USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 SER OG : rot 180:sc= -0.529 USER MOD Set 1.2: A 91 HIS : no HE2:sc= -0.882 K(o=-1.4,f=0.21) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.59 (180deg=-0.905) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.6) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.32) USER MOD Single : A 44 MET CE :methyl 174:sc= -2.19 (180deg=-2.39) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.618 K(o=-0.62,f=-2.7!) USER MOD Single : A 61 GLN : amide:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0.615 (180deg=0.615) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0221 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -140:sc=-0.00436 USER MOD Single : A 82 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.4) USER MOD Single : A 83 THR OG1 : rot 93:sc= 0.368 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -6.688 8.805 2.957 1.00 0.00 N ATOM 187 CA PHE A 17 -6.653 7.722 1.981 1.00 0.00 C ATOM 188 C PHE A 17 -6.594 6.365 2.675 1.00 0.00 C ATOM 189 O PHE A 17 -7.355 5.454 2.345 1.00 0.00 O ATOM 190 CB PHE A 17 -5.450 7.885 1.050 1.00 0.00 C ATOM 191 CG PHE A 17 -5.281 9.282 0.526 1.00 0.00 C ATOM 192 CD1 PHE A 17 -5.966 9.700 -0.604 1.00 0.00 C ATOM 193 CD2 PHE A 17 -4.438 10.178 1.163 1.00 0.00 C ATOM 194 CE1 PHE A 17 -5.813 10.984 -1.088 1.00 0.00 C ATOM 195 CE2 PHE A 17 -4.280 11.464 0.683 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.969 11.868 -0.444 1.00 0.00 C ATOM 0 HA PHE A 17 -7.569 7.768 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.546 7.594 1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.557 7.201 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.627 9.013 -1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.898 9.868 2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.353 11.297 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.619 12.152 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.848 12.873 -0.821 1.00 0.00 H new ATOM 206 N ILE A 18 -5.687 6.238 3.637 1.00 0.00 N ATOM 207 CA ILE A 18 -5.529 4.992 4.379 1.00 0.00 C ATOM 208 C ILE A 18 -5.124 5.261 5.824 1.00 0.00 C ATOM 209 O ILE A 18 -4.291 6.125 6.095 1.00 0.00 O ATOM 210 CB ILE A 18 -4.474 4.079 3.724 1.00 0.00 C ATOM 211 CG1 ILE A 18 -4.733 3.959 2.221 1.00 0.00 C ATOM 212 CG2 ILE A 18 -4.481 2.707 4.381 1.00 0.00 C ATOM 213 CD1 ILE A 18 -3.699 3.127 1.495 1.00 0.00 C ATOM 0 H ILE A 18 -5.050 6.982 3.922 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.496 4.489 4.363 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.489 4.524 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.718 3.519 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.757 4.957 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.731 2.073 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.252 2.810 5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.465 2.253 4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.946 3.085 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.715 3.578 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.690 2.117 1.906 1.00 0.00 H new ATOM 225 N THR A 19 -5.720 4.516 6.749 1.00 0.00 N ATOM 226 CA THR A 19 -5.422 4.674 8.168 1.00 0.00 C ATOM 227 C THR A 19 -4.942 3.358 8.773 1.00 0.00 C ATOM 228 O THR A 19 -5.038 2.303 8.145 1.00 0.00 O ATOM 229 CB THR A 19 -6.656 5.175 8.918 1.00 0.00 C ATOM 230 OG1 THR A 19 -7.772 4.341 8.658 1.00 0.00 O ATOM 231 CG2 THR A 19 -7.047 6.590 8.551 1.00 0.00 C ATOM 0 H THR A 19 -6.413 3.797 6.541 1.00 0.00 H new ATOM 0 HA THR A 19 -4.624 5.410 8.266 1.00 0.00 H new ATOM 0 HB THR A 19 -6.382 5.153 9.973 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.552 4.676 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.930 6.883 9.119 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.225 7.267 8.784 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.268 6.641 7.485 1.00 0.00 H new ATOM 239 N LYS A 20 -4.427 3.428 9.996 1.00 0.00 N ATOM 240 CA LYS A 20 -3.932 2.244 10.687 1.00 0.00 C ATOM 241 C LYS A 20 -5.060 1.247 10.940 1.00 0.00 C ATOM 242 O LYS A 20 -4.837 0.037 10.971 1.00 0.00 O ATOM 243 CB LYS A 20 -3.280 2.638 12.014 1.00 0.00 C ATOM 244 CG LYS A 20 -4.124 3.585 12.849 1.00 0.00 C ATOM 245 CD LYS A 20 -3.610 3.679 14.277 1.00 0.00 C ATOM 246 CE LYS A 20 -2.529 4.739 14.413 1.00 0.00 C ATOM 247 NZ LYS A 20 -2.721 5.574 15.631 1.00 0.00 N ATOM 0 H LYS A 20 -4.342 4.293 10.529 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.187 1.768 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.080 1.736 12.593 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.317 3.106 11.811 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.119 4.575 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.159 3.242 12.856 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.437 3.913 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.213 2.712 14.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.552 4.258 14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.534 5.378 13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.964 6.285 15.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.643 6.053 15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.691 4.968 16.476 1.00 0.00 H new ATOM 261 N GLU A 21 -6.271 1.765 11.120 1.00 0.00 N ATOM 262 CA GLU A 21 -7.433 0.920 11.369 1.00 0.00 C ATOM 263 C GLU A 21 -7.660 -0.051 10.214 1.00 0.00 C ATOM 264 O GLU A 21 -7.802 -1.256 10.422 1.00 0.00 O ATOM 265 CB GLU A 21 -8.680 1.782 11.581 1.00 0.00 C ATOM 266 CG GLU A 21 -9.574 1.292 12.709 1.00 0.00 C ATOM 267 CD GLU A 21 -11.040 1.273 12.326 1.00 0.00 C ATOM 268 OE1 GLU A 21 -11.408 1.960 11.349 1.00 0.00 O ATOM 269 OE2 GLU A 21 -11.822 0.573 13.002 1.00 0.00 O ATOM 0 H GLU A 21 -6.473 2.765 11.098 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.242 0.340 12.272 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.372 2.806 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.256 1.806 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.266 0.288 13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.438 1.934 13.580 1.00 0.00 H new ATOM 276 N LYS A 22 -7.692 0.483 8.997 1.00 0.00 N ATOM 277 CA LYS A 22 -7.901 -0.337 7.809 1.00 0.00 C ATOM 278 C LYS A 22 -6.764 -1.338 7.630 1.00 0.00 C ATOM 279 O LYS A 22 -6.981 -2.466 7.189 1.00 0.00 O ATOM 280 CB LYS A 22 -8.016 0.549 6.567 1.00 0.00 C ATOM 281 CG LYS A 22 -9.438 0.987 6.260 1.00 0.00 C ATOM 282 CD LYS A 22 -9.482 2.410 5.729 1.00 0.00 C ATOM 283 CE LYS A 22 -9.785 3.408 6.833 1.00 0.00 C ATOM 284 NZ LYS A 22 -11.249 3.610 7.014 1.00 0.00 N ATOM 0 H LYS A 22 -7.576 1.479 8.808 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.830 -0.891 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.394 1.434 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.618 0.009 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.878 0.311 5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.044 0.916 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.526 2.657 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.241 2.486 4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.349 3.058 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.313 4.362 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.413 4.298 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.662 3.969 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.696 2.705 7.263 1.00 0.00 H new ATOM 298 N LYS A 23 -5.552 -0.916 7.975 1.00 0.00 N ATOM 299 CA LYS A 23 -4.380 -1.776 7.851 1.00 0.00 C ATOM 300 C LYS A 23 -4.535 -3.036 8.697 1.00 0.00 C ATOM 301 O LYS A 23 -4.011 -4.095 8.351 1.00 0.00 O ATOM 302 CB LYS A 23 -3.119 -1.018 8.273 1.00 0.00 C ATOM 303 CG LYS A 23 -2.543 -0.138 7.175 1.00 0.00 C ATOM 304 CD LYS A 23 -1.349 0.661 7.670 1.00 0.00 C ATOM 305 CE LYS A 23 -1.731 2.098 7.984 1.00 0.00 C ATOM 306 NZ LYS A 23 -1.046 2.601 9.207 1.00 0.00 N ATOM 0 H LYS A 23 -5.355 0.015 8.342 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.287 -2.071 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.350 -0.399 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.361 -1.736 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.242 -0.758 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.313 0.543 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.939 0.189 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.564 0.649 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.475 2.735 7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.811 2.165 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.542 3.443 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.054 1.861 9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.063 2.850 8.977 1.00 0.00 H new ATOM 320 N ASP A 24 -5.257 -2.914 9.806 1.00 0.00 N ATOM 321 CA ASP A 24 -5.480 -4.045 10.700 1.00 0.00 C ATOM 322 C ASP A 24 -6.533 -4.992 10.132 1.00 0.00 C ATOM 323 O ASP A 24 -6.398 -6.212 10.223 1.00 0.00 O ATOM 324 CB ASP A 24 -5.915 -3.550 12.081 1.00 0.00 C ATOM 325 CG ASP A 24 -5.603 -4.550 13.178 1.00 0.00 C ATOM 326 OD1 ASP A 24 -6.035 -5.717 13.058 1.00 0.00 O ATOM 327 OD2 ASP A 24 -4.929 -4.167 14.156 1.00 0.00 O ATOM 0 H ASP A 24 -5.697 -2.045 10.107 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.541 -4.591 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.415 -2.607 12.300 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.986 -3.348 12.071 1.00 0.00 H new ATOM 332 N THR A 25 -7.581 -4.421 9.548 1.00 0.00 N ATOM 333 CA THR A 25 -8.658 -5.215 8.967 1.00 0.00 C ATOM 334 C THR A 25 -8.131 -6.128 7.865 1.00 0.00 C ATOM 335 O THR A 25 -8.672 -7.208 7.629 1.00 0.00 O ATOM 336 CB THR A 25 -9.749 -4.300 8.408 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.229 -3.421 9.410 1.00 0.00 O ATOM 338 CG2 THR A 25 -10.936 -5.055 7.852 1.00 0.00 C ATOM 0 H THR A 25 -7.708 -3.412 9.464 1.00 0.00 H new ATOM 0 HA THR A 25 -9.082 -5.837 9.756 1.00 0.00 H new ATOM 0 HB THR A 25 -9.276 -3.750 7.595 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.925 -2.843 9.032 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.672 -4.347 7.472 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.606 -5.705 7.042 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.386 -5.658 8.641 1.00 0.00 H new ATOM 346 N VAL A 26 -7.073 -5.688 7.191 1.00 0.00 N ATOM 347 CA VAL A 26 -6.474 -6.465 6.114 1.00 0.00 C ATOM 348 C VAL A 26 -5.723 -7.677 6.659 1.00 0.00 C ATOM 349 O VAL A 26 -5.956 -8.807 6.231 1.00 0.00 O ATOM 350 CB VAL A 26 -5.505 -5.612 5.275 1.00 0.00 C ATOM 351 CG1 VAL A 26 -5.045 -6.378 4.045 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.159 -4.295 4.880 1.00 0.00 C ATOM 0 H VAL A 26 -6.613 -4.796 7.373 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.293 -6.803 5.479 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.628 -5.388 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.361 -5.758 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.535 -7.290 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.909 -6.635 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.460 -3.705 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.054 -4.495 4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.432 -3.741 5.778 1.00 0.00 H new ATOM 362 N LEU A 27 -4.822 -7.433 7.603 1.00 0.00 N ATOM 363 CA LEU A 27 -4.036 -8.504 8.205 1.00 0.00 C ATOM 364 C LEU A 27 -4.930 -9.475 8.971 1.00 0.00 C ATOM 365 O LEU A 27 -4.619 -10.660 9.086 1.00 0.00 O ATOM 366 CB LEU A 27 -2.974 -7.923 9.142 1.00 0.00 C ATOM 367 CG LEU A 27 -2.131 -6.794 8.548 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.192 -6.221 9.598 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.345 -7.292 7.343 1.00 0.00 C ATOM 0 H LEU A 27 -4.617 -6.503 7.968 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.542 -9.051 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.468 -7.552 10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.308 -8.727 9.454 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.802 -6.001 8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.600 -5.419 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.774 -5.827 10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.528 -7.006 9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.751 -6.475 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.684 -8.103 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.036 -7.655 6.582 1.00 0.00 H new ATOM 381 N ARG A 28 -6.040 -8.964 9.494 1.00 0.00 N ATOM 382 CA ARG A 28 -6.978 -9.787 10.249 1.00 0.00 C ATOM 383 C ARG A 28 -7.497 -10.944 9.402 1.00 0.00 C ATOM 384 O ARG A 28 -7.827 -12.009 9.923 1.00 0.00 O ATOM 385 CB ARG A 28 -8.149 -8.938 10.745 1.00 0.00 C ATOM 386 CG ARG A 28 -8.717 -9.402 12.076 1.00 0.00 C ATOM 387 CD ARG A 28 -10.223 -9.212 12.137 1.00 0.00 C ATOM 388 NE ARG A 28 -10.795 -9.751 13.369 1.00 0.00 N ATOM 389 CZ ARG A 28 -10.641 -9.189 14.565 1.00 0.00 C ATOM 390 NH1 ARG A 28 -9.936 -8.073 14.697 1.00 0.00 N ATOM 391 NH2 ARG A 28 -11.195 -9.745 15.635 1.00 0.00 N ATOM 0 H ARG A 28 -6.312 -7.985 9.409 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.448 -10.200 11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.821 -7.903 10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.941 -8.954 9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.476 -10.454 12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.246 -8.846 12.887 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.457 -8.150 12.063 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.685 -9.701 11.279 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.344 -10.608 13.308 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.508 -7.640 13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.822 -7.648 15.617 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.739 -10.603 15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.077 -9.315 16.552 1.00 0.00 H new ATOM 405 N GLN A 29 -7.568 -10.728 8.092 1.00 0.00 N ATOM 406 CA GLN A 29 -8.049 -11.754 7.173 1.00 0.00 C ATOM 407 C GLN A 29 -6.944 -12.750 6.837 1.00 0.00 C ATOM 408 O GLN A 29 -7.210 -13.924 6.581 1.00 0.00 O ATOM 409 CB GLN A 29 -8.577 -11.109 5.890 1.00 0.00 C ATOM 410 CG GLN A 29 -9.878 -10.349 6.082 1.00 0.00 C ATOM 411 CD GLN A 29 -10.386 -9.729 4.795 1.00 0.00 C ATOM 412 OE1 GLN A 29 -9.628 -9.110 4.048 1.00 0.00 O ATOM 413 NE2 GLN A 29 -11.678 -9.891 4.529 1.00 0.00 N ATOM 0 H GLN A 29 -7.299 -9.852 7.643 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.860 -12.293 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.822 -10.427 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.726 -11.884 5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.635 -11.026 6.478 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.731 -9.565 6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.271 -10.411 5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.077 -9.495 3.678 1.00 0.00 H new ATOM 422 N VAL A 30 -5.702 -12.274 6.840 1.00 0.00 N ATOM 423 CA VAL A 30 -4.559 -13.126 6.534 1.00 0.00 C ATOM 424 C VAL A 30 -4.098 -13.895 7.768 1.00 0.00 C ATOM 425 O VAL A 30 -3.670 -15.045 7.670 1.00 0.00 O ATOM 426 CB VAL A 30 -3.377 -12.304 5.986 1.00 0.00 C ATOM 427 CG1 VAL A 30 -2.273 -13.224 5.485 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.844 -11.369 4.880 1.00 0.00 C ATOM 0 H VAL A 30 -5.463 -11.305 7.051 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.888 -13.832 5.771 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.973 -11.698 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.447 -12.625 5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.919 -13.848 6.306 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.662 -13.858 4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.996 -10.797 4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.275 -11.954 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.597 -10.686 5.274 1.00 0.00 H new ATOM 438 N ARG A 31 -4.187 -13.253 8.927 1.00 0.00 N ATOM 439 CA ARG A 31 -3.779 -13.876 10.181 1.00 0.00 C ATOM 440 C ARG A 31 -4.579 -15.149 10.445 1.00 0.00 C ATOM 441 O ARG A 31 -4.089 -16.081 11.081 1.00 0.00 O ATOM 442 CB ARG A 31 -3.956 -12.897 11.344 1.00 0.00 C ATOM 443 CG ARG A 31 -2.680 -12.160 11.716 1.00 0.00 C ATOM 444 CD ARG A 31 -2.982 -10.838 12.404 1.00 0.00 C ATOM 445 NE ARG A 31 -1.800 -10.277 13.055 1.00 0.00 N ATOM 446 CZ ARG A 31 -1.339 -10.687 14.234 1.00 0.00 C ATOM 447 NH1 ARG A 31 -1.955 -11.661 14.894 1.00 0.00 N ATOM 448 NH2 ARG A 31 -0.257 -10.124 14.755 1.00 0.00 N ATOM 0 H ARG A 31 -4.538 -12.300 9.025 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.725 -14.143 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.723 -12.169 11.082 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.318 -13.442 12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.076 -12.785 12.374 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.089 -11.978 10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.364 -10.127 11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.768 -10.986 13.145 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.299 -9.527 12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.786 -12.099 14.498 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.597 -11.971 15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.222 -9.377 14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.096 -10.438 15.659 1.00 0.00 H new ATOM 462 N LEU A 32 -5.814 -15.180 9.951 1.00 0.00 N ATOM 463 CA LEU A 32 -6.680 -16.339 10.136 1.00 0.00 C ATOM 464 C LEU A 32 -6.325 -17.448 9.151 1.00 0.00 C ATOM 465 O LEU A 32 -6.003 -18.567 9.551 1.00 0.00 O ATOM 466 CB LEU A 32 -8.146 -15.936 9.963 1.00 0.00 C ATOM 467 CG LEU A 32 -8.834 -15.436 11.234 1.00 0.00 C ATOM 468 CD1 LEU A 32 -10.145 -14.743 10.894 1.00 0.00 C ATOM 469 CD2 LEU A 32 -9.073 -16.588 12.198 1.00 0.00 C ATOM 0 H LEU A 32 -6.236 -14.417 9.421 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.530 -16.717 11.147 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.205 -15.155 9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.700 -16.794 9.581 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.179 -14.712 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.620 -14.394 11.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.948 -13.893 10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.807 -15.445 10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.563 -16.214 13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.708 -17.335 11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.119 -17.041 12.467 1.00 0.00 H new ATOM 481 N ASP A 33 -6.389 -17.132 7.861 1.00 0.00 N ATOM 482 CA ASP A 33 -6.075 -18.103 6.820 1.00 0.00 C ATOM 483 C ASP A 33 -5.066 -17.533 5.826 1.00 0.00 C ATOM 484 O ASP A 33 -5.444 -16.937 4.817 1.00 0.00 O ATOM 485 CB ASP A 33 -7.350 -18.522 6.084 1.00 0.00 C ATOM 486 CG ASP A 33 -7.227 -19.894 5.451 1.00 0.00 C ATOM 487 OD1 ASP A 33 -6.222 -20.136 4.750 1.00 0.00 O ATOM 488 OD2 ASP A 33 -8.136 -20.726 5.655 1.00 0.00 O ATOM 0 H ASP A 33 -6.655 -16.211 7.512 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.632 -18.977 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.187 -18.521 6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.579 -17.788 5.312 1.00 0.00 H new ATOM 493 N PRO A 34 -3.761 -17.710 6.098 1.00 0.00 N ATOM 494 CA PRO A 34 -2.698 -17.210 5.220 1.00 0.00 C ATOM 495 C PRO A 34 -2.608 -17.994 3.916 1.00 0.00 C ATOM 496 O PRO A 34 -3.207 -19.061 3.780 1.00 0.00 O ATOM 497 CB PRO A 34 -1.429 -17.408 6.053 1.00 0.00 C ATOM 498 CG PRO A 34 -1.754 -18.535 6.971 1.00 0.00 C ATOM 499 CD PRO A 34 -3.220 -18.411 7.279 1.00 0.00 C ATOM 0 HA PRO A 34 -2.869 -16.177 4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.573 -17.646 