USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 421 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: B 134 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 137 THR OG1 : rot -80:sc= -2.01! USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 THR OG1 : rot 45:sc= 0.00153 USER MOD Single : B 112 SER OG : rot 180:sc= -0.52 USER MOD Single : B 114 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 123 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : B 124 SER OG : rot 180:sc= 0 USER MOD Single : B 136 THR OG1 : rot 134:sc= 0.182 USER MOD Single : B 140 THR OG1 : rot 180:sc=-0.00629 USER MOD Single : B 142 TYR OH : rot -102:sc= 0.598 USER MOD Single : B 145 SER OG : rot -99:sc= 1.19 USER MOD Single : B 146 ASN : amide:sc= -1.45 K(o=-1.4,f=-5.8!) USER MOD Single : B 147 TYR OH : rot -108:sc= 0.801 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -11.084 -2.770 -21.906 1.00 0.00 N ATOM 70 CA LEU A 95 -10.414 -2.732 -20.578 1.00 0.00 C ATOM 71 C LEU A 95 -8.962 -2.274 -20.752 1.00 0.00 C ATOM 72 O LEU A 95 -8.394 -2.413 -21.817 1.00 0.00 O ATOM 73 CB LEU A 95 -10.441 -4.127 -19.951 1.00 0.00 C ATOM 74 CG LEU A 95 -11.829 -4.740 -20.135 1.00 0.00 C ATOM 75 CD1 LEU A 95 -11.732 -5.969 -21.042 1.00 0.00 C ATOM 76 CD2 LEU A 95 -12.384 -5.157 -18.772 1.00 0.00 C ATOM 0 HA LEU A 95 -10.939 -2.034 -19.926 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.687 -4.761 -20.416 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.196 -4.066 -18.891 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.492 -4.005 -20.591 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.723 -6.405 -21.172 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -11.335 -5.674 -22.013 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.069 -6.705 -20.588 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.374 -5.595 -18.901 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.719 -5.891 -18.318 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.455 -4.283 -18.125 1.00 0.00 H new ATOM 88 N PRO A 96 -8.407 -1.738 -19.696 1.00 0.00 N ATOM 89 CA PRO A 96 -7.018 -1.246 -19.703 1.00 0.00 C ATOM 90 C PRO A 96 -6.052 -2.384 -20.040 1.00 0.00 C ATOM 91 O PRO A 96 -5.964 -3.368 -19.333 1.00 0.00 O ATOM 92 CB PRO A 96 -6.774 -0.738 -18.275 1.00 0.00 C ATOM 93 CG PRO A 96 -8.077 -0.961 -17.466 1.00 0.00 C ATOM 94 CD PRO A 96 -9.116 -1.577 -18.415 1.00 0.00 C ATOM 0 HA PRO A 96 -6.859 -0.467 -20.449 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.943 -1.273 -17.816 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.507 0.319 -18.286 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.893 -1.622 -16.619 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.442 -0.017 -17.060 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.476 -2.535 -18.039 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.986 -0.929 -18.523 1.00 0.00 H new ATOM 238 N LEU B 86 -19.374 -8.054 -2.689 1.00 0.00 N ATOM 239 CA LEU B 86 -18.149 -7.266 -2.372 1.00 0.00 C ATOM 240 C LEU B 86 -17.015 -7.661 -3.319 1.00 0.00 C ATOM 241 O LEU B 86 -16.684 -8.822 -3.458 1.00 0.00 O ATOM 242 CB LEU B 86 -17.724 -7.540 -0.928 1.00 0.00 C ATOM 243 CG LEU B 86 -18.083 -6.341 -0.050 1.00 0.00 C ATOM 244 CD1 LEU B 86 -17.241 -5.133 -0.464 1.00 0.00 C ATOM 245 CD2 LEU B 86 -19.567 -6.010 -0.225 1.00 0.00 C ATOM 0 HA LEU B 86 -18.366 -6.205 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -18.220 -8.437 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.651 -7.727 -0.884 1.00 0.00 H new ATOM 0 HG LEU B 86 -17.882 -6.582 0.994 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -17.498 -4.279 0.162 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -16.184 -5.368 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -17.441 -4.891 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -19.825 -5.155 0.400 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -19.765 -5.769 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -20.169 -6.870 0.069 1.00 0.00 H new ATOM 257 N PHE B 87 -16.408 -6.700 -3.960 1.00 0.00 N ATOM 258 CA PHE B 87 -15.285 -7.011 -4.889 1.00 0.00 C ATOM 259 C PHE B 87 -14.071 -6.172 -4.496 1.00 0.00 C ATOM 260 O PHE B 87 -14.147 -5.320 -3.632 1.00 0.00 O ATOM 261 CB PHE B 87 -15.690 -6.668 -6.326 1.00 0.00 C ATOM 262 CG PHE B 87 -16.714 -7.662 -6.816 1.00 0.00 C ATOM 263 CD1 PHE B 87 -18.050 -7.549 -6.411 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.328 -8.697 -7.674 1.00 0.00 C ATOM 265 CE1 PHE B 87 -18.999 -8.473 -6.865 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.276 -9.620 -8.129 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.612 -9.508 -7.725 1.00 0.00 C ATOM 0 H PHE B 87 -16.642 -5.710 -3.880 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.044 -8.072 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -16.100 -5.659 -6.368 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.814 -6.684 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.348 -6.750 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.298 -8.784 -7.985 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -20.029 -8.387 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -16.977 -10.419 -8.792 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.344 -10.220 -8.077 1.00 0.00 H new ATOM 277 N VAL B 88 -12.955 -6.395 -5.127 1.00 0.00 N ATOM 278 CA VAL B 88 -11.743 -5.601 -4.792 1.00 0.00 C ATOM 279 C VAL B 88 -10.962 -5.320 -6.071 1.00 0.00 C ATOM 280 O VAL B 88 -10.983 -6.096 -7.007 1.00 0.00 O ATOM 281 CB VAL B 88 -10.860 -6.381 -3.818 1.00 0.00 C ATOM 282 CG1 VAL B 88 -10.061 -5.403 -2.954 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.738 -7.253 -2.919 1.00 0.00 C ATOM 0 H VAL B 88 -12.829 -7.093 -5.860 1.00 0.00 H new ATOM 0 HA VAL B 88 -12.043 -4.662 -4.326 1.00 0.00 H new ATOM 0 HB VAL B 88 -10.173 -7.013 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -9.432 -5.961 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.434 -4.782 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.747 -4.769 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -11.108 -7.809 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -12.426 -6.620 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -12.306 -7.952 -3.533 1.00 0.00 H new ATOM 293 N ALA B 89 -10.274 -4.215 -6.121 1.00 0.00 N ATOM 294 CA ALA B 89 -9.493 -3.883 -7.342 1.00 0.00 C ATOM 295 C ALA B 89 -8.179 -4.665 -7.334 1.00 0.00 C ATOM 296 O ALA B 89 -7.298 -4.408 -6.538 1.00 0.00 O ATOM 297 CB ALA B 89 -9.197 -2.383 -7.368 1.00 0.00 C ATOM 0 H ALA B 89 -10.219 -3.528 -5.369 1.00 0.00 H new ATOM 0 HA ALA B 89 -10.070 -4.152 -8.227 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.624 -2.141 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -10.135 -1.827 -7.375 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.621 -2.111 -6.484 1.00 0.00 H new ATOM 303 N LEU B 100 -8.043 -5.622 -8.211 