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 Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot 94:sc= 0.0394 USER MOD Single : B 107 THR OG1 : rot 180:sc= -0.158 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.043) 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= -3.71! C(o=-3.7!,f=-5.1!) USER MOD Single : B 123 ASN : amide:sc= -0.437 K(o=-0.44,f=-2.4!) USER MOD Single : B 124 SER OG : rot 140:sc= -5.23! USER MOD Single : B 134 SER OG : rot -13:sc= 0.7 USER MOD Single : B 136 THR OG1 : rot 121:sc= 0.181 USER MOD Single : B 137 THR OG1 : rot 147:sc= -2.25! USER MOD Single : B 140 THR OG1 : rot -172:sc= -0.815 USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot -107:sc= 0.459 USER MOD Single : B 146 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.6!) USER MOD Single : B 147 TYR OH : rot -75:sc= -1.24! USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -10.473 -0.493 -21.418 1.00 0.00 N ATOM 70 CA LEU A 95 -10.198 -1.778 -20.712 1.00 0.00 C ATOM 71 C LEU A 95 -8.692 -2.058 -20.759 1.00 0.00 C ATOM 72 O LEU A 95 -8.185 -2.515 -21.764 1.00 0.00 O ATOM 73 CB LEU A 95 -10.945 -2.913 -21.417 1.00 0.00 C ATOM 74 CG LEU A 95 -11.549 -3.857 -20.377 1.00 0.00 C ATOM 75 CD1 LEU A 95 -10.464 -4.297 -19.392 1.00 0.00 C ATOM 76 CD2 LEU A 95 -12.663 -3.134 -19.621 1.00 0.00 C ATOM 0 HA LEU A 95 -10.531 -1.711 -19.676 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.731 -2.505 -22.052 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.263 -3.461 -22.067 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.959 -4.734 -20.878 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -10.896 -4.970 -18.651 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.670 -4.813 -19.932 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.052 -3.422 -18.890 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.095 -3.806 -18.879 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -12.253 -2.256 -19.121 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.437 -2.823 -20.323 1.00 0.00 H new ATOM 88 N PRO A 96 -8.017 -1.772 -19.674 1.00 0.00 N ATOM 89 CA PRO A 96 -6.562 -1.987 -19.583 1.00 0.00 C ATOM 90 C PRO A 96 -6.229 -3.464 -19.802 1.00 0.00 C ATOM 91 O PRO A 96 -6.907 -4.344 -19.310 1.00 0.00 O ATOM 92 CB PRO A 96 -6.187 -1.545 -18.161 1.00 0.00 C ATOM 93 CG PRO A 96 -7.484 -1.069 -17.457 1.00 0.00 C ATOM 94 CD PRO A 96 -8.641 -1.220 -18.457 1.00 0.00 C ATOM 0 HA PRO A 96 -6.011 -1.429 -20.340 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.734 -2.370 -17.611 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.452 -0.741 -18.192 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.673 -1.661 -16.562 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.387 -0.031 -17.138 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.413 -1.886 -18.071 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.118 -0.261 -18.657 1.00 0.00 H new ATOM 238 N LEU B 86 -19.066 -8.322 -2.919 1.00 0.00 N ATOM 239 CA LEU B 86 -18.154 -7.146 -2.996 1.00 0.00 C ATOM 240 C LEU B 86 -16.991 -7.472 -3.935 1.00 0.00 C ATOM 241 O LEU B 86 -16.600 -8.614 -4.078 1.00 0.00 O ATOM 242 CB LEU B 86 -17.613 -6.826 -1.600 1.00 0.00 C ATOM 243 CG LEU B 86 -18.399 -5.655 -1.006 1.00 0.00 C ATOM 244 CD1 LEU B 86 -19.874 -6.041 -0.876 1.00 0.00 C ATOM 245 CD2 LEU B 86 -17.837 -5.316 0.378 1.00 0.00 C ATOM 0 HA LEU B 86 -18.700 -6.283 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -17.699 -7.701 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.554 -6.576 -1.657 1.00 0.00 H new ATOM 0 HG LEU B 86 -18.308 -4.788 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -20.433 -5.206 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -20.275 -6.284 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -19.967 -6.908 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -18.395 -4.482 0.803 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -17.929 -6.184 1.031 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -16.786 -5.040 0.287 1.00 0.00 H new ATOM 257 N PHE B 87 -16.438 -6.483 -4.583 1.00 0.00 N ATOM 258 CA PHE B 87 -15.307 -6.750 -5.514 1.00 0.00 C ATOM 259 C PHE B 87 -14.118 -5.854 -5.161 1.00 0.00 C ATOM 260 O PHE B 87 -14.245 -4.650 -5.050 1.00 0.00 O ATOM 261 CB PHE B 87 -15.756 -6.461 -6.948 1.00 0.00 C ATOM 262 CG PHE B 87 -16.890 -7.388 -7.315 1.00 0.00 C ATOM 263 CD1 PHE B 87 -18.148 -7.229 -6.720 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.683 -8.410 -8.248 1.00 0.00 C ATOM 265 CE1 PHE B 87 -19.197 -8.090 -7.059 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.733 -9.272 -8.588 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.991 -9.112 -7.994 1.00 0.00 C ATOM 0 H PHE B 87 -16.720 -5.506 -4.508 1.00 0.00 H new ATOM 0 HA PHE B 87 -15.005 -7.794 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -16.076 -5.423 -7.038 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.922 -6.598 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.308 -6.441 -5.999 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.713 -8.534 -8.706 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -20.166 -7.967 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.573 -10.060 -9.308 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.801 -9.776 -8.257 1.00 0.00 H new ATOM 277 N VAL B 88 -12.960 -6.433 -4.988 1.00 0.00 N ATOM 278 CA VAL B 88 -11.761 -5.617 -4.648 1.00 0.00 C ATOM 279 C VAL B 88 -11.009 -5.274 -5.936 1.00 0.00 C ATOM 280 O VAL B 88 -11.146 -5.944 -6.941 1.00 0.00 O ATOM 281 CB VAL B 88 -10.844 -6.413 -3.714 1.00 0.00 C ATOM 282 CG1 VAL B 88 -10.022 -5.447 -2.859 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.692 -7.302 -2.801 1.00 0.00 C ATOM 0 H VAL B 88 -12.794 -7.436 -5.068 1.00 0.00 H new ATOM 0 HA VAL B 88 -12.071 -4.700 -4.147 1.00 0.00 H new ATOM 0 HB VAL B 88 -10.174 -7.034 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -9.370 -6.014 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.417 -4.812 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.693 -4.825 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -11.040 -7.868 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -12.362 -6.680 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -12.279 -7.992 -3.408 1.00 0.00 H new ATOM 293 N ALA B 89 -10.219 -4.235 -5.919 1.00 0.00 N ATOM 294 CA ALA B 89 -9.467 -3.852 -7.149 1.00 0.00 C ATOM 295 C ALA B 89 -8.160 -4.646 -7.219 1.00 0.00 C ATOM 296 O ALA B 89 -7.268 -4.466 -6.415 1.00 0.00 O ATOM 297 CB ALA B 89 -9.154 -2.354 -7.109 1.00 0.00 C ATOM 0 H ALA B 89 -10.062 -3.636 -5.109 1.00 0.00 H new ATOM 0 HA ALA B 89 -10.072 -4.074 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.604 -2.073 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -10.085 -1.789 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.549 -2.132 -6.230 1.00 0.00 H new ATOM 303 N LEU B 100 -8.043 -5.525 -8.179 1.00 0.00 