N PRO A 38 0.409 -9.165 12.543 1.00 0.00 N ATOM 577 CA PRO A 38 0.822 -8.583 11.278 1.00 0.00 C ATOM 578 C PRO A 38 2.222 -9.060 10.885 1.00 0.00 C ATOM 579 O PRO A 38 2.596 -9.002 9.715 1.00 0.00 O ATOM 580 CB PRO A 38 0.745 -7.080 11.493 1.00 0.00 C ATOM 581 CG PRO A 38 0.743 -6.874 12.999 1.00 0.00 C ATOM 582 CD PRO A 38 0.465 -8.218 13.652 1.00 0.00 C ATOM 0 HA PRO A 38 0.185 -8.887 10.447 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.594 -6.575 11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.157 -6.666 11.041 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.703 -6.479 13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.017 -6.146 13.284 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.250 -8.484 14.360 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.473 -8.202 14.207 1.00 0.00 H new ATOM 590 N LYS A 39 2.957 -9.521 11.886 1.00 0.00 N ATOM 591 CA LYS A 39 4.307 -10.008 11.660 1.00 0.00 C ATOM 592 C LYS A 39 4.266 -11.170 10.666 1.00 0.00 C ATOM 593 O LYS A 39 5.291 -11.537 10.092 1.00 0.00 O ATOM 594 CB LYS A 39 4.979 -10.359 12.989 1.00 0.00 C ATOM 595 CG LYS A 39 5.657 -9.132 13.602 1.00 0.00 C ATOM 596 CD LYS A 39 4.878 -8.626 14.818 1.00 0.00 C ATOM 597 CE LYS A 39 5.642 -8.903 16.114 1.00 0.00 C ATOM 598 NZ LYS A 39 5.275 -7.916 17.153 1.00 0.00 N ATOM 0 H LYS A 39 2.643 -9.568 12.855 1.00 0.00 H new ATOM 0 HA LYS A 39 4.924 -9.228 11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.237 -10.753 13.683 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.717 -11.146 12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.675 -9.384 13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.728 -8.341 12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.699 -7.555 14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.902 -9.110 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.419 -9.910 16.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.715 -8.861 15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.803 -8.119 18.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.510 -6.959 16.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.254 -7.976 17.344 1.00 0.00 H new ATOM 611 N ALA A 40 3.072 -11.716 10.492 1.00 0.00 N ATOM 612 CA ALA A 40 2.884 -12.829 9.576 1.00 0.00 C ATOM 613 C ALA A 40 2.390 -12.297 8.229 1.00 0.00 C ATOM 614 O ALA A 40 2.472 -12.991 7.217 1.00 0.00 O ATOM 615 CB ALA A 40 1.916 -13.840 10.194 1.00 0.00 C ATOM 0 H ALA A 40 2.225 -11.409 10.970 1.00 0.00 H new ATOM 0 HA ALA A 40 3.827 -13.346 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.775 -14.675 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.326 -14.209 11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.957 -13.358 10.381 1.00 0.00 H new ATOM 621 N VAL A 41 1.890 -11.071 8.260 1.00 0.00 N ATOM 622 CA VAL A 41 1.383 -10.439 7.054 1.00 0.00 C ATOM 623 C VAL A 41 2.558 -9.914 6.227 1.00 0.00 C ATOM 624 O VAL A 41 3.709 -10.258 6.489 1.00 0.00 O ATOM 625 CB VAL A 41 0.374 -9.348 7.419 1.00 0.00 C ATOM 626 CG1 VAL A 41 1.047 -7.975 7.473 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.805 -9.342 6.444 1.00 0.00 C ATOM 0 H VAL A 41 1.825 -10.498 9.101 1.00 0.00 H new ATOM 0 HA VAL A 41 0.849 -11.163 6.438 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.015 -9.571 8.413 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.308 -7.218 7.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.837 -7.986 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.477 -7.742 6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.507 -8.557 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.441 -9.156 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.309 -10.308 6.476 1.00 0.00 H new ATOM 637 N ARG A 42 2.227 -9.088 5.244 1.00 0.00 N ATOM 638 CA ARG A 42 3.240 -8.513 4.377 1.00 0.00 C ATOM 639 C ARG A 42 2.760 -7.173 3.816 1.00 0.00 C ATOM 640 O ARG A 42 3.123 -6.115 4.330 1.00 0.00 O ATOM 641 CB ARG A 42 3.572 -9.454 3.217 1.00 0.00 C ATOM 642 CG ARG A 42 4.613 -8.830 2.285 1.00 0.00 C ATOM 643 CD ARG A 42 5.428 -9.911 1.572 1.00 0.00 C ATOM 644 NE ARG A 42 6.419 -10.494 2.503 1.00 0.00 N ATOM 645 CZ ARG A 42 7.604 -9.921 2.805 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.955 -8.741 2.250 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.413 -10.531 3.650 1.00 0.00 N ATOM 0 H ARG A 42 1.271 -8.804 5.030 1.00 0.00 H new ATOM 0 HA ARG A 42 4.139 -8.360 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.949 -10.399 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.665 -9.679 2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.115 -8.199 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.280 -8.185 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.765 -10.691 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.936 -9.484 0.707 1.00 0.00 H new ATOM 0 HE ARG A 42 6.193 -11.385 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.323 -8.276 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.852 -8.314 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.140 -11.422 4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.312 -10.112 3.889 1.00 0.00 H new ATOM 660 N ALA A 43 1.952 -7.261 2.770 1.00 0.00 N ATOM 661 CA ALA A 43 1.418 -6.068 2.134 1.00 0.00 C ATOM 662 C ALA A 43 1.102 -6.375 0.669 1.00 0.00 C ATOM 663 O ALA A 43 0.292 -5.688 0.048 1.00 0.00 O ATOM 664 CB ALA A 43 2.416 -4.918 2.287 1.00 0.00 C ATOM 0 H ALA A 43 1.654 -8.140 2.347 1.00 0.00 H new ATOM 0 HA ALA A 43 0.489 -5.760 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.016 -4.023 1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.584 -4.721 3.346 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.360 -5.190 1.814 1.00 0.00 H new ATOM 670 N THR A 44 1.757 -7.407 0.159 1.00 0.00 N ATOM 671 CA THR A 44 1.556 -7.814 -1.222 1.00 0.00 C ATOM 672 C THR A 44 0.996 -9.236 -1.283 1.00 0.00 C ATOM 673 O THR A 44 1.033 -9.877 -2.332 1.00 0.00 O ATOM 674 CB THR A 44 2.885 -7.651 -1.961 1.00 0.00 C ATOM 675 OG1 THR A 44 3.862 -8.084 -1.019 1.00 0.00 O ATOM 676 CG2 THR A 44 3.238 -6.184 -2.216 1.00 0.00 C ATOM 0 H THR A 44 2.428 -7.974 0.677 1.00 0.00 H new ATOM 0 HA THR A 44 0.815 -7.186 -1.716 1.00 0.00 H new ATOM 0 HB THR A 44 2.839 -8.183 -2.911 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.755 -8.013 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.190 -6.125 -2.743 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.459 -5.722 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.317 -5.658 -1.265 1.00 0.00 H new ATOM 684 N THR A 45 0.492 -9.689 -0.144 1.00 0.00 N ATOM 685 CA THR A 45 -0.074 -11.024 -0.055 1.00 0.00 C ATOM 686 C THR A 45 -1.536 -11.015 -0.506 1.00 0.00 C ATOM 687 O THR A 45 -2.252 -10.041 -0.281 1.00 0.00 O ATOM 688 CB THR A 45 0.116 -11.524 1.379 1.00 0.00 C ATOM 689 OG1 THR A 