1.00 0.00 N ATOM 304 CA LEU B 100 -6.788 -6.422 -8.252 1.00 0.00 C ATOM 305 C LEU B 100 -5.678 -5.599 -8.909 1.00 0.00 C ATOM 306 O LEU B 100 -4.524 -5.980 -8.906 1.00 0.00 O ATOM 307 CB LEU B 100 -7.023 -7.698 -9.063 1.00 0.00 C ATOM 308 CG LEU B 100 -8.358 -8.323 -8.660 1.00 0.00 C ATOM 309 CD1 LEU B 100 -9.213 -8.549 -9.908 1.00 0.00 C ATOM 310 CD2 LEU B 100 -8.103 -9.664 -7.970 1.00 0.00 C ATOM 0 H LEU B 100 -8.747 -5.884 -8.901 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.493 -6.685 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.024 -7.469 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.212 -8.405 -8.890 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.881 -7.654 -7.977 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -10.165 -8.995 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.394 -7.595 -10.403 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.690 -9.219 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -9.054 -10.112 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.580 -10.332 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.492 -9.506 -7.081 1.00 0.00 H new ATOM 322 N TYR B 101 -6.017 -4.474 -9.477 1.00 0.00 N ATOM 323 CA TYR B 101 -4.982 -3.630 -10.137 1.00 0.00 C ATOM 324 C TYR B 101 -5.229 -2.159 -9.801 1.00 0.00 C ATOM 325 O TYR B 101 -6.236 -1.806 -9.219 1.00 0.00 O ATOM 326 CB TYR B 101 -5.064 -3.824 -11.653 1.00 0.00 C ATOM 327 CG TYR B 101 -3.673 -3.941 -12.226 1.00 0.00 C ATOM 328 CD1 TYR B 101 -3.032 -5.185 -12.262 1.00 0.00 C ATOM 329 CD2 TYR B 101 -3.025 -2.806 -12.725 1.00 0.00 C ATOM 330 CE1 TYR B 101 -1.743 -5.292 -12.797 1.00 0.00 C ATOM 331 CE2 TYR B 101 -1.736 -2.912 -13.260 1.00 0.00 C ATOM 332 CZ TYR B 101 -1.094 -4.155 -13.297 1.00 0.00 C ATOM 333 OH TYR B 101 0.176 -4.260 -13.824 1.00 0.00 O ATOM 0 H TYR B 101 -6.967 -4.103 -9.512 1.00 0.00 H new ATOM 0 HA TYR B 101 -3.994 -3.922 -9.781 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.640 -4.720 -11.884 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -5.586 -2.983 -12.109 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -3.532 -6.062 -11.877 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -3.520 -1.847 -12.697 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -1.248 -6.252 -12.824 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -1.237 -2.035 -13.644 1.00 0.00 H new ATOM 0 HH TYR B 101 0.479 -3.378 -14.126 1.00 0.00 H new ATOM 343 N ASP B 102 -4.321 -1.297 -10.166 1.00 0.00 N ATOM 344 CA ASP B 102 -4.506 0.151 -9.871 1.00 0.00 C ATOM 345 C ASP B 102 -5.091 0.847 -11.102 1.00 0.00 C ATOM 346 O ASP B 102 -5.132 0.291 -12.180 1.00 0.00 O ATOM 347 CB ASP B 102 -3.154 0.781 -9.522 1.00 0.00 C ATOM 348 CG ASP B 102 -2.076 0.235 -10.461 1.00 0.00 C ATOM 349 OD1 ASP B 102 -1.569 -0.840 -10.186 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.777 0.902 -11.438 1.00 0.00 O ATOM 0 H ASP B 102 -3.458 -1.533 -10.656 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.186 0.267 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -3.213 1.866 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -2.895 0.560 -8.487 1.00 0.00 H new ATOM 355 N TYR B 103 -5.547 2.061 -10.948 1.00 0.00 N ATOM 356 CA TYR B 103 -6.132 2.788 -12.110 1.00 0.00 C ATOM 357 C TYR B 103 -6.238 4.279 -11.776 1.00 0.00 C ATOM 358 O TYR B 103 -6.339 4.661 -10.627 1.00 0.00 O ATOM 359 CB TYR B 103 -7.524 2.230 -12.410 1.00 0.00 C ATOM 360 CG TYR B 103 -8.015 2.783 -13.726 1.00 0.00 C ATOM 361 CD1 TYR B 103 -7.469 2.319 -14.927 1.00 0.00 C ATOM 362 CD2 TYR B 103 -9.018 3.760 -13.744 1.00 0.00 C ATOM 363 CE1 TYR B 103 -7.925 2.832 -16.147 1.00 0.00 C ATOM 364 CE2 TYR B 103 -9.473 4.273 -14.964 1.00 0.00 C ATOM 365 CZ TYR B 103 -8.927 3.809 -16.165 1.00 0.00 C ATOM 366 OH TYR B 103 -9.377 4.314 -17.368 1.00 0.00 O ATOM 0 H TYR B 103 -5.540 2.579 -10.070 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.493 2.656 -12.983 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.490 1.141 -12.451 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.215 2.498 -11.610 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -6.696 1.565 -14.913 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -9.440 4.118 -12.817 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -7.504 2.474 -17.075 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -10.246 5.027 -14.978 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.074 4.982 -17.202 1.00 0.00 H new ATOM 376 N GLU B 104 -6.215 5.125 -12.771 1.00 0.00 N ATOM 377 CA GLU B 104 -6.314 6.589 -12.508 1.00 0.00 C ATOM 378 C GLU B 104 -7.488 7.172 -13.297 1.00 0.00 C ATOM 379 O GLU B 104 -7.464 7.236 -14.509 1.00 0.00 O ATOM 380 CB GLU B 104 -5.016 7.273 -12.944 1.00 0.00 C ATOM 381 CG GLU B 104 -4.745 6.961 -14.418 1.00 0.00 C ATOM 382 CD GLU B 104 -4.766 8.257 -15.230 1.00 0.00 C ATOM 383 OE1 GLU B 104 -5.214 9.260 -14.699 1.00 0.00 O ATOM 384 OE2 GLU B 104 -4.334 8.225 -16.370 1.00 0.00 O ATOM 0 H GLU B 104 -6.132 4.865 -13.754 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.474 6.757 -11.443 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.093 8.350 -12.797 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.185 6.926 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -3.778 6.469 -14.524 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -5.497 6.270 -14.798 1.00 0.00 H new ATOM 391 N ALA B 105 -8.518 7.597 -12.617 1.00 0.00 N ATOM 392 CA ALA B 105 -9.693 8.173 -13.326 1.00 0.00 C ATOM 393 C ALA B 105 -9.255 9.392 -14.142 1.00 0.00 C ATOM 394 O ALA B 105 -8.799 10.380 -13.602 1.00 0.00 O ATOM 395 CB ALA B 105 -10.745 8.600 -12.299 1.00 0.00 C ATOM 0 H ALA B 105 -8.595 7.570 -11.600 1.00 0.00 H new ATOM 0 HA ALA B 105 -10.116 7.424 -13.995 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.607 9.022 -12.815 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -11.059 7.733 -11.718 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.319 9.349 -11.632 1.00 0.00 H new ATOM 401 N ARG B 106 -9.389 9.331 -15.438 1.00 0.00 N ATOM 402 CA ARG B 106 -8.982 10.489 -16.285 1.00 0.00 C ATOM 403 C ARG B 106 -10.164 11.447 -16.436 1.00 0.00 C ATOM 404 O ARG B 106 -10.131 12.369 -17.227 1.00 0.00 O ATOM 405 CB ARG B 106 -8.554 9.987 -17.666 1.00 0.00 C ATOM 406 CG ARG B 106 -7.561 8.835 -17.508 1.00 0.00 C ATOM 407 CD ARG B 106 -7.532 8.007 -18.794 1.00 0.00 C ATOM 408 NE ARG B 106 -6.282 7.198 -18.835 1.00 0.00 N ATOM 409 CZ ARG B 106 -5.825 6.761 -19.977 1.00 0.00 C ATOM 410 NH1 ARG B 106 -6.648 6.290 -20.873 1.00 0.00 N ATOM 411 NH2 ARG B 106 -4.543 6.796 -20.223 1.00 0.00 N ATOM 0 H ARG B 106 -9.762 8.530 -15.948 1.00 0.00 H new ATOM 0 HA ARG B 106 -8.148 11.009 -15.814 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -9.426 9.654 -18.229 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -8.098 10.798 -18.234 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.566 