N ATOM 304 CA LEU B 100 -6.796 -6.334 -8.303 1.00 0.00 C ATOM 305 C LEU B 100 -5.727 -5.514 -9.031 1.00 0.00 C ATOM 306 O LEU B 100 -4.583 -5.910 -9.120 1.00 0.00 O ATOM 307 CB LEU B 100 -7.081 -7.609 -9.104 1.00 0.00 C ATOM 308 CG LEU B 100 -8.428 -8.202 -8.682 1.00 0.00 C ATOM 309 CD1 LEU B 100 -9.218 -8.608 -9.928 1.00 0.00 C ATOM 310 CD2 LEU B 100 -8.191 -9.437 -7.810 1.00 0.00 C ATOM 0 H LEU B 100 -8.757 -5.717 -8.882 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.443 -6.602 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.092 -7.384 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.286 -8.337 -8.940 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.991 -7.458 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -10.177 -9.030 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.387 -7.731 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.654 -9.352 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -9.150 -9.860 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.629 -10.180 -8.376 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.625 -9.153 -6.923 1.00 0.00 H new ATOM 322 N TYR B 101 -6.094 -4.378 -9.557 1.00 0.00 N ATOM 323 CA TYR B 101 -5.098 -3.540 -10.283 1.00 0.00 C ATOM 324 C TYR B 101 -5.370 -2.060 -10.004 1.00 0.00 C ATOM 325 O TYR B 101 -6.488 -1.665 -9.741 1.00 0.00 O ATOM 326 CB TYR B 101 -5.220 -3.800 -11.786 1.00 0.00 C ATOM 327 CG TYR B 101 -3.854 -4.080 -12.364 1.00 0.00 C ATOM 328 CD1 TYR B 101 -3.118 -5.184 -11.917 1.00 0.00 C ATOM 329 CD2 TYR B 101 -3.324 -3.236 -13.346 1.00 0.00 C ATOM 330 CE1 TYR B 101 -1.852 -5.445 -12.454 1.00 0.00 C ATOM 331 CE2 TYR B 101 -2.058 -3.496 -13.883 1.00 0.00 C ATOM 332 CZ TYR B 101 -1.322 -4.600 -13.437 1.00 0.00 C ATOM 333 OH TYR B 101 -0.074 -4.858 -13.968 1.00 0.00 O ATOM 0 H TYR B 101 -7.038 -3.994 -9.516 1.00 0.00 H new ATOM 0 HA TYR B 101 -4.094 -3.795 -9.944 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.883 -4.646 -11.966 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -5.665 -2.936 -12.280 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -3.527 -5.834 -11.158 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -3.892 -2.384 -13.690 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -1.284 -6.297 -12.111 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -1.649 -2.845 -14.641 1.00 0.00 H new ATOM 0 HH TYR B 101 0.143 -4.177 -14.638 1.00 0.00 H new ATOM 343 N ASP B 102 -4.358 -1.239 -10.068 1.00 0.00 N ATOM 344 CA ASP B 102 -4.563 0.215 -9.816 1.00 0.00 C ATOM 345 C ASP B 102 -5.096 0.871 -11.090 1.00 0.00 C ATOM 346 O ASP B 102 -4.818 0.430 -12.188 1.00 0.00 O ATOM 347 CB ASP B 102 -3.232 0.862 -9.426 1.00 0.00 C ATOM 348 CG ASP B 102 -2.165 0.501 -10.462 1.00 0.00 C ATOM 349 OD1 ASP B 102 -2.099 1.178 -11.476 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.432 -0.444 -10.225 1.00 0.00 O ATOM 0 H ASP B 102 -3.399 -1.512 -10.284 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.278 0.350 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -3.345 1.945 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -2.925 0.520 -8.438 1.00 0.00 H new ATOM 355 N TYR B 103 -5.864 1.916 -10.958 1.00 0.00 N ATOM 356 CA TYR B 103 -6.413 2.588 -12.169 1.00 0.00 C ATOM 357 C TYR B 103 -6.414 4.104 -11.965 1.00 0.00 C ATOM 358 O TYR B 103 -6.774 4.601 -10.917 1.00 0.00 O ATOM 359 CB TYR B 103 -7.845 2.108 -12.412 1.00 0.00 C ATOM 360 CG TYR B 103 -8.422 2.834 -13.603 1.00 0.00 C ATOM 361 CD1 TYR B 103 -7.747 2.814 -14.829 1.00 0.00 C ATOM 362 CD2 TYR B 103 -9.631 3.530 -13.480 1.00 0.00 C ATOM 363 CE1 TYR B 103 -8.280 3.489 -15.933 1.00 0.00 C ATOM 364 CE2 TYR B 103 -10.164 4.205 -14.585 1.00 0.00 C ATOM 365 CZ TYR B 103 -9.489 4.185 -15.811 1.00 0.00 C ATOM 366 OH TYR B 103 -10.015 4.850 -16.899 1.00 0.00 O ATOM 0 H TYR B 103 -6.135 2.333 -10.067 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.792 2.341 -13.030 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.855 1.032 -12.588 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.457 2.292 -11.529 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -6.814 2.277 -14.923 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -10.152 3.546 -12.534 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -7.759 3.473 -16.879 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -11.097 4.741 -14.491 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.647 4.265 -17.366 1.00 0.00 H new ATOM 376 N GLU B 104 -6.020 4.842 -12.966 1.00 0.00 N ATOM 377 CA GLU B 104 -6.002 6.326 -12.841 1.00 0.00 C ATOM 378 C GLU B 104 -7.080 6.918 -13.753 1.00 0.00 C ATOM 379 O GLU B 104 -6.852 7.162 -14.920 1.00 0.00 O ATOM 380 CB GLU B 104 -4.631 6.859 -13.260 1.00 0.00 C ATOM 381 CG GLU B 104 -3.707 6.906 -12.042 1.00 0.00 C ATOM 382 CD GLU B 104 -2.432 7.672 -12.398 1.00 0.00 C ATOM 383 OE1 GLU B 104 -1.873 7.398 -13.447 1.00 0.00 O ATOM 384 OE2 GLU B 104 -2.036 8.520 -11.615 1.00 0.00 O ATOM 0 H GLU B 104 -5.709 4.480 -13.867 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.197 6.609 -11.807 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.201 6.220 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.733 7.855 -13.691 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.213 7.390 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.459 5.894 -11.721 1.00 0.00 H new ATOM 391 N ALA B 105 -8.253 7.142 -13.230 1.00 0.00 N ATOM 392 CA ALA B 105 -9.345 7.709 -14.067 1.00 0.00 C ATOM 393 C ALA B 105 -8.951 9.102 -14.563 1.00 0.00 C ATOM 394 O ALA B 105 -8.828 10.034 -13.792 1.00 0.00 O ATOM 395 CB ALA B 105 -10.624 7.810 -13.236 1.00 0.00 C ATOM 0 H ALA B 105 -8.502 6.957 -12.258 1.00 0.00 H new ATOM 0 HA ALA B 105 -9.514 7.057 -14.924 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.424 8.225 -13.849 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -10.911 6.818 -12.888 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.450 8.459 -12.378 1.00 0.00 H new ATOM 401 N ARG B 106 -8.765 9.254 -15.845 1.00 0.00 N ATOM 402 CA ARG B 106 -8.394 10.590 -16.390 1.00 0.00 C ATOM 403 C ARG B 106 -9.668 11.398 -16.648 1.00 0.00 C ATOM 404 O ARG B 106 -9.620 12.538 -17.067 1.00 0.00 O ATOM 405 CB ARG B 106 -7.623 10.414 -17.702 1.00 0.00 C ATOM 406 CG ARG B 106 -6.604 9.281 -17.553 1.00 0.00 C ATOM 407 CD ARG B 106 -5.189 9.860 -17.558 1.00 0.00 C ATOM 408 NE ARG B 106 -4.888 10.452 -16.224 1.00 0.00 N ATOM 409 CZ ARG B 106 -4.185 11.548 -16.139 1.00 0.00 C ATOM 410 NH1 ARG B 106 -3.036 11.636 -16.751 1.00 0.00 N ATOM 411 NH2 ARG B 106 -4.633 12.557 -15.444 1.00 0.00 N ATOM 0 H ARG B 106 -8.854 8.511 -16.538 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.765 11.117 -15.672 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.314 10.190 -18.514 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.114 11.342 -17.963 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -6.782 8.738 -16.625 