USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 28 SER OG : rot 180:sc= -1.34 USER MOD Single : A 29 THR OG1 : rot 95:sc= 0.227 USER MOD Single : A 31 THR OG1 : rot 85:sc= 0.956 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -2.1 F(o=-3.1!,f=-2.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.661 K(o=0.66,f=0) USER MOD Single : A 65 ASN : amide:sc= -7.12! C(o=-7.1!,f=-8.3!) USER MOD Single : A 68 THR OG1 : rot -83:sc= -0.0716 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000542 USER MOD Single : A 80 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-14!) USER MOD Single : A 82 ASN :FLIP amide:sc= -5.27! C(o=-6.8!,f=-5.3!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 -0.091 12.768 2.620 1.00 0.00 N ATOM 201 CA ARG A 14 -0.414 11.587 1.837 1.00 0.00 C ATOM 202 C ARG A 14 0.406 10.389 2.321 1.00 0.00 C ATOM 203 O ARG A 14 -0.154 9.381 2.750 1.00 0.00 O ATOM 204 CB ARG A 14 -0.137 11.819 0.351 1.00 0.00 C ATOM 205 CG ARG A 14 -1.301 11.321 -0.508 1.00 0.00 C ATOM 206 CD ARG A 14 -1.348 12.059 -1.848 1.00 0.00 C ATOM 207 NE ARG A 14 -1.772 13.462 -1.639 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.597 14.448 -2.544 1.00 0.00 C ATOM 209 NH1 ARG A 14 -1.005 14.193 -3.730 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.014 15.666 -2.252 1.00 0.00 N ATOM 0 HA ARG A 14 -1.476 11.382 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.025 12.881 0.169 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.779 11.303 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.197 10.250 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.240 11.468 0.025 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.366 12.034 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.041 11.558 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.225 13.698 -0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.686 13.249 -3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.877 14.944 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.461 15.850 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.889 16.423 -2.925 1.00 0.00 H new ATOM 223 N ALA A 15 1.720 10.539 2.236 1.00 0.00 N ATOM 224 CA ALA A 15 2.622 9.482 2.660 1.00 0.00 C ATOM 225 C ALA A 15 2.100 8.860 3.957 1.00 0.00 C ATOM 226 O ALA A 15 1.577 7.747 3.949 1.00 0.00 O ATOM 227 CB ALA A 15 4.035 10.048 2.814 1.00 0.00 C ATOM 0 H ALA A 15 2.181 11.376 1.880 1.00 0.00 H new ATOM 0 HA ALA A 15 2.666 8.692 1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.712 9.255 3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.372 10.451 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.030 10.842 3.561 1.00 0.00 H new ATOM 233 N GLU A 16 2.259 9.607 5.040 1.00 0.00 N ATOM 234 CA GLU A 16 1.809 9.143 6.341 1.00 0.00 C ATOM 235 C GLU A 16 0.431 8.488 6.225 1.00 0.00 C ATOM 236 O GLU A 16 0.179 7.451 6.836 1.00 0.00 O ATOM 237 CB GLU A 16 1.787 10.289 7.355 1.00 0.00 C ATOM 238 CG GLU A 16 1.649 9.757 8.782 1.00 0.00 C ATOM 239 CD GLU A 16 2.724 8.709 9.083 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.413 7.645 9.639 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.917 9.032 8.716 1.00 0.00 O ATOM 0 H GLU A 16 2.693 10.530 5.043 1.00 0.00 H new ATOM 0 HA GLU A 16 2.516 8.395 6.702 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.703 10.873 7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.958 10.961 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.731 10.581 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.660 9.318 8.916 1.00 0.00 H new ATOM 249 N ARG A 17 -0.425 9.122 5.436 1.00 0.00 N ATOM 250 CA ARG A 17 -1.771 8.613 5.231 1.00 0.00 C ATOM 251 C ARG A 17 -1.722 7.215 4.612 1.00 0.00 C ATOM 252 O ARG A 17 -2.355 6.288 5.114 1.00 0.00 O ATOM 253 CB ARG A 17 -2.576 9.540 4.319 1.00 0.00 C ATOM 254 CG ARG A 17 -3.878 9.977 4.993 1.00 0.00 C ATOM 255 CD ARG A 17 -4.981 8.937 4.784 1.00 0.00 C ATOM 256 NE ARG A 17 -5.516 8.496 6.091 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.532 9.105 6.737 1.00 0.00 C ATOM 258 NH1 ARG A 17 -7.134 10.189 6.201 1.00 0.00 N ATOM 259 NH2 ARG A 17 -6.929 8.626 7.901 1.00 0.00 N ATOM 0 H ARG A 17 -0.213 9.983 4.932 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.260 8.565 6.204 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.980 10.417 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.801 9.029 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.708 10.122 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.197 10.937 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.782 9.361 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.586 8.081 4.236 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.090 7.680 6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.821 10.553 5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.901 10.643 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.469 7.807 8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.696 9.075 8.402 1.00 0.00 H new ATOM 272 N THR A 18 -0.964 7.108 3.530 1.00 0.00 N ATOM 273 CA THR A 18 -0.825 5.839 2.837 1.00 0.00 C ATOM 274 C THR A 18 -0.133 4.813 3.737 1.00 0.00 C ATOM 275 O THR A 18 -0.570 3.667 3.829 1.00 0.00 O ATOM 276 CB THR A 18 -0.081 6.096 1.525 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.046 6.742 0.699 1.00 0.00 O ATOM 278 CG2 THR A 18 0.247 4.804 0.775 1.00 0.00 C ATOM 0 H THR A 18 -0.440 7.879 3.117 1.00 0.00 H new ATOM 0 HA THR A 18 -1.798 5.411 2.597 1.00 0.00 H new ATOM 0 HB THR A 18 0.841 6.639 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.647 6.946 -0.172 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.775 5.043 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.877 4.171 1.399 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.677 4.276 0.539 1.00 0.00 H new ATOM 286 N ALA A 19 0.936 5.262 4.379 1.00 0.00 N ATOM 287 CA ALA A 19 1.693 4.397 5.268 1.00 0.00 C ATOM 288 C ALA A 19 0.839 4.059 6.492 1.00 0.00 C ATOM 289 O ALA A 19 1.061 3.041 7.146 1.00 0.00 O ATOM 290 CB ALA A 19 3.008 5.080 5.647 1.00 0.00 C ATOM 0 H ALA A 19 1.296 6.213 4.301 1.00 0.00 H new ATOM 0 HA ALA A 19 1.943 3.460 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.576 4.431 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.590 5.273 4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.796 6.023 6.151 1.00 0.00 H new ATOM 296 N GLU A 20 -0.121 4.931 6.764 1.00 0.00 N ATOM 297 CA GLU A 20 -1.009 4.737 7.897 1.00 0.00 C ATOM 298 C GLU A 20 -2.117 3.744 7.539 1.00 0.00 C ATOM 299 O GLU A 20 -2.388 2.812 8.295 1.00 0.00 O ATOM 300 CB GLU A 20 -1.598 6.069 8.366 1.00 0.00 C ATOM 301 CG GLU A 20 -2.574 5.859 9.525 1.00 0.00 C ATOM 302 CD GLU A 20 -2.435 6.970 10.568 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.326 7.219 11.064 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.531 7.585 10.860 1.00 0.00 O ATOM 0 H GLU A 20 -0.303 5.774 6.219 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.429 4.323 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.795 6.736 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.112 6.556 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.596 5.838 9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.387 4.892 9.992 1.00 0.00 H new ATOM 312 N LEU A 21 -2.727 3.977 6.386 1.00 0.00 N ATOM 313 CA LEU A 21 -3.799 3.115 5.919 1.00 0.00 C ATOM 314 C LEU A 21 -3.251 1.705 5.690 1.00 0.00 C ATOM 315 O LEU A 21 -3.745 0.741 6.272 1.00 0.00 O ATOM 316 CB LEU A 21 -4.475 3.720 4.687 1.00 0.00 C ATOM 317 CG LEU A 21 -5.836 4.378 4.924 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.996 5.631 4.060 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.974 3.380 4.703 1.00 0.00 C ATOM 0 H LEU A 21 -2.499 4.751 5.761 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.580 3.035 6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.804 4.464 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.598 2.934 3.942 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.885 4.696 5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.972 6.080 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.213 6.347 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.917 5.360 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.930 3.874 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.939 3.009 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.865 2.545 5.395 1.00 0.00 H new ATOM 331 N VAL A 22 -2.236 1.630 4.841 1.00 0.00 N ATOM 332 CA VAL A 22 -1.615 0.355 4.528 1.00 0.00 C ATOM 333 C VAL A 22 -1.507 -0.482 5.805 1.00 0.00 C ATOM 334 O VAL A 22 -2.024 -1.596 5.866 1.00 0.00 O ATOM 335 CB VAL A 22 -0.265 0.583 3.847 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.652 -0.629 4.025 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.448 0.919 2.365 1.00 0.00 C ATOM 0 H VAL A 22 -1.829 2.432 4.360 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.229 -0.205 3.823 1.00 0.00 H new ATOM 0 HB VAL A 22 0.212 1.437 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.605 -0.440 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.822 -0.804 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.183 -1.508 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.527 1.076 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.957 0.095 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.045 1.826 2.269 1.00 0.00 H new ATOM 347 N ARG A 23 -0.831 0.088 6.792 1.00 0.00 N ATOM 348 CA ARG A 23 -0.648 -0.592 8.063 1.00 0.00 C ATOM 349 C ARG A 23 -2.005 -0.966 8.665 1.00 0.00 C ATOM 350 O ARG A 23 -2.154 -2.038 9.248 1.00 0.00 O ATOM 351 CB ARG A 23 0.116 0.289 9.054 1.00 0.00 C ATOM 352 CG ARG A 23 1.011 -0.556 9.962 1.00 0.00 C ATOM 353 CD ARG A 23 1.548 0.275 11.129 1.00 0.00 C ATOM 354 NE ARG A 23 2.594 -0.484 11.851 1.00 0.00 N ATOM 355 CZ ARG A 23 3.059 -0.154 13.075 1.00 0.00 C ATOM 356 NH1 ARG A 23 2.574 0.925 13.725 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.995 -0.903 13.627 1.00 0.00 N ATOM 0 H ARG A 23 -0.404 1.013 6.737 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.068 -1.496 7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.723 1.012 8.510 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.590 0.857 9.