9.225 -17.291 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -7.848 8.207 -16.665 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -8.403 7.353 -18.838 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -7.582 8.663 -19.663 1.00 0.00 H new ATOM 0 HE ARG B 106 -5.783 6.986 -17.971 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -7.649 6.263 -20.681 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -6.290 5.949 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -3.899 7.165 -19.523 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -4.185 6.455 -21.115 1.00 0.00 H new ATOM 425 N THR B 107 -11.212 11.235 -15.687 1.00 0.00 N ATOM 426 CA THR B 107 -12.397 12.133 -15.792 1.00 0.00 C ATOM 427 C THR B 107 -13.252 12.003 -14.531 1.00 0.00 C ATOM 428 O THR B 107 -12.841 11.420 -13.546 1.00 0.00 O ATOM 429 CB THR B 107 -13.229 11.737 -17.014 1.00 0.00 C ATOM 430 OG1 THR B 107 -13.092 10.342 -17.245 1.00 0.00 O ATOM 431 CG2 THR B 107 -12.739 12.510 -18.238 1.00 0.00 C ATOM 0 H THR B 107 -11.299 10.479 -15.007 1.00 0.00 H new ATOM 0 HA THR B 107 -12.061 13.165 -15.897 1.00 0.00 H new ATOM 0 HB THR B 107 -14.277 11.974 -16.834 1.00 0.00 H new ATOM 0 HG1 THR B 107 -13.170 9.860 -16.395 1.00 0.00 H new ATOM 0 HG21 THR B 107 -13.332 12.228 -19.108 1.00 0.00 H new ATOM 0 HG22 THR B 107 -12.844 13.580 -18.059 1.00 0.00 H new ATOM 0 HG23 THR B 107 -11.691 12.274 -18.421 1.00 0.00 H new ATOM 439 N GLU B 108 -14.441 12.543 -14.551 1.00 0.00 N ATOM 440 CA GLU B 108 -15.324 12.453 -13.354 1.00 0.00 C ATOM 441 C GLU B 108 -16.205 11.205 -13.456 1.00 0.00 C ATOM 442 O GLU B 108 -17.064 10.972 -12.629 1.00 0.00 O ATOM 443 CB GLU B 108 -16.209 13.700 -13.280 1.00 0.00 C ATOM 444 CG GLU B 108 -17.212 13.684 -14.435 1.00 0.00 C ATOM 445 CD GLU B 108 -18.613 13.393 -13.892 1.00 0.00 C ATOM 446 OE1 GLU B 108 -18.962 12.227 -13.806 1.00 0.00 O ATOM 447 OE2 GLU B 108 -19.312 14.340 -13.568 1.00 0.00 O ATOM 0 H GLU B 108 -14.839 13.043 -15.346 1.00 0.00 H new ATOM 0 HA GLU B 108 -14.710 12.388 -12.455 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.737 13.728 -12.327 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -15.594 14.599 -13.331 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -17.203 14.644 -14.952 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -16.929 12.926 -15.166 1.00 0.00 H new ATOM 454 N ASP B 109 -16.001 10.398 -14.463 1.00 0.00 N ATOM 455 CA ASP B 109 -16.830 9.167 -14.612 1.00 0.00 C ATOM 456 C ASP B 109 -16.094 7.980 -13.989 1.00 0.00 C ATOM 457 O ASP B 109 -16.551 7.385 -13.033 1.00 0.00 O ATOM 458 CB ASP B 109 -17.076 8.894 -16.096 1.00 0.00 C ATOM 459 CG ASP B 109 -18.045 9.940 -16.654 1.00 0.00 C ATOM 460 OD1 ASP B 109 -19.193 9.935 -16.242 1.00 0.00 O ATOM 461 OD2 ASP B 109 -17.620 10.728 -17.484 1.00 0.00 O ATOM 0 H ASP B 109 -15.297 10.538 -15.188 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.785 9.308 -14.107 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -16.134 8.927 -16.644 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.488 7.894 -16.229 1.00 0.00 H new ATOM 466 N ASP B 110 -14.955 7.628 -14.522 1.00 0.00 N ATOM 467 CA ASP B 110 -14.192 6.479 -13.956 1.00 0.00 C ATOM 468 C ASP B 110 -13.779 6.804 -12.520 1.00 0.00 C ATOM 469 O ASP B 110 -14.149 7.823 -11.974 1.00 0.00 O ATOM 470 CB ASP B 110 -12.941 6.226 -14.801 1.00 0.00 C ATOM 471 CG ASP B 110 -13.267 6.441 -16.280 1.00 0.00 C ATOM 472 OD1 ASP B 110 -13.785 5.521 -16.891 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.993 7.521 -16.775 1.00 0.00 O ATOM 0 H ASP B 110 -14.521 8.086 -15.323 1.00 0.00 H new ATOM 0 HA ASP B 110 -14.819 5.588 -13.964 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.140 6.899 -14.493 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.582 5.209 -14.642 1.00 0.00 H new ATOM 478 N LEU B 111 -13.013 5.945 -11.906 1.00 0.00 N ATOM 479 CA LEU B 111 -12.578 6.208 -10.505 1.00 0.00 C ATOM 480 C LEU B 111 -11.055 6.082 -10.409 1.00 0.00 C ATOM 481 O LEU B 111 -10.410 5.538 -11.284 1.00 0.00 O ATOM 482 CB LEU B 111 -13.234 5.191 -9.569 1.00 0.00 C ATOM 483 CG LEU B 111 -14.743 5.170 -9.818 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.261 3.733 -9.721 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.444 6.035 -8.769 1.00 0.00 C ATOM 0 H LEU B 111 -12.670 5.075 -12.312 1.00 0.00 H new ATOM 0 HA LEU B 111 -12.877 7.215 -10.215 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -12.813 4.200 -9.738 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.029 5.451 -8.531 1.00 0.00 H new ATOM 0 HG LEU B 111 -14.950 5.563 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.336 3.721 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -14.763 3.115 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.053 3.338 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.520 6.021 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.234 5.642 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.078 7.059 -8.839 1.00 0.00 H new ATOM 497 N SER B 112 -10.478 6.580 -9.351 1.00 0.00 N ATOM 498 CA SER B 112 -8.998 6.490 -9.193 1.00 0.00 C ATOM 499 C SER B 112 -8.676 5.728 -7.906 1.00 0.00 C ATOM 500 O SER B 112 -9.052 6.132 -6.824 1.00 0.00 O ATOM 501 CB SER B 112 -8.405 7.898 -9.116 1.00 0.00 C ATOM 502 OG SER B 112 -7.027 7.847 -9.460 1.00 0.00 O ATOM 0 H SER B 112 -10.968 7.046 -8.587 1.00 0.00 H new ATOM 0 HA SER B 112 -8.569 5.965 -10.047 1.00 0.00 H new ATOM 0 HB2 SER B 112 -8.936 8.566 -9.794 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.526 8.301 -8.111 1.00 0.00 H new ATOM 0 HG SER B 112 -6.645 8.748 -9.413 1.00 0.00 H new ATOM 508 N PHE B 113 -7.988 4.624 -8.013 1.00 0.00 N ATOM 509 CA PHE B 113 -7.653 3.839 -6.792 1.00 0.00 C ATOM 510 C PHE B 113 -6.415 2.979 -7.051 1.00 0.00 C ATOM 511 O PHE B 113 -5.739 3.128 -8.050 1.00 0.00 O ATOM 512 CB PHE B 113 -8.831 2.931 -6.439 1.00 0.00 C ATOM 513 CG PHE B 113 -9.172 2.074 -7.634 1.00 0.00 C ATOM 514 CD1 PHE B 113 -8.497 0.865 -7.843 1.00 0.00 C ATOM 515 CD2 PHE B 113 -10.159 2.490 -8.535 1.00 0.00 C ATOM 516 CE1 PHE B 113 -8.811 0.073 -8.955 1.00 0.00 C ATOM 517 CE2 PHE B 113 -10.473 1.698 -9.645 1.00 0.00 C ATOM 518 CZ PHE B 113 -9.798 0.489 -9.856 1.00 0.00 C ATOM 0 H PHE B 113 -7.645 4.233 -8.890 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.451 4.523 -5.968 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.578 2.302 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.694 3.531 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -7.735 0.544 -7.148 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -10.679 3.423 -8.373 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -8.291 -0.860 -9.117 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -11.236 2.019 -10.339 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.039 -0.122 -10.713 1.00 0.00 H new ATOM 528 N HIS B 114 -6.117 2.076 -6.157 1.00 0.00 N ATOM 529 CA HIS B 