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.718 8.566 -18.368 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -4.466 9.079 -17.792 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -5.099 10.621 -18.334 1.00 0.00 H new ATOM 0 HE ARG B 106 -5.232 10.000 -15.377 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -2.687 10.848 -17.296 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -2.487 12.493 -16.684 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -5.532 12.489 -14.967 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -4.084 13.414 -15.377 1.00 0.00 H new ATOM 425 N THR B 107 -10.811 10.815 -16.400 1.00 0.00 N ATOM 426 CA THR B 107 -12.091 11.544 -16.627 1.00 0.00 C ATOM 427 C THR B 107 -12.958 11.435 -15.371 1.00 0.00 C ATOM 428 O THR B 107 -12.626 10.732 -14.437 1.00 0.00 O ATOM 429 CB THR B 107 -12.831 10.916 -17.810 1.00 0.00 C ATOM 430 OG1 THR B 107 -14.002 11.671 -18.088 1.00 0.00 O ATOM 431 CG2 THR B 107 -13.219 9.479 -17.462 1.00 0.00 C ATOM 0 H THR B 107 -10.912 9.863 -16.049 1.00 0.00 H new ATOM 0 HA THR B 107 -11.884 12.592 -16.843 1.00 0.00 H new ATOM 0 HB THR B 107 -12.184 10.914 -18.687 1.00 0.00 H new ATOM 0 HG1 THR B 107 -14.477 11.271 -18.846 1.00 0.00 H new ATOM 0 HG21 THR B 107 -13.746 9.030 -18.304 1.00 0.00 H new ATOM 0 HG22 THR B 107 -12.320 8.901 -17.247 1.00 0.00 H new ATOM 0 HG23 THR B 107 -13.868 9.479 -16.586 1.00 0.00 H new ATOM 439 N GLU B 108 -14.067 12.120 -15.340 1.00 0.00 N ATOM 440 CA GLU B 108 -14.951 12.047 -14.142 1.00 0.00 C ATOM 441 C GLU B 108 -15.967 10.917 -14.323 1.00 0.00 C ATOM 442 O GLU B 108 -16.780 10.658 -13.459 1.00 0.00 O ATOM 443 CB GLU B 108 -15.691 13.376 -13.973 1.00 0.00 C ATOM 444 CG GLU B 108 -16.720 13.534 -15.094 1.00 0.00 C ATOM 445 CD GLU B 108 -17.304 14.947 -15.055 1.00 0.00 C ATOM 446 OE1 GLU B 108 -17.383 15.504 -13.973 1.00 0.00 O ATOM 447 OE2 GLU B 108 -17.664 15.447 -16.108 1.00 0.00 O ATOM 0 H GLU B 108 -14.399 12.726 -16.090 1.00 0.00 H new ATOM 0 HA GLU B 108 -14.346 11.852 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.187 13.407 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -14.983 14.204 -13.996 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -16.252 13.349 -16.061 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -17.515 12.797 -14.979 1.00 0.00 H new ATOM 454 N ASP B 109 -15.928 10.241 -15.441 1.00 0.00 N ATOM 455 CA ASP B 109 -16.894 9.131 -15.673 1.00 0.00 C ATOM 456 C ASP B 109 -16.437 7.884 -14.912 1.00 0.00 C ATOM 457 O ASP B 109 -17.233 7.176 -14.329 1.00 0.00 O ATOM 458 CB ASP B 109 -16.963 8.818 -17.169 1.00 0.00 C ATOM 459 CG ASP B 109 -17.738 9.926 -17.885 1.00 0.00 C ATOM 460 OD1 ASP B 109 -17.268 11.052 -17.876 1.00 0.00 O ATOM 461 OD2 ASP B 109 -18.788 9.629 -18.430 1.00 0.00 O ATOM 0 H ASP B 109 -15.270 10.410 -16.201 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.880 9.431 -15.318 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -15.957 8.737 -17.582 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.451 7.856 -17.328 1.00 0.00 H new ATOM 466 N ASP B 110 -15.161 7.610 -14.912 1.00 0.00 N ATOM 467 CA ASP B 110 -14.659 6.409 -14.187 1.00 0.00 C ATOM 468 C ASP B 110 -14.206 6.816 -12.784 1.00 0.00 C ATOM 469 O ASP B 110 -14.465 7.914 -12.333 1.00 0.00 O ATOM 470 CB ASP B 110 -13.478 5.807 -14.953 1.00 0.00 C ATOM 471 CG ASP B 110 -13.881 5.572 -16.409 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.386 4.499 -16.698 1.00 0.00 O ATOM 473 OD2 ASP B 110 -13.680 6.468 -17.211 1.00 0.00 O ATOM 0 H ASP B 110 -14.446 8.165 -15.382 1.00 0.00 H new ATOM 0 HA ASP B 110 -15.456 5.669 -14.111 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.620 6.478 -14.906 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -13.173 4.867 -14.493 1.00 0.00 H new ATOM 478 N LEU B 111 -13.535 5.940 -12.088 1.00 0.00 N ATOM 479 CA LEU B 111 -13.070 6.281 -10.713 1.00 0.00 C ATOM 480 C LEU B 111 -11.546 6.174 -10.643 1.00 0.00 C ATOM 481 O LEU B 111 -10.891 5.824 -11.604 1.00 0.00 O ATOM 482 CB LEU B 111 -13.689 5.308 -9.707 1.00 0.00 C ATOM 483 CG LEU B 111 -15.211 5.324 -9.845 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.743 3.892 -9.757 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.814 6.163 -8.717 1.00 0.00 C ATOM 0 H LEU B 111 -13.289 5.004 -12.411 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.375 7.300 -10.474 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.309 4.301 -9.879 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.403 5.587 -8.693 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.487 5.756 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.829 3.900 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.311 3.293 -10.559 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.469 3.461 -8.794 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.900 6.176 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.540 5.730 -7.755 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.432 7.182 -8.778 1.00 0.00 H new ATOM 497 N SER B 112 -10.980 6.468 -9.505 1.00 0.00 N ATOM 498 CA SER B 112 -9.500 6.380 -9.358 1.00 0.00 C ATOM 499 C SER B 112 -9.173 5.680 -8.039 1.00 0.00 C ATOM 500 O SER B 112 -9.729 5.994 -7.005 1.00 0.00 O ATOM 501 CB SER B 112 -8.901 7.787 -9.352 1.00 0.00 C ATOM 502 OG SER B 112 -7.591 7.742 -9.902 1.00 0.00 O ATOM 0 H SER B 112 -11.481 6.766 -8.668 1.00 0.00 H new ATOM 0 HA SER B 112 -9.080 5.815 -10.190 1.00 0.00 H new ATOM 0 HB2 SER B 112 -9.528 8.464 -9.932 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.867 8.176 -8.334 1.00 0.00 H new ATOM 0 HG SER B 112 -7.205 8.643 -9.901 1.00 0.00 H new ATOM 508 N PHE B 113 -8.284 4.725 -8.061 1.00 0.00 N ATOM 509 CA PHE B 113 -7.941 4.006 -6.801 1.00 0.00 C ATOM 510 C PHE B 113 -6.670 3.181 -7.002 1.00 0.00 C ATOM 511 O PHE B 113 -6.046 3.222 -8.044 1.00 0.00 O ATOM 512 CB PHE B 113 -9.091 3.069 -6.433 1.00 0.00 C ATOM 513 CG PHE B 113 -9.432 2.209 -7.628 1.00 0.00 C ATOM 514 CD1 PHE B 113 -8.664 1.074 -7.915 1.00 0.00 C ATOM 515 CD2 PHE B 113 -10.514 2.549 -8.450 1.00 0.00 C ATOM 516 CE1 PHE B 113 -8.977 0.279 -9.025 1.00 0.00 C ATOM 517 CE2 PHE B 113 -10.827 1.754 -9.559 1.00 0.00 C ATOM 518 CZ PHE B 113 -10.059 0.619 -9.847 1.00 0.00 C ATOM 0 H PHE B 113 -7.782 4.413 -8.892 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.778 4.732 -6.004 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.809 2.442 -5.587 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.962 3.647 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -7.830 0.811 -7.281 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -11.107 3.424 -8.228 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -8.384 -0.596 -9.247 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -11.661 2.016 -10.193 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.301 0.006 -10.703 1.00 0.00 H new ATOM 528 N HIS B 114 -6.292 2.426 -6.008 