45 1.115 -12.534 1.265 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.110 -12.271 1.906 1.00 0.00 C ATOM 0 H THR A 45 0.464 -9.155 0.725 1.00 0.00 H new ATOM 0 HA THR A 45 0.436 -11.715 -0.726 1.00 0.00 H new ATOM 0 HB THR A 45 0.334 -10.679 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.301 -12.911 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.922 -12.604 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.974 -11.606 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.309 -13.136 1.273 1.00 0.00 H new ATOM 698 N PRO A 46 -1.945 -12.140 -1.152 1.00 0.00 N ATOM 699 CA PRO A 46 -3.308 -12.270 -1.637 1.00 0.00 C ATOM 700 C PRO A 46 -4.277 -12.538 -0.483 1.00 0.00 C ATOM 701 O PRO A 46 -4.173 -13.559 0.195 1.00 0.00 O ATOM 702 CB PRO A 46 -3.260 -13.405 -2.647 1.00 0.00 C ATOM 703 CG PRO A 46 -1.981 -14.172 -2.352 1.00 0.00 C ATOM 704 CD PRO A 46 -1.124 -13.313 -1.436 1.00 0.00 C ATOM 0 HA PRO A 46 -3.678 -11.356 -2.102 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.133 -14.050 -2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.258 -13.020 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.209 -15.126 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.448 -14.395 -3.276 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.865 -13.846 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.187 -13.033 -1.918 1.00 0.00 H new ATOM 712 N PHE A 47 -5.198 -11.604 -0.297 1.00 0.00 N ATOM 713 CA PHE A 47 -6.184 -11.726 0.763 1.00 0.00 C ATOM 714 C PHE A 47 -7.022 -12.994 0.588 1.00 0.00 C ATOM 715 O PHE A 47 -7.594 -13.503 1.551 1.00 0.00 O ATOM 716 CB PHE A 47 -7.101 -10.505 0.663 1.00 0.00 C ATOM 717 CG PHE A 47 -8.012 -10.510 -0.566 1.00 0.00 C ATOM 718 CD1 PHE A 47 -7.563 -10.008 -1.747 1.00 0.00 C ATOM 719 CD2 PHE A 47 -9.271 -11.017 -0.477 1.00 0.00 C ATOM 720 CE1 PHE A 47 -8.408 -10.012 -2.888 1.00 0.00 C ATOM 721 CE2 PHE A 47 -10.117 -11.021 -1.618 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.667 -10.519 -2.800 1.00 0.00 C ATOM 0 H PHE A 47 -5.282 -10.759 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.686 -11.782 1.731 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.718 -10.453 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.488 -9.604 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.563 -9.606 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.627 -11.416 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.051 -9.612 -3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.117 -11.422 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.309 -10.523 -3.668 1.00 0.00 H new ATOM 732 N LYS A 48 -7.069 -13.469 -0.648 1.00 0.00 N ATOM 733 CA LYS A 48 -7.827 -14.668 -0.962 1.00 0.00 C ATOM 734 C LYS A 48 -7.325 -15.824 -0.095 1.00 0.00 C ATOM 735 O LYS A 48 -8.110 -16.670 0.332 1.00 0.00 O ATOM 736 CB LYS A 48 -7.776 -14.957 -2.463 1.00 0.00 C ATOM 737 CG LYS A 48 -8.597 -16.200 -2.810 1.00 0.00 C ATOM 738 CD LYS A 48 -8.575 -16.469 -4.316 1.00 0.00 C ATOM 739 CE LYS A 48 -9.764 -15.800 -5.010 1.00 0.00 C ATOM 740 NZ LYS A 48 -10.934 -16.706 -5.021 1.00 0.00 N ATOM 0 H LYS A 48 -6.594 -13.045 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.881 -14.525 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.158 -14.099 -3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.741 -15.102 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.199 -17.063 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.626 -16.066 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.644 -16.096 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.601 -17.543 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.019 -14.873 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.493 -15.533 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.732 -16.237 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.692 -17.579 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.201 -16.940 -4.043 1.00 0.00 H new ATOM 753 N GLU A 49 -6.021 -15.824 0.139 1.00 0.00 N ATOM 754 CA GLU A 49 -5.406 -16.863 0.947 1.00 0.00 C ATOM 755 C GLU A 49 -5.688 -16.619 2.431 1.00 0.00 C ATOM 756 O GLU A 49 -5.533 -17.520 3.253 1.00 0.00 O ATOM 757 CB GLU A 49 -3.901 -16.944 0.682 1.00 0.00 C ATOM 758 CG GLU A 49 -3.619 -17.538 -0.700 1.00 0.00 C ATOM 759 CD GLU A 49 -3.701 -19.066 -0.667 1.00 0.00 C ATOM 760 OE1 GLU A 49 -4.688 -19.623 -0.162 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.694 -19.677 -1.192 1.00 0.00 O ATOM 0 H GLU A 49 -5.373 -15.121 -0.217 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.844 -17.821 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.462 -15.949 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.425 -17.556 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.337 -17.147 -1.421 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.629 -17.230 -1.037 1.00 0.00 H new ATOM 769 N LEU A 50 -6.099 -15.394 2.729 1.00 0.00 N ATOM 770 CA LEU A 50 -6.405 -15.020 4.099 1.00 0.00 C ATOM 771 C LEU A 50 -7.796 -15.540 4.467 1.00 0.00 C ATOM 772 O LEU A 50 -8.136 -15.633 5.645 1.00 0.00 O ATOM 773 CB LEU A 50 -6.242 -13.511 4.292 1.00 0.00 C ATOM 774 CG LEU A 50 -4.898 -13.048 4.858 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.106 -12.258 3.814 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.092 -12.255 6.152 1.00 0.00 C ATOM 0 H LEU A 50 -6.227 -14.649 2.045 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.698 -15.484 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.396 -13.023 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.033 -13.162 4.956 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.310 -13.931 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.155 -11.941 4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.920 -12.889 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.678 -11.381 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.121 -11.938 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.708 -11.378 5.952 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.585 -12.884 6.893 1.00 0.00 H new ATOM 788 N GLY A 51 -8.562 -15.866 3.436 1.00 0.00 N ATOM 789 CA GLY A 51 -9.909 -16.374 3.637 1.00 0.00 C ATOM 790 C GLY A 51 -10.904 -15.229 3.833 1.00 0.00 C ATOM 791 O GLY A 51 -11.204 -14.850 4.964 1.00 0.00 O ATOM 0 H GLY A 51 -8.276 -15.788 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.206 -16.976 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.928 -17.030 4.507 1.00 0.00 H new ATOM 795 N PHE A 52 -11.388 -14.710 2.714 1.00 0.00 N ATOM 796 CA PHE A 52 -12.343 -13.615 2.749 1.00 0.00 C ATOM 797 C PHE A 52 -13.538 -13.901 1.838 1.00 0.00 C ATOM 798 O PHE A 52 -13.372 -14.412 0.731 1.00 0.00 O ATOM 799 CB PHE A 52 -11.615 -12.370 2.239 1.00 0.00 C ATOM 800 CG PHE A 52 -11.373 -11.307 3.313 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.314 -11.424 4.159 1.00 0.00 C ATOM 802 CD2 PHE A 52 -12.216 -10.246 3.422 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.089 -10.438 5.156 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.991 -9.260 4.419 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.933 -9.377 5.264 1.00 0.00 C ATOM 0 H PHE A 52 -11.137 -15.027 1.778 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.718 -13.480 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.656 -12.670 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.196 -11.928 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.644 -12.267 4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.057 -10.153 2.750 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.248 -10.531 5.828 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.661 -8.417 4.506 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.762 -8.627 6.022 1.00 0.00 H new ATOM 815 N ASP A 53 -14.717 -13.560 2.338 1.00 0.00 N ATOM 816 CA ASP A 53 -15.940 -13.774 1.583 1.00 0.00 C ATOM 817 C ASP A 53 -16.822 -12.528 1.684 1.00 0.00 C ATOM 818 O ASP A 53 -16.417 -11.523 2.266 1.00 0.00 O ATOM 819 CB ASP A 53 -16.731 -14.960 2.140 1.00 0.00 C ATOM 820 CG ASP A 53 -16.188 -16.337 1.755 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.943 -16.620 0.573 1.00 0.00 O ATOM 822 OD2 ASP A 53 -16.015 -17.150 2.742 1.00 0.00 O ATOM 0 H ASP A 53 -14.851 -13.137 3.256 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.666 -13.978 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.752 -14.885 3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.762 -14.883 1.796 1.00 0.00 H new ATOM 828 N SER A 54 -18.010 -12.635 1.109 1.00 0.00 N ATOM 829 CA SER A 54 -18.953 -11.529 1.128 1.00 0.00 C ATOM 830 C SER A 54 -19.239 -11.109 2.571 1.00 0.00 C ATOM 831 O SER A 54 -19.741 -10.013 2.815 1.00 0.00 O ATOM 832 CB SER A 54 -20.254 -11.902 0.415 1.00 0.00 C ATOM 833 OG SER A 54 -20.015 -12.611 -0.797 1.00 0.00 O ATOM 0 H SER A 54 -18.342 -13.470 0.627 1.00 0.00 H new ATOM 0 HA SER A 54 -18.506 -10.690 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.868 -12.513 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.821 -10.997 0.199 1.00 0.00 H new ATOM 0 HG SER A 54 -20.871 -12.832 -1.221 1.00 0.00 H new ATOM 839 N LEU A 55 -18.907 -12.004 3.490 1.00 0.00 N ATOM 840 CA LEU A 55 -19.123 -11.740 4.903 1.00 0.00 C ATOM 841 C LEU A 55 -17.871 -11.088 5.492 1.00 0.00 C ATOM 842 O LEU A 55 -17.951 -10.028 6.111 1.00 0.00 O ATOM 843 CB LEU A 55 -19.550 -13.019 5.627 1.00 0.00 C ATOM 844 CG LEU A 55 -21.045 -13.341 5.595 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.290 -14.751 5.056 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.680 -13.135 6.971 1.00 0.00 C ATOM 0 H LEU A 55 -18.490 -12.912 3.284 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.943 -11.035 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.009 -13.858 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.237 -12.945 6.668 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.530 -12.645 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.361 -14.955 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.894 -14.827 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.790 -15.477 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.743 -13.371 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.197 -13.790 7.696 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.553 -12.097 7.279 1.00 0.00 H new ATOM 858 N ALA A 56 -16.742 -11.749 5.279 1.00 0.00 N ATOM 859 CA ALA A 56 -15.475 -11.246 5.782 1.00 0.00 C ATOM 860 C ALA A 56 -15.129 -9.940 5.065 1.00 0.00 C ATOM 861 O ALA A 56 -14.645 -8.995 5.687 1.00 0.00 O ATOM 862 CB ALA A 56 -14.394 -12.314 5.601 1.00 0.00 C ATOM 0 H ALA A 56 -16.679 -12.628 4.765 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.544 -11.029 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.443 -11.937 5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.673 -13.211 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.294 -12.555 4.543 1.00 0.00 H new ATOM 868 N ALA A 57 -15.390 -9.927 3.766 1.00 0.00 N ATOM 869 CA ALA A 57 -15.112 -8.752 2.958 1.00 0.00 C ATOM 870 C ALA A 57 -15.998 -7.596 3.426 1.00 0.00 C ATOM 871 O ALA A 57 -15.566 -6.444 3.437 1.00 0.00 O ATOM 872 CB ALA A 57 -15.323 -9.087 1.480 1.00 0.00 C ATOM 0 H ALA A 57 -15.791 -10.712 3.253 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.074 -8.441 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.114 -8.205 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.650 -9.894 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.355 -9.400 1.322 1.00 0.00 H new ATOM 878 N VAL A 58 -17.220 -7.943 3.801 1.00 0.00 N ATOM 879 CA VAL A 58 -18.170 -6.948 4.269 1.00 0.00 C ATOM 880 C VAL A 58 -17.757 -6.470 5.663 1.00 0.00 C ATOM 881 O VAL A 58 -17.602 -5.271 5.891 1.00 0.00 O ATOM 882 CB VAL A 58 -19.589 -7.520 4.230 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.476 -6.859 5.287 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.199 -7.375 2.834 1.00 0.00 C ATOM 0 H VAL A 58 -17.574 -8.899 3.790 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.166 -6.078 3.612 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.529 -8.583 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.479 -7.284 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.055 -7.035 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.527 -5.786 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.207 -7.789 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.239 -6.320 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.585 -7.912 2.111 1.00 0.00 H new ATOM 894 N ARG A 59 -17.590 -7.433 6.558 1.00 0.00 N ATOM 895 CA ARG A 59 -17.197 -7.125 7.923 1.00 0.00 C ATOM 896 C ARG A 59 -15.915 -6.291 7.931 1.00 0.00 C ATOM 897 O ARG A 59 -15.639 -5.580 8.897 1.00 0.00 O ATOM 898 CB ARG A 59 -16.971 -8.404 8.732 1.00 0.00 C ATOM 899 CG ARG A 59 -17.538 -8.265 10.146 1.00 0.00 C ATOM 900 CD ARG A 59 -16.419 -8.053 11.168 1.00 0.00 C ATOM 901 NE ARG A 59 -16.876 -7.137 12.236 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.814 -7.453 13.154 1.00 0.00 C ATOM 903 NH1 ARG A 59 -18.403 -8.667 13.141 1.00 0.00 N ATOM 904 NH2 ARG A 59 -18.146 -6.556 14.065 1.00 0.00 N ATOM 0 H ARG A 59 -17.720 -8.426 6.365 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.006 -6.557 8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.445 -9.246 8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.904 -8.622 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.232 -7.425 10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.106 -9.159 10.403 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.123 -9.009 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.539 -7.640 10.675 