5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.174 -16.505 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.534 -19.495 6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.158 -18.480 7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.686 -19.387 7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.391 -17.846 8.195 1.00 0.00 H new ATOM 507 N CYS A 35 -1.857 -17.459 2.959 1.00 0.00 N ATOM 508 CA CYS A 35 -1.690 -18.111 1.665 1.00 0.00 C ATOM 509 C CYS A 35 -0.537 -17.486 0.886 1.00 0.00 C ATOM 510 O CYS A 35 0.483 -18.132 0.642 1.00 0.00 O ATOM 511 CB CYS A 35 -2.982 -18.015 0.852 1.00 0.00 C ATOM 512 SG CYS A 35 -3.075 -19.185 -0.524 1.00 0.00 S ATOM 0 H CYS A 35 -1.355 -16.576 3.055 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.458 -19.161 1.842 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.830 -18.183 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.079 -17.002 0.461 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.204 -19.030 -1.150 1.00 0.00 H new ATOM 518 N ASP A 36 -0.705 -16.226 0.499 1.00 0.00 N ATOM 519 CA ASP A 36 0.322 -15.514 -0.254 1.00 0.00 C ATOM 520 C ASP A 36 0.008 -14.024 -0.327 1.00 0.00 C ATOM 521 O ASP A 36 -1.156 -13.625 -0.366 1.00 0.00 O ATOM 522 CB ASP A 36 0.443 -16.092 -1.664 1.00 0.00 C ATOM 523 CG ASP A 36 1.803 -15.830 -2.282 1.00 0.00 C ATOM 524 OD1 ASP A 36 2.809 -15.865 -1.541 1.00 0.00 O ATOM 525 OD2 ASP A 36 1.862 -15.590 -3.506 1.00 0.00 O ATOM 0 H ASP A 36 -1.542 -15.677 0.694 1.00 0.00 H new ATOM 0 HA ASP A 36 1.272 -15.641 0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.264 -17.167 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.331 -15.660 -2.299 1.00 0.00 H new ATOM 530 N LEU A 37 1.055 -13.204 -0.345 1.00 0.00 N ATOM 531 CA LEU A 37 0.890 -11.757 -0.414 1.00 0.00 C ATOM 532 C LEU A 37 1.888 -11.142 -1.391 1.00 0.00 C ATOM 533 O LEU A 37 2.426 -10.061 -1.147 1.00 0.00 O ATOM 534 CB LEU A 37 1.067 -11.136 0.974 1.00 0.00 C ATOM 535 CG LEU A 37 0.135 -11.687 2.054 1.00 0.00 C ATOM 536 CD1 LEU A 37 0.844 -11.735 3.398 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.129 -10.846 2.145 1.00 0.00 C ATOM 0 H LEU A 37 2.025 -13.517 -0.313 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.118 -11.547 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.098 -11.287 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.912 -10.060 0.896 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.147 -12.704 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.165 -12.130 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.720 -12.380 3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.157 -10.730 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.781 -11.252 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.865 -9.818 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.648 -10.864 1.187 1.00 0.00 H new ATOM 549 N GLN A 38 2.131 -11.838 -2.497 1.00 0.00 N ATOM 550 CA GLN A 38 3.065 -11.359 -3.510 1.00 0.00 C ATOM 551 C GLN A 38 2.359 -10.466 -4.529 1.00 0.00 C ATOM 552 O GLN A 38 2.795 -9.344 -4.787 1.00 0.00 O ATOM 553 CB GLN A 38 3.730 -12.541 -4.219 1.00 0.00 C ATOM 554 CG GLN A 38 5.242 -12.419 -4.318 1.00 0.00 C ATOM 555 CD GLN A 38 5.897 -12.187 -2.971 1.00 0.00 C ATOM 556 OE1 GLN A 38 5.951 -13.086 -2.131 1.00 0.00 O ATOM 557 NE2 GLN A 38 6.398 -10.976 -2.757 1.00 0.00 N ATOM 0 H GLN A 38 1.695 -12.734 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 38 3.831 -10.767 -3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.482 -13.459 -3.687 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.315 -12.632 -5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.648 -13.327 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.493 -11.596 -4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.331 -10.261 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.850 -10.761 -1.868 1.00 0.00 H new ATOM 566 N PRO A 39 1.255 -10.954 -5.125 1.00 0.00 N ATOM 567 CA PRO A 39 0.493 -10.190 -6.118 1.00 0.00 C ATOM 568 C PRO A 39 0.130 -8.794 -5.625 1.00 0.00 C ATOM 569 O PRO A 39 -0.031 -7.866 -6.418 1.00 0.00 O ATOM 570 CB PRO A 39 -0.769 -11.031 -6.322 1.00 0.00 C ATOM 571 CG PRO A 39 -0.358 -12.419 -5.971 1.00 0.00 C ATOM 572 CD PRO A 39 0.664 -12.283 -4.877 1.00 0.00 C ATOM 0 HA PRO A 39 1.065 -10.027 -7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.583 -10.686 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.123 -10.971 -7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.213 -13.006 -5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.062 -12.932 -6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.206 -12.341 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.414 -13.072 -4.927 1.00 0.00 H new ATOM 580 N ILE A 40 -0.001 -8.652 -4.310 1.00 0.00 N ATOM 581 CA ILE A 40 -0.347 -7.369 -3.711 1.00 0.00 C ATOM 582 C ILE A 40 0.832 -6.402 -3.761 1.00 0.00 C ATOM 583 O ILE A 40 0.648 -5.189 -3.870 1.00 0.00 O ATOM 584 CB ILE A 40 -0.798 -7.536 -2.247 1.00 0.00 C ATOM 585 CG1 ILE A 40 -1.849 -8.640 -2.137 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.343 -6.222 -1.708 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.340 -8.871 -0.725 1.00 0.00 C ATOM 0 H ILE A 40 0.127 -9.410 -3.639 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.173 -6.961 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 40 0.066 -7.822 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.698 -8.386 -2.771 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.430 -9.569 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.658 -6.356 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.566 -5.459 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.197 -5.908 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.083 -9.668 -0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.501 -9.157 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.790 -7.955 -0.342 1.00 0.00 H new ATOM 599 N PHE A 41 2.042 -6.946 -3.678 1.00 0.00 N ATOM 600 CA PHE A 41 3.250 -6.130 -3.712 1.00 0.00 C ATOM 601 C PHE A 41 3.746 -5.948 -5.143 1.00 0.00 C ATOM 602 O PHE A 41 4.230 -4.879 -5.512 1.00 0.00 O ATOM 603 CB PHE A 41 4.346 -6.768 -2.857 1.00 0.00 C ATOM 604 CG PHE A 41 4.060 -6.727 -1.383 1.00 0.00 C ATOM 605 CD1 PHE A 41 2.934 -7.346 -0.865 1.00 0.00 C ATOM 606 CD2 PHE A 41 4.916 -6.067 -0.517 1.00 0.00 C ATOM 607 CE1 PHE A 41 2.667 -7.310 0.490 1.00 0.00 C ATOM 608 CE2 PHE A 41 4.655 -6.027 0.841 1.00 0.00 C ATOM 609 CZ PHE A 41 3.529 -6.648 1.344 1.00 0.00 C ATOM 0 H PHE A 41 2.212 -7.948 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 41 3.006 -5.149 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.477 -7.806 -3.164 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.289 -6.257 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.257 -7.863 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.797 -5.578 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.787 -7.798 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.331 -5.511 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.322 -6.617 2.404 1.00 0.00 H new ATOM 619 N ASP A 42 3.622 -7.001 -5.945 1.00 0.00 N ATOM 620 CA ASP A 42 4.060 -6.959 -7.336 1.00 0.00 C ATOM 621 C ASP A 42 3.345 -5.849 -8.101 1.00 0.00 C ATOM 622 O ASP A 42 3.895 -5.275 -9.040 1.00 0.00 O ATOM 623 CB ASP A 42 3.804 -8.307 -8.013 1.00 0.00 C ATOM 624 CG ASP A 42 4.992 -9.242 -7.906 1.00 0.00 C ATOM 625 OD1 ASP A 42 5.502 -9.426 -6.781 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.412 -9.790 -8.946 1.00 0.00 O ATOM 0 H ASP A 42 3.222 -7.894 -5.656 1.00 0.00 H new ATOM 0 HA ASP A 42 5.130 -6.751 -7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.932 -8.778 -7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.567 -8.143 -9.064 1.00 0.00 H new ATOM 631 N ASP A 43 2.114 -5.553 -7.694 1.00 0.00 N ATOM 632 CA ASP A 43 1.325 -4.511 -8.341 1.00 0.00 C ATOM 633 C ASP A 43 1.643 -3.141 -7.752 1.00 0.00 C ATOM 634 O ASP A 43 1.571 -2.125 -8.444 1.00 0.00 O ATOM 635 CB ASP A 43 -0.168 -4.809 -8.193 1.00 0.00 C ATOM 636 CG ASP A 43 -1.000 -4.142 -9.270 1.00 0.00 C ATOM 637 OD1 ASP A 43 -1.349 -2.955 -9.101 1.00 0.00 O ATOM 638 OD2 ASP A 43 -1.303 -4.807 -10.284 1.00 0.00 O ATOM 0 H ASP A 43 1.642 -6.020 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 43 1.584 -4.499 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.326 -5.887 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.508 -4.471 -7.214 1.00 0.00 H new ATOM 643 N MET A 44 1.994 -3.120 -6.470 1.00 0.00 N ATOM 644 CA MET A 44 2.322 -1.873 -5.787 1.00 0.00 C ATOM 645 C MET A 44 3.780 -1.484 -6.021 1.00 0.00 C ATOM 646 O MET A 44 4.150 -0.319 -5.877 1.00 0.00 O ATOM 647 CB MET A 44 2.053 -2.005 -4.287 1.00 0.00 C ATOM 648 CG MET A 44 0.585 -2.203 -3.948 1.00 0.00 C ATOM 649 SD MET A 44 -0.219 -0.676 -3.424 1.00 0.00 S ATOM 650 CE MET A 44 0.192 0.408 -4.789 1.00 0.00 C ATOM 0 H MET A 44 2.059 -3.952 -5.883 1.00 0.00 H new ATOM 0 HA MET A 44 1.688 -1.088 -6.198 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.624 -2.847 -3.897 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.417 -1.111 -3.781 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.066 -2.602 -4.819 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.496 -2.946 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.323 1.361 -4.665 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.269 0.578 -4.808 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.119 -0.053 -5.726 1.00 0.00 H new ATOM 660 N LEU A 45 4.606 -2.464 -6.380 1.00 0.00 N ATOM 661 CA LEU A 45 6.023 -2.220 -6.631 1.00 0.00 C ATOM 662 C LEU A 45 6.217 -1.099 -7.649 1.00 0.00 C ATOM 663 O LEU A 45 7.220 -0.386 -7.619 1.00 0.00 O ATOM 664 CB LEU A 45 6.701 -3.498 -7.128 1.00 0.00 C ATOM 665 CG LEU A 45 7.255 -4.407 -6.029 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.807 -5.692 -6.628 1.00 0.00 C ATOM 667 CD2 LEU A 45 