114 -4.927 1.201 -6.343 1.00 0.00 C ATOM 530 C HIS B 114 -5.274 -0.224 -5.904 1.00 0.00 C ATOM 531 O HIS B 114 -6.167 -0.438 -5.108 1.00 0.00 O ATOM 532 CB HIS B 114 -3.769 1.729 -5.494 1.00 0.00 C ATOM 533 CG HIS B 114 -3.279 3.031 -6.067 1.00 0.00 C ATOM 534 ND1 HIS B 114 -3.669 4.258 -5.553 1.00 0.00 N ATOM 535 CD2 HIS B 114 -2.431 3.314 -7.109 1.00 0.00 C ATOM 536 CE1 HIS B 114 -3.060 5.213 -6.280 1.00 0.00 C ATOM 537 NE2 HIS B 114 -2.294 4.692 -7.242 1.00 0.00 N ATOM 0 H HIS B 114 -6.649 1.907 -5.303 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.635 1.199 -7.393 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.095 1.873 -4.464 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -2.958 1.001 -5.473 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -1.944 2.578 -7.731 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -3.177 6.273 -6.106 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -1.730 5.196 -7.927 1.00 0.00 H new ATOM 545 N LYS B 115 -4.578 -1.200 -6.417 1.00 0.00 N ATOM 546 CA LYS B 115 -4.870 -2.609 -6.031 1.00 0.00 C ATOM 547 C LYS B 115 -4.995 -2.713 -4.509 1.00 0.00 C ATOM 548 O LYS B 115 -4.121 -2.295 -3.774 1.00 0.00 O ATOM 549 CB LYS B 115 -3.732 -3.512 -6.511 1.00 0.00 C ATOM 550 CG LYS B 115 -2.424 -3.072 -5.853 1.00 0.00 C ATOM 551 CD LYS B 115 -1.399 -2.727 -6.935 1.00 0.00 C ATOM 552 CE LYS B 115 -1.164 -3.953 -7.821 1.00 0.00 C ATOM 553 NZ LYS B 115 0.000 -4.725 -7.302 1.00 0.00 N ATOM 0 H LYS B 115 -3.819 -1.083 -7.088 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.807 -2.923 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -3.947 -4.551 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -3.643 -3.458 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -2.599 -2.207 -5.214 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -2.040 -3.867 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -1.757 -1.892 -7.538 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -0.462 -2.411 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -2.054 -4.582 -7.834 1.00 0.00 H new ATOM 0 HE3 LYS B 115 -0.978 -3.642 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 0.160 -5.558 -7.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 0.848 -4.123 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 -0.195 -5.034 -6.328 1.00 0.00 H new ATOM 567 N GLY B 116 -6.075 -3.270 -4.029 1.00 0.00 N ATOM 568 CA GLY B 116 -6.253 -3.405 -2.555 1.00 0.00 C ATOM 569 C GLY B 116 -7.471 -2.595 -2.103 1.00 0.00 C ATOM 570 O GLY B 116 -8.004 -2.807 -1.032 1.00 0.00 O ATOM 0 H GLY B 116 -6.841 -3.637 -4.594 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.384 -4.454 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.360 -3.055 -2.038 1.00 0.00 H new ATOM 574 N GLU B 117 -7.914 -1.667 -2.906 1.00 0.00 N ATOM 575 CA GLU B 117 -9.097 -0.848 -2.515 1.00 0.00 C ATOM 576 C GLU B 117 -10.371 -1.673 -2.698 1.00 0.00 C ATOM 577 O GLU B 117 -10.557 -2.332 -3.702 1.00 0.00 O ATOM 578 CB GLU B 117 -9.169 0.400 -3.397 1.00 0.00 C ATOM 579 CG GLU B 117 -9.322 1.642 -2.516 1.00 0.00 C ATOM 580 CD GLU B 117 -10.465 1.428 -1.521 1.00 0.00 C ATOM 581 OE1 GLU B 117 -11.562 1.126 -1.965 1.00 0.00 O ATOM 582 OE2 GLU B 117 -10.225 1.568 -0.333 1.00 0.00 O ATOM 0 H GLU B 117 -7.509 -1.440 -3.814 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.002 -0.550 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.267 0.481 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -10.011 0.324 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.393 1.838 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.524 2.516 -3.135 1.00 0.00 H new ATOM 589 N LYS B 118 -11.252 -1.644 -1.736 1.00 0.00 N ATOM 590 CA LYS B 118 -12.514 -2.426 -1.859 1.00 0.00 C ATOM 591 C LYS B 118 -13.493 -1.668 -2.756 1.00 0.00 C ATOM 592 O LYS B 118 -13.371 -0.476 -2.953 1.00 0.00 O ATOM 593 CB LYS B 118 -13.133 -2.616 -0.472 1.00 0.00 C ATOM 594 CG LYS B 118 -12.748 -3.991 0.075 1.00 0.00 C ATOM 595 CD LYS B 118 -11.579 -3.842 1.050 1.00 0.00 C ATOM 596 CE LYS B 118 -11.192 -5.218 1.594 1.00 0.00 C ATOM 597 NZ LYS B 118 -9.822 -5.153 2.178 1.00 0.00 N ATOM 0 H LYS B 118 -11.152 -1.113 -0.871 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.299 -3.401 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -12.785 -1.834 0.203 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.218 -2.527 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -13.601 -4.445 0.579 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.471 -4.655 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -10.727 -3.385 0.546 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -11.857 -3.180 1.870 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -11.908 -5.536 2.352 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -11.224 -5.959 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -9.558 -6.088 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -9.144 -4.868 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -9.807 -4.458 2.951 1.00 0.00 H new ATOM 611 N PHE B 119 -14.462 -2.348 -3.307 1.00 0.00 N ATOM 612 CA PHE B 119 -15.439 -1.657 -4.193 1.00 0.00 C ATOM 613 C PHE B 119 -16.799 -2.356 -4.112 1.00 0.00 C ATOM 614 O PHE B 119 -16.893 -3.512 -3.751 1.00 0.00 O ATOM 615 CB PHE B 119 -14.937 -1.703 -5.638 1.00 0.00 C ATOM 616 CG PHE B 119 -13.956 -0.581 -5.876 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.272 0.723 -5.477 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.731 -0.843 -6.502 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.365 1.765 -5.702 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.824 0.199 -6.730 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.141 1.502 -6.330 1.00 0.00 C ATOM 0 H PHE B 119 -14.618 -3.348 -3.182 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.544 -0.621 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.460 -2.663 -5.836 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.777 -1.616 -6.327 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.217 0.925 -4.995 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.486 -1.849 -6.809 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.609 2.770 -5.392 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.880 -0.003 -7.214 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.441 2.306 -6.506 1.00 0.00 H new ATOM 631 N GLN B 120 -17.851 -1.662 -4.452 1.00 0.00 N ATOM 632 CA GLN B 120 -19.206 -2.280 -4.406 1.00 0.00 C ATOM 633 C GLN B 120 -19.791 -2.315 -5.820 1.00 0.00 C ATOM 634 O GLN B 120 -20.225 -1.311 -6.349 1.00 0.00 O ATOM 635 CB GLN B 120 -20.112 -1.451 -3.493 1.00 0.00 C ATOM 636 CG GLN B 120 -20.106 -2.058 -2.088 1.00 0.00 C ATOM 637 CD GLN B 120 -21.442 -2.753 -1.824 1.00 0.00 C ATOM 638 OE1 GLN B 120 -21.898 -3.544 -2.627 1.00 0.00 O ATOM 639 NE2 GLN B 120 -22.096 -2.489 -0.726 1.00 0.00 N ATOM 0 H GLN B 120 -17.830 -0.690 -4.761 