USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=14 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 Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot 30:sc= -2.64 USER MOD Single : B 107 THR OG1 : rot 180:sc= -0.442 USER MOD Single : B 112 SER OG : rot 37:sc= 0.173 USER MOD Single : B 114 HIS : no HD1:sc= -1.35! C(o=-1.3!,f=-3.6!) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 LYS NZ :NH3+ -146:sc= -0.413 (180deg=-1.69!) USER MOD Single : B 120 GLN : amide:sc= -0.619 K(o=-0.62,f=-2.8!) USER MOD Single : B 123 ASN :FLIP amide:sc= -0.17 F(o=-0.77,f=-0.17) USER MOD Single : B 124 SER OG : rot 180:sc= 0 USER MOD Single : B 134 SER OG : rot -170:sc= -1.58! USER MOD Single : B 136 THR OG1 : rot 180:sc= 0 USER MOD Single : B 137 THR OG1 : rot 180:sc= 0 USER MOD Single : B 140 THR OG1 : rot 180:sc= 0 USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot 160:sc= -2.03 USER MOD Single : B 146 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.8) USER MOD Single : B 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -10.991 -0.906 -21.789 1.00 0.00 N ATOM 70 CA LEU A 95 -10.536 -1.801 -20.686 1.00 0.00 C ATOM 71 C LEU A 95 -9.000 -1.826 -20.658 1.00 0.00 C ATOM 72 O LEU A 95 -8.380 -2.356 -21.558 1.00 0.00 O ATOM 73 CB LEU A 95 -11.067 -3.216 -20.929 1.00 0.00 C ATOM 74 CG LEU A 95 -12.383 -3.402 -20.173 1.00 0.00 C ATOM 75 CD1 LEU A 95 -12.972 -4.774 -20.502 1.00 0.00 C ATOM 76 CD2 LEU A 95 -12.122 -3.309 -18.667 1.00 0.00 C ATOM 0 HA LEU A 95 -10.913 -1.432 -19.732 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.221 -3.380 -21.995 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.336 -3.953 -20.596 1.00 0.00 H new ATOM 0 HG LEU A 95 -13.086 -2.624 -20.471 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.910 -4.906 -19.963 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -13.157 -4.843 -21.574 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -12.270 -5.552 -20.204 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.059 -3.441 -18.126 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.419 -4.088 -18.371 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -11.702 -2.332 -18.430 1.00 0.00 H new ATOM 88 N PRO A 96 -8.426 -1.242 -19.632 1.00 0.00 N ATOM 89 CA PRO A 96 -6.959 -1.179 -19.484 1.00 0.00 C ATOM 90 C PRO A 96 -6.377 -2.587 -19.332 1.00 0.00 C ATOM 91 O PRO A 96 -6.599 -3.257 -18.341 1.00 0.00 O ATOM 92 CB PRO A 96 -6.727 -0.363 -18.205 1.00 0.00 C ATOM 93 CG PRO A 96 -8.115 0.025 -17.636 1.00 0.00 C ATOM 94 CD PRO A 96 -9.183 -0.602 -18.543 1.00 0.00 C ATOM 0 HA PRO A 96 -6.476 -0.730 -20.352 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.164 -0.946 -17.476 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.139 0.529 -18.422 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.223 -0.335 -16.613 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.227 1.109 -17.606 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.785 -1.330 -17.999 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.867 0.154 -18.928 1.00 0.00 H new ATOM 238 N LEU B 86 -19.272 -8.262 -3.320 1.00 0.00 N ATOM 239 CA LEU B 86 -18.197 -7.239 -3.191 1.00 0.00 C ATOM 240 C LEU B 86 -17.041 -7.589 -4.129 1.00 0.00 C ATOM 241 O LEU B 86 -16.776 -8.742 -4.402 1.00 0.00 O ATOM 242 CB LEU B 86 -17.693 -7.210 -1.746 1.00 0.00 C ATOM 243 CG LEU B 86 -18.670 -6.411 -0.884 1.00 0.00 C ATOM 244 CD1 LEU B 86 -18.682 -6.978 0.536 1.00 0.00 C ATOM 245 CD2 LEU B 86 -18.232 -4.945 -0.845 1.00 0.00 C ATOM 0 HA LEU B 86 -18.594 -6.260 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -17.598 -8.226 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.701 -6.760 -1.704 1.00 0.00 H new ATOM 0 HG LEU B 86 -19.671 -6.481 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -19.379 -6.407 1.150 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -18.994 -8.022 0.508 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -17.682 -6.909 0.964 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -18.928 -4.374 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -17.231 -4.876 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -18.225 -4.540 -1.857 1.00 0.00 H new ATOM 257 N PHE B 87 -16.350 -6.598 -4.623 1.00 0.00 N ATOM 258 CA PHE B 87 -15.209 -6.868 -5.540 1.00 0.00 C ATOM 259 C PHE B 87 -14.019 -5.998 -5.138 1.00 0.00 C ATOM 260 O PHE B 87 -14.173 -4.851 -4.768 1.00 0.00 O ATOM 261 CB PHE B 87 -15.618 -6.536 -6.977 1.00 0.00 C ATOM 262 CG PHE B 87 -16.687 -7.500 -7.430 1.00 0.00 C ATOM 263 CD1 PHE B 87 -17.961 -7.455 -6.853 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.401 -8.442 -8.425 1.00 0.00 C ATOM 265 CE1 PHE B 87 -18.952 -8.350 -7.274 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.392 -9.338 -8.845 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.667 -9.292 -8.269 1.00 0.00 C ATOM 0 H PHE B 87 -16.527 -5.612 -4.430 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.932 -7.920 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -15.988 -5.512 -7.034 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.753 -6.599 -7.637 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.180 -6.730 -6.083 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.417 -8.478 -8.868 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -19.936 -8.313 -6.831 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.173 -10.065 -9.613 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.431 -9.984 -8.592 1.00 0.00 H new ATOM 277 N VAL B 88 -12.833 -6.532 -5.208 1.00 0.00 N ATOM 278 CA VAL B 88 -11.633 -5.733 -4.831 1.00 0.00 C ATOM 279 C VAL B 88 -10.831 -5.407 -6.091 1.00 0.00 C ATOM 280 O VAL B 88 -10.818 -6.166 -7.042 1.00 0.00 O ATOM 281 CB VAL B 88 -10.754 -6.534 -3.864 1.00 0.00 C ATOM 282 CG1 VAL B 88 -10.090 -5.580 -2.870 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.612 -7.545 -3.096 1.00 0.00 C ATOM 0 H VAL B 88 -12.641 -7.487 -5.510 1.00 0.00 H new ATOM 0 HA VAL B 88 -11.952 -4.811 -4.344 1.00 0.00 H new ATOM 0 HB VAL B 88 -9.990 -7.065 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -9.465 -6.149 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.474 -4.862 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.858 -5.048 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -10.981 -8.111 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -12.379 -7.016 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -12.087 -8.228 -3.800 1.00 0.00 H new ATOM 293 N ALA B 89 -10.160 -4.288 -6.108 1.00 0.00 N ATOM 294 CA ALA B 89 -9.358 -3.924 -7.309 1.00 0.00 C ATOM 295 C ALA B 89 -8.085 -4.771 -7.337 1.00 0.00 C ATOM 296 O ALA B 89 -7.250 -4.681 -6.459 1.00 0.00 O ATOM 297 CB ALA B 89 -8.987 -2.441 -7.248 1.00 0.00 C ATOM 0 H ALA B 89 -10.133 -3.612 -5.344 1.00 0.00 H new ATOM 0 HA ALA B 89 -9.942 -4.110 -8.210 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.400 -2.176 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -9.896 -1.839 