8.330 -3.684 -5.232 1.00 0.00 C ATOM 0 H LEU A 45 4.318 -3.435 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 45 6.482 -1.912 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.983 -4.065 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.517 -3.222 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 45 6.441 -4.666 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.197 -6.326 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.012 -6.219 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.609 -5.453 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.713 -4.345 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.144 -3.396 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.904 -2.792 -4.772 1.00 0.00 H new ATOM 679 N HIS A 46 5.251 -0.949 -8.550 1.00 0.00 N ATOM 680 CA HIS A 46 5.318 0.086 -9.576 1.00 0.00 C ATOM 681 C HIS A 46 4.948 1.449 -9.001 1.00 0.00 C ATOM 682 O HIS A 46 5.666 2.431 -9.193 1.00 0.00 O ATOM 683 CB HIS A 46 4.389 -0.263 -10.741 1.00 0.00 C ATOM 684 CG HIS A 46 5.099 -0.866 -11.912 1.00 0.00 C ATOM 685 ND1 HIS A 46 4.931 -0.445 -13.213 1.00 0.00 N ATOM 686 CD2 HIS A 46 5.998 -1.882 -11.962 1.00 0.00 C ATOM 687 CE1 HIS A 46 5.714 -1.201 -13.994 1.00 0.00 C ATOM 688 NE2 HIS A 46 6.383 -2.088 -13.283 1.00 0.00 N ATOM 0 H HIS A 46 4.414 -1.530 -8.591 1.00 0.00 H new ATOM 0 HA HIS A 46 6.344 0.136 -9.941 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.626 -0.959 -10.391 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.872 0.640 -11.066 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.357 -2.442 -11.111 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.788 -1.098 -15.067 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.046 -2.782 -13.630 1.00 0.00 H new ATOM 696 N PHE A 47 3.824 1.502 -8.294 1.00 0.00 N ATOM 697 CA PHE A 47 3.358 2.746 -7.690 1.00 0.00 C ATOM 698 C PHE A 47 4.386 3.292 -6.704 1.00 0.00 C ATOM 699 O PHE A 47 4.503 4.504 -6.522 1.00 0.00 O ATOM 700 CB PHE A 47 2.023 2.522 -6.979 1.00 0.00 C ATOM 701 CG PHE A 47 0.917 2.090 -7.900 1.00 0.00 C ATOM 702 CD1 PHE A 47 0.760 0.756 -8.237 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.035 3.019 -8.428 1.00 0.00 C ATOM 704 CE1 PHE A 47 -0.256 0.355 -9.083 1.00 0.00 C ATOM 705 CE2 PHE A 47 -0.983 2.625 -9.275 1.00 0.00 C ATOM 706 CZ PHE A 47 -1.129 1.291 -9.604 1.00 0.00 C ATOM 0 H PHE A 47 3.219 0.699 -8.125 1.00 0.00 H new ATOM 0 HA PHE A 47 3.221 3.478 -8.486 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.156 1.767 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.728 3.444 -6.478 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.440 0.020 -7.834 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.145 4.063 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.368 -0.689 -9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.664 3.359 -9.680 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.923 0.981 -10.267 1.00 0.00 H new ATOM 716 N LEU A 48 5.126 2.389 -6.069 1.00 0.00 N ATOM 717 CA LEU A 48 6.143 2.781 -5.099 1.00 0.00 C ATOM 718 C LEU A 48 7.436 3.185 -5.798 1.00 0.00 C ATOM 719 O LEU A 48 7.597 2.975 -7.001 1.00 0.00 O ATOM 720 CB LEU A 48 6.414 1.634 -4.123 1.00 0.00 C ATOM 721 CG LEU A 48 5.186 1.126 -3.365 1.00 0.00 C ATOM 722 CD1 LEU A 48 5.275 -0.377 -3.149 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.047 1.850 -2.034 1.00 0.00 C ATOM 0 H LEU A 48 5.041 1.382 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 48 5.768 3.641 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.851 0.802 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.159 1.962 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 48 4.300 1.333 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.393 -0.720 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.328 -0.881 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.169 -0.609 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.169 1.477 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.936 1.672 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.937 2.920 -2.212 1.00 0.00 H new ATOM 735 N ASN A 49 8.356 3.768 -5.036 1.00 0.00 N ATOM 736 CA ASN A 49 9.637 4.205 -5.579 1.00 0.00 C ATOM 737 C ASN A 49 10.769 3.303 -5.091 1.00 0.00 C ATOM 738 O ASN A 49 10.598 2.538 -4.143 1.00 0.00 O ATOM 739 CB ASN A 49 9.914 5.656 -5.183 1.00 0.00 C ATOM 740 CG ASN A 49 9.538 6.635 -6.278 1.00 0.00 C ATOM 741 OD1 ASN A 49 10.385 7.059 -7.065 1.00 0.00 O ATOM 742 ND2 ASN A 49 8.262 7.001 -6.334 1.00 0.00 N ATOM 0 H ASN A 49 8.238 3.949 -4.039 1.00 0.00 H new ATOM 0 HA ASN A 49 9.587 4.138 -6.666 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.356 5.896 -4.278 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.972 5.769 -4.945 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.951 7.658 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.594 6.625 -5.662 1.00 0.00 H new ATOM 749 N PRO A 50 11.947 3.385 -5.734 1.00 0.00 N ATOM 750 CA PRO A 50 13.110 2.573 -5.358 1.00 0.00 C ATOM 751 C PRO A 50 13.576 2.856 -3.934 1.00 0.00 C ATOM 752 O PRO A 50 13.988 1.948 -3.213 1.00 0.00 O ATOM 753 CB PRO A 50 14.189 2.988 -6.365 1.00 0.00 C ATOM 754 CG PRO A 50 13.740 4.308 -6.894 1.00 0.00 C ATOM 755 CD PRO A 50 12.239 4.271 -6.873 1.00 0.00 C ATOM 0 HA PRO A 50 12.881 1.508 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.165 3.066 -5.887 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.284 2.254 -7.165 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.119 5.124 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.113 4.471 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.812 5.264 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.832 3.879 -7.805 1.00 0.00 H new ATOM 763 N GLU A 51 13.509 4.122 -3.536 1.00 0.00 N ATOM 764 CA GLU A 51 13.924 4.525 -2.198 1.00 0.00 C ATOM 765 C GLU A 51 12.894 4.100 -1.156 1.00 0.00 C ATOM 766 O GLU A 51 13.237 3.819 -0.008 1.00 0.00 O ATOM 767 CB GLU A 51 14.132 6.040 -2.141 1.00 0.00 C ATOM 768 CG GLU A 51 15.336 6.457 -1.311 1.00 0.00 C ATOM 769 CD GLU A 51 16.586 6.634 -2.149 1.00 0.00 C ATOM 770 OE1 GLU A 51 16.985 5.668 -2.834 1.00 0.00 O ATOM 771 OE2 GLU A 51 17.169 7.738 -2.120 1.00 0.00 O ATOM 0 H GLU A 51 13.171 4.886 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 51 14.867 4.027 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.251 6.421 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.237 6.506 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.112 7.391 -0.796 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.521 5.706 -0.543 1.00 0.00 H new ATOM 778 N GLU A 52 11.630 4.055 -1.565 1.00 0.00 N ATOM 779 CA GLU A 52 10.549 3.665 -0.667 1.00 0.00 C ATOM 780 C GLU A 52 10.606 2.172 -0.361 1.00 0.00 C ATOM 781 O GLU A 52 10.289 1.742 0.748 1.00 0.00 O ATOM 782 CB GLU A 52 9.194 4.020 -1.281 1.00 0.00 C ATOM 783 CG GLU A 52 8.966 5.515 -1.427 1.00 0.00 C ATOM 784 CD GLU A 52 7.795 5.840 -2.334 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.939 4.954 -2.538 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.735 6.981 -2.840 1.00 0.00 O ATOM 0 H GLU A 52 11.329 4.284 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 52 10.672 4.213 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.115 3.551 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.402 3.599 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.790 5.950 -0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.869 5.979 -1.824 1.00 0.00 H new ATOM 793 N LEU A 53 11.011 1.386 -1.352 1.00 0.00 N ATOM 794 CA LEU A 53 11.110 -0.060 -1.190 1.00 0.00 C ATOM 795 C LEU A 53 12.095 -0.420 -0.082 1.00 0.00 C ATOM 796 O LEU A 53 11.946 -1.442 0.587 1.00 0.00 O ATOM 797 CB LEU A 53 11.542 -0.714 -2.505 1.00 0.00 C ATOM 798 CG LEU A 53 10.499 -0.673 -3.622 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.073 -1.246 -4.908 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.246 -1.432 -3.211 1.00 0.00 C ATOM 0 H LEU A 53 11.276 1.726 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 53 10.126 -0.436 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.449 -0.222 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.800 -1.754 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 53 10.227 0.367 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.317 -1.209 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.940 -0.660 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.374 -2.281 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.515 -1.392 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.502 -2.471 -3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.823 -0.977 -2.315 1.00 0.00 H new ATOM 812 N ARG A 54 13.102 0.428 0.104 1.00 0.00 N ATOM 813 CA ARG A 54 14.113 0.199 1.130 1.00 0.00 C ATOM 814 C ARG A 54 13.479 0.133 2.516 1.00 0.00 C ATOM 815 O ARG A 54 13.854 -0.698 3.343 1.00 0.00 O ATOM 816 CB ARG A 54 15.168 1.306 1.090 1.00 0.00 C ATOM 817 CG ARG A 54 16.584 0.806 1.327 1.00 0.00 C ATOM 818 CD ARG A 54 17.536 1.952 1.633 1.00 0.00 C ATOM 819 NE ARG A 54 17.642 2.207 3.067 1.00 0.00 N ATOM 820 CZ ARG A 54 18.367 1.464 3.900 1.00 0.00 C ATOM 821 NH1 ARG A 54 19.046 0.417 3.447 1.00 0.00 N ATOM 822 NH2 ARG A 54 18.411 1.768 5.191 1.00 0.00 N ATOM 0 H ARG A 54 13.239 1.279 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 54 14.592 -0.758 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.125 1.803 0.121 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.925 2.055 1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.587 0.098 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.933 0.267 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.523 1.720 1.232 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.191 2.855 1.129 1.00 0.00 H new ATOM 0 HE ARG A 54 17.131 3.001 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.014 0.178 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.600 -0.149 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.890 2.570 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.966 1.199 5.830 1.00 0.00 H new ATOM 836 N VAL A 55 12.516 1.016 2.763 1.00 0.00 N ATOM 837 CA VAL A 55 11.830 1.058 4.049 1.00 0.00 C ATOM 838 C VAL A 55 11.042 -0.224 4.294 1.00 0.00 C ATOM 839 O VAL A 55 10.899 -0.668 5.434 1.00 0.00 O ATOM 840 CB VAL A 55 10.872 2.263 4.136 1.00 0.00 C ATOM 841 CG1 VAL A 55 10.284 2.380 5.534 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.588 3.546 3.741 1.00 0.00 C ATOM 0 H VAL A 55 12.194 1.711 2.090 1.00 0.00 H new ATOM 0 HA VAL A 55 12.599 1.160 4.815 1.00 0.00 H new ATOM 0 HB VAL A 55 10.053 2.102 3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.611 3.236 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.731 1.472 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.088 2.516 6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.895 4.385 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.429 3.715 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.953 3.459 2.718 1.00 0.00 H new ATOM 852 N ILE A 56 10.531 -0.813 3.218 1.00 0.00 N ATOM 853 CA ILE A 56 9.757 -2.045 3.317 1.00 0.00 C ATOM 854 C ILE A 56 10.667 -3.269 3.313 1.00 0.00 C ATOM 855 O ILE A 56 10.359 -4.286 3.933 1.00 0.00 O ATOM 856 CB ILE A 56 8.746 -2.168 2.162 1.00 0.00 C ATOM 857 CG1 ILE A 56 7.948 -0.870 2.014 1.00 0.00 C ATOM 858 CG2 ILE A 56 7.812 -3.346 2.397 1.00 0.00 C ATOM 859 CD1 ILE A 56 7.114 -0.813 0.753 1.00 0.00 C ATOM 0 H ILE A 56 10.639 -0.457 2.268 1.00 0.00 H new ATOM 0 HA ILE A 56 9.215 -2.002 4.262 1.00 0.00 H new ATOM 0 HB ILE A 56 9.294 -2.344 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.294 -0.755 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.638 -0.026 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.104 -3.419 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.394 -4.265 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.268 -3.199 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.576 0.134 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.765 -0.896 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.399 -1.636 0.752 1.00 0.00 H new ATOM 871 N GLU A 57 11.790 -3.161 2.610 1.00 0.00 N ATOM 872 CA GLU A 57 12.747 -4.258 2.526 1.00 0.00 C ATOM 873 C GLU A 57 13.277 -4.626 3.908 1.00 0.00 C ATOM 874 O GLU A 57 13.613 -5.782 4.168 1.00 0.00 O ATOM 875 CB GLU A 57 13.907 -3.878 1.601 1.00 0.00 C ATOM 876 CG GLU A 57 13.940 -4.676 0.308 1.00 0.00 C ATOM 877 CD GLU A 57 15.253 -5.408 0.105 1.00 0.00 C ATOM 878 OE1 GLU A 57 15.593 -6.262 0.950 1.00 0.00 O ATOM 879 OE2 GLU A 57 15.941 -5.125 -0.899 1.00 0.00 O ATOM 0 H GLU A 57 12.059 -2.325 2.091 1.00 0.00 H new ATOM 0 HA GLU A 57 12.234 -5.127 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.837 -2.817 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.847 -4.024 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.123 -5.398 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.769 -4.004 -0.533 1.00 0.00 H new ATOM 886 N GLU A 58 13.349 -3.636 4.792 1.00 0.00 N ATOM 887 CA GLU A 58 13.839 -3.855 6.148 1.00 0.00 C ATOM 888 C GLU A 58 12.962 -4.859 6.890 1.00 0.00 C ATOM 889 O GLU A 58 13.439 -5.592 7.756 1.00 0.00 O ATOM 890 CB GLU A 58 13.881 -2.533 6.917 1.00 0.00 C ATOM 891 CG GLU A 58 14.758 -1.478 6.263 1.00 0.00 C ATOM 892 CD GLU A 58 14.299 -0.066 6.571 1.00 0.00 C ATOM 893 OE1 GLU A 58 13.081 0.135 6.758 1.00 0.00 O ATOM 894 OE2 GLU A 58 15.158 0.838 6.627 1.00 0.00 O ATOM 0 H GLU A 58 13.074 -2.674 4.593 1.00 0.00 H new ATOM 0 HA GLU A 58 14.848 -4.262 6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.867 -2.144 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.245 -2.721 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.786 -1.604 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.758 -1.629 5.183 1.00 0.00 H new ATOM 901 N ILE A 59 11.678 -4.887 6.545 1.00 0.00 N ATOM 902 CA ILE A 59 10.736 -5.801 7.179 1.00 0.00 C ATOM 903 C ILE A 59 10.790 -7.185 6.534 1.00 0.00 C ATOM 904 O ILE A 59 10.374 -7.358 5.388 1.00 0.00 O ATOM 905 CB ILE A 59 9.293 -5.267 7.093 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.238 -3.808 7.548 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.360 -6.125 7.935 1.00 0.00 C ATOM 908 CD1 ILE A 59 7.965 -3.096 7.143 1.00 0.00 C ATOM 0 H ILE A 59 11.267 -4.287 5.830 1.00 0.00 H new ATOM 0 HA ILE A 59 11.028 -5.879 8.226 1.00 0.00 H new ATOM 0 HB ILE A 59 8.964 -5.317 6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.336 -3.770 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.092 -3.274 7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.344 -5.735 7.864 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.381 -7.152 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.685 -6.103 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.995 -2.066 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.875 -3.102 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.107 -3.606 7.581 1.00 0.00 H new ATOM 920 N PRO A 60 11.307 -8.196 7.260 1.00 0.00 N ATOM 921 CA PRO A 60 11.408 -9.563 6.742 1.00 0.00 C ATOM 922 C PRO A 60 10.058 -10.271 6.699 1.00 0.00 C ATOM 923 O PRO A 60 9.741 -10.968 5.737 1.00 0.00 O ATOM 924 CB PRO A 60 12.337 -10.248 7.743 1.00 0.00 C ATOM 925 CG PRO A 60 12.116 -9.514 9.020 1.00 0.00 C ATOM 926 CD PRO A 60 11.830 -8.086 8.636 1.00 0.00 C ATOM 0 HA PRO A 60 11.771 -9.584 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.097 -11.306 7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.378 -10.187 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.283 -9.942 9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.994 -9.577 9.663 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.102 -7.628 9.306 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.730 -7.472 8.675 1.00 0.00 H new ATOM 934 N GLN A 61 9.265 -10.085 7.751 1.00 0.00 N ATOM 935 CA GLN A 61 7.948 -10.706 7.835 1.00 0.00 C ATOM 936 C GLN A 61 7.067 -10.280 6.665 1.00 0.00 C ATOM 937 O GLN A 61 7.243 -9.199 6.104 1.00 0.00 O ATOM 938 CB GLN A 61 7.271 -10.340 9.158 1.00 0.00 C ATOM 939 CG GLN A 61 8.107 -10.678 10.382 1.00 0.00 C ATOM 940 CD GLN A 61 8.894 -9.490 10.897 1.00 0.00 C ATOM 941 OE1 GLN A 61 8.549 -8.338 10.629 1.00 0.00 O ATOM 942 NE2 GLN A 61 9.959 -9.762 11.642 1.00 0.00 N ATOM 0 H GLN A 61 9.512 -9.510 8.556 1.00 0.00 H new ATOM 0 HA GLN A 61 8.082 -11.787 7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.052 -9.272 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.316 -10.862 9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.454 -11.047 11.173 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.796 -11.486 10.135 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.209 -10.731 11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.527 -9.002 12.017 1.00 0.00 H new ATOM 951 N ALA A 62 6.118 -11.137 6.303 1.00 0.00 N ATOM 952 CA ALA A 62 5.209 -10.849 5.201 1.00 0.00 C ATOM 953 C ALA A 62 4.009 -10.036 5.678 1.00 0.00 C ATOM 954 O ALA A 62 3.611 -9.065 5.035 1.00 0.00 O ATOM 955 CB ALA A 62 4.746 -12.144 4.548 1.00 0.00 C ATOM 0 H ALA A 62 5.959 -12.036 6.757 1.00 0.00 H new ATOM 0 HA ALA A 62 5.747 -10.254 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.067 -11.915 3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.610 -12.687 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.229 -12.758 5.285 1.00 0.00 H new ATOM 961 N GLU A 63 3.438 -10.441 6.807 1.00 0.00 N ATOM 962 CA GLU A 63 2.284 -9.749 7.369 1.00 0.00 C ATOM 963 C GLU A 63 2.623 -8.295 7.686 1.00 0.00 C ATOM 964 O GLU A 63 1.879 -7.382 7.328 1.00 0.00 O ATOM 965 CB GLU A 63 1.802 -10.465 8.635 1.00 0.00 C ATOM 966 CG GLU A 63 0.316 -10.786 8.621 1.00 0.00 C ATOM 967 CD GLU A 63 0.036 -12.228 8.246 1.00 0.00 C ATOM 968 OE1 GLU A 63 0.687 -12.736 7.309 1.00 0.00 O ATOM 969 OE2 GLU A 63 -0.835 -12.850 8.891 1.00 0.00 O ATOM 0 H GLU A 63 3.755 -11.244 7.350 1.00 0.00 H new ATOM 0 HA GLU A 63 1.485 -9.761 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.365 -11.391 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.023 -9.842 9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.106 -10.582 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.188 -10.126 7.915 1.00 0.00 H new ATOM 976 N ASP A 64 3.750 -8.090 8.359 1.00 0.00 N ATOM 977 CA ASP A 64 4.189 -6.748 8.724 1.00 0.00 C ATOM 978 C ASP A 64 4.511 -5.925 7.480 1.00 0.00 C ATOM 979 O ASP A 64 4.340 -4.705 7.469 1.00 0.00 O ATOM 980 CB ASP A 64 5.417 -6.819 9.634 1.00 0.00 C ATOM 981 CG ASP A 64 5.685 -5.509 10.347 1.00 0.00 C ATOM 982 OD1 ASP A 64 4.733 -4.941 10.922 1.00 0.00 O ATOM 983 OD2 ASP A 64 6.847 -5.050 10.330 1.00 0.00 O ATOM 0 H ASP A 64 4.376 -8.836 8.663 1.00 0.00 H new ATOM 0 HA ASP A 64 3.376 -6.260 9.261 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.274 -7.608 10.372 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.290 -7.092 9.041 1.00 0.00 H new ATOM 988 N LYS A 65 4.976 -6.600 6.433 1.00 0.00 N ATOM 989 CA LYS A 65 5.321 -5.932 5.185 1.00 0.00 C ATOM 990 C LYS A 65 4.108 -5.218 4.596 1.00 0.00 C ATOM 991 O LYS A 65 4.216 -4.099 4.094 1.00 0.00 O ATOM 992 CB LYS A 65 5.874 -6.943 4.178 1.00 0.00 C ATOM 993 CG LYS A 65 7.152 -6.483 3.494 1.00 0.00 C ATOM 994 CD LYS A 65 7.906 -7.652 2.880 1.00 0.00 C ATOM 995 CE LYS A 65 9.199 -7.197 2.224 1.00 0.00 C ATOM 996 NZ LYS A 65 8.977 -6.716 0.833 1.00 0.00 N ATOM 0 H LYS A 65 5.122 -7.609 6.425 1.00 0.00 H new ATOM 0 HA LYS A 65 6.088 -5.187 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.065 -7.886 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.116 -7.140 3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.910 -5.757 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.791 -5.976 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.128 -8.389 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.275 -8.145 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.646 -6.399 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.911 -8.023 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.883 -6.415 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.575 -7.485 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.318 -5.912 0.845 1.00 0.00 H new ATOM 1010 N LEU A 66 2.953 -5.873 4.662 1.00 0.00 N ATOM 1011 CA LEU A 66 1.719 -5.301 4.135 1.00 0.00 C ATOM 1012 C LEU A 66 1.347 -4.026 4.886 1.00 0.00 C ATOM 1013 O LEU A 66 0.765 -3.105 4.314 1.00 0.00 O ATOM 1014 CB LEU A 66 0.579 -6.317 4.236 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.668 -5.974 3.418 1.00 0.00 C ATOM 1016 CD1 LEU A 66 -0.331 -5.894 1.938 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.763 -7.001 3.663 1.00 0.00 C ATOM 0 H LEU A 66 2.846 -6.800 5.075 1.00 0.00 H new ATOM 0 HA LEU A 66 1.882 -5.050 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.950 -7.290 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.292 -6.416 5.283 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.033 -4.998 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.230 -5.649 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.420 -5.121 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.059 -6.855 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.643 -6.742 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.408 -7.989 3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.024 -7.009 4.721 1.00 0.00 H new ATOM 1029 N ASP A 67 1.688 -3.981 6.170 1.00 0.00 N ATOM 1030 CA ASP A 67 1.390 -2.819 6.999 1.00 0.00 C ATOM 1031 C ASP A 67 2.188 -1.603 6.539 1.00 0.00 C ATOM 1032 O ASP A 67 1.730 -0.467 6.654 1.00 0.00 O ATOM 1033 CB ASP A 67 1.698 -3.123 8.468 1.00 0.00 C ATOM 1034 CG ASP A 67 0.524 -2.820 9.379 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -0.022 -1.701 9.292 1.00 0.00 O ATOM 1036 OD2 ASP A 67 0.151 -3.704 10.179 1.00 0.00 O ATOM 0 H ASP A 67 2.171 -4.735 6.658 1.00 0.00 H new ATOM 0 HA ASP A 67 0.329 -2.592 6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.972 -4.173 8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.561 -2.537 8.784 1.00 0.00 H new ATOM 1041 N ARG A 68 3.385 -1.851 6.016 1.00 0.00 N ATOM 1042 CA ARG A 68 4.248 -0.777 5.537 1.00 0.00 C ATOM 1043 C ARG A 68 3.785 -0.275 4.173 1.00 0.00 C ATOM 1044 O ARG A 68 3.843 0.922 3.888 1.00 0.00 O ATOM 1045 CB ARG A 68 5.697 -1.260 5.449 1.00 0.00 C ATOM 1046 CG ARG A 68 6.719 -0.142 5.581 1.00 0.00 C ATOM 1047 CD ARG A 68 7.231 -0.016 7.008 1.00 0.00 C ATOM 1048 NE ARG A 68 6.889 1.275 7.600 1.00 0.00 N ATOM 1049 CZ ARG A 68 6.895 1.515 8.908 1.00 0.00 C ATOM 1050 NH1 ARG A 68 7.226 0.557 9.765 1.00 0.00 N ATOM 1051 NH2 ARG A 68 6.571 2.718 9.362 1.00 0.00 N ATOM 0 H ARG A 68 3.779 -2.786 5.913 1.00 0.00 H new ATOM 0 HA ARG A 68 4.189 0.047 6.248 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.874 -1.997 6.232 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.845 -1.766 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.556 -0.332 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.269 0.801 5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.810 -0.817 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.313 -0.144 7.017 1.00 0.00 H new ATOM 0 HE ARG A 68 6.630 2.037 6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.478 -0.370 9.422 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.229 0.748 10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.317 3.459 8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.575 2.903 10.365 1.00 0.00 H new ATOM 1065 N LEU A 69 3.325 -1.197 3.333 1.00 0.00 N ATOM 1066 CA LEU A 69 2.852 -0.849 1.999 1.00 0.00 C ATOM 1067 C LEU A 69 1.689 0.137 2.072 1.00 0.00 C ATOM 1068 O LEU A 69 1.510 0.967 1.182 1.00 0.00 O ATOM 1069 CB LEU A 69 2.419 -2.108 1.244 1.00 0.00 C ATOM 1070 CG LEU A 69 2.334 -1.956 -0.276 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.720 -1.759 -0.870 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.655 -3.168 -0.895 1.00 0.00 C ATOM 0 H LEU A 69 3.270 -2.191 3.553 1.00 0.00 H new ATOM 0 HA LEU A 69 3.674 -0.375 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.120 -2.910 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.444 -2.420 1.618 1.00 0.00 H new ATOM 0 HG LEU A 69 1.735 -1.074 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.640 -1.653 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.172 -0.861 -0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.343 -2.622 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.603 -3.043 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.228 -4.065 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.647 -3.266 -0.492 1.00 0.00 H new ATOM 1084 N PHE A 70 0.902 0.039 3.137 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.243 0.921 3.327 1.00 0.00 C ATOM 1086 C PHE A 70 0.195 2.273 3.881 1.00 0.00 C ATOM 1087 O PHE A 70 -0.444 3.295 3.628 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.259 0.276 4.270 1.00 0.00 C ATOM 1089 CG PHE A 70 -2.100 -0.783 3.615 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.505 -1.826 2.922 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.482 -0.735 3.692 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.276 -2.802 2.318 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -4.258 -1.708 3.091 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.654 -2.743 2.403 1.00 0.00 C ATOM 0 H PHE A 70 1.036 -0.643 3.883 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.710 1.082 2.355 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.730 -0.164 5.115 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.913 1.051 4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.428 -1.877 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.959 0.072 4.228 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.802 -3.610 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.335 -1.659 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.258 -3.505 1.932 1.00 0.00 H new ATOM 1104 N GLU A 71 1.286 2.273 4.640 1.00 0.00 N ATOM 1105 CA GLU A 71 1.808 3.500 5.231 1.00 0.00 C ATOM 1106 C GLU A 71 2.364 4.432 4.159 1.00 0.00 C ATOM 1107 O GLU A 71 2.269 5.654 4.275 1.00 0.00 O ATOM 1108 CB GLU A 71 2.896 3.173 6.256 1.00 0.00 C ATOM 1109 CG GLU A 71 2.775 3.966 7.547 1.00 0.00 C ATOM 1110 CD GLU A 71 3.670 5.190 7.565 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.813 5.837 6.506 1.00 0.00 O ATOM 1112 OE2 GLU A 71 4.228 5.501 8.638 1.00 0.00 O ATOM 0 H GLU A 71 1.826 1.436 4.860 1.00 0.00 H new ATOM 0 HA GLU A 71 0.985 4.009 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.856 2.109 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.872 3.366 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.739 4.276 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.028 3.323 8.390 1.00 0.00 H new ATOM 1119 N ILE A 72 2.946 3.849 3.116 1.00 0.00 N ATOM 1120 CA ILE A 72 3.517 4.629 2.025 1.00 0.00 C ATOM 1121 C ILE A 72 2.437 5.106 1.061 1.00 0.00 C ATOM 1122 O ILE A 72 2.321 6.299 0.785 1.00 0.00 O ATOM 1123 CB ILE A 72 4.566 3.816 1.242 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.565 3.170 2.204 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.288 4.705 0.241 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.582 2.286 1.516 1.00 0.00 C ATOM 0 H ILE A 72 3.034 2.839 3.004 1.00 0.00 H new ATOM 0 HA ILE A 72 4.001 5.494 2.478 1.00 0.00 H new ATOM 0 HB ILE A 72 4.054 3.026 0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.088 3.954 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.019 2.578 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.025 4.115 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.567 5.122 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.790 5.515 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.257 1.862 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.068 1.481 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.154 2.878 0.801 1.00 0.00 H new ATOM 1138 N ILE A 73 1.649 4.165 0.551 1.00 0.00 N ATOM 1139 CA ILE A 73 0.578 4.490 -0.385 1.00 0.00 C ATOM 1140 C ILE A 73 -0.513 5.313 0.294 1.00 0.00 C ATOM 1141 O ILE A 73 -1.162 6.145 -0.339 1.00 0.00 O ATOM 1142 CB ILE A 73 -0.050 3.217 -0.985 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.038 2.304 -1.554 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -1.061 3.579 -2.065 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.830 2.935 -2.679 1.00 0.00 C ATOM 0 H ILE A 73 1.732 3.172 0.770 1.00 0.00 H new ATOM 0 HA ILE A 73 1.025 5.077 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.572 2.681 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.721 2.023 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.577 1.385 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.494 2.668 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.851 4.193 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.562 4.135 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.583 2.231 -3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.158 3.190 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.320 3.839 -2.317 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.710 5.074 1.586 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.725 5.800 2.329 1.00 0.00 C ATOM 1159 C GLY A 74 -1.501 7.300 2.308 1.00 0.00 C ATOM 1160 O GLY A 74 -2.446 8.076 2.449 1.00 0.00 O ATOM 0 H GLY A 74 -0.185 4.391 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.706 5.577 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.733 5.452 3.362 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.249 7.710 2.132 1.00 0.00 N ATOM 1165 CA VAL A 75 0.094 9.127 2.095 1.00 0.00 C ATOM 1166 C VAL A 75 0.313 9.610 0.665 1.00 0.00 C ATOM 1167 O VAL A 75 0.229 10.806 0.385 1.00 0.00 O ATOM 1168 CB VAL A 75 1.360 9.419 2.922 