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.135 -3.296 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.765 -0.419 -3.457 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.127 -1.432 -3.889 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.288 -2.772 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.937 -1.279 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -21.714 -1.826 -0.052 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.989 -2.946 -0.542 1.00 0.00 H new ATOM 648 N ILE B 121 -19.793 -3.463 -6.440 1.00 0.00 N ATOM 649 CA ILE B 121 -20.335 -3.565 -7.825 1.00 0.00 C ATOM 650 C ILE B 121 -21.862 -3.471 -7.801 1.00 0.00 C ATOM 651 O ILE B 121 -22.528 -4.183 -7.075 1.00 0.00 O ATOM 652 CB ILE B 121 -19.917 -4.905 -8.435 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.391 -5.007 -8.444 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.440 -4.999 -9.870 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.799 -3.728 -9.039 1.00 0.00 C ATOM 0 H ILE B 121 -19.442 -4.336 -6.047 1.00 0.00 H new ATOM 0 HA ILE B 121 -19.938 -2.746 -8.425 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.334 -5.719 -7.842 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -18.020 -5.155 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -18.077 -5.872 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.142 -5.953 -10.304 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.528 -4.926 -9.866 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -20.023 -4.185 -10.463 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.711 -3.799 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.161 -3.600 -10.059 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.102 -2.872 -8.436 1.00 0.00 H new ATOM 667 N LEU B 122 -22.421 -2.604 -8.602 1.00 0.00 N ATOM 668 CA LEU B 122 -23.905 -2.467 -8.644 1.00 0.00 C ATOM 669 C LEU B 122 -24.397 -2.867 -10.034 1.00 0.00 C ATOM 670 O LEU B 122 -25.393 -3.545 -10.185 1.00 0.00 O ATOM 671 CB LEU B 122 -24.315 -1.014 -8.367 1.00 0.00 C ATOM 672 CG LEU B 122 -23.248 -0.306 -7.526 1.00 0.00 C ATOM 673 CD1 LEU B 122 -23.410 1.208 -7.674 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.421 -0.691 -6.056 1.00 0.00 C ATOM 0 H LEU B 122 -21.912 -1.983 -9.231 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.346 -3.111 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.455 -0.484 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.271 -0.993 -7.844 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.257 -0.605 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -22.652 1.715 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.292 1.486 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.401 1.503 -7.329 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.662 -0.188 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.412 -0.390 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.313 -1.770 -5.947 1.00 0.00 H new ATOM 686 N ASN B 123 -23.697 -2.447 -11.050 1.00 0.00 N ATOM 687 CA ASN B 123 -24.106 -2.794 -12.439 1.00 0.00 C ATOM 688 C ASN B 123 -22.911 -3.396 -13.175 1.00 0.00 C ATOM 689 O ASN B 123 -21.949 -2.716 -13.476 1.00 0.00 O ATOM 690 CB ASN B 123 -24.568 -1.530 -13.166 1.00 0.00 C ATOM 691 CG ASN B 123 -26.091 -1.415 -13.088 1.00 0.00 C ATOM 692 OD1 ASN B 123 -26.612 -0.464 -12.542 1.00 0.00 O ATOM 693 ND2 ASN B 123 -26.832 -2.351 -13.617 1.00 0.00 N ATOM 0 H ASN B 123 -22.855 -1.876 -10.978 1.00 0.00 H new ATOM 0 HA ASN B 123 -24.924 -3.514 -12.413 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -24.104 -0.651 -12.717 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.249 -1.562 -14.208 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -27.849 -2.283 -13.572 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -26.394 -3.150 -14.076 1.00 0.00 H new ATOM 700 N SER B 124 -22.957 -4.666 -13.466 1.00 0.00 N ATOM 701 CA SER B 124 -21.816 -5.303 -14.180 1.00 0.00 C ATOM 702 C SER B 124 -22.317 -5.946 -15.473 1.00 0.00 C ATOM 703 O SER B 124 -21.711 -6.858 -16.000 1.00 0.00 O ATOM 704 CB SER B 124 -21.188 -6.371 -13.285 1.00 0.00 C ATOM 705 OG SER B 124 -22.211 -7.018 -12.538 1.00 0.00 O ATOM 0 H SER B 124 -23.733 -5.289 -13.241 1.00 0.00 H new ATOM 0 HA SER B 124 -21.069 -4.546 -14.420 1.00 0.00 H new ATOM 0 HB2 SER B 124 -20.649 -7.099 -13.891 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.462 -5.916 -12.611 1.00 0.00 H new ATOM 0 HG SER B 124 -21.812 -7.705 -11.964 1.00 0.00 H new ATOM 744 N ASP B 128 -18.215 -3.936 -20.837 1.00 0.00 N ATOM 745 CA ASP B 128 -17.039 -4.548 -20.156 1.00 0.00 C ATOM 746 C ASP B 128 -16.670 -3.716 -18.926 1.00 0.00 C ATOM 747 O ASP B 128 -15.965 -4.169 -18.046 1.00 0.00 O ATOM 748 CB ASP B 128 -15.855 -4.578 -21.123 1.00 0.00 C ATOM 749 CG ASP B 128 -15.229 -5.973 -21.122 1.00 0.00 C ATOM 750 OD1 ASP B 128 -14.665 -6.347 -20.108 1.00 0.00 O ATOM 751 OD2 ASP B 128 -15.326 -6.644 -22.136 1.00 0.00 O ATOM 0 HA ASP B 128 -17.285 -5.564 -19.846 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -16.186 -4.318 -22.128 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -15.113 -3.835 -20.829 1.00 0.00 H new ATOM 756 N TRP B 129 -17.141 -2.502 -18.856 1.00 0.00 N ATOM 757 CA TRP B 129 -16.815 -1.646 -17.683 1.00 0.00 C ATOM 758 C TRP B 129 -18.022 -1.591 -16.744 1.00 0.00 C ATOM 759 O TRP B 129 -19.114 -1.235 -17.140 1.00 0.00 O ATOM 760 CB TRP B 129 -16.461 -0.239 -18.165 1.00 0.00 C ATOM 761 CG TRP B 129 -15.066 -0.248 -18.705 1.00 0.00 C ATOM 762 CD1 TRP B 129 -14.640 -1.013 -19.737 1.00 0.00 C ATOM 763 CD2 TRP B 129 -13.909 0.518 -18.259 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.296 -0.767 -19.950 1.00 0.00 N ATOM 765 CE2 TRP B 129 -12.800 0.170 -19.066 1.00 0.00 C ATOM 766 CE3 TRP B 129 -13.716 1.471 -17.242 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.545 0.746 -18.873 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.452 2.054 -17.046 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.369 1.690 -17.858 1.00 0.00 C ATOM 0 H TRP B 129 -17.737 -2.067 -19.560 1.00 0.00 H new ATOM 0 HA TRP B 129 -15.964 -2.064 -17.146 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.161 0.083 -18.936 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.542 0.473 -17.343 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.250 -1.703 -20.302 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -12.739 -1.223 -20.673 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.543 1.756 -16.609 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -10.715 0.464 -19.504 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.314 2.787 -16.265 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.400 2.139 -17.699 1.00 0.00 H new ATOM 780 N TRP B 130 -17.833 -1.954 -15.504 1.00 0.00 N ATOM 781 CA TRP B 130 -18.970 -1.936 -14.539 1.00 0.00 C ATOM 782 C TRP B 130 -18.937 -0.648 -13.715 1.00 0.00 C ATOM 783 O TRP B 130 -18.024 0.147 -13.815 1.00 0.00 O ATOM 784 CB TRP B 130 -18.855 -3.130 -13.589 1.00 0.00 C ATOM 785 CG TRP B 130 -18.770 -4.399 -14.375 1.00 0.00 C ATOM 786 CD1 TRP B 130 -18.985 -4.507 -15.705 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.459 -5.739 -13.899 1.00 0.00 C ATOM 788 NE1 TRP B 130 -18.823 -5.832 -16.077 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.497 -6.628 -14.997 1.00 0.00 C ATOM 790 CE3 TRP B 130 -18.148 -6.265 -12.631 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -18.238 -7.991 -14.845 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.885 -7.635 -12.473 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.931 -8.497 -13.578 1.00 0.00 C ATOM 0 H TRP B 130 -16.941 -2.262 -15.118 1.00 0.00 H new ATOM 0 HA TRP B 130 -19.905 -1.990 -15.097 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -17.971 -3.022 -12.960 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.718 -3.161 -12.924 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.241 -3.694 -16.369 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -18.931 -6.177 -17.031 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -18.111 -5.610 -11.773 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -18.274 -8.650 -15.700 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.646 -8.027 -11.495 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -17.730 -9.550 -13.451 1.00 0.00 H new ATOM 804 N GLU B 131 -19.924 -0.451 -12.885 1.00 0.00 N ATOM 805 CA GLU B 131 -19.958 0.770 -12.032 1.00 0.00 C ATOM 806 C GLU B 131 -19.740 0.344 -10.579 1.00 0.00 C ATOM 807 O GLU B 131 -20.570 -0.318 -9.988 1.00 0.00 O ATOM 808 CB GLU B 131 -21.319 1.463 -12.161 1.00 0.00 C ATOM 809 CG GLU B 131 -21.944 1.138 -13.521 1.00 0.00 C ATOM 810 CD GLU B 131 -23.181 2.011 -13.738 1.00 0.00 C ATOM 811 OE1 GLU B 131 -23.423 2.876 -12.914 1.00 0.00 O ATOM 812 OE2 GLU B 131 -23.867 1.797 -14.724 1.00 0.00 O ATOM 0 H GLU B 131 -20.712 -1.086 -12.761 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.180 1.465 -12.348 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -21.981 1.135 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.199 2.541 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -21.219 1.312 -14.317 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.218 0.084 -13.564 1.00 0.00 H new ATOM 819 N ALA B 132 -18.628 0.704 -10.002 1.00 0.00 N ATOM 820 CA ALA B 132 -18.367 0.298 -8.594 1.00 0.00 C ATOM 821 C ALA B 132 -18.365 1.527 -7.687 1.00 0.00 C ATOM 822 O ALA B 132 -18.174 2.642 -8.130 1.00 0.00 O ATOM 823 CB ALA B 132 -17.008 -0.400 -8.510 1.00 0.00 C ATOM 0 H ALA B 132 -17.893 1.258 -10.441 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.152 -0.384 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -16.815 -0.698 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.013 -1.283 -9.148 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.227 0.284 -8.842 1.00 0.00 H new ATOM 829 N ARG B 133 -18.580 1.328 -6.416 1.00 0.00 N ATOM 830 CA ARG B 133 -18.593 2.477 -5.470 1.00 0.00 C ATOM 831 C ARG B 133 -17.497 2.280 -4.421 1.00 0.00 C ATOM 832 O ARG B 133 -17.271 1.186 -3.944 1.00 0.00 O ATOM 833 CB ARG B 133 -19.956 2.548 -4.781 1.00 0.00 C ATOM 834 CG ARG B 133 -19.969 3.713 -3.791 1.00 0.00 C ATOM 835 CD ARG B 133 -20.520 3.232 -2.448 1.00 0.00 C ATOM 836 NE ARG B 133 -21.262 4.342 -1.789 1.00 0.00 N ATOM 837 CZ ARG B 133 -22.341 4.087 -1.101 1.00 0.00 C ATOM 838 NH1 ARG B 133 -22.567 2.876 -0.669 1.00 0.00 N ATOM 839 NH2 ARG B 133 -23.191 5.042 -0.843 1.00 0.00 N ATOM 0 H ARG B 133 -18.748 0.416 -5.991 1.00 0.00 H new ATOM 0 HA ARG B 133 -18.412 3.404 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -20.744 2.679 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.161 1.613 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -18.961 4.107 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -20.582 4.527 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -21.180 2.378 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -19.705 2.895 -1.808 1.00 0.00 H new ATOM 0 HE ARG B 133 -20.927 5.302 -1.875 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -21.900 2.130 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -23.410 2.675 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -23.012 5.988 -1.179 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.034 4.843 -0.305 1.00 0.00 H new ATOM 853 N SER B 134 -16.811 3.329 -4.060 1.00 0.00 N ATOM 854 CA SER B 134 -15.730 3.198 -3.043 1.00 0.00 C ATOM 855 C SER B 134 -16.345 3.189 -1.642 1.00 0.00 C ATOM 856 O SER B 134 -17.054 4.099 -1.259 1.00 0.00 O ATOM 857 CB SER B 134 -14.763 4.377 -3.171 1.00 0.00 C ATOM 858 OG SER B 134 -13.426 3.901 -3.082 1.00 0.00 O ATOM 0 H SER B 134 -16.952 4.271 -4.425 1.00 0.00 H new ATOM 0 HA SER B 134 -15.188 2.266 -3.206 1.00 0.00 H new ATOM 0 HB2 SER B 134 -14.917 4.887 -4.122 1.00 0.00 H new ATOM 0 HB3 SER B 134 -14.955 5.106 -2.384 1.00 0.00 H new ATOM 0 HG SER B 134 -12.804 4.654 -3.165 1.00 0.00 H new ATOM 864 N LEU B 135 -16.085 2.165 -0.876 1.00 0.00 N ATOM 865 CA LEU B 135 -16.658 2.094 0.499 1.00 0.00 C ATOM 866 C LEU B 135 -15.913 3.061 1.422 1.00 0.00 C ATOM 867 O LEU B 135 -16.415 3.462 2.452 1.00 0.00 O ATOM 868 CB LEU B 135 -16.510 0.670 1.038 1.00 0.00 C ATOM 869 CG LEU B 135 -17.271 -0.301 0.135 1.00 0.00 C ATOM 870 CD1 LEU B 135 -16.691 -1.707 0.300 1.00 0.00 C ATOM 871 CD2 LEU B 135 -18.750 -0.309 0.528 1.00 0.00 C ATOM 0 H LEU B 135 -15.500 1.373 -1.143 1.00 0.00 H new ATOM 0 HA LEU B 135 -17.712 2.368 0.463 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -15.456 0.394 1.080 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -16.895 0.614 2.056 1.00 0.00 H new ATOM 0 HG LEU B 135 -17.174 0.014 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -17.232 -2.401 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -15.637 -1.701 0.022 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -16.790 -2.022 1.339 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.294 -1.001 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.849 -0.625 1.566 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -19.162 0.693 0.413 1.00 0.00 H new ATOM 883 N THR B 136 -14.716 3.437 1.064 1.00 0.00 N ATOM 884 CA THR B 136 -13.941 4.373 1.926 1.00 0.00 C ATOM 885 C THR B 136 -14.357 5.814 1.623 1.00 0.00 C ATOM 886 O THR B 136 -14.599 6.601 2.516 1.00 0.00 O ATOM 887 CB THR B 136 -12.445 4.206 1.646 1.00 0.00 C ATOM 888 OG1 THR B 136 -12.075 2.849 1.851 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.646 5.104 2.592 1.00 0.00 C ATOM 0 H THR B 136 -14.242 3.137 0.212 1.00 0.00 H new ATOM 0 HA THR B 136 -14.143 4.150 2.974 1.00 0.00 H new ATOM 0 HB THR B 136 -12.233 4.488 0.615 1.00 0.00 H new ATOM 0 HG1 THR B 136 -11.515 2.546 1.106 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.581 4.986 2.393 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.931 