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.401 -2.249 -6.349 1.00 0.00 H new ATOM 303 N LEU B 100 -7.931 -5.599 -8.333 1.00 0.00 N ATOM 304 CA LEU B 100 -6.712 -6.453 -8.408 1.00 0.00 C ATOM 305 C LEU B 100 -5.523 -5.608 -8.873 1.00 0.00 C ATOM 306 O LEU B 100 -4.388 -6.036 -8.820 1.00 0.00 O ATOM 307 CB LEU B 100 -6.948 -7.592 -9.403 1.00 0.00 C ATOM 308 CG LEU B 100 -8.329 -8.204 -9.162 1.00 0.00 C ATOM 309 CD1 LEU B 100 -9.073 -8.329 -10.493 1.00 0.00 C ATOM 310 CD2 LEU B 100 -8.170 -9.592 -8.538 1.00 0.00 C ATOM 0 H LEU B 100 -8.595 -5.721 -9.097 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.499 -6.868 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.878 -7.217 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.176 -8.354 -9.290 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.896 -7.563 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -10.057 -8.765 -10.320 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.187 -7.342 -10.940 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.506 -8.970 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -9.154 -10.028 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.602 -10.232 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.640 -9.506 -7.589 1.00 0.00 H new ATOM 322 N TYR B 101 -5.774 -4.409 -9.328 1.00 0.00 N ATOM 323 CA TYR B 101 -4.656 -3.541 -9.795 1.00 0.00 C ATOM 324 C TYR B 101 -4.972 -2.079 -9.476 1.00 0.00 C ATOM 325 O TYR B 101 -5.893 -1.776 -8.743 1.00 0.00 O ATOM 326 CB TYR B 101 -4.488 -3.695 -11.307 1.00 0.00 C ATOM 327 CG TYR B 101 -4.235 -5.144 -11.640 1.00 0.00 C ATOM 328 CD1 TYR B 101 -2.998 -5.723 -11.338 1.00 0.00 C ATOM 329 CD2 TYR B 101 -5.236 -5.907 -12.251 1.00 0.00 C ATOM 330 CE1 TYR B 101 -2.761 -7.068 -11.646 1.00 0.00 C ATOM 331 CE2 TYR B 101 -5.000 -7.251 -12.560 1.00 0.00 C ATOM 332 CZ TYR B 101 -3.763 -7.832 -12.258 1.00 0.00 C ATOM 333 OH TYR B 101 -3.530 -9.158 -12.562 1.00 0.00 O ATOM 0 H TYR B 101 -6.704 -3.995 -9.396 1.00 0.00 H new ATOM 0 HA TYR B 101 -3.737 -3.837 -9.288 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.383 -3.344 -11.821 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -3.658 -3.080 -11.656 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -2.226 -5.133 -10.867 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -6.191 -5.459 -12.484 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -1.807 -7.516 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -5.772 -7.840 -13.032 1.00 0.00 H new ATOM 0 HH TYR B 101 -4.328 -9.543 -12.982 1.00 0.00 H new ATOM 343 N ASP B 102 -4.216 -1.170 -10.027 1.00 0.00 N ATOM 344 CA ASP B 102 -4.472 0.273 -9.770 1.00 0.00 C ATOM 345 C ASP B 102 -5.186 0.875 -10.982 1.00 0.00 C ATOM 346 O ASP B 102 -5.125 0.344 -12.072 1.00 0.00 O ATOM 347 CB ASP B 102 -3.141 0.996 -9.550 1.00 0.00 C ATOM 348 CG ASP B 102 -2.244 0.147 -8.648 1.00 0.00 C ATOM 349 OD1 ASP B 102 -1.915 -0.959 -9.044 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.901 0.617 -7.575 1.00 0.00 O ATOM 0 H ASP B 102 -3.430 -1.366 -10.646 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.094 0.385 -8.882 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -2.649 1.174 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -3.315 1.971 -9.094 1.00 0.00 H new ATOM 355 N TYR B 103 -5.865 1.974 -10.805 1.00 0.00 N ATOM 356 CA TYR B 103 -6.581 2.593 -11.956 1.00 0.00 C ATOM 357 C TYR B 103 -6.657 4.108 -11.762 1.00 0.00 C ATOM 358 O TYR B 103 -7.196 4.593 -10.787 1.00 0.00 O ATOM 359 CB TYR B 103 -7.997 2.019 -12.041 1.00 0.00 C ATOM 360 CG TYR B 103 -8.788 2.777 -13.081 1.00 0.00 C ATOM 361 CD1 TYR B 103 -8.155 3.244 -14.240 1.00 0.00 C ATOM 362 CD2 TYR B 103 -10.154 3.011 -12.886 1.00 0.00 C ATOM 363 CE1 TYR B 103 -8.890 3.946 -15.203 1.00 0.00 C ATOM 364 CE2 TYR B 103 -10.888 3.713 -13.848 1.00 0.00 C ATOM 365 CZ TYR B 103 -10.257 4.180 -15.008 1.00 0.00 C ATOM 366 OH TYR B 103 -10.981 4.872 -15.957 1.00 0.00 O ATOM 0 H TYR B 103 -5.955 2.469 -9.918 1.00 0.00 H new ATOM 0 HA TYR B 103 -6.041 2.374 -12.877 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.957 0.961 -12.300 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.489 2.091 -11.071 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -7.101 3.063 -14.391 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -10.642 2.650 -11.993 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -8.403 4.307 -16.097 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -11.942 3.895 -13.696 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.591 4.717 -16.843 1.00 0.00 H new ATOM 376 N GLU B 104 -6.122 4.860 -12.685 1.00 0.00 N ATOM 377 CA GLU B 104 -6.167 6.344 -12.557 1.00 0.00 C ATOM 378 C GLU B 104 -7.280 6.893 -13.452 1.00 0.00 C ATOM 379 O GLU B 104 -7.126 7.010 -14.652 1.00 0.00 O ATOM 380 CB GLU B 104 -4.823 6.936 -12.988 1.00 0.00 C ATOM 381 CG GLU B 104 -3.908 7.067 -11.768 1.00 0.00 C ATOM 382 CD GLU B 104 -3.942 8.508 -11.256 1.00 0.00 C ATOM 383 OE1 GLU B 104 -3.394 9.366 -11.927 1.00 0.00 O ATOM 384 OE2 GLU B 104 -4.515 8.728 -10.202 1.00 0.00 O ATOM 0 H GLU B 104 -5.656 4.511 -13.522 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.364 6.616 -11.520 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.357 6.298 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.975 7.912 -13.449 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.231 6.383 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -2.888 6.788 -12.034 1.00 0.00 H new ATOM 391 N ALA B 105 -8.404 7.224 -12.879 1.00 0.00 N ATOM 392 CA ALA B 105 -9.531 7.758 -13.693 1.00 0.00 C ATOM 393 C ALA B 105 -9.067 8.981 -14.485 1.00 0.00 C ATOM 394 O ALA B 105 -8.566 9.939 -13.932 1.00 0.00 O ATOM 395 CB ALA B 105 -10.680 8.160 -12.767 1.00 0.00 C ATOM 0 H ALA B 105 -8.591 7.147 -11.879 1.00 0.00 H new ATOM 0 HA ALA B 105 -9.869 6.988 -14.387 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.506 8.551 -13.361 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -11.017 7.288 -12.206 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.337 8.927 -12.073 1.00 0.00 H new ATOM 401 N ARG B 106 -9.239 8.959 -15.779 1.00 0.00 N ATOM 402 CA ARG B 106 -8.818 10.125 -16.606 1.00 0.00 C ATOM 403 C ARG B 106 -10.042 10.995 -16.903 1.00 0.00 C ATOM 404 O ARG B 106 -9.925 12.111 -17.369 1.00 0.00 O ATOM 405 CB ARG B 106 -8.212 9.629 -17.921 1.00 0.00 C ATOM 406 CG ARG B 106 -9.075 8.501 -18.491 1.00 0.00 C ATOM 407 CD ARG B 106 -8.537 7.153 -18.009 1.00 0.00 C ATOM 408 NE ARG B 106 -7.759 6.510 -19.104 1.00 0.00 N ATOM 409 CZ ARG B 106 -8.088 5.319 -19.525 1.00 0.00 C ATOM 410 NH1 ARG B 106 -9.267 5.114 -20.047 1.00 0.00 N ATOM 411 NH2 ARG B 106 -7.238 4.333 -19.426 1.00 0.00 N ATOM 0 H ARG B 106 -9.652 8.185 -16.298 1.00 0.00 H new ATOM 0 HA ARG B 106 -8.073 10.709 -16.065 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.149 10.449 -18.636 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.195 9.273 -17.753 