1.00 0.00 N ATOM 529 CA HIS B 114 -5.071 1.585 -6.129 1.00 0.00 C ATOM 530 C HIS B 114 -5.420 0.141 -5.764 1.00 0.00 C ATOM 531 O HIS B 114 -6.229 -0.108 -4.892 1.00 0.00 O ATOM 532 CB HIS B 114 -3.994 2.107 -5.175 1.00 0.00 C ATOM 533 CG HIS B 114 -3.863 3.596 -5.331 1.00 0.00 C ATOM 534 ND1 HIS B 114 -4.472 4.488 -4.462 1.00 0.00 N ATOM 535 CD2 HIS B 114 -3.192 4.367 -6.249 1.00 0.00 C ATOM 536 CE1 HIS B 114 -4.159 5.731 -4.870 1.00 0.00 C ATOM 537 NE2 HIS B 114 -3.381 5.714 -5.956 1.00 0.00 N ATOM 0 H HIS B 114 -6.779 2.356 -5.114 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.697 1.626 -7.152 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.255 1.860 -4.146 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -3.040 1.623 -5.387 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -2.607 3.986 -7.073 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -4.495 6.633 -4.380 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -3.006 6.516 -6.462 1.00 0.00 H new ATOM 545 N LYS B 115 -4.820 -0.812 -6.423 1.00 0.00 N ATOM 546 CA LYS B 115 -5.123 -2.238 -6.112 1.00 0.00 C ATOM 547 C LYS B 115 -5.179 -2.428 -4.594 1.00 0.00 C ATOM 548 O LYS B 115 -4.234 -2.140 -3.887 1.00 0.00 O ATOM 549 CB LYS B 115 -4.026 -3.129 -6.697 1.00 0.00 C ATOM 550 CG LYS B 115 -2.699 -2.829 -5.999 1.00 0.00 C ATOM 551 CD LYS B 115 -1.547 -3.414 -6.818 1.00 0.00 C ATOM 552 CE LYS B 115 -1.310 -4.865 -6.400 1.00 0.00 C ATOM 553 NZ LYS B 115 -0.250 -5.464 -7.259 1.00 0.00 N ATOM 0 H LYS B 115 -4.133 -0.665 -7.163 1.00 0.00 H new ATOM 0 HA LYS B 115 -6.084 -2.510 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -4.288 -4.179 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -3.933 -2.954 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -2.570 -1.752 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -2.699 -3.255 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -1.781 -3.364 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -0.642 -2.827 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -1.012 -4.909 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS B 115 -2.234 -5.436 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 -0.089 -6.451 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 -0.552 -5.435 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 0.632 -4.924 -7.149 1.00 0.00 H new ATOM 567 N GLY B 116 -6.280 -2.914 -4.087 1.00 0.00 N ATOM 568 CA GLY B 116 -6.395 -3.121 -2.616 1.00 0.00 C ATOM 569 C GLY B 116 -7.621 -2.372 -2.088 1.00 0.00 C ATOM 570 O GLY B 116 -8.080 -2.611 -0.989 1.00 0.00 O ATOM 0 H GLY B 116 -7.104 -3.176 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.482 -4.185 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.495 -2.764 -2.116 1.00 0.00 H new ATOM 574 N GLU B 117 -8.155 -1.468 -2.863 1.00 0.00 N ATOM 575 CA GLU B 117 -9.350 -0.707 -2.403 1.00 0.00 C ATOM 576 C GLU B 117 -10.609 -1.546 -2.631 1.00 0.00 C ATOM 577 O GLU B 117 -10.805 -2.117 -3.685 1.00 0.00 O ATOM 578 CB GLU B 117 -9.458 0.601 -3.191 1.00 0.00 C ATOM 579 CG GLU B 117 -9.343 1.784 -2.229 1.00 0.00 C ATOM 580 CD GLU B 117 -10.743 2.263 -1.842 1.00 0.00 C ATOM 581 OE1 GLU B 117 -11.494 1.466 -1.306 1.00 0.00 O ATOM 582 OE2 GLU B 117 -11.039 3.421 -2.088 1.00 0.00 O ATOM 0 H GLU B 117 -7.816 -1.224 -3.793 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.250 -0.483 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.670 0.652 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -10.409 0.641 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.788 1.490 -1.338 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.786 2.595 -2.698 1.00 0.00 H new ATOM 589 N LYS B 118 -11.465 -1.626 -1.648 1.00 0.00 N ATOM 590 CA LYS B 118 -12.710 -2.429 -1.807 1.00 0.00 C ATOM 591 C LYS B 118 -13.708 -1.664 -2.678 1.00 0.00 C ATOM 592 O LYS B 118 -13.710 -0.450 -2.713 1.00 0.00 O ATOM 593 CB LYS B 118 -13.327 -2.685 -0.430 1.00 0.00 C ATOM 594 CG LYS B 118 -12.272 -3.289 0.497 1.00 0.00 C ATOM 595 CD LYS B 118 -11.750 -4.594 -0.106 1.00 0.00 C ATOM 596 CE LYS B 118 -12.041 -5.751 0.851 1.00 0.00 C ATOM 597 NZ LYS B 118 -10.920 -5.883 1.823 1.00 0.00 N ATOM 0 H LYS B 118 -11.355 -1.170 -0.742 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.470 -3.380 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -13.705 -1.753 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.177 -3.361 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -11.450 -2.586 0.637 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.702 -3.477 1.481 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -12.225 -4.777 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -10.678 -4.520 -0.288 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -12.977 -5.573 1.380 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -12.163 -6.678 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -11.116 -6.669 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -10.036 -6.071 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -10.824 -5.000 2.365 1.00 0.00 H new ATOM 611 N PHE B 119 -14.555 -2.364 -3.382 1.00 0.00 N ATOM 612 CA PHE B 119 -15.551 -1.673 -4.250 1.00 0.00 C ATOM 613 C PHE B 119 -16.888 -2.412 -4.187 1.00 0.00 C ATOM 614 O PHE B 119 -16.959 -3.556 -3.784 1.00 0.00 O ATOM 615 CB PHE B 119 -15.049 -1.666 -5.695 1.00 0.00 C ATOM 616 CG PHE B 119 -14.053 -0.548 -5.877 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.489 0.783 -5.889 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.694 -0.840 -6.036 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.566 1.819 -6.060 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.770 0.196 -6.206 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.206 1.526 -6.218 1.00 0.00 C ATOM 0 H PHE B 119 -14.601 -3.383 -3.394 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.683 -0.649 -3.901 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.585 -2.623 -5.935 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.886 -1.537 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.538 1.009 -5.766 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.358 -1.866 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.902 2.845 -6.070 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.721 -0.030 -6.328 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.493 2.327 -6.349 1.00 0.00 H new ATOM 631 N GLN B 120 -17.950 -1.768 -4.588 1.00 0.00 N ATOM 632 CA GLN B 120 -19.282 -2.434 -4.558 1.00 0.00 C ATOM 633 C GLN B 120 -19.895 -2.401 -5.960 1.00 0.00 C ATOM 634 O GLN B 120 -20.441 -1.403 -6.386 1.00 0.00 O ATOM 635 CB GLN B 120 -20.200 -1.699 -3.579 1.00 0.00 C ATOM 636 CG GLN B 120 -19.998 -2.260 -2.170 1.00 0.00 C ATOM 637 CD GLN B 120 -21.303 -2.141 -1.381 1.00 0.00 C ATOM 638 OE1 GLN B 120 -22.314 -1.728 -1.916 1.00 0.00 O ATOM 639 NE2 GLN B 120 -21.326 -2.491 -0.125 1.00 0.00 N ATOM 0 H GLN B 120 -17.952 -0.809 -4.935 