1.00 0.00 C ATOM 1169 CG1 VAL A 75 1.592 10.919 3.033 1.00 0.00 C ATOM 1170 CG2 VAL A 75 1.255 8.786 4.302 1.00 0.00 C ATOM 0 H VAL A 75 0.545 7.081 2.013 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.750 9.664 2.528 1.00 0.00 H new ATOM 0 HB VAL A 75 2.215 8.979 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.491 11.106 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.716 11.343 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.736 11.384 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.159 9.003 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.390 9.194 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.141 7.707 4.200 1.00 0.00 H new ATOM 1180 N LYS A 76 0.595 8.676 -0.241 1.00 0.00 N ATOM 1181 CA LYS A 76 0.827 9.013 -1.642 1.00 0.00 C ATOM 1182 C LYS A 76 -0.343 9.806 -2.217 1.00 0.00 C ATOM 1183 O LYS A 76 -0.217 10.996 -2.505 1.00 0.00 O ATOM 1184 CB LYS A 76 1.051 7.741 -2.463 1.00 0.00 C ATOM 1185 CG LYS A 76 2.148 7.876 -3.506 1.00 0.00 C ATOM 1186 CD LYS A 76 2.466 6.540 -4.158 1.00 0.00 C ATOM 1187 CE LYS A 76 3.723 5.918 -3.572 1.00 0.00 C ATOM 1188 NZ LYS A 76 4.953 6.405 -4.256 1.00 0.00 N ATOM 0 H LYS A 76 0.668 7.681 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 76 1.721 9.635 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.301 6.922 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.119 7.471 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.839 8.590 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.048 8.277 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.625 5.859 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.594 6.679 -5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.782 6.151 -2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.665 4.833 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.789 5.958 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.909 6.160 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.022 7.438 -4.153 1.00 0.00 H new ATOM 1202 N SER A 77 -1.482 9.139 -2.382 1.00 0.00 N ATOM 1203 CA SER A 77 -2.673 9.782 -2.924 1.00 0.00 C ATOM 1204 C SER A 77 -3.845 8.808 -2.970 1.00 0.00 C ATOM 1205 O SER A 77 -3.775 7.710 -2.415 1.00 0.00 O ATOM 1206 CB SER A 77 -2.392 10.326 -4.326 1.00 0.00 C ATOM 1207 OG SER A 77 -3.179 11.473 -4.595 1.00 0.00 O ATOM 0 H SER A 77 -1.604 8.154 -2.148 1.00 0.00 H new ATOM 0 HA SER A 77 -2.938 10.610 -2.267 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.335 10.577 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.602 9.555 -5.067 1.00 0.00 H new ATOM 0 HG SER A 77 -2.980 11.802 -5.496 1.00 0.00 H new ATOM 1213 N GLN A 78 -4.921 9.215 -3.635 1.00 0.00 N ATOM 1214 CA GLN A 78 -6.109 8.378 -3.754 1.00 0.00 C ATOM 1215 C GLN A 78 -6.001 7.449 -4.959 1.00 0.00 C ATOM 1216 O GLN A 78 -6.530 6.338 -4.949 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.362 9.246 -3.875 1.00 0.00 C ATOM 1218 CG GLN A 78 -7.396 10.095 -5.136 1.00 0.00 C ATOM 1219 CD GLN A 78 -8.243 11.342 -4.977 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -9.379 11.399 -5.447 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -7.692 12.350 -4.310 1.00 0.00 N ATOM 0 H GLN A 78 -4.995 10.120 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.185 7.769 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.242 8.603 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.426 9.900 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.379 10.383 -5.403 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.786 9.498 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.747 12.259 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.214 13.215 -4.170 1.00 0.00 H new ATOM 1230 N GLU A 79 -5.310 7.912 -5.995 1.00 0.00 N ATOM 1231 CA GLU A 79 -5.130 7.127 -7.208 1.00 0.00 C ATOM 1232 C GLU A 79 -4.411 5.816 -6.907 1.00 0.00 C ATOM 1233 O GLU A 79 -4.652 4.800 -7.559 1.00 0.00 O ATOM 1234 CB GLU A 79 -4.342 7.932 -8.241 1.00 0.00 C ATOM 1235 CG GLU A 79 -4.792 9.379 -8.361 1.00 0.00 C ATOM 1236 CD GLU A 79 -4.799 9.869 -9.796 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -5.773 9.575 -10.520 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -3.829 10.547 -10.197 1.00 0.00 O ATOM 0 H GLU A 79 -4.865 8.829 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.115 6.892 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.285 7.910 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.437 7.449 -9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.793 9.481 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.132 10.012 -7.768 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.525 5.848 -5.916 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.770 4.662 -5.529 1.00 0.00 C ATOM 1247 C ALA A 80 -3.427 3.953 -4.350 1.00 0.00 C ATOM 1248 O ALA A 80 -3.385 2.727 -4.249 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.336 5.040 -5.188 1.00 0.00 C ATOM 0 H ALA A 80 -3.313 6.681 -5.367 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.763 3.973 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.783 4.146 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.863 5.495 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.334 5.750 -4.361 1.00 0.00 H new ATOM 1255 N SER A 81 -4.034 4.731 -3.461 1.00 0.00 N ATOM 1256 CA SER A 81 -4.700 4.177 -2.289 1.00 0.00 C ATOM 1257 C SER A 81 -5.847 3.258 -2.699 1.00 0.00 C ATOM 1258 O SER A 81 -5.977 2.146 -2.187 1.00 0.00 O ATOM 1259 CB SER A 81 -5.228 5.301 -1.396 1.00 0.00 C ATOM 1260 OG SER A 81 -6.140 4.803 -0.433 1.00 0.00 O ATOM 0 H SER A 81 -4.078 5.748 -3.530 1.00 0.00 H new ATOM 0 HA SER A 81 -3.969 3.592 -1.731 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.395 5.791 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.719 6.057 -2.009 1.00 0.00 H new ATOM 0 HG SER A 81 -6.884 5.432 -0.331 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.676 3.732 -3.623 1.00 0.00 N ATOM 1267 CA GLN A 82 -7.812 2.952 -4.102 1.00 0.00 C ATOM 1268 C GLN A 82 -7.348 1.643 -4.731 1.00 0.00 C ATOM 1269 O GLN A 82 -8.049 0.632 -4.674 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.619 3.761 -5.118 1.00 0.00 C ATOM 1271 CG GLN A 82 -10.113 3.478 -5.074 1.00 0.00 C ATOM 1272 CD GLN A 82 -10.725 3.791 -3.723 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -11.029 4.944 -3.418 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.906 2.762 -2.903 1.00 0.00 N ATOM 0 H GLN A 82 -6.583 4.651 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.446 2.718 -3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.454 4.823 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.246 3.546 -6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.614 4.068 -5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.288 2.429 -5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.639 1.822 -3.197 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.312 2.911 -1.979 1.00 0.00 H new ATOM 1283 N THR A 83 -6.162 1.667 -5.330 1.00 0.00 N ATOM 1284 CA THR A 83 -5.604 0.481 -5.970 1.00 0.00 C ATOM 1285 C THR A 83 -5.137 -0.531 -4.928 1.00 0.00 C ATOM 1286 O THR A 83 -5.259 -1.740 -5.124 1.00 0.00 O ATOM 1287 CB THR A 83 -4.438 0.868 -6.880 1.00 0.00 C ATOM 1288 OG1 THR A 83 -4.845 1.832 -7.834 1.00 0.00 O ATOM 1289 CG2 THR A 83 -3.853 -0.306 -7.635 1.00 0.00 C ATOM 0 H THR A 83 -5.569 2.495 -5.386 1.00 0.00 H new ATOM 0 HA THR A 83 -6.388 0.021 -6.571 1.00 0.00 H new ATOM 0 HB THR A 83 -3.673 1.269 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.669 2.731 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.030 0.038 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.484 -1.047 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.623 -0.756 -8.262 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.602 -0.028 -3.820 1.00 0.00 N ATOM 1298 CA LEU A 84 -4.117 -0.888 -2.747 1.00 0.00 C ATOM 1299 C LEU A 84 -5.275 -1.588 -2.044 1.00 0.00 C ATOM 1300 O LEU A 84 -5.308 -2.816 -1.953 1.00 0.00 O ATOM 1301 CB LEU A 84 -3.309 -0.069 -1.736 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.837 -0.842 -0.502 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -2.094 -2.107 -0.912 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -1.956 0.040 0.371 1.00 0.00 C ATOM 0 H LEU A 84 -4.493 0.970 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.472 -1.648 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.437 0.345 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.916 0.774 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.713 -1.135 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.767 -2.642 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.757 -2.746 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.225 -1.840 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.628 -0.524 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.085 0.363 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.522 0.913 0.695 1.00 0.00 H new ATOM 1316 N LEU A 85 -6.224 -0.801 -1.550 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.384 -1.346 -0.855 1.00 0.00 C ATOM 1318 C LEU A 85 -8.182 -2.274 -1.767 1.00 0.00 C ATOM 1319 O LEU A 85 -8.806 -3.228 -1.306 1.00 0.00 O ATOM 1320 CB LEU A 85 -8.281 -0.213 -0.350 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.666 0.661 0.743 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.511 1.906 0.967 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.521 -0.127 2.036 1.00 0.00 C ATOM 0 H LEU A 85 -6.213 0.217 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.026 -1.925 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.548 0.422 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.207 -0.645 0.030 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.674 0.973 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.059 2.517 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.564 2.481 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.516 