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.456 -6.209 12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.140 -9.354 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.111 -8.898 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.696 -5.641 14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.853 -6.778 14.766 1.00 0.00 H new ATOM 917 N LEU A 60 -15.165 -6.405 6.845 1.00 0.00 N ATOM 918 CA LEU A 60 -13.919 -5.670 6.715 1.00 0.00 C ATOM 919 C LEU A 60 -14.221 -4.231 6.292 1.00 0.00 C ATOM 920 O LEU A 60 -13.750 -3.284 6.919 1.00 0.00 O ATOM 921 CB LEU A 60 -12.962 -6.400 5.770 1.00 0.00 C ATOM 922 CG LEU A 60 -11.649 -5.680 5.456 1.00 0.00 C ATOM 923 CD1 LEU A 60 -11.809 -4.750 4.251 1.00 0.00 C ATOM 924 CD2 LEU A 60 -11.123 -4.938 6.686 1.00 0.00 C ATOM 0 H LEU A 60 -15.397 -6.996 6.047 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.406 -5.619 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.726 -7.372 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.483 -6.588 4.831 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.904 -6.429 5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.862 -4.250 4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.106 -5.332 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.574 -4.004 4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.189 -4.435 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.858 -4.200 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.947 -5.650 7.493 1.00 0.00 H new ATOM 936 N ARG A 61 -15.006 -4.113 5.231 1.00 0.00 N ATOM 937 CA ARG A 61 -15.377 -2.806 4.717 1.00 0.00 C ATOM 938 C ARG A 61 -16.012 -1.961 5.823 1.00 0.00 C ATOM 939 O ARG A 61 -15.929 -0.734 5.797 1.00 0.00 O ATOM 940 CB ARG A 61 -16.362 -2.931 3.552 1.00 0.00 C ATOM 941 CG ARG A 61 -16.677 -1.560 2.951 1.00 0.00 C ATOM 942 CD ARG A 61 -18.177 -1.263 3.019 1.00 0.00 C ATOM 943 NE ARG A 61 -18.664 -0.813 1.696 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.943 -0.932 1.280 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.875 -1.489 2.082 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.268 -0.495 0.078 1.00 0.00 N ATOM 0 H ARG A 61 -15.395 -4.901 4.714 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.469 -2.321 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.942 -3.581 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.283 -3.400 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.125 -0.788 3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.343 -1.528 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.719 -2.156 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.370 -0.495 3.768 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.992 -0.386 1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.615 -1.824 3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.839 -1.575 1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.557 -0.075 -0.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.230 -0.577 -0.252 1.00 0.00 H new ATOM 959 N ASN A 62 -16.632 -2.651 6.769 1.00 0.00 N ATOM 960 CA ASN A 62 -17.280 -1.979 7.883 1.00 0.00 C ATOM 961 C ASN A 62 -16.215 -1.464 8.852 1.00 0.00 C ATOM 962 O ASN A 62 -16.462 -0.529 9.612 1.00 0.00 O ATOM 963 CB ASN A 62 -18.192 -2.939 8.649 1.00 0.00 C ATOM 964 CG ASN A 62 -19.634 -2.843 8.148 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.498 -2.249 8.772 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.846 -3.460 6.989 1.00 0.00 N ATOM 0 H ASN A 62 -16.699 -3.669 6.787 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.875 -1.158 7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.830 -3.961 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.157 -2.708 9.714 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.776 -3.454 6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.078 -3.939 6.518 1.00 0.00 H new ATOM 973 N LEU A 63 -15.051 -2.095 8.793 1.00 0.00 N ATOM 974 CA LEU A 63 -13.947 -1.712 9.656 1.00 0.00 C ATOM 975 C LEU A 63 -13.114 -0.632 8.962 1.00 0.00 C ATOM 976 O LEU A 63 -12.749 0.367 9.580 1.00 0.00 O ATOM 977 CB LEU A 63 -13.137 -2.943 10.069 1.00 0.00 C ATOM 978 CG LEU A 63 -12.555 -2.919 11.483 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.194 -4.330 11.951 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.363 -1.964 11.570 1.00 0.00 C ATOM 0 H LEU A 63 -14.849 -2.869 8.160 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.321 -1.280 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.775 -3.822 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.317 -3.068 9.362 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.320 -2.541 12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.782 -4.285 12.959 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.088 -4.953 11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.454 -4.759 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.968 -1.966 12.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.586 -2.288 10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.684 -0.956 11.308 1.00 0.00 H new ATOM 992 N LEU A 64 -12.839 -0.870 7.688 1.00 0.00 N ATOM 993 CA LEU A 64 -12.055 0.070 6.904 1.00 0.00 C ATOM 994 C LEU A 64 -12.650 1.472 7.053 1.00 0.00 C ATOM 995 O LEU A 64 -11.957 2.468 6.854 1.00 0.00 O ATOM 996 CB LEU A 64 -11.949 -0.402 5.453 1.00 0.00 C ATOM 997 CG LEU A 64 -11.140 -1.679 5.220 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.479 -1.666 3.840 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.121 -1.895 6.341 1.00 0.00 C ATOM 0 H LEU A 64 -13.145 -1.699 7.179 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.031 0.117 7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.957 -0.559 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.504 0.399 4.863 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.826 -2.526 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.910 -2.585 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.247 -1.594 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.809 -0.810 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.559 -2.810 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.435 -1.049 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.642 -1.981 7.295 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.928 1.504 7.402 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.624 2.767 7.581 1.00 0.00 C ATOM 1013 C ASN A 65 -13.884 3.609 8.621 1.00 0.00 C ATOM 1014 O ASN A 65 -14.061 4.825 8.681 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.052 2.543 8.082 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.047 3.408 7.306 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.767 4.221 7.861 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.048 3.187 5.994 1.00 0.00 N ATOM 0 H ASN A 65 -14.500 0.675 7.566 