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.166 -3.469 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.982 -0.631 -3.591 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.240 -1.815 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.687 -3.303 -2.224 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.202 -1.716 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -20.478 -2.837 0.324 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.192 -2.418 0.409 1.00 0.00 H new ATOM 648 N ILE B 121 -19.808 -3.485 -6.681 1.00 0.00 N ATOM 649 CA ILE B 121 -20.382 -3.514 -8.056 1.00 0.00 C ATOM 650 C ILE B 121 -21.910 -3.532 -7.974 1.00 0.00 C ATOM 651 O ILE B 121 -22.518 -4.566 -7.779 1.00 0.00 O ATOM 652 CB ILE B 121 -19.900 -4.770 -8.789 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.372 -4.834 -8.749 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.366 -4.718 -10.246 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.790 -3.650 -9.525 1.00 0.00 C ATOM 0 H ILE B 121 -19.364 -4.352 -6.377 1.00 0.00 H new ATOM 0 HA ILE B 121 -20.056 -2.627 -8.600 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.313 -5.653 -8.302 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -18.024 -4.812 -7.716 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -18.025 -5.772 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.024 -5.611 -10.769 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.455 -4.673 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -19.952 -3.833 -10.729 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.701 -3.696 -9.496 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.128 -3.692 -10.560 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.126 -2.717 -9.072 1.00 0.00 H new ATOM 667 N LEU B 122 -22.536 -2.398 -8.128 1.00 0.00 N ATOM 668 CA LEU B 122 -24.025 -2.355 -8.064 1.00 0.00 C ATOM 669 C LEU B 122 -24.600 -2.695 -9.441 1.00 0.00 C ATOM 670 O LEU B 122 -25.775 -2.969 -9.585 1.00 0.00 O ATOM 671 CB LEU B 122 -24.483 -0.954 -7.653 1.00 0.00 C ATOM 672 CG LEU B 122 -23.680 0.094 -8.426 1.00 0.00 C ATOM 673 CD1 LEU B 122 -24.635 1.123 -9.033 1.00 0.00 C ATOM 674 CD2 LEU B 122 -22.713 0.797 -7.471 1.00 0.00 C ATOM 0 H LEU B 122 -22.082 -1.500 -8.295 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.378 -3.079 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -25.547 -0.834 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -24.345 -0.815 -6.581 1.00 0.00 H new ATOM 0 HG LEU B 122 -23.117 -0.392 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -24.063 1.870 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -25.326 0.622 -9.711 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -25.197 1.611 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.139 1.544 -8.019 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -23.277 1.284 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -22.033 0.064 -7.037 1.00 0.00 H new ATOM 686 N ASN B 123 -23.777 -2.680 -10.454 1.00 0.00 N ATOM 687 CA ASN B 123 -24.269 -3.000 -11.824 1.00 0.00 C ATOM 688 C ASN B 123 -23.111 -3.545 -12.663 1.00 0.00 C ATOM 689 O ASN B 123 -21.964 -3.214 -12.442 1.00 0.00 O ATOM 690 CB ASN B 123 -24.821 -1.731 -12.479 1.00 0.00 C ATOM 691 CG ASN B 123 -26.331 -1.873 -12.677 1.00 0.00 C ATOM 692 OD1 ASN B 123 -26.846 -2.970 -12.747 1.00 0.00 O ATOM 693 ND2 ASN B 123 -27.067 -0.799 -12.772 1.00 0.00 N ATOM 0 H ASN B 123 -22.783 -2.459 -10.392 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.059 -3.748 -11.762 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -24.606 -0.864 -11.855 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.332 -1.562 -13.439 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -28.075 -0.882 -12.905 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -26.634 0.123 -12.713 1.00 0.00 H new ATOM 700 N SER B 124 -23.400 -4.380 -13.624 1.00 0.00 N ATOM 701 CA SER B 124 -22.309 -4.943 -14.469 1.00 0.00 C ATOM 702 C SER B 124 -22.902 -5.542 -15.747 1.00 0.00 C ATOM 703 O SER B 124 -22.700 -6.701 -16.049 1.00 0.00 O ATOM 704 CB SER B 124 -21.577 -6.035 -13.690 1.00 0.00 C ATOM 705 OG SER B 124 -21.551 -5.691 -12.311 1.00 0.00 O ATOM 0 H SER B 124 -24.341 -4.696 -13.860 1.00 0.00 H new ATOM 0 HA SER B 124 -21.611 -4.149 -14.733 1.00 0.00 H new ATOM 0 HB2 SER B 124 -22.077 -6.994 -13.828 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.561 -6.148 -14.068 1.00 0.00 H new ATOM 0 HG SER B 124 -21.705 -6.494 -11.771 1.00 0.00 H new ATOM 744 N ASP B 128 -18.055 -3.807 -20.841 1.00 0.00 N ATOM 745 CA ASP B 128 -16.976 -4.441 -20.032 1.00 0.00 C ATOM 746 C ASP B 128 -16.714 -3.606 -18.776 1.00 0.00 C ATOM 747 O ASP B 128 -16.088 -4.059 -17.839 1.00 0.00 O ATOM 748 CB ASP B 128 -15.696 -4.520 -20.867 1.00 0.00 C ATOM 749 CG ASP B 128 -15.363 -5.983 -21.158 1.00 0.00 C ATOM 750 OD1 ASP B 128 -16.287 -6.775 -21.248 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.188 -6.288 -21.288 1.00 0.00 O ATOM 0 HA ASP B 128 -17.285 -5.444 -19.739 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -15.825 -3.973 -21.801 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -14.871 -4.048 -20.333 1.00 0.00 H new ATOM 756 N TRP B 129 -17.184 -2.388 -18.748 1.00 0.00 N ATOM 757 CA TRP B 129 -16.955 -1.533 -17.550 1.00 0.00 C ATOM 758 C TRP B 129 -18.173 -1.609 -16.627 1.00 0.00 C ATOM 759 O TRP B 129 -19.301 -1.505 -17.061 1.00 0.00 O ATOM 760 CB TRP B 129 -16.725 -0.087 -17.991 1.00 0.00 C ATOM 761 CG TRP B 129 -15.328 0.048 -18.508 1.00 0.00 C ATOM 762 CD1 TRP B 129 -14.880 -0.463 -19.678 1.00 0.00 C ATOM 763 CD2 TRP B 129 -14.190 0.721 -17.895 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.541 -0.149 -19.821 1.00 0.00 N ATOM 765 CE2 TRP B 129 -13.070 0.581 -18.748 1.00 0.00 C ATOM 766 CE3 TRP B 129 -14.023 1.433 -16.693 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.828 1.127 -18.421 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.775 1.983 -16.360 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.680 1.830 -17.222 1.00 0.00 C ATOM 0 H TRP B 129 -17.715 -1.950 -19.501 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.076 -1.887 -17.012 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.441 0.189 -18.765 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.884 0.592 -17.153 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.472 -1.025 -20.385 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -12.971 -0.423 -20.621 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.860 1.557 -16.022 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -10.988 1.007 -19.089 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.658 2.527 -15.434 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.722 2.255 -16.960 1.00 0.00 H new ATOM 780 N TRP B 130 -17.949 -1.801 -15.355 1.00 0.00 N ATOM 781 CA TRP B 130 -19.088 -1.898 -14.400 1.00 0.00 C ATOM 782 C TRP B 130 -19.162 -0.634 -13.542 