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.447 -1.406 10.345 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.843 -0.960 9.385 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.959 1.214 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.736 0.529 11.810 1.00 0.00 H new ATOM 0 HE ARG A 23 2.988 -1.307 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.850 1.499 13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.931 1.167 14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.356 -1.717 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.357 -0.668 14.551 1.00 0.00 H new ATOM 370 N LEU A 24 -2.958 -0.060 8.503 1.00 0.00 N ATOM 371 CA LEU A 24 -4.297 -0.282 9.023 1.00 0.00 C ATOM 372 C LEU A 24 -4.957 -1.424 8.249 1.00 0.00 C ATOM 373 O LEU A 24 -5.316 -2.447 8.830 1.00 0.00 O ATOM 374 CB LEU A 24 -5.101 1.020 9.004 1.00 0.00 C ATOM 375 CG LEU A 24 -6.559 0.914 9.456 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.016 2.204 10.139 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.469 0.531 8.287 1.00 0.00 C ATOM 0 H LEU A 24 -2.830 0.829 8.019 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.254 -0.588 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.595 1.745 9.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.084 1.420 7.990 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.631 0.116 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.056 2.102 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.392 2.394 11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.926 3.037 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.500 0.462 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.399 1.290 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.157 -0.433 7.884 1.00 0.00 H new ATOM 389 N VAL A 25 -5.098 -1.212 6.948 1.00 0.00 N ATOM 390 CA VAL A 25 -5.709 -2.211 6.089 1.00 0.00 C ATOM 391 C VAL A 25 -5.247 -3.604 6.524 1.00 0.00 C ATOM 392 O VAL A 25 -6.053 -4.416 6.976 1.00 0.00 O ATOM 393 CB VAL A 25 -5.390 -1.907 4.624 1.00 0.00 C ATOM 394 CG1 VAL A 25 -6.093 -2.897 3.692 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.760 -0.465 4.271 1.00 0.00 C ATOM 0 H VAL A 25 -4.799 -0.363 6.469 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.794 -2.184 6.185 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.315 -2.022 4.485 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.849 -2.658 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.760 -3.910 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.171 -2.829 3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.523 -0.274 3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.827 -0.312 4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.194 0.221 4.902 1.00 0.00 H new ATOM 405 N ARG A 26 -3.952 -3.836 6.372 1.00 0.00 N ATOM 406 CA ARG A 26 -3.373 -5.116 6.744 1.00 0.00 C ATOM 407 C ARG A 26 -4.018 -5.637 8.030 1.00 0.00 C ATOM 408 O ARG A 26 -4.794 -6.590 7.998 1.00 0.00 O ATOM 409 CB ARG A 26 -1.861 -4.998 6.952 1.00 0.00 C ATOM 410 CG ARG A 26 -1.124 -6.158 6.281 1.00 0.00 C ATOM 411 CD ARG A 26 0.124 -5.663 5.546 1.00 0.00 C ATOM 412 NE ARG A 26 1.340 -6.207 6.190 1.00 0.00 N ATOM 413 CZ ARG A 26 1.831 -5.772 7.370 1.00 0.00 C ATOM 414 NH1 ARG A 26 1.212 -4.782 8.046 1.00 0.00 N ATOM 415 NH2 ARG A 26 2.925 -6.331 7.853 1.00 0.00 N ATOM 0 H ARG A 26 -3.287 -3.160 5.996 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.563 -5.814 5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.507 -4.052 6.543 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.637 -4.988 8.019 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.840 -6.896 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.790 -6.659 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.087 -5.971 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.154 -4.573 5.556 1.00 0.00 H new ATOM 0 HE ARG A 26 1.839 -6.958 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.366 -4.356 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.590 -4.459 8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.386 -7.080 7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.309 -6.014 8.743 1.00 0.00 H new ATOM 428 N THR A 27 -3.672 -4.988 9.133 1.00 0.00 N ATOM 429 CA THR A 27 -4.208 -5.374 10.427 1.00 0.00 C ATOM 430 C THR A 27 -5.727 -5.536 10.349 1.00 0.00 C ATOM 431 O THR A 27 -6.267 -6.565 10.752 1.00 0.00 O ATOM 432 CB THR A 27 -3.760 -4.331 11.454 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.412 -4.045 11.092 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.653 -4.909 12.866 1.00 0.00 C ATOM 0 H THR A 27 -3.027 -4.198 9.157 1.00 0.00 H new ATOM 0 HA THR A 27 -3.825 -6.345 10.740 1.00 0.00 H new ATOM 0 HB THR A 27 -4.462 -3.497 11.456 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.384 -3.224 10.558 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.332 -4.128 13.555 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.625 -5.291 13.178 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.925 -5.721 12.873 1.00 0.00 H new ATOM 442 N SER A 28 -6.374 -4.505 9.826 1.00 0.00 N ATOM 443 CA SER A 28 -7.821 -4.520 9.690 1.00 0.00 C ATOM 444 C SER A 28 -8.277 -5.856 9.100 1.00 0.00 C ATOM 445 O SER A 28 -9.215 -6.473 9.603 1.00 0.00 O ATOM 446 CB SER A 28 -8.304 -3.361 8.815 1.00 0.00 C ATOM 447 OG SER A 28 -9.726 -3.285 8.767 1.00 0.00 O ATOM 0 H SER A 28 -5.923 -3.654 9.491 1.00 0.00 H new ATOM 0 HA SER A 28 -8.259 -4.399 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.904 -2.424 9.201 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.913 -3.482 7.805 1.00 0.00 H new ATOM 0 HG SER A 28 -9.994 -2.532 8.200 1.00 0.00 H new ATOM 453 N THR A 29 -7.592 -6.264 8.042 1.00 0.00 N ATOM 454 CA THR A 29 -7.914 -7.516 7.379 1.00 0.00 C ATOM 455 C THR A 29 -7.683 -8.696 8.325 1.00 0.00 C ATOM 456 O THR A 29 -8.637 -9.307 8.805 1.00 0.00 O ATOM 457 CB THR A 29 -7.088 -7.597 6.094 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.001 -6.245 5.651 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.832 -8.312 4.964 1.00 0.00 C ATOM 0 H THR A 29 -6.815 -5.749 7.627 1.00 0.00 H new ATOM 0 HA THR A 29 -8.969 -7.559 7.108 1.00 0.00 H new ATOM 0 HB THR A 29 -6.151 -8.116 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.165 -5.848 5.974 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.202 -8.342 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.072 -9.329 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.753 -7.775 4.738 1.00 0.00 H new ATOM 467 N ALA A 30 -6.412 -8.980 8.565 1.00 0.00 N ATOM 468 CA ALA A 30 -6.043 -10.076 9.445 1.00 0.00 C ATOM 469 C ALA A 30 -6.951 -10.062 10.677 1.00 0.00 C ATOM 470 O ALA A 30 -7.473 -11.101 11.080 1.00 0.00 O ATOM 471 CB ALA A 30 -4.562 -9.962 9.811 1.00 0.00 C ATOM 0 H ALA A 30 -5.624 -8.470 8.165 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.181 -11.034 8.944 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.286 -10.784 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.959 -10.006 8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.385 -9.014 10.319 1.00 0.00 H new ATOM 477 N THR A 31 -7.110 -8.874 11.242 1.00 0.00 N ATOM 478 CA THR A 31 -7.946 -8.711 12.419 1.00 0.00 C ATOM 479 C THR A 31 -9.323 -9.334 12.186 1.00 0.00 C ATOM 480 O THR A 31 -9.877 -9.977 13.077 1.00 0.00 O ATOM 481 CB THR A 31 -8.002 -7.220 12.757 1.00 0.00 C ATOM 482 OG1 THR A 31 -6.716 -6.939 13.303 1.00 0.00 O ATOM 483 CG2 THR A 31 -8.968 -6.915 13.903 1.00 0.00 C ATOM 0 H THR A 31 -6.674 -8.015 10.906 1.00 0.00 H new ATOM 0 HA THR A 31 -7.528 -9.237 13.277 1.00 0.00 H new ATOM 0 HB THR A 31 -8.301 -6.659 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.086 -6.753 12.576 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.969 -5.843 14.102 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.973 -7.234 13.626 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.651 -7.450 14.798 1.00 0.00 H new ATOM 491 N VAL A 32 -9.838 -9.121 10.984 1.00 0.00 N ATOM 492 CA VAL A 32 -11.141 -9.653 10.623 1.00 0.00 C ATOM 493 C VAL A 32 -11.132 -11.173 10.798 1.00 0.00 C ATOM 494 O VAL A 32 -12.180 -11.783 11.010 1.00 0.00 O ATOM 495 CB VAL A 32 -11.509 -9.218 9.203 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.974 -10.211 8.169 1.00 0.00 C ATOM 497 CG2 VAL A 32 -13.021 -9.037 9.059 1.00 0.00 C ATOM 0 H VAL A 32 -9.376 -8.587 10.248 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.912 -9.253 11.281 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.037 -8.253 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.250 -9.878 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.888 -10.267 8.247 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.403 -11.196 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.255 -8.728 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.523 -9.980 9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.364 -8.274 9.758 1.00 0.00 H new ATOM 507 N LEU A 33 -9.939 -11.741 10.704 1.00 0.00 N ATOM 508 CA LEU A 33 -9.781 -13.178 10.850 1.00 0.00 C ATOM 509 C LEU A 33 -9.337 -13.496 12.279 1.00 0.00 C ATOM 510 O LEU A 33 -8.601 -14.455 12.505 1.00 0.00 O ATOM 511 CB LEU A 33 -8.837 -13.725 9.777 1.00 0.00 C ATOM 512 CG