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -10.110 8.625 -18.174 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -9.068 8.539 -19.580 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -7.904 7.294 -17.133 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -9.361 6.507 -17.706 1.00 0.00 H new ATOM 0 HE ARG B 106 -6.970 7.000 -19.525 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -9.931 5.884 -20.126 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -9.524 4.183 -20.376 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.316 4.493 -19.019 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -7.496 3.403 -19.755 1.00 0.00 H new ATOM 425 N THR B 107 -11.215 10.490 -16.635 1.00 0.00 N ATOM 426 CA THR B 107 -12.448 11.282 -16.897 1.00 0.00 C ATOM 427 C THR B 107 -13.313 11.307 -15.636 1.00 0.00 C ATOM 428 O THR B 107 -13.020 10.647 -14.659 1.00 0.00 O ATOM 429 CB THR B 107 -13.238 10.634 -18.039 1.00 0.00 C ATOM 430 OG1 THR B 107 -14.501 11.271 -18.160 1.00 0.00 O ATOM 431 CG2 THR B 107 -13.440 9.147 -17.743 1.00 0.00 C ATOM 0 H THR B 107 -11.372 9.561 -16.245 1.00 0.00 H new ATOM 0 HA THR B 107 -12.174 12.300 -17.174 1.00 0.00 H new ATOM 0 HB THR B 107 -12.685 10.744 -18.972 1.00 0.00 H new ATOM 0 HG1 THR B 107 -15.007 10.859 -18.891 1.00 0.00 H new ATOM 0 HG21 THR B 107 -14.002 8.687 -18.556 1.00 0.00 H new ATOM 0 HG22 THR B 107 -12.470 8.659 -17.651 1.00 0.00 H new ATOM 0 HG23 THR B 107 -13.993 9.033 -16.810 1.00 0.00 H new ATOM 439 N GLU B 108 -14.377 12.062 -15.648 1.00 0.00 N ATOM 440 CA GLU B 108 -15.258 12.124 -14.449 1.00 0.00 C ATOM 441 C GLU B 108 -16.247 10.957 -14.484 1.00 0.00 C ATOM 442 O GLU B 108 -17.171 10.891 -13.698 1.00 0.00 O ATOM 443 CB GLU B 108 -16.031 13.445 -14.452 1.00 0.00 C ATOM 444 CG GLU B 108 -16.725 13.627 -15.802 1.00 0.00 C ATOM 445 CD GLU B 108 -18.018 14.422 -15.610 1.00 0.00 C ATOM 446 OE1 GLU B 108 -18.218 14.935 -14.521 1.00 0.00 O ATOM 447 OE2 GLU B 108 -18.785 14.505 -16.555 1.00 0.00 O ATOM 0 H GLU B 108 -14.674 12.638 -16.436 1.00 0.00 H new ATOM 0 HA GLU B 108 -14.650 12.060 -13.547 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.768 13.449 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -15.352 14.277 -14.265 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -16.065 14.149 -16.495 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -16.946 12.655 -16.243 1.00 0.00 H new ATOM 454 N ASP B 109 -16.061 10.036 -15.390 1.00 0.00 N ATOM 455 CA ASP B 109 -16.993 8.876 -15.474 1.00 0.00 C ATOM 456 C ASP B 109 -16.294 7.617 -14.953 1.00 0.00 C ATOM 457 O ASP B 109 -16.848 6.536 -14.972 1.00 0.00 O ATOM 458 CB ASP B 109 -17.410 8.663 -16.930 1.00 0.00 C ATOM 459 CG ASP B 109 -18.248 9.855 -17.399 1.00 0.00 C ATOM 460 OD1 ASP B 109 -17.749 10.966 -17.333 1.00 0.00 O ATOM 461 OD2 ASP B 109 -19.373 9.635 -17.817 1.00 0.00 O ATOM 0 H ASP B 109 -15.305 10.037 -16.075 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.876 9.076 -14.868 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -16.527 8.555 -17.560 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.984 7.741 -17.024 1.00 0.00 H new ATOM 466 N ASP B 110 -15.081 7.748 -14.487 1.00 0.00 N ATOM 467 CA ASP B 110 -14.351 6.558 -13.964 1.00 0.00 C ATOM 468 C ASP B 110 -13.966 6.801 -12.502 1.00 0.00 C ATOM 469 O ASP B 110 -14.356 7.784 -11.903 1.00 0.00 O ATOM 470 CB ASP B 110 -13.084 6.334 -14.793 1.00 0.00 C ATOM 471 CG ASP B 110 -13.469 5.893 -16.206 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.265 4.976 -16.324 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.961 6.481 -17.148 1.00 0.00 O ATOM 0 H ASP B 110 -14.565 8.627 -14.446 1.00 0.00 H new ATOM 0 HA ASP B 110 -14.991 5.678 -14.032 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.497 7.252 -14.834 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.458 5.576 -14.322 1.00 0.00 H new ATOM 478 N LEU B 111 -13.202 5.914 -11.923 1.00 0.00 N ATOM 479 CA LEU B 111 -12.795 6.100 -10.500 1.00 0.00 C ATOM 480 C LEU B 111 -11.283 5.899 -10.372 1.00 0.00 C ATOM 481 O LEU B 111 -10.635 5.399 -11.268 1.00 0.00 O ATOM 482 CB LEU B 111 -13.523 5.080 -9.623 1.00 0.00 C ATOM 483 CG LEU B 111 -15.031 5.206 -9.843 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.723 3.916 -9.397 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.568 6.381 -9.022 1.00 0.00 C ATOM 0 H LEU B 111 -12.843 5.071 -12.372 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.056 7.107 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.192 4.071 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.282 5.249 -8.573 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.230 5.378 -10.901 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.798 4.007 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.341 3.078 -9.979 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.524 3.743 -8.339 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.643 6.472 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.368 6.208 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.076 7.301 -9.338 1.00 0.00 H new ATOM 497 N SER B 112 -10.717 6.289 -9.261 1.00 0.00 N ATOM 498 CA SER B 112 -9.248 6.122 -9.074 1.00 0.00 C ATOM 499 C SER B 112 -8.987 5.353 -7.777 1.00 0.00 C ATOM 500 O SER B 112 -9.516 5.681 -6.734 1.00 0.00 O ATOM 501 CB SER B 112 -8.585 7.498 -8.994 1.00 0.00 C ATOM 502 OG SER B 112 -9.250 8.284 -8.014 1.00 0.00 O ATOM 0 H SER B 112 -11.209 6.716 -8.476 1.00 0.00 H new ATOM 0 HA SER B 112 -8.833 5.568 -9.916 1.00 0.00 H new ATOM 0 HB2 SER B 112 -7.531 7.392 -8.738 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.629 7.992 -9.964 1.00 0.00 H new ATOM 0 HG SER B 112 -9.513 7.714 -7.261 1.00 0.00 H new ATOM 508 N PHE B 113 -8.178 4.330 -7.833 1.00 0.00 N ATOM 509 CA PHE B 113 -7.892 3.542 -6.601 1.00 0.00 C ATOM 510 C PHE B 113 -6.638 2.692 -6.809 1.00 0.00 C ATOM 511 O PHE B 113 -6.009 2.732 -7.848 1.00 0.00 O ATOM 512 CB PHE B 113 -9.077 2.623 -6.303 1.00 0.00 C ATOM 513 CG PHE B 113 -9.441 1.858 -7.551 1.00 0.00 C ATOM 514 CD1 PHE B 113 -8.771 0.667 -7.862 1.00 0.00 C ATOM 515 CD2 PHE B 113 -10.444 2.338 -8.400 1.00 0.00 C ATOM 516 CE1 PHE B 113 -9.106 -0.041 -9.023 1.00 0.00 C ATOM 517 CE2 PHE B 113 -10.780 1.629 -9.560 1.00 0.00 C ATOM 518 CZ PHE B 113 -10.110 0.440 -9.871 1.00 0.00 C ATOM 0 H PHE B 113 -7.704 4.007 -8.676 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.732 4.225 -5.766 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.823 1.931 -5.500 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.930 3.209 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -7.997 0.295 -7.207 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -10.960 3.256 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -8.589 -0.958 -9.264 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -11.555 1.999 -10.214 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.368 -0.107 -10.766 1.00 0.00 H new ATOM 