1.00 0.00 C ATOM 783 O TRP B 130 -18.466 0.334 -13.775 1.00 0.00 O ATOM 784 CB TRP B 130 -18.876 -3.102 -13.482 1.00 0.00 C ATOM 785 CG TRP B 130 -18.732 -4.344 -14.301 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.005 -4.445 -15.622 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.285 -5.661 -13.871 1.00 0.00 C ATOM 788 NE1 TRP B 130 -18.756 -5.743 -16.031 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.309 -6.531 -14.987 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.867 -6.179 -12.633 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -17.930 -7.870 -14.876 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.485 -7.524 -12.517 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.516 -8.369 -13.637 1.00 0.00 C ATOM 0 H TRP B 130 -17.024 -1.895 -14.936 1.00 0.00 H new ATOM 0 HA TRP B 130 -20.014 -2.011 -14.964 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -17.986 -2.953 -12.871 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.719 -3.202 -12.798 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.359 -3.644 -16.254 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -18.886 -6.077 -16.986 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.840 -5.537 -11.765 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -17.956 -8.516 -15.741 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.165 -7.911 -11.561 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -17.220 -9.403 -13.542 1.00 0.00 H new ATOM 804 N GLU B 131 -19.998 -0.647 -12.539 1.00 0.00 N ATOM 805 CA GLU B 131 -20.121 0.537 -11.643 1.00 0.00 C ATOM 806 C GLU B 131 -19.768 0.106 -10.219 1.00 0.00 C ATOM 807 O GLU B 131 -20.461 -0.688 -9.614 1.00 0.00 O ATOM 808 CB GLU B 131 -21.559 1.069 -11.675 1.00 0.00 C ATOM 809 CG GLU B 131 -22.211 0.725 -13.018 1.00 0.00 C ATOM 810 CD GLU B 131 -23.614 1.331 -13.076 1.00 0.00 C ATOM 811 OE1 GLU B 131 -23.871 2.254 -12.320 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.407 0.865 -13.877 1.00 0.00 O ATOM 0 H GLU B 131 -20.604 -1.432 -12.301 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.446 1.325 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -22.135 0.634 -10.859 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.560 2.149 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -21.604 1.109 -13.838 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.265 -0.357 -13.141 1.00 0.00 H new ATOM 819 N ALA B 132 -18.689 0.605 -9.682 1.00 0.00 N ATOM 820 CA ALA B 132 -18.291 0.199 -8.305 1.00 0.00 C ATOM 821 C ALA B 132 -18.366 1.398 -7.357 1.00 0.00 C ATOM 822 O ALA B 132 -17.892 2.474 -7.661 1.00 0.00 O ATOM 823 CB ALA B 132 -16.859 -0.338 -8.331 1.00 0.00 C ATOM 0 H ALA B 132 -18.067 1.274 -10.136 1.00 0.00 H new ATOM 0 HA ALA B 132 -18.972 -0.575 -7.952 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -16.564 -0.636 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -16.806 -1.200 -8.995 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.185 0.440 -8.691 1.00 0.00 H new ATOM 829 N ARG B 133 -18.949 1.213 -6.204 1.00 0.00 N ATOM 830 CA ARG B 133 -19.046 2.331 -5.225 1.00 0.00 C ATOM 831 C ARG B 133 -17.909 2.200 -4.210 1.00 0.00 C ATOM 832 O ARG B 133 -17.627 1.126 -3.716 1.00 0.00 O ATOM 833 CB ARG B 133 -20.393 2.262 -4.501 1.00 0.00 C ATOM 834 CG ARG B 133 -20.373 3.191 -3.285 1.00 0.00 C ATOM 835 CD ARG B 133 -21.773 3.763 -3.055 1.00 0.00 C ATOM 836 NE ARG B 133 -22.102 3.706 -1.603 1.00 0.00 N ATOM 837 CZ ARG B 133 -23.283 4.078 -1.185 1.00 0.00 C ATOM 838 NH1 ARG B 133 -24.248 4.274 -2.042 1.00 0.00 N ATOM 839 NH2 ARG B 133 -23.497 4.255 0.090 1.00 0.00 N ATOM 0 H ARG B 133 -19.363 0.333 -5.898 1.00 0.00 H new ATOM 0 HA ARG B 133 -18.968 3.286 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -21.196 2.551 -5.179 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.595 1.238 -4.186 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -20.043 2.644 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -19.660 4.000 -3.444 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -21.819 4.793 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -22.507 3.196 -3.627 1.00 0.00 H new ATOM 0 HE ARG B 133 -21.405 3.377 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -24.081 4.137 -3.039 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -25.169 4.564 -1.715 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -22.743 4.103 0.760 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.419 4.545 0.417 1.00 0.00 H new ATOM 853 N SER B 134 -17.248 3.281 -3.900 1.00 0.00 N ATOM 854 CA SER B 134 -16.124 3.210 -2.923 1.00 0.00 C ATOM 855 C SER B 134 -16.674 3.279 -1.497 1.00 0.00 C ATOM 856 O SER B 134 -17.177 4.298 -1.064 1.00 0.00 O ATOM 857 CB SER B 134 -15.171 4.381 -3.158 1.00 0.00 C ATOM 858 OG SER B 134 -14.307 4.072 -4.243 1.00 0.00 O ATOM 0 H SER B 134 -17.437 4.209 -4.280 1.00 0.00 H new ATOM 0 HA SER B 134 -15.588 2.270 -3.058 1.00 0.00 H new ATOM 0 HB2 SER B 134 -15.736 5.287 -3.375 1.00 0.00 H new ATOM 0 HB3 SER B 134 -14.588 4.577 -2.258 1.00 0.00 H new ATOM 0 HG SER B 134 -14.370 3.116 -4.449 1.00 0.00 H new ATOM 864 N LEU B 135 -16.574 2.207 -0.761 1.00 0.00 N ATOM 865 CA LEU B 135 -17.084 2.216 0.639 1.00 0.00 C ATOM 866 C LEU B 135 -16.161 3.077 1.503 1.00 0.00 C ATOM 867 O LEU B 135 -16.576 3.660 2.485 1.00 0.00 O ATOM 868 CB LEU B 135 -17.111 0.788 1.183 1.00 0.00 C ATOM 869 CG LEU B 135 -18.041 -0.068 0.323 1.00 0.00 C ATOM 870 CD1 LEU B 135 -17.291 -1.309 -0.163 1.00 0.00 C ATOM 871 CD2 LEU B 135 -19.252 -0.499 1.152 1.00 0.00 C ATOM 0 H LEU B 135 -16.162 1.326 -1.068 1.00 0.00 H new ATOM 0 HA LEU B 135 -18.093 2.627 0.659 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -16.105 0.367 1.180 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -17.453 0.788 2.218 1.00 0.00 H new ATOM 0 HG LEU B 135 -18.376 0.514 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -17.955 -1.919 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -16.428 -1.004 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -16.954 -1.890 0.696 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.915 -1.109 0.538 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.917 -1.079 2.011 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -19.789 0.384 1.498 1.00 0.00 H new ATOM 883 N THR B 136 -14.910 3.165 1.138 1.00 0.00 N ATOM 884 CA THR B 136 -13.957 3.992 1.931 1.00 0.00 C ATOM 885 C THR B 136 -14.227 5.472 1.651 1.00 0.00 C ATOM 886 O THR B 136 -14.505 6.243 2.548 1.00 0.00 O ATOM 887 CB THR B 136 -12.523 3.651 1.520 1.00 0.00 C ATOM 888 OG1 THR B 136 -12.323 2.248 1.618 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.540 4.375 2.442 1.00 0.00 C ATOM 0 H THR B 136 -14.507 2.700 0.325 1.00 0.00 H new ATOM 0 HA THR B 136 -14.088 3.787 2.994 1.00 0.00 H new ATOM 0 HB THR B 136 -12.355 3.970 0.491 1.00 0.00 H new ATOM 0 HG1 THR B 136 -12.058 1.894 0.744 