LEU A 33 -9.325 -13.607 8.331 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.844 -13.431 8.278 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.592 -12.484 7.595 1.00 0.00 C ATOM 0 H LEU A 33 -9.073 -11.232 10.529 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.734 -13.684 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.883 -13.205 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.647 -14.777 9.991 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.090 -14.537 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.165 -13.350 7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.326 -14.292 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.124 -12.526 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.957 -12.422 6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.773 -11.537 8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.522 -12.692 7.587 1.00 0.00 H new ATOM 526 N GLY A 34 -9.802 -12.672 13.206 1.00 0.00 N ATOM 527 CA GLY A 34 -9.462 -12.853 14.607 1.00 0.00 C ATOM 528 C GLY A 34 -7.950 -12.990 14.791 1.00 0.00 C ATOM 529 O GLY A 34 -7.490 -13.540 15.790 1.00 0.00 O ATOM 0 H GLY A 34 -10.412 -11.877 13.014 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.827 -12.005 15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.961 -13.741 14.994 1.00 0.00 H new ATOM 533 N HIS A 35 -7.218 -12.482 13.810 1.00 0.00 N ATOM 534 CA HIS A 35 -5.767 -12.542 13.851 1.00 0.00 C ATOM 535 C HIS A 35 -5.233 -11.437 14.764 1.00 0.00 C ATOM 536 O HIS A 35 -5.259 -11.571 15.987 1.00 0.00 O ATOM 537 CB HIS A 35 -5.180 -12.479 12.439 1.00 0.00 C ATOM 538 CG HIS A 35 -5.528 -13.668 11.576 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.148 -14.843 11.885 1.00 0.00 N flip ATOM 540 CD2 HIS A 35 -5.233 -13.726 10.225 1.00 0.00 C flip ATOM 541 CE1 HIS A 35 -6.228 -15.578 10.783 1.00 0.00 C flip ATOM 542 NE2 HIS A 35 -5.661 -14.887 9.752 1.00 0.00 N flip ATOM 0 H HIS A 35 -7.603 -12.027 12.982 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.451 -13.497 14.271 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.534 -11.572 11.950 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.095 -12.400 12.511 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.492 -15.111 12.807 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.738 -12.955 9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.669 -16.561 10.714 1.00 0.00 H new ATOM 550 N ASP A 36 -4.762 -10.369 14.136 1.00 0.00 N ATOM 551 CA ASP A 36 -4.224 -9.242 14.877 1.00 0.00 C ATOM 552 C ASP A 36 -2.723 -9.449 15.093 1.00 0.00 C ATOM 553 O ASP A 36 -2.207 -9.190 16.179 1.00 0.00 O ATOM 554 CB ASP A 36 -4.887 -9.118 16.250 1.00 0.00 C ATOM 555 CG ASP A 36 -6.402 -9.325 16.257 1.00 0.00 C ATOM 556 OD1 ASP A 36 -7.132 -8.729 15.451 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.836 -10.149 17.150 1.00 0.00 O ATOM 0 H ASP A 36 -4.742 -10.261 13.122 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.417 -8.337 14.301 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.433 -9.845 16.923 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.669 -8.130 16.654 1.00 0.00 H new ATOM 563 N ASP A 37 -2.065 -9.914 14.041 1.00 0.00 N ATOM 564 CA ASP A 37 -0.634 -10.159 14.103 1.00 0.00 C ATOM 565 C ASP A 37 -0.084 -10.300 12.682 1.00 0.00 C ATOM 566 O ASP A 37 0.024 -11.409 12.161 1.00 0.00 O ATOM 567 CB ASP A 37 -0.329 -11.454 14.858 1.00 0.00 C ATOM 568 CG ASP A 37 -1.471 -12.472 14.884 1.00 0.00 C ATOM 569 OD1 ASP A 37 -2.177 -12.615 15.893 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.625 -13.146 13.795 1.00 0.00 O ATOM 0 H ASP A 37 -2.496 -10.127 13.142 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.170 -9.321 14.623 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.545 -11.923 14.406 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.062 -11.204 15.885 1.00 0.00 H new ATOM 576 N PRO A 38 0.258 -9.130 12.079 1.00 0.00 N ATOM 577 CA PRO A 38 0.794 -9.112 10.729 1.00 0.00 C ATOM 578 C PRO A 38 2.249 -9.586 10.711 1.00 0.00 C ATOM 579 O PRO A 38 2.789 -9.904 9.652 1.00 0.00 O ATOM 580 CB PRO A 38 0.633 -7.675 10.261 1.00 0.00 C ATOM 581 CG PRO A 38 0.443 -6.845 11.520 1.00 0.00 C ATOM 582 CD PRO A 38 0.144 -7.797 12.666 1.00 0.00 C ATOM 0 HA PRO A 38 0.272 -9.796 10.060 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.510 -7.345 9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.224 -7.575 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.340 -6.262 11.732 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.374 -6.136 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.849 -7.664 13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.853 -7.627 13.072 1.00 0.00 H new ATOM 590 N LYS A 39 2.842 -9.620 11.895 1.00 0.00 N ATOM 591 CA LYS A 39 4.223 -10.051 12.028 1.00 0.00 C ATOM 592 C LYS A 39 4.472 -11.245 11.105 1.00 0.00 C ATOM 593 O LYS A 39 5.587 -11.441 10.624 1.00 0.00 O ATOM 594 CB LYS A 39 4.560 -10.326 13.495 1.00 0.00 C ATOM 595 CG LYS A 39 4.019 -11.689 13.935 1.00 0.00 C ATOM 596 CD LYS A 39 4.557 -12.073 15.314 1.00 0.00 C ATOM 597 CE LYS A 39 4.598 -13.593 15.483 1.00 0.00 C ATOM 598 NZ LYS A 39 4.935 -13.951 16.879 1.00 0.00 N ATOM 0 H LYS A 39 2.391 -9.356 12.771 1.00 0.00 H new ATOM 0 HA LYS A 39 4.901 -9.258 11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.641 -10.297 13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.136 -9.542 14.123 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.930 -11.661 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.301 -12.449 13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.558 -11.662 15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.928 -11.634 16.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.632 -14.021 15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.335 -14.020 14.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.959 -14.986 16.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.867 -13.559 17.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.216 -13.559 17.521 1.00 0.00 H new ATOM 611 N ALA A 40 3.414 -12.013 10.886 1.00 0.00 N ATOM 612 CA ALA A 40 3.504 -13.183 10.029 1.00 0.00 C ATOM 613 C ALA A 40 2.632 -12.970 8.790 1.00 0.00 C ATOM 614 O ALA A 40 1.773 -13.794 8.481 1.00 0.00 O ATOM 615 CB ALA A 40 3.097 -14.428 10.821 1.00 0.00 C ATOM 0 H ALA A 40 2.491 -11.848 11.287 1.00 0.00 H new ATOM 0 HA ALA A 40 4.529 -13.333 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.164 -15.306 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.764 -14.551 11.674 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.072 -14.315 11.175 1.00 0.00 H new ATOM 621 N VAL A 41 2.884 -11.860 8.112 1.00 0.00 N ATOM 622 CA VAL A 41 2.134 -11.528 6.913 1.00 0.00 C ATOM 623 C VAL A 41 2.926 -10.514 6.085 1.00 0.00 C ATOM 624 O VAL A 41 3.685 -9.717 6.633 1.00 0.00 O ATOM 625 CB VAL A 41 0.737 -11.030 7.291 1.00 0.00 C ATOM 626 CG1 VAL A 41 0.692 -9.501 7.329 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.320 -11.587 6.336 1.00 0.00 C ATOM 0 H VAL A 41 3.598 -11.179 8.371 1.00 0.00 H new ATOM 0 HA VAL A 41 1.993 -12.414 6.294 1.00 0.00 H new ATOM 0 HB VAL A 41 0.510 -11.396 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.312 -9.173 7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.405 -9.134 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.950 -9.105 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.304 -11.218 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.097 -11.265 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.313 -12.676 6.381 1.00 0.00 H new ATOM 637 N ARG A 42 2.721 -10.578 4.777 1.00 0.00 N ATOM 638 CA ARG A 42 3.407 -9.676 3.868 1.00 0.00 C ATOM 639 C ARG A 42 2.486 -8.519 3.473 1.00 0.00 C ATOM 640 O ARG A 42 1.283 -8.564 3.727 1.00 0.00 O ATOM 641 CB ARG A 42 3.864 -10.408 2.605 1.00 0.00 C ATOM 642 CG ARG A 42 5.251 -11.023 2.800 1.00 0.00 C ATOM 643 CD ARG A 42 6.334 -9.943 2.802 1.00 0.00 C ATOM 644 NE ARG A 42 7.402 -10.299 3.763 1.00 0.00 N ATOM 645 CZ ARG A 42 8.407 -11.160 3.493 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.489 -11.760 2.286 1.00 0.00 N ATOM 647 NH2 ARG A 42 9.308 -11.405 4.426 1.00 0.00 N ATOM 0 H ARG A 42 2.090 -11.240 4.326 1.00 0.00 H new ATOM 0 HA ARG A 42 4.284 -9.287 4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.147 -11.190 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.885 -9.713 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.280 -11.574 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.450 -11.741 2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.754 -9.836 1.802 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.899 -8.980 3.070 1.00 0.00 H new ATOM 0 HE ARG A 42 7.377 -9.867 4.687 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.789 -11.564 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.251 -12.409 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.239 -10.947 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.073 -12.053 4.238 1.00 0.00 H new ATOM 660 N ALA A 43 3.086 -7.510 2.859 1.00 0.00 N ATOM 661 CA ALA A 43 2.335 -6.344 2.426 1.00 0.00 C ATOM 662 C ALA A 43 1.850 -6.558 0.991 1.00 0.00 C ATOM 663 O ALA A 43 1.081 -5.755 0.465 1.00 0.00 O ATOM 664 CB ALA A 43 3.206 -5.094 2.567 1.00 0.00 C ATOM 0 H ALA A 43 4.084 -7.476 2.651 1.00 0.00 H new ATOM 0 HA ALA A 43 1.455 -6.200 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.642 -4.219 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.499 -4.970 3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.098 -5.201 1.950 1.00 0.00 H new ATOM 670 N THR A 44 2.320 -7.646 0.398 1.00 0.00 N ATOM 671 CA THR A 44 1.944 -7.976 -0.967 1.00 0.00 C ATOM 672 C THR A 44 1.486 -9.432 -1.056 1.00 0.00 C ATOM 673 O THR A 44 1.682 -10.087 -2.078 1.00 0.00 O ATOM 674 CB THR A 44 3.133 -7.656 -1.875 1.00 0.00 C ATOM 675 OG1 THR A 44 4.184 -8.477 -1.374 1.00 0.00 O ATOM 676 CG2 THR A 44 3.650 -6.229 -1.682 1.00 0.00 C ATOM 0 H THR A 44 2.957 -8.310 0.837 1.00 0.00 H new ATOM 0 HA THR A 44 1.094 -7.380 -1.299 1.00 0.00 H new ATOM 0 HB THR A 44 2.843 -7.799 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.994 -8.334 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.493 -6.054 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.854 -5.520 -1.909 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.971 -6.095 -0.649 1.00 0.00 H new ATOM 684 N THR A 45 0.883 -9.897 0.028 1.00 0.00 N ATOM 685 CA THR A 45 0.395 -11.265 0.085 1.00 0.00 C ATOM 686 C THR A 45 -1.048 -11.337 -0.418 1.00 0.00 C ATOM 687 O THR A 45 -1.745 -10.325 -0.464 1.00 0.00 O ATOM 688 CB THR A 45 0.564 -11.768 1.520 1.00 0.00 C ATOM 689 OG1 THR A 45 1.244 -13.011 1.375 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.770 -12.146 2.169 1.00 0.00 C ATOM 0 H THR A 45 0.721 -9.351 0.874 1.00 0.00 H new ATOM 0 HA THR A 45 0.969 -11.918 -0.573 1.00 0.00 H new ATOM 0 HB THR A 45 1.054 -11.000 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.396 -13.406 2.259 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.594 -12.496 3.186 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.423 -11.273 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.245 -12.938 1.590 1.00 0.00 H new ATOM 698 N PRO A 46 -1.465 -12.577 -0.793 1.00 0.00 N ATOM 699 CA PRO A 46 -2.812 -12.795 -1.291 1.00 0.00 C ATOM 700 C PRO A 46 -3.831 -12.760 -0.150 1.00 0.00 C ATOM 701 O PRO A 46 -3.893 -13.683 0.660 1.00 0.00 O ATOM 702 CB PRO A 46 -2.757 -14.140 -1.997 1.00 0.00 C ATOM 703 CG PRO A 46 -1.513 -14.836 -1.472 1.00 0.00 C ATOM 704 CD PRO A 46 -0.667 -13.799 -0.752 1.00 0.00 C ATOM 0 HA PRO A 46 -3.139 -12.013 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.651 -14.728 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.706 -14.012 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.786 -15.644 -0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.952 -15.284 -2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.458 -14.101 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.295 -13.661 -1.246 1.00 0.00 H new ATOM 712 N PHE A 47 -4.604 -11.684 -0.123 1.00 0.00 N ATOM 713 CA PHE A 47 -5.617 -11.517 0.905 1.00 0.00 C ATOM 714 C PHE A 47 -6.747 -12.534 0.732 1.00 0.00 C ATOM 715 O PHE A 47 -7.302 -13.024 1.715 1.00 0.00 O ATOM 716 CB PHE A 47 -6.188 -10.106 0.744 1.00 0.00 C ATOM 717 CG PHE A 47 -5.558 -9.070 1.677 1.00 0.00 C ATOM 718 CD1 PHE A 47 -4.226 -9.119 1.947 1.00 0.00 C ATOM 719 CD2 PHE A 47 -6.330 -8.100 2.237 1.00 0.00 C ATOM 720 CE1 PHE A 47 -3.641 -8.158 2.813 1.00 0.00 C ATOM 721 CE2 PHE A 47 -5.745 -7.139 3.103 1.00 0.00 C ATOM 722 CZ PHE A 47 -4.413 -7.188 3.373 1.00 0.00 C ATOM 0 H PHE A 47 -4.549 -10.920 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.176 -11.668 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.048 -9.784 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.262 -10.137 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.613 -9.889 1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.388 -8.061 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.583 -8.197 3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.358 -6.369 3.547 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.968 -6.457 4.032 1.00 0.00 H new ATOM 732 N LYS A 48 -7.055 -12.821 -0.524 1.00 0.00 N ATOM 733 CA LYS A 48 -8.109 -13.771 -0.838 1.00 0.00 C ATOM 734 C LYS A 48 -7.818 -15.099 -0.135 1.00 0.00 C ATOM 735 O LYS A 48 -8.715 -15.922 0.039 1.00 0.00 O ATOM 736 CB LYS A 48 -8.279 -13.902 -2.353 1.00 0.00 C ATOM 737 CG LYS A 48 -9.726 -13.630 -2.767 1.00 0.00 C ATOM 738 CD LYS A 48 -10.188 -14.626 -3.832 1.00 0.00 C ATOM 739 CE LYS A 48 -10.983 -15.772 -3.202 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.314 -16.794 -4.220 1.00 0.00 N ATOM 0 H LYS A 48 -6.593 -12.412 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.068 -13.414 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.614 -13.202 -2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.988 -14.904 -2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.376 -13.697 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.813 -12.614 -3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.804 -14.114 -4.571 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.323 -15.026 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.403 -16.225 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.899 -15.385 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.853 -17.564 -3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.885 -16.361 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.436 -17.176 -4.627 1.00 0.00 H new ATOM 753 N GLU A 49 -6.561 -15.266 0.249 1.00 0.00 N ATOM 754 CA GLU A 49 -6.141 -16.480 0.928 1.00 0.00 C ATOM 755 C GLU A 49 -6.300 -16.323 2.442 1.00 0.00 C ATOM 756 O GLU A 49 -6.493 -17.307 3.155 1.00 0.00 O ATOM 757 CB GLU A 49 -4.700 -16.842 0.563 1.00 0.00 C ATOM 758 CG GLU A 49 -4.664 -17.925 -0.518 1.00 0.00 C ATOM 759 CD GLU A 49 -4.794 -19.319 0.098 1.00 0.00 C ATOM 760 OE1 GLU A 49 -3.939 -19.725 0.899 1.00 0.00 O ATOM 761 OE2 GLU A 49 -5.829 -19.989 -0.282 1.00 0.00 O ATOM 0 H GLU A 49 -5.820 -14.581 0.103 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.781 -17.298 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.176 -15.954 0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.173 -17.191 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.474 -17.761 -1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.730 -17.856 -1.076 1.00 0.00 H new ATOM 769 N LEU A 50 -6.213 -15.078 2.888 1.00 0.00 N ATOM 770 CA LEU A 50 -6.345 -14.780 4.304 1.00 0.00 C ATOM 771 C LEU A 50 -7.609 -15.450 4.846 1.00 0.00 C ATOM 772 O LEU A 50 -7.601 -15.998 5.947 1.00 0.00 O ATOM 773 CB LEU A 50 -6.301 -13.269 4.539 1.00 0.00 C ATOM 774 CG LEU A 50 -4.938 -12.600 4.351 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.064 -11.076 4.393 1.00 0.00 C ATOM 776 CD2 LEU A 50 -3.926 -13.120 5.374 1.00 0.00 C ATOM 0 H LEU A 50 -6.053 -14.265 2.294 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.503 -15.191 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.012 -12.795 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.645 -13.069 5.554 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.562 -12.864 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.081 -10.626 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.729 -10.744 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.472 -10.771 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.966 -12.628 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.284 -12.906 6.381 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.806 -14.197 5.253 1.00 0.00 H new ATOM 788 N GLY A 51 -8.665 -15.384 4.048 1.00 0.00 N ATOM 789 CA GLY A 51 -9.933 -15.977 4.435 1.00 0.00 C ATOM 790 C GLY A 51 -11.090 -15.005 4.192 1.00 0.00 C ATOM 791 O GLY A 51 -11.854 -14.703 5.107 1.00 0.00 O ATOM 0 H GLY A 51 -8.668 -14.929 3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.098 -16.893 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.902 -16.255 5.488 1.00 0.00 H new ATOM 795 N PHE A 52 -11.182 -14.543 2.953 1.00 0.00 N ATOM 796 CA PHE A 52 -12.232 -13.611 2.578 1.00 0.00 C ATOM 797 C PHE A 52 -13.115 -14.196 1.474 1.00 0.00 C ATOM 798 O PHE A 52 -12.659 -15.018 0.680 1.00 0.00 O ATOM 799 CB PHE A 52 -11.544 -12.350 2.051 1.00 0.00 C ATOM 800 CG PHE A 52 -11.376 -11.249 3.100 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.424 -11.368 4.064 1.00 0.00 C ATOM 802 CD2 PHE A 52 -12.178 -10.151 3.067 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.268 -10.346 5.037 1.00 0.00 C ATOM 804 CE2 PHE A 52 -12.021 -9.128 4.040 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.070 -9.247 5.005 1.00 0.00 C ATOM 0 H PHE A 52 -10.547 -14.797 2.196 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.866 -13.398 3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.562 -12.620 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.121 -11.956 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.787 -12.240 4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.934 -10.057 2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.513 -10.441 5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.657 -8.256 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.951 -8.470 5.745 1.00 0.00 H new ATOM 815 N ASP A 53 -14.362 -13.750 1.459 1.00 0.00 N ATOM 816 CA ASP A 53 -15.313 -14.218 0.465 1.00 0.00 C ATOM 817 C ASP A 53 -16.432 -13.187 0.310 1.00 0.00 C ATOM 818 O ASP A 53 -16.571 -12.570 -0.745 1.00 0.00 O ATOM 819 CB ASP A 53 -15.947 -15.544 0.891 1.00 0.00 C ATOM 820 CG ASP A 53 -16.456 -16.416 -0.258 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.673 -16.896 -1.091 1.00 0.00 O ATOM 822 OD2 ASP A 53 -17.733 -16.600 -0.278 1.00 0.00 O ATOM 0 H ASP A 53 -14.736 -13.069 2.120 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.777 -14.359 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.213 -16.113 1.462 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.779 -15.332 1.563 1.00 0.00 H new ATOM 828 N SER A 54 -17.202 -13.031 1.377 1.00 0.00 N ATOM 829 CA SER A 54 -18.305 -12.085 1.372 1.00 0.00 C ATOM 830 C SER A 54 -18.475 -11.473 2.764 1.00 0.00 C ATOM 831 O SER A 54 -18.308 -10.267 2.940 1.00 0.00 O ATOM 832 CB SER A 54 -19.605 -12.757 0.925 1.00 0.00 C ATOM 833 OG SER A 54 -19.490 -13.331 -0.374 1.00 0.00 O ATOM 0 H SER A 54 -17.084 -13.544 2.251 1.00 0.00 H new ATOM 0 HA SER A 54 -18.074 -11.293 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.877 -13.532 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.412 -12.024 0.927 1.00 0.00 H new ATOM 0 HG SER A 54 -20.340 -13.751 -0.622 1.00 0.00 H new ATOM 839 N LEU A 55 -18.805 -12.332 3.717 1.00 0.00 N ATOM 840 CA LEU A 55 -18.999 -11.891 5.088 1.00 0.00 C ATOM 841 C LEU A 55 -17.732 -11.186 5.577 1.00 0.00 C ATOM 842 O LEU A 55 -17.795 -10.066 6.079 1.00 0.00 O ATOM 843 CB LEU A 55 -19.431 -13.063 5.972 1.00 0.00 C ATOM 844 CG LEU A 55 -20.938 -13.307 6.073 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.256 -14.325 7.170 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.694 -11.992 6.274 1.00 0.00 C ATOM 0 H LEU A 55 -18.943 -13.331 3.567 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.810 -11.165 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.961 -13.970 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.042 -12.897 6.977 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.279 -13.733 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.334 -14.480 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.763 -15.270 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.898 -13.950 8.