528 N HIS B 114 -6.276 1.916 -5.825 1.00 0.00 N ATOM 529 CA HIS B 114 -5.067 1.053 -5.954 1.00 0.00 C ATOM 530 C HIS B 114 -5.422 -0.371 -5.527 1.00 0.00 C ATOM 531 O HIS B 114 -6.301 -0.583 -4.714 1.00 0.00 O ATOM 532 CB HIS B 114 -3.955 1.591 -5.053 1.00 0.00 C ATOM 533 CG HIS B 114 -4.537 2.000 -3.729 1.00 0.00 C ATOM 534 ND1 HIS B 114 -5.441 3.045 -3.610 1.00 0.00 N ATOM 535 CD2 HIS B 114 -4.356 1.514 -2.457 1.00 0.00 C ATOM 536 CE1 HIS B 114 -5.768 3.152 -2.310 1.00 0.00 C ATOM 537 NE2 HIS B 114 -5.134 2.243 -1.563 1.00 0.00 N ATOM 0 H HIS B 114 -6.767 1.842 -4.934 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.725 1.054 -6.989 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -3.190 0.828 -4.906 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -3.468 2.443 -5.527 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -3.709 0.691 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -6.459 3.883 -1.917 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -5.205 2.112 -0.554 1.00 0.00 H new ATOM 545 N LYS B 115 -4.751 -1.351 -6.066 1.00 0.00 N ATOM 546 CA LYS B 115 -5.061 -2.756 -5.685 1.00 0.00 C ATOM 547 C LYS B 115 -5.213 -2.848 -4.165 1.00 0.00 C ATOM 548 O LYS B 115 -4.540 -2.163 -3.420 1.00 0.00 O ATOM 549 CB LYS B 115 -3.930 -3.679 -6.151 1.00 0.00 C ATOM 550 CG LYS B 115 -2.643 -3.346 -5.393 1.00 0.00 C ATOM 551 CD LYS B 115 -1.867 -4.635 -5.116 1.00 0.00 C ATOM 552 CE LYS B 115 -2.379 -5.272 -3.823 1.00 0.00 C ATOM 553 NZ LYS B 115 -1.411 -5.010 -2.721 1.00 0.00 N ATOM 0 H LYS B 115 -4.004 -1.240 -6.752 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.992 -3.065 -6.161 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -4.204 -4.720 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -3.772 -3.563 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -2.031 -2.659 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -2.880 -2.843 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -1.986 -5.329 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -0.802 -4.419 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -3.357 -4.864 -3.567 1.00 0.00 H new ATOM 0 HE3 LYS B 115 -2.508 -6.346 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 -1.760 -5.443 -1.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 -0.487 -5.419 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 -1.310 -3.984 -2.585 1.00 0.00 H new ATOM 567 N GLY B 116 -6.100 -3.682 -3.698 1.00 0.00 N ATOM 568 CA GLY B 116 -6.300 -3.809 -2.228 1.00 0.00 C ATOM 569 C GLY B 116 -7.475 -2.932 -1.801 1.00 0.00 C ATOM 570 O GLY B 116 -7.920 -2.980 -0.670 1.00 0.00 O ATOM 0 H GLY B 116 -6.695 -4.281 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.493 -4.849 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.396 -3.508 -1.699 1.00 0.00 H new ATOM 574 N GLU B 117 -7.983 -2.128 -2.695 1.00 0.00 N ATOM 575 CA GLU B 117 -9.128 -1.248 -2.336 1.00 0.00 C ATOM 576 C GLU B 117 -10.440 -2.007 -2.535 1.00 0.00 C ATOM 577 O GLU B 117 -10.694 -2.562 -3.585 1.00 0.00 O ATOM 578 CB GLU B 117 -9.117 -0.005 -3.228 1.00 0.00 C ATOM 579 CG GLU B 117 -9.700 1.181 -2.458 1.00 0.00 C ATOM 580 CD GLU B 117 -11.224 1.055 -2.400 1.00 0.00 C ATOM 581 OE1 GLU B 117 -11.853 1.246 -3.428 1.00 0.00 O ATOM 582 OE2 GLU B 117 -11.734 0.770 -1.330 1.00 0.00 O ATOM 0 H GLU B 117 -7.654 -2.043 -3.657 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.039 -0.947 -1.292 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.098 0.219 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -9.699 -0.187 -4.131 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.289 1.210 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -9.420 2.116 -2.944 1.00 0.00 H new ATOM 589 N LYS B 118 -11.277 -2.033 -1.535 1.00 0.00 N ATOM 590 CA LYS B 118 -12.573 -2.753 -1.667 1.00 0.00 C ATOM 591 C LYS B 118 -13.508 -1.949 -2.571 1.00 0.00 C ATOM 592 O LYS B 118 -13.341 -0.758 -2.749 1.00 0.00 O ATOM 593 CB LYS B 118 -13.211 -2.915 -0.285 1.00 0.00 C ATOM 594 CG LYS B 118 -12.177 -3.476 0.694 1.00 0.00 C ATOM 595 CD LYS B 118 -12.000 -4.975 0.446 1.00 0.00 C ATOM 596 CE LYS B 118 -13.059 -5.752 1.231 1.00 0.00 C ATOM 597 NZ LYS B 118 -12.981 -5.383 2.673 1.00 0.00 N ATOM 0 H LYS B 118 -11.119 -1.586 -0.632 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.401 -3.737 -2.103 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -13.580 -1.953 0.071 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.070 -3.584 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -11.225 -2.961 0.568 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.500 -3.302 1.720 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -12.090 -5.191 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -11.002 -5.289 0.752 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -14.052 -5.529 0.841 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -12.902 -6.824 1.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -13.215 -6.211 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -12.018 -5.062 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -13.656 -4.617 2.872 1.00 0.00 H new ATOM 611 N PHE B 119 -14.490 -2.587 -3.144 1.00 0.00 N ATOM 612 CA PHE B 119 -15.432 -1.855 -4.038 1.00 0.00 C ATOM 613 C PHE B 119 -16.809 -2.518 -3.983 1.00 0.00 C ATOM 614 O PHE B 119 -16.926 -3.709 -3.774 1.00 0.00 O ATOM 615 CB PHE B 119 -14.909 -1.901 -5.475 1.00 0.00 C ATOM 616 CG PHE B 119 -13.937 -0.769 -5.702 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.412 0.516 -5.990 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.559 -1.006 -5.627 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.508 1.564 -6.205 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.656 0.042 -5.841 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.131 1.326 -6.130 1.00 0.00 C ATOM 0 H PHE B 119 -14.682 -3.583 -3.033 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.512 -0.819 -3.709 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.419 -2.856 -5.663 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.740 -1.825 -6.177 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.475 0.699 -6.046 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.193 -1.997 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.873 2.555 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.593 -0.140 -5.783 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.434 2.134 -6.295 1.00 0.00 H new ATOM 631 N GLN B 120 -17.853 -1.760 -4.176 1.00 0.00 N ATOM 632 CA GLN B 120 -19.219 -2.352 -4.145 1.00 0.00 C ATOM 633 C GLN B 120 -19.833 -2.265 -5.543 1.00 0.00 C ATOM 634 O GLN B 120 -20.306 -1.225 -5.960 1.00 0.00 O ATOM 635 CB GLN B 120 -20.090 -1.580 -3.153 1.00 0.00 C ATOM 636 CG GLN B 120 -20.104 -2.312 -1.811 1.00 0.00 C ATOM 637 CD GLN B 120 -21.508 -2.244 -1.207 1.00 0.00 C ATOM 638 OE1 GLN B 120 -22.481 -2.086 -1.917 1.00 0.00 O ATOM 639 NE2 GLN B 120 -21.655 -2.358 0.084 1.00 0.00 N ATOM 0 H GLN B 120 -17.819 -0.756 -4.354 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.161 -3.395 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.704 -0.569 -3.024 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.105 -1.487 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.806 -3.351 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.382 -1.860 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -20.838 -2.491 0.681 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.587 -2.314 0.497 1.00 0.00 H new ATOM 648 N ILE B 121 -19.820 -3.344 -6.276 1.00 0.00 N ATOM 649 CA ILE B 121 -20.393 -3.316 -7.651 1.00 0.00 C ATOM 650 C ILE B 121 -21.920 -3.247 -7.577 1.00 0.00 C ATOM 651 O ILE B 121 -22.565 -4.101 -7.000 1.00 0.00 O ATOM 652 CB ILE B 121 -19.975 -4.581 -8.402 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.449 -4.695 -8.393 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.469 -4.503 -9.848 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.846 -3.513 -9.154 1.00 0.00 C ATOM 0 H ILE B 121 -19.438 -4.243 -5.983 1.00 0.00 H new ATOM 0 HA ILE B 121 -20.020 -2.438 -8.178 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.410 -5.454 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -18.080 -4.707 -7.367 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -18.141 -5.634 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.171 -5.405 -10.383 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.556 -4.418 -9.857 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -20.033 -3.631 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.759 -3.593 -9.148 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.205 -3.522 -10.183 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.144 -2.581 -8.674 1.00 0.00 H new ATOM 667 N LEU B 122 -22.502 -2.239 -8.166 1.00 0.00 N ATOM 668 CA LEU B 122 -23.987 -2.110 -8.143 1.00 0.00 C ATOM 669 C LEU B 122 -24.561 -2.724 -9.418 1.00 0.00 C ATOM 670 O LEU B 122 -25.388 -3.613 -9.377 1.00 0.00 O ATOM 671 CB LEU B 122 -24.372 -0.630 -8.070 1.00 0.00 C ATOM 672 CG LEU B 122 -23.348 0.130 -7.226 1.00 0.00 C ATOM 673 CD1 LEU B 122 -23.625 1.632 -7.312 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.454 -0.320 -5.768 1.00 0.00 C ATOM 0 H LEU B 122 -22.011 -1.496 -8.664 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.387 -2.629 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.416 -0.206 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.366 -0.524 -7.635 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.346 -0.078 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -22.894 2.172 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.551 1.957 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.628 1.839 -6.938 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.724 0.222 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.457 -0.113 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.256 -1.390 -5.702 1.00 0.00 H new ATOM 686 N ASN B 123 -24.122 -2.255 -10.551 1.00 0.00 N ATOM 687 CA ASN B 123 -24.631 -2.807 -11.838 1.00 0.00 C ATOM 688 C ASN B 123 -23.464 -3.396 -12.632 1.00 0.00 C ATOM 689 O ASN B 123 -22.451 -2.754 -12.838 1.00 0.00 O ATOM 690 CB ASN B 123 -25.286 -1.688 -12.650 1.00 0.00 C ATOM 691 CG ASN B 123 -26.716 -2.090 -13.020 1.00 0.00 C ATOM 692 OD1 ASN B 123 -26.980 -3.339 -13.293 1.00 0.00 O flip ATOM 693 ND2 ASN B 123 -27.602 -1.260 -13.061 1.00 0.00 N flip ATOM 0 H ASN B 123 -23.430 -1.511 -10.643 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.366 -3.586 -11.636 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -25.295 -0.764 -12.072 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.707 -1.494 -13.553 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -27.397 -0.284 -12.848 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -28.551 -1.539 -13.309 1.00 0.00 H new ATOM 700 N SER B 124 -23.596 -4.615 -13.080 1.00 0.00 N ATOM 701 CA SER B 124 -22.496 -5.247 -13.860 1.00 0.00 C ATOM 702 C SER B 124 -23.049 -5.763 -15.190 1.00 0.00 C ATOM 703 O SER B 124 -22.612 -6.773 -15.705 1.00 0.00 O ATOM 704 CB SER B 124 -21.911 -6.415 -13.066 1.00 0.00 C ATOM 705 OG SER B 124 -22.738 -6.679 -11.941 1.00 0.00 O ATOM 0 H SER B 124 -24.419 -5.200 -12.939 1.00 0.00 H new ATOM 0 HA SER B 124 -21.715 -4.510 -14.049 1.00 0.00 H new ATOM 0 HB2 SER B 124 -21.843 -7.301 -13.697 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.899 -6.177 -12.740 1.00 0.00 H new ATOM 0 HG SER B 124 -22.367 -7.429 -11.431 1.00 0.00 H new ATOM 744 N ASP B 128 -17.809 -5.155 -20.018 1.00 0.00 N ATOM 745 CA ASP B 128 -16.455 -4.553 -20.165 1.00 0.00 C ATOM 746 C ASP B 128 -16.201 -3.560 -19.028 1.00 0.00 C ATOM 747 O ASP B 128 -15.098 -3.444 -18.533 1.00 0.00 O ATOM 748 CB ASP B 128 -16.366 -3.823 -21.506 1.00 0.00 C ATOM 749 CG ASP B 128 -16.047 -4.828 -22.614 1.00 0.00 C ATOM 750 OD1 ASP B 128 -16.971 -5.463 -23.095 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.884 -4.948 -22.961 1.00 0.00 O ATOM 0 HA ASP B 128 -15.705 -5.343 -20.126 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -17.307 -3.317 -21.720 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -15.594 -3.055 -21.464 1.00 0.00 H new ATOM 756 N TRP B 129 -17.207 -2.838 -18.614 1.00 0.00 N ATOM 757 CA TRP B 129 -17.004 -1.853 -17.514 1.00 0.00 C ATOM 758 C TRP B 129 -18.137 -1.967 -16.492 1.00 0.00 C ATOM 759 O TRP B 129 -19.301 -2.007 -16.839 1.00 0.00 O ATOM 760 CB TRP B 129 -16.985 -0.440 -18.098 1.00 0.00 C ATOM 761 CG TRP B 129 -15.630 -0.159 -18.659 1.00 0.00 C ATOM 762 CD1 TRP B 129 -15.151 -0.663 -19.820 1.00 0.00 C ATOM 763 CD2 TRP B 129 -14.571 0.677 -18.108 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.866 -0.189 -20.015 1.00 0.00 N ATOM 765 CE2 TRP B 129 -13.464 0.639 -18.988 1.00 0.00 C ATOM 766 CE3 TRP B 129 -14.466 1.454 -16.941 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -12.294 1.349 -18.720 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -13.289 2.171 -16.669 1.00 0.00 C ATOM 769 CH2 TRP B 129 -12.205 2.118 -17.556 1.00 0.00 C ATOM 0 H TRP B 129 -18.155 -2.887 -18.987 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.056 -2.060 -17.018 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.741 -0.345 -18.877 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -17.230 0.289 -17.326 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.684 -1.326 -20.485 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -13.286 -0.424 -20.821 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -15.295 1.500 -16.250 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -11.462 1.305 -19.407 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -13.219 2.767 -15.771 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -11.302 2.670 -17.340 1.00 0.00 H new ATOM 780 N TRP B 130 -17.800 -2.013 -15.232 1.00 0.00 N ATOM 781 CA TRP B 130 -18.848 -2.116 -14.178 1.00 0.00 C ATOM 782 C TRP B 130 -18.905 -0.805 -13.393 1.00 