6.144 2.434 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.856 4.823 3.624 1.00 0.00 H new ATOM 897 N THR B 137 -14.440 6.167 0.370 1.00 0.00 N ATOM 898 CA THR B 137 -14.838 7.558 0.014 1.00 0.00 C ATOM 899 C THR B 137 -16.348 7.613 -0.232 1.00 0.00 C ATOM 900 O THR B 137 -17.052 8.418 0.345 1.00 0.00 O ATOM 901 CB THR B 137 -14.098 7.990 -1.254 1.00 0.00 C ATOM 902 OG1 THR B 137 -13.842 6.849 -2.062 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.775 8.655 -0.872 1.00 0.00 C ATOM 0 H THR B 137 -14.250 5.553 -0.422 1.00 0.00 H new ATOM 0 HA THR B 137 -14.581 8.230 0.833 1.00 0.00 H new ATOM 0 HB THR B 137 -14.711 8.699 -1.810 1.00 0.00 H new ATOM 0 HG1 THR B 137 -13.058 6.373 -1.717 1.00 0.00 H new ATOM 0 HG21 THR B 137 -12.248 8.963 -1.775 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.973 9.529 -0.252 1.00 0.00 H new ATOM 0 HG23 THR B 137 -12.159 7.948 -0.316 1.00 0.00 H new ATOM 911 N GLY B 138 -16.852 6.762 -1.084 1.00 0.00 N ATOM 912 CA GLY B 138 -18.318 6.767 -1.367 1.00 0.00 C ATOM 913 C GLY B 138 -18.565 7.239 -2.801 1.00 0.00 C ATOM 914 O GLY B 138 -19.683 7.246 -3.278 1.00 0.00 O ATOM 0 H GLY B 138 -16.313 6.064 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.728 5.767 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.832 7.423 -0.664 1.00 0.00 H new ATOM 918 N GLU B 139 -17.530 7.632 -3.495 1.00 0.00 N ATOM 919 CA GLU B 139 -17.709 8.102 -4.897 1.00 0.00 C ATOM 920 C GLU B 139 -18.044 6.910 -5.795 1.00 0.00 C ATOM 921 O GLU B 139 -17.441 5.860 -5.700 1.00 0.00 O ATOM 922 CB GLU B 139 -16.414 8.757 -5.381 1.00 0.00 C ATOM 923 CG GLU B 139 -16.644 10.255 -5.588 1.00 0.00 C ATOM 924 CD GLU B 139 -16.977 10.524 -7.057 1.00 0.00 C ATOM 925 OE1 GLU B 139 -17.937 9.947 -7.542 1.00 0.00 O ATOM 926 OE2 GLU B 139 -16.267 11.302 -7.672 1.00 0.00 O ATOM 0 H GLU B 139 -16.570 7.647 -3.151 1.00 0.00 H new ATOM 0 HA GLU B 139 -18.522 8.827 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -15.619 8.598 -4.652 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -16.088 8.296 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -17.458 10.600 -4.951 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -15.754 10.814 -5.298 1.00 0.00 H new ATOM 933 N THR B 140 -19.001 7.063 -6.669 1.00 0.00 N ATOM 934 CA THR B 140 -19.371 5.938 -7.571 1.00 0.00 C ATOM 935 C THR B 140 -18.910 6.253 -8.994 1.00 0.00 C ATOM 936 O THR B 140 -19.151 7.323 -9.514 1.00 0.00 O ATOM 937 CB THR B 140 -20.890 5.751 -7.558 1.00 0.00 C ATOM 938 OG1 THR B 140 -21.363 5.830 -6.220 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.242 4.384 -8.146 1.00 0.00 C ATOM 0 H THR B 140 -19.542 7.918 -6.797 1.00 0.00 H new ATOM 0 HA THR B 140 -18.889 5.023 -7.226 1.00 0.00 H new ATOM 0 HB THR B 140 -21.359 6.532 -8.156 1.00 0.00 H new ATOM 0 HG1 THR B 140 -22.336 5.712 -6.209 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.324 4.251 -8.136 1.00 0.00 H new ATOM 0 HG22 THR B 140 -20.878 4.325 -9.172 1.00 0.00 H new ATOM 0 HG23 THR B 140 -20.775 3.600 -7.549 1.00 0.00 H new ATOM 947 N GLY B 141 -18.248 5.326 -9.630 1.00 0.00 N ATOM 948 CA GLY B 141 -17.772 5.573 -11.020 1.00 0.00 C ATOM 949 C GLY B 141 -17.787 4.261 -11.806 1.00 0.00 C ATOM 950 O GLY B 141 -18.443 3.307 -11.432 1.00 0.00 O ATOM 0 H GLY B 141 -18.016 4.409 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -18.410 6.309 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -16.764 5.987 -11.002 1.00 0.00 H new ATOM 954 N TYR B 142 -17.069 4.206 -12.893 1.00 0.00 N ATOM 955 CA TYR B 142 -17.041 2.960 -13.708 1.00 0.00 C ATOM 956 C TYR B 142 -15.600 2.465 -13.841 1.00 0.00 C ATOM 957 O TYR B 142 -14.731 3.175 -14.309 1.00 0.00 O ATOM 958 CB TYR B 142 -17.604 3.254 -15.101 1.00 0.00 C ATOM 959 CG TYR B 142 -19.037 3.714 -14.982 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.337 4.907 -14.314 1.00 0.00 C ATOM 961 CD2 TYR B 142 -20.066 2.947 -15.541 1.00 0.00 C ATOM 962 CE1 TYR B 142 -20.667 5.333 -14.204 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.396 3.373 -15.432 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.695 4.566 -14.763 1.00 0.00 C ATOM 965 OH TYR B 142 -23.005 4.985 -14.654 1.00 0.00 O ATOM 0 H TYR B 142 -16.499 4.972 -13.253 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.644 2.194 -13.220 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -17.005 4.021 -15.592 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.549 2.360 -15.723 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.543 5.499 -13.883 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -19.834 2.027 -16.056 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -20.899 6.253 -13.688 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -22.190 2.782 -15.864 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.455 4.472 -13.951 1.00 0.00 H new ATOM 975 N ILE B 143 -15.338 1.252 -13.438 1.00 0.00 N ATOM 976 CA ILE B 143 -13.952 0.715 -13.551 1.00 0.00 C ATOM 977 C ILE B 143 -13.973 -0.584 -14.363 1.00 0.00 C ATOM 978 O ILE B 143 -15.003 -1.216 -14.494 1.00 0.00 O ATOM 979 CB ILE B 143 -13.385 0.431 -12.157 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.230 -0.645 -11.470 1.00 0.00 C ATOM 981 CG2 ILE B 143 -13.410 1.710 -11.316 1.00 0.00 C ATOM 982 CD1 ILE B 143 -13.306 -1.657 -10.789 1.00 0.00 C ATOM 0 H ILE B 143 -16.022 0.611 -13.036 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.324 1.452 -14.051 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.357 0.083 -12.253 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -14.893 -0.189 -10.735 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -14.863 -1.148 -12.201 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.006 1.502 -10.325 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -12.806 2.476 -11.801 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -14.437 2.063 -11.222 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -13.905 -2.424 -10.299 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -12.662 -2.121 -11.536 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -12.692 -1.147 -10.047 1.00 0.00 H new ATOM 994 N PRO B 144 -12.825 -0.946 -14.876 1.00 0.00 N ATOM 995 CA PRO B 144 -12.669 -2.175 -15.675 1.00 0.00 C ATOM 996 C PRO B 144 -13.164 -3.391 -14.887 1.00 0.00 C ATOM 997 O PRO B 144 -12.857 -3.555 -13.723 1.00 0.00 O ATOM 998 CB PRO B 144 -11.160 -2.280 -15.934 1.00 0.00 C ATOM 999 CG PRO B 144 -10.481 -1.065 -15.248 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.588 -0.163 -14.702 1.00 0.00 C ATOM 0 HA PRO B 144 -13.246 -2.145 -16.599 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.767 -3.215 -15.534 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.954 -2.280 -17.004 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.826 -1.397 -14.443 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -9.860 -0.521 -15.960 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.418 0.083 