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.519 4.131 2.148 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.693 5.451 2.364 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.707 4.059 3.472 1.00 0.00 H new ATOM 897 N THR B 137 -14.152 5.870 0.411 1.00 0.00 N ATOM 898 CA THR B 137 -14.409 7.296 0.067 1.00 0.00 C ATOM 899 C THR B 137 -15.918 7.539 0.011 1.00 0.00 C ATOM 900 O THR B 137 -16.448 8.375 0.716 1.00 0.00 O ATOM 901 CB THR B 137 -13.789 7.611 -1.297 1.00 0.00 C ATOM 902 OG1 THR B 137 -13.616 6.404 -2.025 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.431 8.287 -1.097 1.00 0.00 C ATOM 0 H THR B 137 -13.923 5.268 -0.380 1.00 0.00 H new ATOM 0 HA THR B 137 -13.964 7.941 0.825 1.00 0.00 H new ATOM 0 HB THR B 137 -14.447 8.280 -1.851 1.00 0.00 H new ATOM 0 HG1 THR B 137 -13.738 6.578 -2.982 1.00 0.00 H new ATOM 0 HG21 THR B 137 -11.990 8.511 -2.068 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.564 9.212 -0.537 1.00 0.00 H new ATOM 0 HG23 THR B 137 -11.770 7.620 -0.544 1.00 0.00 H new ATOM 911 N GLY B 138 -16.618 6.811 -0.818 1.00 0.00 N ATOM 912 CA GLY B 138 -18.095 7.000 -0.911 1.00 0.00 C ATOM 913 C GLY B 138 -18.469 7.479 -2.314 1.00 0.00 C ATOM 914 O GLY B 138 -19.631 7.637 -2.636 1.00 0.00 O ATOM 0 H GLY B 138 -16.232 6.095 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.605 6.063 -0.689 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.425 7.727 -0.169 1.00 0.00 H new ATOM 918 N GLU B 139 -17.499 7.712 -3.154 1.00 0.00 N ATOM 919 CA GLU B 139 -17.807 8.183 -4.534 1.00 0.00 C ATOM 920 C GLU B 139 -18.098 6.979 -5.435 1.00 0.00 C ATOM 921 O GLU B 139 -17.299 6.072 -5.554 1.00 0.00 O ATOM 922 CB GLU B 139 -16.612 8.964 -5.088 1.00 0.00 C ATOM 923 CG GLU B 139 -15.492 7.994 -5.472 1.00 0.00 C ATOM 924 CD GLU B 139 -14.153 8.734 -5.469 1.00 0.00 C ATOM 925 OE1 GLU B 139 -14.089 9.803 -6.054 1.00 0.00 O ATOM 926 OE2 GLU B 139 -13.214 8.219 -4.885 1.00 0.00 O ATOM 0 H GLU B 139 -16.507 7.597 -2.945 1.00 0.00 H new ATOM 0 HA GLU B 139 -18.682 8.833 -4.508 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -16.917 9.544 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -16.252 9.673 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -15.461 7.161 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -15.684 7.572 -6.458 1.00 0.00 H new ATOM 933 N THR B 140 -19.236 6.966 -6.074 1.00 0.00 N ATOM 934 CA THR B 140 -19.576 5.823 -6.968 1.00 0.00 C ATOM 935 C THR B 140 -19.237 6.193 -8.413 1.00 0.00 C ATOM 936 O THR B 140 -19.529 7.280 -8.871 1.00 0.00 O ATOM 937 CB THR B 140 -21.072 5.514 -6.860 1.00 0.00 C ATOM 938 OG1 THR B 140 -21.475 5.598 -5.499 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.340 4.103 -7.388 1.00 0.00 C ATOM 0 H THR B 140 -19.945 7.697 -6.016 1.00 0.00 H new ATOM 0 HA THR B 140 -19.003 4.945 -6.670 1.00 0.00 H new ATOM 0 HB THR B 140 -21.637 6.235 -7.451 1.00 0.00 H new ATOM 0 HG1 THR B 140 -22.398 5.279 -5.411 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.405 3.882 -7.312 1.00 0.00 H new ATOM 0 HG22 THR B 140 -21.030 4.040 -8.431 1.00 0.00 H new ATOM 0 HG23 THR B 140 -20.776 3.381 -6.798 1.00 0.00 H new ATOM 947 N GLY B 141 -18.622 5.296 -9.136 1.00 0.00 N ATOM 948 CA GLY B 141 -18.264 5.600 -10.550 1.00 0.00 C ATOM 949 C GLY B 141 -18.156 4.298 -11.345 1.00 0.00 C ATOM 950 O GLY B 141 -18.768 3.302 -11.011 1.00 0.00 O ATOM 0 H GLY B 141 -18.353 4.368 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -19.019 6.248 -10.995 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.318 6.140 -10.588 1.00 0.00 H new ATOM 954 N TYR B 142 -17.383 4.296 -12.397 1.00 0.00 N ATOM 955 CA TYR B 142 -17.238 3.059 -13.215 1.00 0.00 C ATOM 956 C TYR B 142 -15.783 2.589 -13.182 1.00 0.00 C ATOM 957 O TYR B 142 -14.864 3.384 -13.163 1.00 0.00 O ATOM 958 CB TYR B 142 -17.627 3.354 -14.666 1.00 0.00 C ATOM 959 CG TYR B 142 -19.044 3.867 -14.728 1.00 0.00 C ATOM 960 CD1 TYR B 142 -20.109 3.026 -14.388 1.00 0.00 C ATOM 961 CD2 TYR B 142 -19.295 5.183 -15.134 1.00 0.00 C ATOM 962 CE1 TYR B 142 -21.424 3.501 -14.453 1.00 0.00 C ATOM 963 CE2 TYR B 142 -20.609 5.658 -15.201 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.675 4.818 -14.860 1.00 0.00 C ATOM 965 OH TYR B 142 -22.972 5.284 -14.927 1.00 0.00 O ATOM 0 H TYR B 142 -16.845 5.098 -12.725 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.887 2.285 -12.807 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -16.946 4.092 -15.091 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.533 2.450 -15.267 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -19.917 2.010 -14.075 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -18.473 5.833 -15.396 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -22.246 2.852 -14.189 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -20.801 6.673 -15.516 1.00 0.00 H new ATOM 0 HH TYR B 142 -22.969 6.217 -15.226 1.00 0.00 H new ATOM 975 N ILE B 143 -15.564 1.302 -13.195 1.00 0.00 N ATOM 976 CA ILE B 143 -14.166 0.788 -13.186 1.00 0.00 C ATOM 977 C ILE B 143 -14.066 -0.429 -14.107 1.00 0.00 C ATOM 978 O ILE B 143 -15.059 -1.053 -14.421 1.00 0.00 O ATOM 979 CB ILE B 143 -13.750 0.374 -11.772 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.460 -0.929 -11.383 1.00 0.00 C ATOM 981 CG2 ILE B 143 -14.120 1.478 -10.778 1.00 0.00 C ATOM 982 CD1 ILE B 143 -15.975 -0.724 -11.407 1.00 0.00 C ATOM 0 H ILE B 143 -16.291 0.587 -13.211 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.504 1.581 -13.533 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.672 0.217 -11.749 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -14.181 -1.725 -12.073 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -14.143 -1.243 -10.389 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.822 1.178 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -13.605 2.400 -11.049 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -15.197 1.644 -10.802 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -16.472 -1.653 -11.130 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -16.248 0.059 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -16.287 -0.431 -12.410 1.00 0.00 H new ATOM 994 N PRO B 144 -12.858 -0.733 -14.499 1.00 0.00 N ATOM 995 CA PRO B 144 -12.583 -1.882 -15.376 1.00 0.00 C ATOM 996 C PRO B 144 -13.053 -3.170 -14.695 1.00 0.00 C ATOM 997 O PRO B 144 -12.604 -3.515 -13.619 1.00 0.00 O ATOM 998 CB PRO B 144 -11.058 -1.885 -15.545 1.00 0.00 C ATOM 999 CG PRO B 144 -10.492 -0.698 -14.718 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.672 0.045 -14.101 1.00 0.00 C ATOM 0 HA PRO B 144 -13.098 -1.818 -16.335 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.636 -2.829 -15.199 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.789 -1.782 -16.596 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.820 -1.061 -13.940 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -9.912 -0.031 -15.355 