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.656 3.274 6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.318 1.491 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.110 2.780 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.678 3.714 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.419 2.491 5.594 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.070 2.930 9.416 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.302 3.601 10.451 1.00 0.00 C ATOM 1027 C ALA A 66 -10.972 4.078 9.865 1.00 0.00 C ATOM 1028 O ALA A 66 -10.343 4.988 10.404 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.111 2.655 11.639 1.00 0.00 C ATOM 0 H ALA A 66 -12.926 1.922 9.364 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.835 4.479 10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.535 3.158 12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.085 2.369 12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.577 1.763 11.312 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.582 3.442 8.771 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.338 3.790 8.106 1.00 0.00 C ATOM 1037 C ALA A 67 -9.596 4.924 7.111 1.00 0.00 C ATOM 1038 O ALA A 67 -8.657 5.543 6.613 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.753 2.547 7.433 1.00 0.00 C ATOM 0 H ALA A 67 -11.106 2.687 8.328 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.604 4.146 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.820 2.808 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.560 1.782 8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.462 2.163 6.699 1.00 0.00 H new ATOM 1045 N THR A 68 -10.873 5.162 6.852 1.00 0.00 N ATOM 1046 CA THR A 68 -11.266 6.210 5.926 1.00 0.00 C ATOM 1047 C THR A 68 -12.484 6.966 6.462 1.00 0.00 C ATOM 1048 O THR A 68 -12.368 8.114 6.889 1.00 0.00 O ATOM 1049 CB THR A 68 -11.504 5.568 4.558 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.360 4.463 4.837 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.239 4.925 3.986 1.00 0.00 C ATOM 0 H THR A 68 -11.649 4.647 7.267 1.00 0.00 H new ATOM 0 HA THR A 68 -10.480 6.957 5.818 1.00 0.00 H new ATOM 0 HB THR A 68 -11.875 6.321 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.129 4.483 4.229 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.462 4.484 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.465 5.684 3.871 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.887 4.148 4.665 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.623 6.291 6.423 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.861 6.885 6.899 1.00 0.00 C ATOM 1061 C GLY A 69 -15.715 7.384 5.732 1.00 0.00 C ATOM 1062 O GLY A 69 -16.637 8.175 5.926 1.00 0.00 O ATOM 0 H GLY A 69 -13.715 5.339 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.422 6.150 7.477 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.636 7.714 7.570 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.377 6.902 4.545 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.101 7.290 3.346 1.00 0.00 C ATOM 1068 C LEU A 70 -16.817 6.067 2.770 1.00 0.00 C ATOM 1069 O LEU A 70 -16.875 5.018 3.411 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.162 7.977 2.352 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.951 7.161 1.899 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.353 6.115 0.858 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.833 8.074 1.392 1.00 0.00 C ATOM 0 H LEU A 70 -14.612 6.246 4.388 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.868 8.026 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.739 8.254 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.803 8.903 2.802 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.560 6.622 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.473 5.549 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.089 5.437 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.783 6.613 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.984 7.468 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.196 8.659 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.522 8.746 2.191 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.345 6.242 1.568 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.055 5.165 0.898 1.00 0.00 C ATOM 1087 C ARG A 71 -17.064 4.222 0.211 1.00 0.00 C ATOM 1088 O ARG A 71 -16.544 4.535 -0.858 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.032 5.714 -0.144 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.352 6.128 0.508 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.469 5.141 0.162 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.441 5.065 1.275 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.259 4.014 1.495 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.229 2.939 0.678 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.090 4.053 2.520 1.00 0.00 N ATOM 0 H ARG A 71 -17.296 7.113 1.040 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.618 4.618 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -18.587 6.571 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.220 4.957 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.228 6.177 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.629 7.128 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.974 5.456 -0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.047 4.155 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.496 5.856 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.585 2.917 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.851 2.149 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.107 4.869 3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.715 3.267 2.700 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.834 3.087 0.855 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.915 2.097 0.319 1.00 0.00 C ATOM 1110 C LEU A 72 -16.621 1.289 -0.771 1.00 0.00 C ATOM 1111 O LEU A 72 -17.827 1.057 -0.695 1.00 0.00 O ATOM 1112 CB LEU A 72 -15.339 1.237 1.446 1.00 0.00 C ATOM 1113 CG LEU A 72 -14.430 1.958 2.443 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.839 0.976 3.456 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -13.344 2.756 1.718 1.00 0.00 C ATOM 0 H LEU A 72 -17.268 2.831 1.742 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.060 2.585 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -16.168 0.792 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.777 0.417 0.999 1.00 0.00 H new ATOM 0 HG LEU A 72 -15.035 2.672 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.197 1.515 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.646 0.491 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.253 0.221 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.712 3.259 2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.736 2.080 