1.614 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.082 0.510 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.502 -0.468 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.875 -0.989 1.867 1.00 0.00 H new ATOM 1335 N ASP A 86 -8.156 -1.986 -3.064 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.877 -2.794 -4.041 1.00 0.00 C ATOM 1337 C ASP A 86 -8.042 -3.995 -4.476 1.00 0.00 C ATOM 1338 O ASP A 86 -8.576 -5.072 -4.738 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.248 -1.947 -5.259 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.208 -2.664 -6.190 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -9.850 -3.751 -6.689 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -11.317 -2.138 -6.418 1.00 0.00 O ATOM 0 H ASP A 86 -7.644 -1.199 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.790 -3.160 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.699 -1.013 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.342 -1.686 -5.806 1.00 0.00 H new ATOM 1347 N SER A 87 -6.730 -3.800 -4.553 1.00 0.00 N ATOM 1348 CA SER A 87 -5.821 -4.867 -4.959 1.00 0.00 C ATOM 1349 C SER A 87 -5.887 -6.038 -3.985 1.00 0.00 C ATOM 1350 O SER A 87 -5.874 -7.199 -4.394 1.00 0.00 O ATOM 1351 CB SER A 87 -4.388 -4.339 -5.044 1.00 0.00 C ATOM 1352 OG SER A 87 -3.468 -5.394 -5.263 1.00 0.00 O ATOM 0 H SER A 87 -6.272 -2.914 -4.340 1.00 0.00 H new ATOM 0 HA SER A 87 -6.130 -5.219 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.312 -3.612 -5.853 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.134 -3.817 -4.122 1.00 0.00 H new ATOM 0 HG SER A 87 -2.559 -5.030 -5.315 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.956 -5.726 -2.695 1.00 0.00 N ATOM 1359 CA VAL A 88 -6.022 -6.754 -1.663 1.00 0.00 C ATOM 1360 C VAL A 88 -7.249 -7.641 -1.848 1.00 0.00 C ATOM 1361 O VAL A 88 -7.216 -8.834 -1.551 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.059 -6.133 -0.252 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -5.978 -7.217 0.813 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -4.933 -5.124 -0.083 1.00 0.00 C ATOM 0 H VAL A 88 -5.968 -4.770 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.121 -7.359 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.007 -5.609 -0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.006 -6.759 1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.823 -7.897 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.048 -7.773 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.975 -4.696 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.974 -5.622 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.042 -4.330 -0.822 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.332 -7.049 -2.341 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.570 -7.785 -2.565 1.00 0.00 C ATOM 1376 C TYR A 89 -9.629 -8.334 -3.987 1.00 0.00 C ATOM 1377 O TYR A 89 -10.227 -9.381 -4.235 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.779 -6.885 -2.303 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.927 -6.477 -0.854 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.841 -7.418 0.165 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -11.154 -5.151 -0.505 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.978 -7.049 1.490 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -11.291 -4.775 0.817 1.00 0.00 C ATOM 1384 CZ TYR A 89 -11.202 -5.727 1.811 1.00 0.00 C ATOM 1385 OH TYR A 89 -11.338 -5.357 3.129 1.00 0.00 O ATOM 0 H TYR A 89 -8.377 -6.062 -2.593 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.593 -8.624 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.694 -5.989 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.683 -7.404 -2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -10.664 -8.454 -0.082 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -11.224 -4.402 -1.280 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.910 -7.793 2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.467 -3.740 1.071 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.490 -4.390 3.183 1.00 0.00 H new ATOM 1395 N SER A 90 -9.004 -7.620 -4.918 1.00 0.00 N ATOM 1396 CA SER A 90 -8.987 -8.036 -6.315 1.00 0.00 C ATOM 1397 C SER A 90 -8.018 -9.196 -6.527 1.00 0.00 C ATOM 1398 O SER A 90 -8.232 -10.046 -7.391 1.00 0.00 O ATOM 1399 CB SER A 90 -8.597 -6.861 -7.214 1.00 0.00 C ATOM 1400 OG SER A 90 -8.634 -7.231 -8.581 1.00 0.00 O ATOM 0 H SER A 90 -8.503 -6.751 -4.730 1.00 0.00 H new ATOM 0 HA SER A 90 -9.990 -8.371 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.276 -6.026 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.596 -6.517 -6.954 1.00 0.00 H new ATOM 0 HG SER A 90 -8.382 -6.463 -9.135 1.00 0.00 H new ATOM 1406 N HIS A 91 -6.954 -9.225 -5.731 1.00 0.00 N ATOM 1407 CA HIS A 91 -5.953 -10.281 -5.832 1.00 0.00 C ATOM 1408 C HIS A 91 -6.301 -11.450 -4.915 1.00 0.00 C ATOM 1409 O HIS A 91 -6.058 -12.608 -5.252 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.568 -9.736 -5.481 1.00 0.00 C ATOM 1411 CG HIS A 91 -3.918 -8.987 -6.602 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -4.126 -9.267 -7.934 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.047 -7.947 -6.570 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -3.393 -8.408 -8.655 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -2.719 -7.585 -7.874 1.00 0.00 N ATOM 0 H HIS A 91 -6.763 -8.530 -5.009 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.943 -10.640 -6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.654 -9.077 -4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -3.924 -10.565 -5.187 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.731 -9.999 -8.306 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.668 -7.475 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.358 -8.391 -9.734 1.00 0.00 H new ATOM 1423 N LEU A 92 -6.870 -11.137 -3.756 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.251 -12.162 -2.790 1.00 0.00 C ATOM 1425 C LEU A 92 -8.762 -12.169 -2.572 1.00 0.00 C ATOM 1426 O LEU A 92 -9.257 -11.642 -1.576 1.00 0.00 O ATOM 1427 CB LEU A 92 -6.532 -11.928 -1.459 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.006 -11.868 -1.549 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -4.420 -11.272 -0.280 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -4.435 -13.255 -1.802 1.00 0.00 C ATOM 0 H LEU A 92 -7.078 -10.183 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.956 -13.132 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.892 -10.994 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.809 -12.725 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.734 -11.225 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.334 -11.237 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.806 -10.262 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.700 -11.888 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.348 -13.195 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.716 -13.919 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.831 -13.646 -2.739 1.00 0.00 H new ATOM 1442 N PRO A 93 -9.518 -12.773 -3.506 1.00 0.00 N ATOM 1443 CA PRO A 93 -10.979 -12.848 -3.411 1.00 0.00 C ATOM 1444 C PRO A 93 -11.442 -13.793 -2.308 1.00 0.00 C ATOM 1445 O PRO A 93 -12.536 -13.642 -1.766 1.00 0.00 O ATOM 1446 CB PRO A 93 -11.397 -13.382 -4.784 1.00 0.00 C ATOM 1447 CG PRO A 93 -10.213 -14.144 -5.268 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.007 -13.427 -4.726 1.00 0.00 C ATOM 0 HA PRO A 93 -11.421 -11.883 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.276 -14.022 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.651 -12.569 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.243 -15.176 -4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.190 -14.178 -6.357 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.195 -14.119 -4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.618 -12.700 -5.439 1.00 0.00 H new ATOM 1456 N ASP A 94 -10.601 -14.769 -1.979 1.00 0.00 N ATOM 1457 CA ASP A 94 -10.924 -15.740 -0.939 1.00 0.00 C ATOM 1458 C ASP A 94 -11.182 -15.045 0.395 1.00 0.00 C ATOM 1459 O ASP A 94 -11.974 -15.520 1.209 1.00 0.00 O ATOM 1460 CB ASP A 94 -9.789 -16.753 -0.788 1.00 0.00 C ATOM 1461 CG ASP A 94 -9.870 -17.869 -1.813 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -10.947 -18.491 -1.930 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -8.856 -18.119 -2.498 1.00 0.00 O ATOM 0 H ASP A 94 -9.691 -14.908 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.832 -16.264 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.832 -16.240 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.818 -17.181 0.214 1.00 0.00 H new ATOM 1468 N LEU A 95 -10.509 -13.921 0.610 1.00 0.00 N ATOM 1469 CA LEU A 95 -10.666 -13.162 1.846 1.00 0.00 C ATOM 1470 C LEU A 95 -12.112 -12.710 2.027 1.00 0.00 C ATOM 1471 O LEU A 95 -12.610 -12.622 3.149 1.00 0.00 O ATOM 1472 CB LEU A 95 -9.735 -11.947 1.846 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.263 -12.260 1.575 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.466 -10.976 1.409 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -7.685 -13.107 2.699 1.00 0.00 C ATOM 0 H LEU A 95 -9.850 -13.515 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.401 -13.813 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.085 -11.240 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.813 -11.449 2.812 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.196 -12.827 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.421 -11.219 1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.866 -10.405 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.539 -10.382 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.637 -13.321 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.765 -12.565 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.239 -14.043 2.771 1.00 0.00 H new