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.763 -12.194 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.355 -11.514 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.503 -11.330 5.429 1.00 0.00 H new ATOM 858 N ALA A 56 -16.611 -11.873 5.412 1.00 0.00 N ATOM 859 CA ALA A 56 -15.331 -11.326 5.831 1.00 0.00 C ATOM 860 C ALA A 56 -15.000 -10.101 4.976 1.00 0.00 C ATOM 861 O ALA A 56 -14.306 -9.193 5.429 1.00 0.00 O ATOM 862 CB ALA A 56 -14.256 -12.412 5.734 1.00 0.00 C ATOM 0 H ALA A 56 -16.562 -12.802 4.994 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.374 -11.001 6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.296 -12.003 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.523 -13.247 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.182 -12.760 4.704 1.00 0.00 H new ATOM 868 N ALA A 57 -15.513 -10.116 3.754 1.00 0.00 N ATOM 869 CA ALA A 57 -15.281 -9.017 2.832 1.00 0.00 C ATOM 870 C ALA A 57 -16.152 -7.826 3.236 1.00 0.00 C ATOM 871 O ALA A 57 -15.761 -6.675 3.047 1.00 0.00 O ATOM 872 CB ALA A 57 -15.559 -9.484 1.402 1.00 0.00 C ATOM 0 H ALA A 57 -16.088 -10.871 3.381 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.241 -8.694 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.385 -8.660 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.895 -10.312 1.154 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.595 -9.813 1.322 1.00 0.00 H new ATOM 878 N VAL A 58 -17.316 -8.143 3.783 1.00 0.00 N ATOM 879 CA VAL A 58 -18.245 -7.112 4.215 1.00 0.00 C ATOM 880 C VAL A 58 -17.862 -6.642 5.620 1.00 0.00 C ATOM 881 O VAL A 58 -18.169 -5.516 6.007 1.00 0.00 O ATOM 882 CB VAL A 58 -19.681 -7.634 4.130 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.598 -6.873 5.090 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.207 -7.561 2.695 1.00 0.00 C ATOM 0 H VAL A 58 -17.637 -9.099 3.937 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.188 -6.246 3.556 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.676 -8.681 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.613 -7.263 5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.240 -6.999 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.595 -5.814 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.229 -7.938 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.191 -6.526 2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.576 -8.167 2.045 1.00 0.00 H new ATOM 894 N ARG A 59 -17.196 -7.529 6.345 1.00 0.00 N ATOM 895 CA ARG A 59 -16.768 -7.219 7.698 1.00 0.00 C ATOM 896 C ARG A 59 -15.558 -6.283 7.671 1.00 0.00 C ATOM 897 O ARG A 59 -15.345 -5.510 8.604 1.00 0.00 O ATOM 898 CB ARG A 59 -16.402 -8.492 8.465 1.00 0.00 C ATOM 899 CG ARG A 59 -16.988 -8.467 9.879 1.00 0.00 C ATOM 900 CD ARG A 59 -16.761 -9.802 10.590 1.00 0.00 C ATOM 901 NE ARG A 59 -16.774 -9.604 12.056 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.274 -10.489 12.944 1.00 0.00 C ATOM 903 NH1 ARG A 59 -15.716 -11.643 12.521 1.00 0.00 N ATOM 904 NH2 ARG A 59 -16.338 -10.209 14.233 1.00 0.00 N ATOM 0 H ARG A 59 -16.942 -8.462 6.021 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.599 -6.729 8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.775 -9.364 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.318 -8.590 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.528 -7.662 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.056 -8.254 9.830 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.537 -10.512 10.304 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.807 -10.230 10.281 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.187 -8.745 12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.670 -11.852 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.340 -12.306 13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.761 -9.335 14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.965 -10.867 14.917 1.00 0.00 H new ATOM 917 N LEU A 60 -14.796 -6.384 6.591 1.00 0.00 N ATOM 918 CA LEU A 60 -13.613 -5.556 6.430 1.00 0.00 C ATOM 919 C LEU A 60 -14.038 -4.134 6.058 1.00 0.00 C ATOM 920 O LEU A 60 -13.682 -3.177 6.743 1.00 0.00 O ATOM 921 CB LEU A 60 -12.648 -6.191 5.427 1.00 0.00 C ATOM 922 CG LEU A 60 -11.274 -5.527 5.306 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.543 -5.531 6.650 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.445 -6.182 4.200 1.00 0.00 C ATOM 0 H LEU A 60 -14.975 -7.027 5.819 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.063 -5.490 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.502 -7.235 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.120 -6.185 4.445 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.421 -4.485 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.570 -5.054 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.132 -4.984 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.406 -6.559 6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.474 -5.692 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.304 -7.238 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.966 -6.083 3.248 1.00 0.00 H new ATOM 936 N ARG A 61 -14.794 -4.041 4.974 1.00 0.00 N ATOM 937 CA ARG A 61 -15.271 -2.752 4.503 1.00 0.00 C ATOM 938 C ARG A 61 -15.840 -1.938 5.667 1.00 0.00 C ATOM 939 O ARG A 61 -15.436 -0.798 5.888 1.00 0.00 O ATOM 940 CB ARG A 61 -16.351 -2.922 3.432 1.00 0.00 C ATOM 941 CG ARG A 61 -16.795 -1.565 2.881 1.00 0.00 C ATOM 942 CD ARG A 61 -18.315 -1.412 2.961 1.00 0.00 C ATOM 943 NE ARG A 61 -18.927 -1.748 1.656 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.233 -2.042 1.486 1.00 0.00 C ATOM 945 NH1 ARG A 61 -21.078 -2.045 2.539 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.673 -2.328 0.274 1.00 0.00 N ATOM 0 H ARG A 61 -15.088 -4.837 4.408 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.423 -2.224 4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.969 -3.541 2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.209 -3.445 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.315 -0.765 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.470 -1.465 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.714 -2.064 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.572 -0.390 3.240 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.324 -1.758 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.731 -1.824 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.064 -2.268 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.028 -2.325 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.657 -2.552 0.129 1.00 0.00 H new ATOM 959 N ASN A 62 -16.769 -2.557 6.381 1.00 0.00 N ATOM 960 CA ASN A 62 -17.397 -1.905 7.517 1.00 0.00 C ATOM 961 C ASN A 62 -16.315 -1.416 8.482 1.00 0.00 C ATOM 962 O ASN A 62 -16.544 -0.493 9.261 1.00 0.00 O ATOM 963 CB ASN A 62 -18.305 -2.875 8.276 1.00 0.00 C ATOM 964 CG ASN A 62 -19.762 -2.721 7.836 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.548 -2.011 8.441 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.077 -3.424 6.752 1.00 0.00 N ATOM 0 H ASN A 62 -17.102 -3.503 6.195 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.992 -1.073 7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.975 -3.899 8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.224 -2.692 9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -21.026 -3.388 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.370 -3.999 6.294 1.00 0.00 H new ATOM 973 N LEU A 63 -15.159 -2.058 8.398 1.00 0.00 N ATOM 974 CA LEU A 63 -14.041 -1.701 9.254 1.00 0.00 C ATOM 975 C LEU A 63 -13.198 -0.627 8.564 1.00 0.00 C ATOM 976 O LEU A 63 -13.024 0.469 9.096 1.00 0.00 O ATOM 977 CB LEU A 63 -13.246 -2.948 9.646 1.00 0.00 C ATOM 978 CG LEU A 63 -12.709 -2.978 11.079 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.456 -4.415 11.540 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.459 -2.105 11.214 1.00 0.00 C ATOM 0 H LEU A 63 -14.973 -2.823 7.750 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.400 -1.273 10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.882 -3.821 9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.404 -3.048 8.961 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.469 -2.558 11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.075 -4.408 12.561 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.389 -4.978 11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.724 -4.884 