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.810 3.499 1.070 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.820 0.873 -1.788 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.355 0.096 -2.893 1.00 0.00 C ATOM 1129 C PRO A 73 -16.625 -1.349 -2.468 1.00 0.00 C ATOM 1130 O PRO A 73 -15.986 -1.859 -1.549 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.312 0.206 -3.993 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.029 0.648 -3.309 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.388 1.129 -1.912 1.00 0.00 C ATOM 0 HA PRO A 73 -17.320 0.467 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.176 -0.750 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.619 0.927 -4.751 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.319 -0.178 -3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.549 1.446 -3.876 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.822 0.592 -1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.163 2.188 -1.788 1.00 0.00 H new ATOM 1141 N SER A 74 -17.573 -1.968 -3.157 1.00 0.00 N ATOM 1142 CA SER A 74 -17.935 -3.343 -2.862 1.00 0.00 C ATOM 1143 C SER A 74 -16.894 -4.297 -3.453 1.00 0.00 C ATOM 1144 O SER A 74 -16.780 -5.442 -3.019 1.00 0.00 O ATOM 1145 CB SER A 74 -19.327 -3.675 -3.404 1.00 0.00 C ATOM 1146 OG SER A 74 -19.453 -3.349 -4.786 1.00 0.00 O ATOM 0 H SER A 74 -18.101 -1.542 -3.919 1.00 0.00 H new ATOM 0 HA SER A 74 -17.958 -3.465 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.528 -4.737 -3.262 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.078 -3.130 -2.833 1.00 0.00 H new ATOM 0 HG SER A 74 -20.355 -3.577 -5.095 1.00 0.00 H new ATOM 1152 N THR A 75 -16.163 -3.789 -4.434 1.00 0.00 N ATOM 1153 CA THR A 75 -15.135 -4.581 -5.089 1.00 0.00 C ATOM 1154 C THR A 75 -13.787 -4.385 -4.393 1.00 0.00 C ATOM 1155 O THR A 75 -12.798 -5.019 -4.758 1.00 0.00 O ATOM 1156 CB THR A 75 -15.117 -4.199 -6.570 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.928 -2.786 -6.562 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.478 -4.389 -7.241 1.00 0.00 C ATOM 0 H THR A 75 -16.262 -2.839 -4.791 1.00 0.00 H new ATOM 0 HA THR A 75 -15.350 -5.647 -5.017 1.00 0.00 H new ATOM 0 HB THR A 75 -14.370 -4.799 -7.090 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.902 -2.454 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.409 -4.103 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.777 -5.435 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.220 -3.764 -6.743 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.790 -3.504 -3.404 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.579 -3.216 -2.654 1.00 0.00 C ATOM 1168 C LEU A 76 -11.877 -4.530 -2.304 1.00 0.00 C ATOM 1169 O LEU A 76 -10.674 -4.671 -2.517 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.896 -2.345 -1.437 1.00 0.00 C ATOM 1171 CG LEU A 76 -13.051 -3.083 -0.106 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.693 -3.545 0.427 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.804 -2.225 0.913 1.00 0.00 C ATOM 0 H LEU A 76 -14.612 -2.980 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.885 -2.634 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.104 -1.604 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.818 -1.799 -1.636 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.650 -3.977 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.832 -4.067 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.229 -4.219 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.049 -2.679 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.900 -2.773 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.253 -1.301 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.796 -1.989 0.527 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.659 -5.458 -1.772 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.127 -6.755 -1.390 1.00 0.00 C ATOM 1187 C VAL A 77 -12.212 -7.708 -2.585 1.00 0.00 C ATOM 1188 O VAL A 77 -12.478 -8.897 -2.417 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.863 -7.279 -0.155 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.488 -8.735 0.130 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.589 -6.394 1.063 1.00 0.00 C ATOM 0 H VAL A 77 -13.657 -5.337 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.076 -6.671 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.933 -7.243 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.025 -9.083 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.757 -9.354 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.415 -8.806 0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.124 -6.788 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.519 -6.384 1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.929 -5.379 0.859 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.980 -7.149 -3.763 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.026 -7.934 -4.985 1.00 0.00 C ATOM 1203 C PHE A 78 -11.039 -7.394 -6.022 1.00 0.00 C ATOM 1204 O PHE A 78 -10.348 -8.165 -6.687 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.447 -7.814 -5.541 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.919 -9.047 -6.314 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.587 -9.196 -7.624 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.671 -9.993 -5.691 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.025 -10.341 -8.342 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.110 -11.137 -6.408 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.778 -11.287 -7.719 1.00 0.00 C ATOM 0 H PHE A 78 -11.760 -6.162 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.758 -8.969 -4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.135 -7.630 -4.716 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.497 -6.945 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.990 -8.444 -8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -14.934 -9.874 -4.650 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.760 -10.460 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -15.707 -11.888 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.112 -12.157 -8.265 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.004 -6.074 -6.127 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.112 -5.422 -7.071 1.00 0.00 C ATOM 1223 C ASP A 79 -8.742 -5.226 -6.420 1.00 0.00 C ATOM 1224 O ASP A 79 -7.774 -4.879 -7.095 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.646 -4.045 -7.472 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.754 -3.807 -8.979 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.960 -4.747 -9.761 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -10.616 -2.579 -9.349 1.00 0.00 O ATOM 0 H ASP A 79 -11.579 -5.438 -5.574 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.039 -6.053 