0.00 C ATOM 783 O TRP B 130 -17.958 -0.044 -13.368 1.00 0.00 O ATOM 784 CB TRP B 130 -18.498 -3.253 -13.212 1.00 0.00 C ATOM 785 CG TRP B 130 -18.824 -4.574 -13.830 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.439 -4.752 -15.022 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.563 -5.908 -13.303 1.00 0.00 C ATOM 788 NE1 TRP B 130 -19.573 -6.109 -15.258 1.00 0.00 N ATOM 789 CE2 TRP B 130 -19.047 -6.862 -14.228 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.959 -6.376 -12.122 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -18.935 -8.233 -13.990 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.844 -7.754 -11.880 1.00 0.00 C ATOM 793 CH2 TRP B 130 -18.331 -8.681 -12.812 1.00 0.00 C ATOM 0 H TRP B 130 -16.841 -1.984 -14.886 1.00 0.00 H new ATOM 0 HA TRP B 130 -19.811 -2.315 -14.648 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -17.438 -3.213 -12.960 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.052 -3.132 -12.281 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.771 -3.964 -15.682 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -20.008 -6.505 -16.092 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.581 -5.671 -11.397 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -19.313 -8.943 -14.711 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.377 -8.102 -10.970 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -18.240 -9.740 -12.620 1.00 0.00 H new ATOM 804 N GLU B 131 -20.003 -0.541 -12.738 1.00 0.00 N ATOM 805 CA GLU B 131 -20.111 0.714 -11.941 1.00 0.00 C ATOM 806 C GLU B 131 -20.052 0.352 -10.456 1.00 0.00 C ATOM 807 O GLU B 131 -20.908 -0.341 -9.946 1.00 0.00 O ATOM 808 CB GLU B 131 -21.439 1.406 -12.250 1.00 0.00 C ATOM 809 CG GLU B 131 -22.598 0.519 -11.796 1.00 0.00 C ATOM 810 CD GLU B 131 -23.907 1.057 -12.376 1.00 0.00 C ATOM 811 OE1 GLU B 131 -24.150 0.828 -13.550 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.646 1.687 -11.638 1.00 0.00 O ATOM 0 H GLU B 131 -20.829 -1.139 -12.720 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.294 1.389 -12.194 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -21.485 2.370 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.517 1.605 -13.319 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -22.436 -0.507 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.651 0.499 -10.707 1.00 0.00 H new ATOM 819 N ALA B 132 -19.041 0.795 -9.761 1.00 0.00 N ATOM 820 CA ALA B 132 -18.932 0.447 -8.315 1.00 0.00 C ATOM 821 C ALA B 132 -18.725 1.708 -7.476 1.00 0.00 C ATOM 822 O ALA B 132 -18.295 2.733 -7.966 1.00 0.00 O ATOM 823 CB ALA B 132 -17.741 -0.491 -8.114 1.00 0.00 C ATOM 0 H ALA B 132 -18.290 1.379 -10.128 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.854 -0.041 -7.998 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -17.655 -0.749 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.890 -1.399 -8.699 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.827 0.006 -8.441 1.00 0.00 H new ATOM 829 N ARG B 133 -19.024 1.633 -6.205 1.00 0.00 N ATOM 830 CA ARG B 133 -18.839 2.815 -5.321 1.00 0.00 C ATOM 831 C ARG B 133 -17.679 2.548 -4.359 1.00 0.00 C ATOM 832 O ARG B 133 -17.499 1.445 -3.882 1.00 0.00 O ATOM 833 CB ARG B 133 -20.120 3.066 -4.521 1.00 0.00 C ATOM 834 CG ARG B 133 -20.278 1.981 -3.455 1.00 0.00 C ATOM 835 CD ARG B 133 -21.726 1.957 -2.959 1.00 0.00 C ATOM 836 NE ARG B 133 -21.786 1.283 -1.631 1.00 0.00 N ATOM 837 CZ ARG B 133 -21.839 1.996 -0.539 1.00 0.00 C ATOM 838 NH1 ARG B 133 -22.975 2.498 -0.141 1.00 0.00 N ATOM 839 NH2 ARG B 133 -20.754 2.204 0.155 1.00 0.00 N ATOM 0 H ARG B 133 -19.389 0.800 -5.743 1.00 0.00 H new ATOM 0 HA ARG B 133 -18.618 3.693 -5.928 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -20.081 4.049 -4.051 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.983 3.065 -5.187 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -20.008 1.009 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -19.601 2.173 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -22.111 2.974 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -22.358 1.431 -3.675 1.00 0.00 H new ATOM 0 HE ARG B 133 -21.786 0.265 -1.576 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -23.823 2.334 -0.683 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -23.015 3.055 0.713 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -19.866 1.810 -0.156 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -20.794 2.761 1.009 1.00 0.00 H new ATOM 853 N SER B 134 -16.889 3.546 -4.077 1.00 0.00 N ATOM 854 CA SER B 134 -15.737 3.346 -3.152 1.00 0.00 C ATOM 855 C SER B 134 -16.242 3.270 -1.709 1.00 0.00 C ATOM 856 O SER B 134 -17.051 4.068 -1.280 1.00 0.00 O ATOM 857 CB SER B 134 -14.758 4.515 -3.289 1.00 0.00 C ATOM 858 OG SER B 134 -15.221 5.405 -4.295 1.00 0.00 O ATOM 0 H SER B 134 -16.990 4.491 -4.446 1.00 0.00 H new ATOM 0 HA SER B 134 -15.229 2.416 -3.407 1.00 0.00 H new ATOM 0 HB2 SER B 134 -14.666 5.040 -2.338 1.00 0.00 H new ATOM 0 HB3 SER B 134 -13.766 4.144 -3.545 1.00 0.00 H new ATOM 0 HG SER B 134 -14.524 6.064 -4.495 1.00 0.00 H new ATOM 864 N LEU B 135 -15.766 2.315 -0.956 1.00 0.00 N ATOM 865 CA LEU B 135 -16.213 2.187 0.459 1.00 0.00 C ATOM 866 C LEU B 135 -15.382 3.119 1.342 1.00 0.00 C ATOM 867 O LEU B 135 -15.685 3.327 2.500 1.00 0.00 O ATOM 868 CB LEU B 135 -16.020 0.742 0.926 1.00 0.00 C ATOM 869 CG LEU B 135 -17.041 -0.162 0.235 1.00 0.00 C ATOM 870 CD1 LEU B 135 -16.523 -1.601 0.226 1.00 0.00 C ATOM 871 CD2 LEU B 135 -18.367 -0.100 0.996 1.00 0.00 C ATOM 0 H LEU B 135 -15.087 1.618 -1.261 1.00 0.00 H new ATOM 0 HA LEU B 135 -17.266 2.457 0.532 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -15.009 0.407 0.696 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -16.138 0.680 2.008 1.00 0.00 H new ATOM 0 HG LEU B 135 -17.193 0.174 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -17.250 -2.246 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -15.576 -1.644 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -16.373 -1.940 1.251 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.098 -0.743 0.506 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.215 -0.438 2.021 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -18.734 0.926 1.004 1.00 0.00 H new ATOM 883 N THR B 136 -14.332 3.678 0.805 1.00 0.00 N ATOM 884 CA THR B 136 -13.478 4.594 1.614 1.00 0.00 C ATOM 885 C THR B 136 -14.050 6.012 1.563 1.00 0.00 C ATOM 886 O THR B 136 -14.354 6.606 2.578 1.00 0.00 O ATOM 887 CB THR B 136 -12.055 4.596 1.046 1.00 0.00 C ATOM 888 OG1 THR B 136 -11.461 3.315 1.229 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.218 5.653 1.767 1.00 0.00 C ATOM 0 H THR B 136 -14.028 3.540 -0.159 1.00 0.00 H new ATOM 0 HA THR B 136 -13.458 4.251 2.648 1.00 0.00 H new ATOM 0 HB THR B 136 -12.094 4.826 -0.019 1.00 0.00 H new ATOM 0 HG1 THR B 136 -10.552 3.321 0.863 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.206 5.654 1.362 