10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.097 -2.144 12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.684 -2.473 10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.705 -1.075 10.954 1.00 0.00 H new ATOM 992 N LEU A 64 -12.698 -0.978 7.388 1.00 0.00 N ATOM 993 CA LEU A 64 -11.878 -0.057 6.619 1.00 0.00 C ATOM 994 C LEU A 64 -12.578 1.301 6.542 1.00 0.00 C ATOM 995 O LEU A 64 -11.930 2.326 6.336 1.00 0.00 O ATOM 996 CB LEU A 64 -11.542 -0.654 5.251 1.00 0.00 C ATOM 997 CG LEU A 64 -10.288 -1.528 5.190 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.321 -2.450 3.969 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.020 -0.672 5.227 1.00 0.00 C ATOM 0 H LEU A 64 -12.845 -1.887 6.949 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.921 0.106 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.392 -1.249 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.426 0.163 4.539 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.273 -2.165 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.418 -3.060 3.949 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.196 -3.098 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.373 -1.849 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.143 -1.318 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.014 0.007 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.998 -0.094 6.151 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.891 1.264 6.712 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.686 2.480 6.665 1.00 0.00 C ATOM 1013 C ASN A 65 -14.135 3.484 7.679 1.00 0.00 C ATOM 1014 O ASN A 65 -14.240 4.693 7.480 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.146 2.197 7.025 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.977 1.919 5.770 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -18.143 2.263 5.678 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -16.312 1.279 4.813 1.00 0.00 N ATOM 0 H ASN A 65 -14.425 0.412 6.882 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.635 2.878 5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.199 1.341 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.564 3.049 7.561 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.778 1.047 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.336 1.020 4.956 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.560 2.946 8.744 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.993 3.780 9.790 1.00 0.00 C ATOM 1027 C ALA A 66 -11.596 4.241 9.367 1.00 0.00 C ATOM 1028 O ALA A 66 -10.905 4.916 10.128 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.976 3.005 11.109 1.00 0.00 C ATOM 0 H ALA A 66 -13.474 1.942 8.905 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.603 4.671 9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.551 3.631 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.994 2.726 11.380 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.371 2.105 10.995 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.224 3.858 8.154 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.923 4.224 7.621 1.00 0.00 C ATOM 1037 C ALA A 67 -10.111 4.996 6.314 1.00 0.00 C ATOM 1038 O ALA A 67 -9.136 5.360 5.658 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.074 2.964 7.437 1.00 0.00 C ATOM 0 H ALA A 67 -11.801 3.298 7.526 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.393 4.876 8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.098 3.238 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.946 2.468 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.573 2.287 6.744 1.00 0.00 H new ATOM 1045 N THR A 68 -11.371 5.223 5.974 1.00 0.00 N ATOM 1046 CA THR A 68 -11.699 5.945 4.756 1.00 0.00 C ATOM 1047 C THR A 68 -12.709 7.056 5.051 1.00 0.00 C ATOM 1048 O THR A 68 -12.381 8.238 4.960 1.00 0.00 O ATOM 1049 CB THR A 68 -12.196 4.930 3.724 1.00 0.00 C ATOM 1050 OG1 THR A 68 -13.186 4.180 4.423 1.00 0.00 O ATOM 1051 CG2 THR A 68 -11.130 3.895 3.361 1.00 0.00 C ATOM 0 H THR A 68 -12.177 4.920 6.520 1.00 0.00 H new ATOM 0 HA THR A 68 -10.823 6.446 4.344 1.00 0.00 H new ATOM 0 HB THR A 68 -12.514 5.454 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.753 3.472 4.944 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.534 3.199 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.260 4.400 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.835 3.347 4.256 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.917 6.637 5.398 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.977 7.582 5.707 1.00 0.00 C ATOM 1061 C GLY A 69 -16.238 7.275 4.897 1.00 0.00 C ATOM 1062 O GLY A 69 -17.309 7.808 5.183 1.00 0.00 O ATOM 0 H GLY A 69 -14.185 5.656 5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.206 7.542 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.640 8.596 5.491 1.00 0.00 H new ATOM 1066 N LEU A 70 -16.070 6.415 3.903 1.00 0.00 N ATOM 1067 CA LEU A 70 -17.182 6.030 3.051 1.00 0.00 C ATOM 1068 C LEU A 70 -17.453 4.534 3.218 1.00 0.00 C ATOM 1069 O LEU A 70 -16.896 3.894 4.109 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.917 6.449 1.603 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.614 5.939 0.985 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -15.822 5.532 -0.475 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.494 6.971 1.139 1.00 0.00 C ATOM 0 H LEU A 70 -15.181 5.974 3.669 1.00 0.00 H new ATOM 0 HA LEU A 70 -18.090 6.554 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.748 6.103 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.917 7.538 1.555 1.00 0.00 H new ATOM 0 HG LEU A 70 -15.305 5.045 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.880 5.173 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.568 4.739 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -16.166 6.393 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.579 6.584 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.780 7.896 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.325 7.169 2.197 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.309 4.019 2.347 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.661 2.610 2.387 1.00 0.00 C ATOM 1087 C ARG A 71 -17.681 1.794 1.543 1.00 0.00 C ATOM 1088 O ARG A 71 -17.857 0.589 1.371 1.00 0.00 O ATOM 1089 CB ARG A 71 -20.082 2.382 1.869 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.936 1.656 2.910 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.346 1.392 2.376 1.00 0.00 C ATOM 1092 NE ARG A 71 -23.350 1.987 3.286 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.750 1.422 4.445 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.233 0.241 4.846 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.655 2.041 5.180 1.00 0.00 N ATOM 0 H ARG A 71 -18.769 4.553 1.609 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.609 2.285 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.540 3.339 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.048 1.797 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.463 0.712 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.994 2.254 3.819 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.451 1.816 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.515 0.319 2.286 1.00 0.00 H new ATOM 0 HE ARG A 71 -23.766 2.880 3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.535 -0.231 4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.541 -0.179 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -25.041 2.933 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.968 1.628 6.058 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.668 2.483 1.037 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.659 1.837 0.215 1.00 0.00 C ATOM 1110 C LEU A 72 -16.340 1.138 -0.964 1.00 0.00 C ATOM 1111 O LEU A 72 -17.545 0.896 -0.935 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.791 0.906 1.064 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.865 1.588 2.072 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.165 0.556 2.959 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.866 2.507 1.365 1.00 0.00 C ATOM 0 H LEU A 72 -16.525 3.483 1.181 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.977 2.577 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.446 0.224 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.182 0.298 0.395 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.473 2.215 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.513 1.067 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.912 -0.021 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.572 -0.115 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.220 2.979 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.259 1.922 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.407 3.275 0.812 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.516 0.826 -2.000 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.026 0.160 -3.187 1.00 0.00 C ATOM 1129 C PRO A 73 -16.296 -1.321 -2.911 1.00 0.00 C ATOM 1130 O PRO A 73 -15.455 -2.013 -2.340 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.962 0.381 -4.249 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.695 0.758 -3.499 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.083 1.098 -2.070 1.00 0.00 C ATOM 0 HA PRO A 73 -16.986 0.559 -3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.810 -0.520 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.257 1.172 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.982 -0.067 -3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.208 1.609 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.529 0.491 -1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.866 2.141 -1.838 1.00 0.00 H new ATOM 1141 N SER A 74 -17.473 -1.762 -3.329 1.00 0.00 N ATOM 1142 CA SER A 74 -17.865 -3.148 -3.134 1.00 0.00 C ATOM 1143 C SER A 74 -16.813 -4.079 -3.738 1.00 0.00 C ATOM 1144 O SER A 74 -16.717 -5.244 -3.355 1.00 0.00 O ATOM 1145 CB SER A 74 -19.237 -3.424 -3.752 1.00 0.00 C ATOM 1146 OG SER A 74 -19.286 -3.056 -5.128 1.00 0.00 O ATOM 0 H SER A 74 -18.168 -1.184 -3.802 1.00 0.00 H new ATOM 0 HA SER A 74 -17.935 -3.337 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.474 -4.483 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 74 -20.000 -2.873 -3.202 1.00 0.00 H new ATOM 0 HG SER A 74 -20.177 -3.249 -5.487 1.00 0.00 H new ATOM 1152 N THR A 75 -16.050 -3.531 -4.672 1.00 0.00 N ATOM 1153 CA THR A 75 -15.008 -4.298 -5.333 1.00 0.00 C ATOM 1154 C THR A 75 -13.702 -4.217 -4.541 1.00 0.00 C ATOM 1155 O THR A 75 -12.701 -4.822 -4.923 1.00 0.00 O ATOM 1156 CB THR A 75 -14.881 -3.785 -6.769 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.421 -2.444 -6.618 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.238 -3.638 -7.461 1.00 0.00 C ATOM 0 H THR A 75 -16.133 -2.564 -4.987 1.00 0.00 H new ATOM 0 HA THR A 75 -15.262 -5.357 -5.373 1.00 0.00 H new ATOM 0 HB THR A 75 -14.253 -4.466 -7.344 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.309 -2.035 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.091 -3.271 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.736 -4.607 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.855 -2.931 -6.906 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.754 -3.464 -3.452 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.587 -3.296 -2.603 1.00 0.00 C ATOM 1168 C LEU A 76 -11.900 -4.650 -2.412 1.00 0.00 C ATOM 1169 O LEU A 76 -10.721 -4.802 -2.727 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.974 -2.613 -1.290 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.837 -2.382 -0.292 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -12.290 -1.480 0.857 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.271 -3.712 0.211 1.00 0.00 C ATOM 0 H LEU A 76 -14.586 -2.964 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.862 -2.635 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.426 -1.649 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.741 -3.215 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.029 -1.863 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.463 -1.332 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.607 -0.516 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.124 -1.948 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.465 -3.520 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.060 -4.280 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.885 -4.285 -0.632 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.668 -5.600 -1.898 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.149 -6.936 -1.662 1.00 0.00 C ATOM 1187 C VAL A 77 -12.353 -7.787 -2.917 1.00 0.00 C ATOM 1188 O VAL A 77 -12.414 -9.013 -2.837 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.803 -7.539 -0.418 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.348 -8.985 -0.205 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.517 -6.687 0.820 1.00 0.00 C ATOM 0 H VAL A 77 -13.646 -5.470 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.078 -6.900 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.881 -7.547 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.828 -9.390 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.626 -9.585 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.266 -9.011 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.994 -7.138 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.441 -6.632 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.913 -5.683 0.670 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.452 -7.102 -4.048 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.648 -7.780 -5.318 1.00 0.00 C ATOM 1203 C PHE A 78 -11.793 -7.145 -6.416 1.00 0.00 C ATOM 1204 O PHE A 78 -11.918 -7.498 -7.588 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.125 -7.625 -5.684 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.814 -8.938 -6.063 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.678 -9.439 -7.320 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.561 -9.604 -5.142 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.317 -10.658 -7.671 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.200 -10.823 -5.493 1.00 0.00 C ATOM 1211 CZ PHE A 78 -16.064 -11.324 -6.750 1.00 0.00 C ATOM 0 H PHE A 78 -12.400 -6.085 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.359 -8.827 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.653 -7.180 -4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.211 -6.928 -6.517 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.084 -8.910 -8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.668 -9.206 -4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.210 -11.056 -8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.794 -11.352 -4.762 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.549 -12.251 -7.017 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.943 -6.218 -5.998 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.068 -5.530 -6.932 1.00 0.00 C ATOM 1223 C ASP A 79 -8.752 -5.186 -6.231 1.00 0.00 C ATOM 1224 O ASP A 79 -8.002 -4.329 -6.697 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.699 -4.224 -7.419 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.920 -4.137 -8.930 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.991 -3.839 -9.695 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -12.122 -4.393 -9.321 1.00 0.00 O ATOM 0 H ASP A 79 -10.842 -5.928 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.900 -6.189 -7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.658 -4.093 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.063 -3.394 -7.112 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.511 -5.873 -5.124 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.298 -5.651 -4.355 1.00 0.00 C ATOM 1236 C HIS A 80 -6.493 -6.949 -4.281 1.00 0.00 C ATOM 1237 O HIS A 80 -6.854 -7.868 -3.547 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.627 -5.078 -2.975 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.848 -6.127 -1.911 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.823 -7.104 -2.012 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -7.210 -6.341 -0.725 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.765 -7.866 -0.930 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.765 -7.391 -0.133 1.00 0.00 N ATOM 0 H HIS A 80 -9.135 -6.583 -4.741 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.677 -4.907 -4.855 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.814 -4.423 -2.662 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.522 -4.460 -3.053 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.391 -5.755 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.398 -8.714 -0.716 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.489 -7.779 0.769 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.387 -6.985 -5.072 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.527 -8.156 -5.103 1.00 0.00 C ATOM 1253 C PRO A 81 -3.668 -8.239 -3.839 1.00 0.00 C ATOM 1254 O PRO A 81 -3.041 -9.264 -3.578 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.704 -8.006 -6.372 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.799 -6.539 -6.759 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.928 -5.917 -5.954 1.00 0.00 C ATOM 0 HA PRO A 81 -5.088 -9.090 -5.117 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.668 -8.299 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.090 -8.645 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.858 -6.028 -6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.991 -6.438 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.580 -5.055 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.731 -5.567 -6.603 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.668 -7.147 -3.090 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.897 -7.084 -1.860 1.00 0.00 C ATOM 1267 C ASN A 82 -3.414 -5.931 -0.997 1.00 0.00 C ATOM 1268 O ASN A 82 -4.386 -5.269 -1.358 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.416 -6.829 -2.151 1.00 0.00 C ATOM 1270 CG ASN A 82 -0.873 -7.844 -3.159 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.721 -9.069 -2.664 1.00 0.00 O flip ATOM 1272 ND2 ASN A 82 -0.610 -7.535 -4.309 1.00 0.00 N flip ATOM 0 H ASN A 82 -4.189 -6.299 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.005 -8.039 -1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.287 -5.819 -2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.844 -6.889 -1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.751 -6.575 -4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.250 -8.236 -4.956 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.741 -5.726 0.125 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.121 -4.664 1.042 1.00 0.00 C ATOM 1281 C ALA A 83 -2.538 -3.338 0.549 1.00 0.00 C ATOM 1282 O ALA A 83 -3.236 -2.326 0.510 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.652 -5.018 2.455 1.00 0.00 C ATOM 0 H ALA A 83 -1.935 -6.277 0.420 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.205 -4.555 1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.937 -4.222 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.117 -5.953 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.568 -5.132 2.461 1.00 0.00 H new ATOM 1289 N SER A 84 -1.264 -3.387 0.186 1.00 0.00 N ATOM 1290 CA SER A 84 -0.580 -2.202 -0.302 1.00 0.00 C ATOM 1291 C SER A 84 -1.268 -1.684 -1.567 1.00 0.00 C ATOM 