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.632 -3.911 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.996 -3.281 -7.044 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.703 -5.456 -5.116 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.467 -5.310 -4.366 1.00 0.00 C ATOM 1236 C HIS A 80 -6.878 -6.691 -4.073 1.00 0.00 C ATOM 1237 O HIS A 80 -7.390 -7.421 -3.225 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.694 -4.481 -3.101 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.690 -5.291 -1.827 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.834 -5.532 -1.087 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.669 -5.914 -1.170 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.506 -6.266 -0.034 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.163 -6.501 -0.087 1.00 0.00 N ATOM 0 H HIS A 80 -9.508 -5.743 -4.559 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.738 -4.762 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.919 -3.717 -3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.648 -3.961 -3.186 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.772 -5.201 -1.314 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.634 -5.927 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.182 -6.617 0.731 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.781 -7.016 -4.808 1.00 0.00 N ATOM 1252 CA PRO A 81 -5.117 -8.297 -4.635 1.00 0.00 C ATOM 1253 C PRO A 81 -4.300 -8.320 -3.342 1.00 0.00 C ATOM 1254 O PRO A 81 -4.045 -9.386 -2.783 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.263 -8.469 -5.880 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.120 -7.080 -6.482 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.147 -6.177 -5.820 1.00 0.00 C ATOM 0 HA PRO A 81 -5.819 -9.124 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.289 -8.889 -5.630 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.734 -9.154 -6.585 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.113 -6.696 -6.320 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.279 -7.113 -7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.675 -5.303 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.875 -5.810 -6.543 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.910 -7.132 -2.904 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.127 -7.002 -1.687 1.00 0.00 C ATOM 1267 C ASN A 82 -3.284 -5.585 -1.133 1.00 0.00 C ATOM 1268 O ASN A 82 -3.704 -4.677 -1.849 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.641 -7.240 -1.961 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.363 -7.301 -3.464 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.281 -6.294 -4.148 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.223 -8.535 -3.940 1.00 0.00 N ATOM 0 H ASN A 82 -4.122 -6.250 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.486 -7.744 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.052 -6.441 -1.511 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.326 -8.172 -1.491 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.035 -8.681 -4.932 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.303 -9.336 -3.313 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.938 -5.439 0.138 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.036 -4.147 0.796 1.00 0.00 C ATOM 1281 C ALA A 83 -2.317 -3.093 -0.049 1.00 0.00 C ATOM 1282 O ALA A 83 -2.902 -2.070 -0.401 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.462 -4.251 2.211 1.00 0.00 C ATOM 0 H ALA A 83 -2.590 -6.194 0.729 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.078 -3.841 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.535 -3.282 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.025 -4.992 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.416 -4.553 2.158 1.00 0.00 H new ATOM 1289 N SER A 84 -1.058 -3.380 -0.349 1.00 0.00 N ATOM 1290 CA SER A 84 -0.254 -2.469 -1.146 1.00 0.00 C ATOM 1291 C SER A 84 -1.094 -1.888 -2.285 1.00 0.00 C ATOM 1292 O SER A 84 -0.904 -0.738 -2.676 1.00 0.00 O ATOM 1293 CB SER A 84 0.984 -3.174 -1.705 1.00 0.00 C ATOM 1294 OG SER A 84 2.121 -2.315 -1.730 1.00 0.00 O ATOM 0 H SER A 84 -0.576 -4.229 -0.055 1.00 0.00 H new ATOM 0 HA SER A 84 0.083 -1.657 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.206 -4.052 -1.099 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.775 -3.528 -2.714 1.00 0.00 H new ATOM 0 HG SER A 84 2.891 -2.802 -2.091 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.004 -2.711 -2.785 1.00 0.00 N ATOM 1301 CA ALA A 85 -2.873 -2.293 -3.872 1.00 0.00 C ATOM 1302 C ALA A 85 -4.110 -1.603 -3.293 1.00 0.00 C ATOM 1303 O ALA A 85 -4.504 -0.535 -3.758 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.232 -3.505 -4.734 1.00 0.00 C ATOM 0 H ALA A 85 -2.158 -3.665 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.365 -1.575 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.884 -3.191 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.322 -3.942 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.747 -4.247 -4.123 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.688 -2.242 -2.286 1.00 0.00 N ATOM 1311 CA VAL A 86 -5.872 -1.702 -1.639 1.00 0.00 C ATOM 1312 C VAL A 86 -5.596 -0.264 -1.198 1.00 0.00 C ATOM 1313 O VAL A 86 -6.453 0.608 -1.340 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.296 -2.611 -0.483 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -5.773 -2.080 0.852 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.817 -2.780 -0.449 1.00 0.00 C ATOM 0 H VAL A 86 -4.359 -3.128 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.709 -1.673 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.853 -3.593 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.088 -2.744 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.684 -2.035 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.173 -1.081 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.092 -3.430 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.288 -1.806 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.155 -3.224 -1.385 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.398 -0.059 -0.672 1.00 0.00 N ATOM 1327 CA ALA A 87 -3.998 1.259 -0.209 1.00 0.00 C ATOM 1328 C ALA A 87 -4.229 2.278 -1.327 1.00 0.00 C ATOM 1329 O ALA A 87 -4.746 3.367 -1.082 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.540 1.219 0.251 1.00 0.00 C ATOM 0 H ALA A 87 -3.690 -0.784 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.600 1.564 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.241 2.208 0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.435 0.502 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.904 0.919 -0.582 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.834 1.889 -2.530 1.00 0.00 N ATOM 1337 CA GLY A 88 -3.990 2.756 -3.686 1.00 0.00 C ATOM 1338 C GLY A 88 -5.470 