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.581 0.100 -13.016 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.730 1.070 -14.468 1.00 0.00 H new ATOM 1008 N SER B 145 -13.958 -3.882 -15.306 1.00 0.00 N ATOM 1009 CA SER B 145 -14.455 -5.138 -14.689 1.00 0.00 C ATOM 1010 C SER B 145 -13.283 -6.092 -14.456 1.00 0.00 C ATOM 1011 O SER B 145 -13.271 -6.860 -13.514 1.00 0.00 O ATOM 1012 CB SER B 145 -15.470 -5.789 -15.626 1.00 0.00 C ATOM 1013 OG SER B 145 -14.797 -6.300 -16.768 1.00 0.00 O ATOM 0 H SER B 145 -14.374 -3.646 -16.207 1.00 0.00 H new ATOM 0 HA SER B 145 -14.931 -4.915 -13.734 1.00 0.00 H new ATOM 0 HB2 SER B 145 -15.995 -6.593 -15.110 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.222 -5.060 -15.929 1.00 0.00 H new ATOM 0 HG SER B 145 -14.989 -5.731 -17.543 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.293 -6.048 -15.305 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.121 -6.951 -15.130 1.00 0.00 C ATOM 1021 C ASN B 146 -10.270 -6.456 -13.959 1.00 0.00 C ATOM 1022 O ASN B 146 -9.571 -7.216 -13.320 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.281 -6.949 -16.409 1.00 0.00 C ATOM 1024 CG ASN B 146 -8.939 -7.633 -16.138 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -8.849 -8.513 -15.306 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -7.885 -7.260 -16.810 1.00 0.00 N ATOM 0 H ASN B 146 -12.245 -5.426 -16.112 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.468 -7.964 -14.926 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -10.812 -7.469 -17.207 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -10.118 -5.926 -16.748 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -6.985 -7.708 -16.637 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -7.961 -6.521 -17.509 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.325 -5.184 -13.675 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.522 -4.633 -12.548 1.00 0.00 C ATOM 1035 C TYR B 147 -10.245 -4.896 -11.225 1.00 0.00 C ATOM 1036 O TYR B 147 -9.821 -4.446 -10.178 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.351 -3.125 -12.742 1.00 0.00 C ATOM 1038 CG TYR B 147 -8.113 -2.849 -13.565 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.602 -3.830 -14.423 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.476 -1.604 -13.468 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.455 -3.569 -15.184 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.330 -1.344 -14.229 1.00 0.00 C ATOM 1043 CZ TYR B 147 -5.820 -2.325 -15.086 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.690 -2.065 -15.835 1.00 0.00 O ATOM 0 H TYR B 147 -10.893 -4.501 -14.176 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.545 -5.115 -12.527 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.228 -2.712 -13.239 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.272 -2.632 -11.773 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.093 -4.789 -14.498 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -7.869 -0.846 -12.807 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -6.061 -4.326 -15.845 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.839 -0.385 -14.154 1.00 0.00 H new ATOM 0 HH TYR B 147 -3.923 -2.532 -15.442 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.332 -5.619 -11.260 1.00 0.00 N ATOM 1055 CA VAL B 148 -12.074 -5.906 -9.998 1.00 0.00 C ATOM 1056 C VAL B 148 -12.515 -7.371 -9.988 1.00 0.00 C ATOM 1057 O VAL B 148 -12.746 -7.968 -11.021 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.307 -5.005 -9.910 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -12.867 -3.551 -9.732 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.124 -5.134 -11.196 1.00 0.00 C ATOM 0 H VAL B 148 -11.737 -6.022 -12.105 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.423 -5.714 -9.145 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.916 -5.307 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -13.746 -2.910 -9.669 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.283 -3.457 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.257 -3.249 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -15.003 -4.492 -11.135 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.513 -4.832 -12.047 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.439 -6.170 -11.325 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.634 -7.956 -8.827 1.00 0.00 N ATOM 1071 CA ALA B 149 -13.061 -9.382 -8.755 1.00 0.00 C ATOM 1072 C ALA B 149 -13.815 -9.625 -7.443 1.00 0.00 C ATOM 1073 O ALA B 149 -13.526 -9.004 -6.440 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.829 -10.286 -8.808 1.00 0.00 C ATOM 0 H ALA B 149 -12.454 -7.509 -7.928 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.715 -9.608 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -12.141 -11.329 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -11.292 -10.114 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -11.175 -10.060 -7.966 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.765 -10.527 -7.493 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.579 -10.876 -6.314 1.00 0.00 C ATOM 1082 C PRO B 150 -14.687 -11.428 -5.199 1.00 0.00 C ATOM 1083 O PRO B 150 -13.716 -12.114 -5.449 1.00 0.00 O ATOM 1084 CB PRO B 150 -16.553 -11.951 -6.814 1.00 0.00 C ATOM 1085 CG PRO B 150 -16.259 -12.193 -8.316 1.00 0.00 C ATOM 1086 CD PRO B 150 -15.100 -11.269 -8.721 1.00 0.00 C ATOM 0 HA PRO B 150 -16.102 -10.014 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -16.428 -12.873 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -17.584 -11.627 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.995 -13.236 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -17.143 -11.983 -8.917 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -14.246 -11.841 -9.083 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -15.395 -10.593 -9.524 1.00 0.00 H new ATOM 1094 N VAL B 151 -15.010 -11.133 -3.969 1.00 0.00 N ATOM 1095 CA VAL B 151 -14.181 -11.640 -2.839 1.00 0.00 C ATOM 1096 C VAL B 151 -14.370 -13.154 -2.708 1.00 0.00 C ATOM 1097 O VAL B 151 -14.124 -13.670 -1.630 1.00 0.00 O ATOM 1098 CB VAL B 151 -14.618 -10.958 -1.542 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -13.648 -11.328 -0.419 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -14.613 -9.439 -1.737 1.00 0.00 C ATOM 0 H VAL B 151 -15.812 -10.563 -3.698 1.00 0.00 H new ATOM 0 HA VAL B 151 -13.131 -11.420 -3.030 1.00 0.00 H new ATOM 0 HB VAL B 151 -15.623 -11.289 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -13.959 -10.842 0.506 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -13.649 -12.409 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -12.643 -10.997 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -14.924 -8.952 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -13.608 -9.109 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -15.303 -9.173 -2.538 1.00 0.00 H new