1292 O SER A 84 -1.024 -0.556 -1.993 1.00 0.00 O ATOM 1293 CB SER A 84 0.895 -2.494 -0.582 1.00 0.00 C ATOM 1294 OG SER A 84 1.759 -1.725 0.250 1.00 0.00 O ATOM 0 H SER A 84 -0.688 -4.228 0.220 1.00 0.00 H new ATOM 0 HA SER A 84 -0.630 -1.435 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.091 -3.555 -0.425 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.115 -2.280 -1.628 1.00 0.00 H new ATOM 0 HG SER A 84 2.692 -1.942 0.042 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.115 -2.532 -2.131 1.00 0.00 N ATOM 1301 CA ALA A 85 -2.840 -2.175 -3.338 1.00 0.00 C ATOM 1302 C ALA A 85 -4.163 -1.509 -2.955 1.00 0.00 C ATOM 1303 O ALA A 85 -4.576 -0.534 -3.581 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.043 -3.422 -4.200 1.00 0.00 C ATOM 0 H ALA A 85 -2.315 -3.466 -1.774 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.270 -1.459 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.587 -3.154 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.073 -3.840 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.614 -4.163 -3.640 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.791 -2.062 -1.928 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.059 -1.534 -1.454 1.00 0.00 C ATOM 1312 C VAL A 86 -5.879 -0.068 -1.055 1.00 0.00 C ATOM 1313 O VAL A 86 -6.547 0.812 -1.596 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.594 -2.402 -0.313 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.762 -1.582 0.968 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.908 -3.079 -0.708 1.00 0.00 C ATOM 0 H VAL A 86 -4.445 -2.870 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.806 -1.566 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.861 -3.184 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.143 -2.223 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.798 -1.170 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.465 -0.768 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.266 -3.690 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.652 -2.319 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.743 -3.712 -1.580 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.974 0.149 -0.113 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.697 1.494 0.364 1.00 0.00 C ATOM 1328 C ALA A 87 -4.546 2.434 -0.833 1.00 0.00 C ATOM 1329 O ALA A 87 -4.976 3.585 -0.781 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.451 1.475 1.252 1.00 0.00 C ATOM 0 H ALA A 87 -4.422 -0.584 0.333 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.524 1.864 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.244 2.484 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.621 0.816 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.600 1.112 0.676 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.934 1.908 -1.884 1.00 0.00 N ATOM 1337 CA GLY A 88 -3.721 2.686 -3.093 1.00 0.00 C ATOM 1338 C GLY A 88 -5.052 3.035 -3.762 1.00 0.00 C ATOM 1339 O GLY A 88 -5.234 4.152 -4.243 1.00 0.00 O ATOM 0 H GLY A 88 -3.579 0.953 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.181 3.601 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.098 2.122 -3.787 1.00 0.00 H new ATOM 1343 N PHE A 89 -5.947 2.059 -3.771 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.255 2.249 -4.374 1.00 0.00 C ATOM 1345 C PHE A 89 -8.028 3.365 -3.667 1.00 0.00 C ATOM 1346 O PHE A 89 -8.532 4.281 -4.314 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.019 0.933 -4.209 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.138 0.989 -3.167 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.214 1.797 -3.367 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.057 0.231 -2.041 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.252 1.849 -2.401 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.096 0.283 -1.074 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.171 1.091 -1.274 1.00 0.00 C ATOM 0 H PHE A 89 -5.792 1.134 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.145 2.527 -5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.446 0.650 -5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.315 0.149 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.278 2.399 -4.261 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.203 -0.410 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.106 2.490 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.032 -0.319 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.961 1.131 -0.538 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.096 3.250 -2.349 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.798 4.238 -1.547 1.00 0.00 C ATOM 1365 C LEU A 90 -8.081 5.585 -1.662 1.00 0.00 C ATOM 1366 O LEU A 90 -8.716 6.610 -1.905 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.954 3.746 -0.107 1.00 0.00 C ATOM 1368 CG LEU A 90 -7.742 3.031 0.493 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -7.197 3.795 1.702 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.077 1.578 0.837 1.00 0.00 C ATOM 0 H LEU A 90 -7.677 2.488 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.811 4.383 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.195 4.601 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.807 3.069 -0.066 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.952 3.010 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.336 3.265 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.895 4.796 1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.972 3.869 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.198 1.093 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.891 1.554 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.381 1.051 -0.067 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.769 5.538 -1.483 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.960 6.742 -1.564 1.00 0.00 C ATOM 1384 C ASP A 91 -6.452 7.605 -2.728 1.00 0.00 C ATOM 1385 O ASP A 91 -6.819 8.763 -2.536 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.490 6.402 -1.816 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.502 7.527 -1.501 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.671 7.901 -2.342 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.611 8.033 -0.320 1.00 0.00 O ATOM 0 H ASP A 91 -6.246 4.685 -1.282 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.050 7.273 -0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.227 5.530 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.373 6.118 -2.862 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.443 7.007 -3.911 1.00 0.00 N ATOM 1396 CA ALA A 92 -6.883 7.706 -5.106 1.00 0.00 C ATOM 1397 C ALA A 92 -8.265 8.315 -4.856 1.00 0.00 C ATOM 1398 O ALA A 92 -8.546 9.428 -5.297 1.00 0.00 O ATOM 1399 CB ALA A 92 -6.877 6.742 -6.294 1.00 0.00 C ATOM 0 H ALA A 92 -6.138 6.046 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.201 8.522 -5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.207 7.267 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.868 6.361 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.552 5.910 -6.091 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.091 7.557 -4.149 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.436 8.007 -3.835 1.00 0.00 C ATOM 1407 C GLU A 93 -10.391 9.124 -2.790 1.00 0.00 C ATOM 1408 O GLU A 93 -11.302 9.948 -2.717 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.306 6.843 -3.358 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.647 7.346 -2.819 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.803 6.491 -3.342 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.743 5.255 -3.266 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.791 7.155 -3.840 1.00 0.00 O ATOM 0 H GLU A 93 -8.854 6.634 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.887 8.405 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.478 6.151 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.782 6.288 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.637 7.323 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.795 8.385 -3.114 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.323 9.115 -2.006 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.148 10.116 -0.968 1.00 0.00 C ATOM 1423 C LEU A 94 -8.430 11.333 -1.556 1.00 0.00 C ATOM 1424 O LEU A 94 -8.531 12.436 -1.021 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.440 9.511 0.246 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.278 8.565 1.108 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.503 7.287 1.432 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.775 9.270 2.372 1.00 0.00 C ATOM 0 H LEU A 94 -8.570 8.430 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.116 10.461 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.561 8.970 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.083 10.325 0.877 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.158 8.271 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.122 6.632 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.241 6.776 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.593 7.541 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.368 8.575 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.921 9.612 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.390 10.126 2.093 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.720 11.091 -2.648 1.00 0.00 N ATOM 1441 CA GLY A 95 -6.985 12.153 -3.313 1.00 0.00 C ATOM 1442 C GLY A 95 -5.483 11.861 -3.319 1.00 0.00 C ATOM 1443 O GLY A 95 -5.055 10.788 -2.897 1.00 0.00 O ATOM 0 H GLY A 95 -7.638 10.175 -3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.342 12.261 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.173 13.101 -2.809 1.00 0.00 H new