2.996 -3.994 1.00 0.00 C ATOM 1339 O GLY A 88 -5.931 4.137 -3.987 1.00 0.00 O ATOM 0 H GLY A 88 -3.406 0.985 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.494 3.709 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.503 2.306 -4.551 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.172 1.904 -4.257 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.589 1.982 -4.566 1.00 0.00 C ATOM 1345 C PHE A 89 -8.277 3.057 -3.722 1.00 0.00 C ATOM 1346 O PHE A 89 -9.066 3.847 -4.239 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.197 0.619 -4.228 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.275 0.670 -3.144 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.397 1.415 -3.335 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.112 -0.030 -1.989 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.397 1.462 -2.328 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.112 0.018 -0.983 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.234 0.762 -1.174 1.00 0.00 C ATOM 0 H PHE A 89 -5.786 0.960 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.726 2.240 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.627 0.190 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.401 -0.052 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.527 1.970 -4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.222 -0.622 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.288 2.054 -2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.982 -0.537 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.996 0.797 -0.409 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.952 3.053 -2.438 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.528 4.018 -1.517 1.00 0.00 C ATOM 1365 C LEU A 90 -7.890 5.388 -1.755 1.00 0.00 C ATOM 1366 O LEU A 90 -8.583 6.353 -2.073 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.403 3.523 -0.074 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.716 3.196 0.639 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.456 2.475 1.963 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.565 4.455 0.829 1.00 0.00 C ATOM 0 H LEU A 90 -7.297 2.397 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.597 4.128 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.778 2.630 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.877 4.282 0.505 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.287 2.515 0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.406 2.254 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.921 1.545 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.855 3.112 2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.493 4.195 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.013 5.179 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.795 4.889 -0.144 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.576 5.429 -1.592 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.836 6.664 -1.785 1.00 0.00 C ATOM 1384 C ASP A 91 -6.348 7.369 -3.042 1.00 0.00 C ATOM 1385 O ASP A 91 -6.698 8.548 -2.999 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.343 6.389 -1.972 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.410 7.430 -1.350 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.668 7.137 -0.401 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.466 8.602 -1.887 1.00 0.00 O ATOM 0 H ASP A 91 -6.005 4.626 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.980 7.284 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.112 5.414 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.132 6.326 -3.039 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.376 6.617 -4.133 1.00 0.00 N ATOM 1396 CA ALA A 92 -6.840 7.155 -5.401 1.00 0.00 C ATOM 1397 C ALA A 92 -8.209 7.810 -5.202 1.00 0.00 C ATOM 1398 O ALA A 92 -8.485 8.864 -5.773 1.00 0.00 O ATOM 1399 CB ALA A 92 -6.873 6.040 -6.447 1.00 0.00 C ATOM 0 H ALA A 92 -6.085 5.640 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.157 7.923 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.221 6.443 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.871 5.629 -6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.550 5.252 -6.118 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.029 7.158 -4.391 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.362 7.663 -4.110 1.00 0.00 C ATOM 1407 C GLU A 93 -10.292 8.814 -3.105 1.00 0.00 C ATOM 1408 O GLU A 93 -11.205 9.635 -3.031 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.276 6.546 -3.602 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.645 7.098 -3.201 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.773 6.252 -3.796 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.672 5.806 -4.949 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.782 6.062 -3.015 1.00 0.00 O ATOM 0 H GLU A 93 -8.796 6.284 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.789 8.042 -5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.398 5.790 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.814 6.054 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.731 7.113 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.740 8.129 -3.542 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.200 8.837 -2.355 1.00 0.00 N ATOM 1422 CA LEU A 94 -8.999 9.874 -1.357 1.00 0.00 C ATOM 1423 C LEU A 94 -8.397 11.111 -2.027 1.00 0.00 C ATOM 1424 O LEU A 94 -8.604 12.233 -1.567 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.166 9.341 -0.190 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.905 8.446 0.808 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.014 7.294 1.276 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.447 9.265 1.981 1.00 0.00 C ATOM 0 H LEU A 94 -8.445 8.154 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.953 10.177 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.324 8.780 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.751 10.191 0.352 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.762 8.004 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.563 6.674 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.719 6.690 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.124 7.696 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.968 8.606 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.620 9.754 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.140 10.020 1.609 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.665 10.865 -3.103 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.031 11.944 -3.841 1.00 0.00 C ATOM 1442 C GLY A 95 -5.730 12.381 -3.164 1.00 0.00 C ATOM 1443 O GLY A 95 -5.510 13.572 -2.945 1.00 0.00 O ATOM 0 H GLY A 95 -7.497 9.933 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.823 11.619 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.712 12.792 -3.909 1.00 0.00 H new