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.636 0.780 -15.247 1.00 0.00 H new ATOM 1008 N SER B 145 -13.922 -4.246 -15.515 1.00 0.00 N ATOM 1009 CA SER B 145 -14.432 -5.449 -14.809 1.00 0.00 C ATOM 1010 C SER B 145 -13.277 -6.427 -14.572 1.00 0.00 C ATOM 1011 O SER B 145 -13.256 -7.153 -13.598 1.00 0.00 O ATOM 1012 CB SER B 145 -15.498 -6.117 -15.674 1.00 0.00 C ATOM 1013 OG SER B 145 -14.947 -6.423 -16.949 1.00 0.00 O ATOM 0 H SER B 145 -14.210 -4.161 -16.490 1.00 0.00 H new ATOM 0 HA SER B 145 -14.863 -5.162 -13.850 1.00 0.00 H new ATOM 0 HB2 SER B 145 -15.856 -7.027 -15.192 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.358 -5.457 -15.786 1.00 0.00 H new ATOM 0 HG SER B 145 -15.210 -5.733 -17.593 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.319 -6.451 -15.458 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.168 -7.382 -15.287 1.00 0.00 C ATOM 1021 C ASN B 146 -10.271 -6.890 -14.147 1.00 0.00 C ATOM 1022 O ASN B 146 -9.349 -7.566 -13.734 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.362 -7.437 -16.589 1.00 0.00 C ATOM 1024 CG ASN B 146 -9.557 -6.145 -16.754 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -10.081 -5.063 -16.575 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -8.298 -6.213 -17.090 1.00 0.00 N ATOM 0 H ASN B 146 -12.284 -5.866 -16.293 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.539 -8.378 -15.046 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -9.691 -8.296 -16.576 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -11.033 -7.569 -17.438 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -7.753 -5.358 -17.202 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -7.859 -7.121 -17.240 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.533 -5.720 -13.634 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.696 -5.188 -12.522 1.00 0.00 C ATOM 1035 C TYR B 147 -10.417 -5.399 -11.187 1.00 0.00 C ATOM 1036 O TYR B 147 -10.053 -4.825 -10.181 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.463 -3.689 -12.731 1.00 0.00 C ATOM 1038 CG TYR B 147 -8.162 -3.461 -13.468 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.592 -4.486 -14.234 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.528 -2.215 -13.386 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.389 -4.264 -14.917 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.327 -1.993 -14.067 1.00 0.00 C ATOM 1043 CZ TYR B 147 -5.756 -3.017 -14.833 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.571 -2.797 -15.504 1.00 0.00 O ATOM 0 H TYR B 147 -11.291 -5.109 -13.937 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.741 -5.713 -12.510 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.290 -3.260 -13.297 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.438 -3.180 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.080 -5.447 -14.298 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -7.967 -1.424 -12.796 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -5.950 -5.054 -15.508 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.840 -1.031 -14.002 1.00 0.00 H new ATOM 0 HH TYR B 147 -3.835 -2.746 -14.859 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.441 -6.209 -11.167 1.00 0.00 N ATOM 1055 CA VAL B 148 -12.182 -6.441 -9.892 1.00 0.00 C ATOM 1056 C VAL B 148 -12.425 -7.937 -9.695 1.00 0.00 C ATOM 1057 O VAL B 148 -12.509 -8.695 -10.642 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.527 -5.714 -9.948 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -13.329 -4.245 -9.572 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.097 -5.808 -11.366 1.00 0.00 C ATOM 0 H VAL B 148 -11.796 -6.719 -11.976 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.590 -6.060 -9.060 1.00 0.00 H new ATOM 0 HB VAL B 148 -14.221 -6.176 -9.246 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -14.287 -3.727 -9.612 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.923 -4.179 -8.563 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.636 -3.780 -10.273 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -15.055 -5.291 -11.408 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.404 -5.345 -12.068 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.238 -6.855 -11.633 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.543 -8.370 -8.468 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.787 -9.817 -8.206 1.00 0.00 C ATOM 1072 C ALA B 149 -13.528 -9.975 -6.874 1.00 0.00 C ATOM 1073 O ALA B 149 -13.317 -9.209 -5.955 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.450 -10.555 -8.134 1.00 0.00 C ATOM 0 H ALA B 149 -12.481 -7.783 -7.636 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.390 -10.236 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -11.628 -11.613 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -10.920 -10.442 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -10.847 -10.137 -7.328 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.378 -10.971 -6.810 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.167 -11.252 -5.596 1.00 0.00 C ATOM 1082 C PRO B 150 -14.236 -11.558 -4.419 1.00 0.00 C ATOM 1083 O PRO B 150 -13.135 -12.042 -4.595 1.00 0.00 O ATOM 1084 CB PRO B 150 -16.013 -12.483 -5.953 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.671 -12.883 -7.412 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.620 -11.893 -7.934 1.00 0.00 C ATOM 0 HA PRO B 150 -15.785 -10.406 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -15.798 -13.305 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -17.075 -12.258 -5.857 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.287 -13.903 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.565 -12.856 -8.035 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.705 -12.407 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -14.982 -11.359 -8.813 1.00 0.00 H new ATOM 1094 N VAL B 151 -14.668 -11.278 -3.220 1.00 0.00 N ATOM 1095 CA VAL B 151 -13.806 -11.551 -2.035 1.00 0.00 C ATOM 1096 C VAL B 151 -13.770 -13.058 -1.765 1.00 0.00 C ATOM 1097 O VAL B 151 -13.436 -13.433 -0.652 1.00 0.00 O ATOM 1098 CB VAL B 151 -14.372 -10.821 -0.813 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -15.621 -11.548 -0.310 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -13.318 -10.793 0.295 1.00 0.00 C ATOM 0 H VAL B 151 -15.580 -10.872 -3.010 1.00 0.00 H new ATOM 0 HA VAL B 151 -12.794 -11.196 -2.231 1.00 0.00 H new ATOM 0 HB VAL B 151 -14.637 -9.801 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -16.021 -11.026 0.559 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -16.373 -11.568 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -15.360 -12.569 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -13.719 -10.274 1.166 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -13.053 -11.814 0.571 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -12.430 -10.271 -0.061 1.00 0.00 H new