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.668 6.635 1.621 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.183 5.425 2.832 1.00 0.00 H new ATOM 897 N THR B 137 -14.200 6.561 0.388 1.00 0.00 N ATOM 898 CA THR B 137 -14.750 7.941 0.278 1.00 0.00 C ATOM 899 C THR B 137 -16.227 7.873 -0.119 1.00 0.00 C ATOM 900 O THR B 137 -17.019 8.716 0.255 1.00 0.00 O ATOM 901 CB THR B 137 -13.969 8.720 -0.785 1.00 0.00 C ATOM 902 OG1 THR B 137 -13.958 7.981 -2.000 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.533 8.940 -0.306 1.00 0.00 C ATOM 0 H THR B 137 -13.966 6.114 -0.498 1.00 0.00 H new ATOM 0 HA THR B 137 -14.656 8.446 1.239 1.00 0.00 H new ATOM 0 HB THR B 137 -14.446 9.686 -0.952 1.00 0.00 H new ATOM 0 HG1 THR B 137 -13.460 8.479 -2.681 1.00 0.00 H new ATOM 0 HG21 THR B 137 -11.978 9.494 -1.063 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.543 9.507 0.625 1.00 0.00 H new ATOM 0 HG23 THR B 137 -12.054 7.976 -0.138 1.00 0.00 H new ATOM 911 N GLY B 138 -16.604 6.877 -0.873 1.00 0.00 N ATOM 912 CA GLY B 138 -18.029 6.756 -1.293 1.00 0.00 C ATOM 913 C GLY B 138 -18.179 7.228 -2.740 1.00 0.00 C ATOM 914 O GLY B 138 -19.217 7.069 -3.350 1.00 0.00 O ATOM 0 H GLY B 138 -15.987 6.141 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.359 5.721 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.664 7.352 -0.638 1.00 0.00 H new ATOM 918 N GLU B 139 -17.149 7.808 -3.295 1.00 0.00 N ATOM 919 CA GLU B 139 -17.236 8.289 -4.703 1.00 0.00 C ATOM 920 C GLU B 139 -17.662 7.135 -5.613 1.00 0.00 C ATOM 921 O GLU B 139 -16.982 6.134 -5.721 1.00 0.00 O ATOM 922 CB GLU B 139 -15.868 8.808 -5.149 1.00 0.00 C ATOM 923 CG GLU B 139 -15.728 10.283 -4.764 1.00 0.00 C ATOM 924 CD GLU B 139 -14.268 10.713 -4.912 1.00 0.00 C ATOM 925 OE1 GLU B 139 -13.497 9.941 -5.460 1.00 0.00 O ATOM 926 OE2 GLU B 139 -13.945 11.806 -4.478 1.00 0.00 O ATOM 0 H GLU B 139 -16.253 7.969 -2.835 1.00 0.00 H new ATOM 0 HA GLU B 139 -17.970 9.092 -4.767 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -15.076 8.223 -4.682 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -15.757 8.691 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -16.365 10.898 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -16.061 10.435 -3.737 1.00 0.00 H new ATOM 933 N THR B 140 -18.784 7.265 -6.270 1.00 0.00 N ATOM 934 CA THR B 140 -19.249 6.173 -7.171 1.00 0.00 C ATOM 935 C THR B 140 -18.851 6.496 -8.613 1.00 0.00 C ATOM 936 O THR B 140 -18.858 7.637 -9.029 1.00 0.00 O ATOM 937 CB THR B 140 -20.771 6.043 -7.076 1.00 0.00 C ATOM 938 OG1 THR B 140 -21.218 6.618 -5.855 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.164 4.566 -7.120 1.00 0.00 C ATOM 0 H THR B 140 -19.397 8.079 -6.221 1.00 0.00 H new ATOM 0 HA THR B 140 -18.787 5.233 -6.869 1.00 0.00 H new ATOM 0 HB THR B 140 -21.233 6.564 -7.915 1.00 0.00 H new ATOM 0 HG1 THR B 140 -22.193 6.537 -5.793 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.248 4.476 -7.052 1.00 0.00 H new ATOM 0 HG22 THR B 140 -20.821 4.126 -8.056 1.00 0.00 H new ATOM 0 HG23 THR B 140 -20.703 4.042 -6.283 1.00 0.00 H new ATOM 947 N GLY B 141 -18.504 5.497 -9.380 1.00 0.00 N ATOM 948 CA GLY B 141 -18.105 5.747 -10.795 1.00 0.00 C ATOM 949 C GLY B 141 -18.059 4.422 -11.558 1.00 0.00 C ATOM 950 O GLY B 141 -18.626 3.431 -11.140 1.00 0.00 O ATOM 0 H GLY B 141 -18.480 4.520 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -18.814 6.426 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.129 6.231 -10.828 1.00 0.00 H new ATOM 954 N TYR B 142 -17.390 4.398 -12.680 1.00 0.00 N ATOM 955 CA TYR B 142 -17.310 3.139 -13.475 1.00 0.00 C ATOM 956 C TYR B 142 -15.856 2.673 -13.561 1.00 0.00 C ATOM 957 O TYR B 142 -15.007 3.363 -14.091 1.00 0.00 O ATOM 958 CB TYR B 142 -17.829 3.398 -14.891 1.00 0.00 C ATOM 959 CG TYR B 142 -19.291 3.764 -14.840 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.673 5.079 -14.547 1.00 0.00 C ATOM 961 CD2 TYR B 142 -20.265 2.792 -15.092 1.00 0.00 C ATOM 962 CE1 TYR B 142 -21.030 5.420 -14.503 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.622 3.132 -15.049 1.00 0.00 C ATOM 964 CZ TYR B 142 -22.005 4.446 -14.754 1.00 0.00 C ATOM 965 OH TYR B 142 -23.342 4.781 -14.712 1.00 0.00 O ATOM 0 H TYR B 142 -16.896 5.196 -13.080 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.914 2.372 -12.990 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -17.259 4.203 -15.356 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.688 2.510 -15.508 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.921 5.830 -14.355 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -19.970 1.778 -15.320 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -21.325 6.434 -14.276 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -22.373 2.381 -15.243 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.884 3.989 -14.911 1.00 0.00 H new ATOM 975 N ILE B 143 -15.561 1.503 -13.065 1.00 0.00 N ATOM 976 CA ILE B 143 -14.160 1.002 -13.149 1.00 0.00 C ATOM 977 C ILE B 143 -14.111 -0.214 -14.077 1.00 0.00 C ATOM 978 O ILE B 143 -15.130 -0.793 -14.396 1.00 0.00 O ATOM 979 CB ILE B 143 -13.638 0.613 -11.758 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.181 -0.766 -11.349 1.00 0.00 C ATOM 981 CG2 ILE B 143 -14.075 1.658 -10.732 1.00 0.00 C ATOM 982 CD1 ILE B 143 -15.695 -0.691 -11.138 1.00 0.00 C ATOM 0 H ILE B 143 -16.224 0.876 -12.608 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.527 1.795 -13.546 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.549 0.568 -11.793 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -13.949 -1.501 -12.120 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -13.694 -1.101 -10.433 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.703 1.378 -9.747 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -13.671 2.632 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -15.163 1.711 -10.707 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -16.071 -1.672 -10.849 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -15.917 0.030 -10.351 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -16.176 -0.377 -12.064 1.00 0.00 H new ATOM 994 N PRO B 144 -12.919 -0.558 -14.486 1.00 0.00 N ATOM 995 CA PRO B 144 -12.697 -1.701 -15.385 1.00 0.00 C ATOM 996 C PRO B 144 -13.145 -2.996 -14.699 1.00 0.00 C ATOM 997 O PRO B 144 -12.659 -3.348 -13.643 1.00 0.00 O ATOM 998 CB PRO B 144 -11.182 -1.716 -15.628 1.00 0.00 C ATOM 999 CG PRO B 144 -10.565 -0.548 -14.814 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.700 0.167 -14.089 1.00 0.00 C ATOM 0 HA PRO B 144 -13.259 -1.621 -16.315 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.754 -2.668 -15.316 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.963 -1.600 -16.690 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.833 -0.925 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -10.039 0.142 -15.474 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.558 0.139 -13.009 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.753 1.217 -14.377 1.00 0.00 H new ATOM 1008 N SER B 145 -14.065 -3.709 -15.288 1.00 0.00 N ATOM 1009 CA SER B 145 -14.536 -4.977 -14.664 1.00 0.00 C ATOM 1010 C SER B 145 -13.359 -5.947 -14.544 1.00 0.00 C ATOM 1011 O SER B 145 -13.294 -6.754 -13.638 1.00 0.00 O ATOM 1012 CB SER B 145 -15.625 -5.601 -15.538 1.00 0.00 C ATOM 1013 OG SER B 145 -15.456 -5.167 -16.881 1.00 0.00 O ATOM 0 H SER B 145 -14.510 -3.469 -16.174 1.00 0.00 H new ATOM 0 HA SER B 145 -14.942 -4.770 -13.674 1.00 0.00 H new ATOM 0 HB2 SER B 145 -15.571 -6.688 -15.486 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.611 -5.313 -15.172 1.00 0.00 H new ATOM 0 HG SER B 145 -15.920 -5.784 -17.485 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.427 -5.869 -15.453 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.250 -6.780 -15.401 1.00 0.00 C ATOM 1021 C ASN B 146 -10.330 -6.362 -14.251 1.00 0.00 C ATOM 1022 O ASN B 146 -9.564 -7.152 -13.738 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.491 -6.692 -16.731 1.00 0.00 C ATOM 1024 CG ASN B 146 -9.084 -7.270 -16.569 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -8.913 -8.342 -16.023 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -8.061 -6.599 -17.023 1.00 0.00 N ATOM 0 H ASN B 146 -12.430 -5.211 -16.232 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.582 -7.805 -15.237 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -11.031 -7.239 -17.504 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -10.431 -5.654 -17.057 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -7.118 -6.974 -16.919 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -8.204 -5.699 -17.481 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.396 -5.123 -13.844 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.520 -4.658 -12.731 1.00 0.00 C ATOM 1035 C TYR B 147 -10.211 -4.915 -11.390 1.00 0.00 C ATOM 1036 O TYR B 147 -9.786 -4.434 -10.359 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.243 -3.162 -12.892 1.00 0.00 C ATOM 1038 CG TYR B 147 -7.918 -2.971 -13.592 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.436 -3.959 -14.460 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.170 -1.808 -13.374 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.207 -3.785 -15.107 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -5.941 -1.633 -14.022 1.00 0.00 C ATOM 1043 CZ TYR B 147 -5.461 -2.622 -14.888 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.249 -2.451 -15.526 1.00 0.00 O ATOM 0 H TYR B 147 -11.017 -4.414 -14.233 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.578 -5.205 -12.758 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.042 -2.693 -13.466 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.225 -2.677 -11.916 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.013 -4.856 -14.630 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -7.541 -1.045 -12.706 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -5.835 -4.548 -15.775 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.364 -0.736 -13.854 1.00 0.00 H new ATOM 0 HH TYR B 147 -3.861 -1.590 -15.265 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.271 -5.676 -11.396 1.00 0.00 N ATOM 1055 CA VAL B 148 -11.985 -5.970 -10.122 1.00 0.00 C ATOM 1056 C VAL B 148 -12.445 -7.427 -10.126 1.00 0.00 C ATOM 1057 O VAL B 148 -12.706 -8.003 -11.163 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.198 -5.051 -9.993 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -12.732 -3.595 -9.955 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.125 -5.258 -11.193 1.00 0.00 C ATOM 0 H VAL B 148 -11.673 -6.107 -12.228 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.314 -5.802 -9.280 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.735 -5.285 -9.074 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -13.597 -2.938 -9.863 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.071 -3.447 -9.101 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.195 -3.361 -10.874 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -14.991 -4.602 -11.101 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.588 -5.024 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.457 -6.296 -11.221 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.546 -8.031 -8.974 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.987 -9.453 -8.919 1.00 0.00 C ATOM 1072 C ALA B 149 -13.776 -9.699 -7.629 1.00 0.00 C ATOM 1073 O ALA B 149 -13.584 -9.010 -6.648 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.763 -10.368 -8.946 1.00 0.00 C ATOM 0 H ALA B 149 -12.343 -7.603 -8.071 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.622 -9.666 -9.779 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -12.086 -11.408 -8.906 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -11.201 -10.197 -9.865 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -11.128 -10.152 -8.087 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.639 -10.682 -7.673 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.471 -11.045 -6.513 1.00 0.00 C ATOM 1082 C PRO B 150 -14.582 -11.451 -5.335 1.00 0.00 C ATOM 1083 O PRO B 150 -13.487 -11.947 -5.514 1.00 0.00 O ATOM 1084 CB PRO B 150 -16.314 -12.237 -6.991 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.925 -12.529 -8.463 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.853 -11.507 -8.876 1.00 0.00 C ATOM 0 HA PRO B 150 -16.092 -10.218 -6.170 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -16.130 -13.111 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -17.377 -12.009 -6.914 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.543 -13.545 -8.563 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.798 -12.451 -9.112 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.933 -12.002 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -15.187 -10.901 -9.718 1.00 0.00 H new ATOM 1094 N VAL B 151 -15.043 -11.245 -4.133 1.00 0.00 N ATOM 1095 CA VAL B 151 -14.222 -11.620 -2.949 1.00 0.00 C ATOM 1096 C VAL B 151 -14.733 -12.943 -2.374 1.00 0.00 C ATOM 1097 O VAL B 151 -13.908 -13.746 -1.969 1.00 0.00 O ATOM 1098 CB VAL B 151 -14.330 -10.526 -1.885 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -13.145 -10.632 -0.924 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -14.311 -9.153 -2.562 1.00 0.00 C ATOM 0 H VAL B 151 -15.952 -10.834 -3.920 1.00 0.00 H new ATOM 0 HA VAL B 151 -13.180 -11.732 -3.250 1.00 0.00 H new ATOM 0 HB VAL B 151 -15.261 -10.648 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -13.221 -9.853 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -13.154 -11.610 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -12.215 -10.509 -1.479 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -14.388 -8.373 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -13.379 -9.032 -3.114 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -15.153 -9.075 -3.250 1.00 0.00 H new