USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 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 179:sc= 0.676 USER MOD Single : B 107 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS :FLIP no HE2:sc= -1.01 F(o=-2.7,f=-1) USER MOD Single : B 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 123 ASN :FLIP amide:sc= 0.552 F(o=0,f=0.55) USER MOD Single : B 124 SER OG : rot 180:sc= 0 USER MOD Single : B 134 SER OG : rot 180:sc= 0 USER MOD Single : B 136 THR OG1 : rot 180:sc= 0 USER MOD Single : B 137 THR OG1 : rot 180:sc= -2.56! USER MOD Single : B 140 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot 179:sc= 0 USER MOD Single : B 146 ASN :FLIP amide:sc= -1.01 F(o=-2.2!,f=-1) USER MOD Single : B 147 TYR OH : rot 180:sc= -0.095 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -11.562 -2.405 -22.019 1.00 0.00 N ATOM 70 CA LEU A 95 -10.853 -2.337 -20.707 1.00 0.00 C ATOM 71 C LEU A 95 -9.356 -2.117 -20.950 1.00 0.00 C ATOM 72 O LEU A 95 -8.852 -2.421 -22.014 1.00 0.00 O ATOM 73 CB LEU A 95 -11.055 -3.651 -19.950 1.00 0.00 C ATOM 74 CG LEU A 95 -10.763 -4.828 -20.881 1.00 0.00 C ATOM 75 CD1 LEU A 95 -9.256 -5.087 -20.919 1.00 0.00 C ATOM 76 CD2 LEU A 95 -11.481 -6.076 -20.364 1.00 0.00 C ATOM 0 HA LEU A 95 -11.254 -1.512 -20.119 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.396 -3.688 -19.083 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.077 -3.714 -19.577 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.117 -4.594 -21.885 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.048 -5.926 -21.583 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.743 -4.198 -21.286 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.902 -5.322 -19.915 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.274 -6.916 -21.027 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.127 -6.310 -19.360 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -12.555 -5.892 -20.336 1.00 0.00 H new ATOM 88 N PRO A 96 -8.687 -1.597 -19.952 1.00 0.00 N ATOM 89 CA PRO A 96 -7.241 -1.328 -20.029 1.00 0.00 C ATOM 90 C PRO A 96 -6.473 -2.628 -20.277 1.00 0.00 C ATOM 91 O PRO A 96 -7.002 -3.583 -20.810 1.00 0.00 O ATOM 92 CB PRO A 96 -6.876 -0.743 -18.657 1.00 0.00 C ATOM 93 CG PRO A 96 -8.171 -0.694 -17.806 1.00 0.00 C ATOM 94 CD PRO A 96 -9.320 -1.236 -18.670 1.00 0.00 C ATOM 0 HA PRO A 96 -6.989 -0.650 -20.845 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.120 -1.357 -18.168 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.453 0.255 -18.767 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.057 -1.293 -16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.381 0.327 -17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.792 -2.101 -18.204 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.098 -0.486 -18.810 1.00 0.00 H new ATOM 238 N LEU B 86 -19.198 -7.645 -3.486 1.00 0.00 N ATOM 239 CA LEU B 86 -17.913 -7.023 -3.063 1.00 0.00 C ATOM 240 C LEU B 86 -16.797 -7.444 -4.025 1.00 0.00 C ATOM 241 O LEU B 86 -16.526 -8.616 -4.200 1.00 0.00 O ATOM 242 CB LEU B 86 -17.567 -7.486 -1.647 1.00 0.00 C ATOM 243 CG LEU B 86 -18.276 -6.592 -0.629 1.00 0.00 C ATOM 244 CD1 LEU B 86 -18.102 -7.177 0.773 1.00 0.00 C ATOM 245 CD2 LEU B 86 -17.668 -5.188 -0.671 1.00 0.00 C ATOM 0 HA LEU B 86 -18.013 -5.938 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -17.870 -8.524 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.489 -7.446 -1.493 1.00 0.00 H new ATOM 0 HG LEU B 86 -19.337 -6.538 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -18.607 -6.540 1.499 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -18.534 -8.177 0.806 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -17.041 -7.232 1.015 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -18.173 -4.551 0.055 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -16.607 -5.244 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -17.790 -4.768 -1.670 1.00 0.00 H new ATOM 257 N PHE B 87 -16.149 -6.498 -4.647 1.00 0.00 N ATOM 258 CA PHE B 87 -15.052 -6.844 -5.596 1.00 0.00 C ATOM 259 C PHE B 87 -13.818 -5.993 -5.282 1.00 0.00 C ATOM 260 O PHE B 87 -13.892 -4.784 -5.196 1.00 0.00 O ATOM 261 CB PHE B 87 -15.506 -6.559 -7.029 1.00 0.00 C ATOM 262 CG PHE B 87 -16.696 -7.423 -7.367 1.00 0.00 C ATOM 263 CD1 PHE B 87 -17.968 -7.082 -6.893 1.00 0.00 C ATOM 264 CD2 PHE B 87 -16.527 -8.565 -8.159 1.00 0.00 C ATOM 265 CE1 PHE B 87 -19.072 -7.883 -7.210 1.00 0.00 C ATOM 266 CE2 PHE B 87 -17.630 -9.366 -8.477 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.902 -9.025 -8.002 1.00 0.00 C ATOM 0 H PHE B 87 -16.331 -5.500 -4.540 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.806 -7.901 -5.493 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -15.767 -5.506 -7.135 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.691 -6.757 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -18.098 -6.201 -6.282 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.545 -8.828 -8.525 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -20.054 -7.620 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.500 -10.247 -9.088 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.753 -9.643 -8.247 1.00 0.00 H new ATOM 277 N VAL B 88 -12.682 -6.615 -5.115 1.00 0.00 N ATOM 278 CA VAL B 88 -11.447 -5.838 -4.814 1.00 0.00 C ATOM 279 C VAL B 88 -10.748 -5.469 -6.124 1.00 0.00 C ATOM 280 O VAL B 88 -10.889 -6.147 -7.122 1.00 0.00 O ATOM 281 CB VAL B 88 -10.506 -6.687 -3.958 1.00 0.00 C ATOM 282 CG1 VAL B 88 -9.588 -5.771 -3.144 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.332 -7.556 -3.008 1.00 0.00 C ATOM 0 H VAL B 88 -12.557 -7.626 -5.174 1.00 0.00 H new ATOM 0 HA VAL B 88 -11.711 -4.930 -4.272 1.00 0.00 H new ATOM 0 HB VAL B 88 -9.901 -7.324 -4.603 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -8.918 -6.377 -2.534 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.001 -5.150 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.191 -5.134 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -10.664 -8.163 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -11.935 -6.918 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -11.986 -8.208 -3.587 1.00 0.00 H new ATOM 293 N ALA B 89 -9.995 -4.403 -6.130 1.00 0.00 N ATOM 294 CA ALA B 89 -9.289 -3.998 -7.379 1.00 0.00 C ATOM 295 C ALA B 89 -7.983 -4.786 -7.497 1.00 0.00 C ATOM 296 O ALA B 89 -7.032 -4.542 -6.782 1.00 0.00 O ATOM 297 CB ALA B 89 -8.987 -2.497 -7.335 1.00 0.00 C ATOM 0 H ALA B 89 -9.838 -3.796 -5.326 1.00 0.00 H new ATOM 0 HA ALA B 89 -9.920 -4.209 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.471 -2.203 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -9.920 -1.940 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.355 -2.278 -6.475 1.00 0.00 H new ATOM 303 N LEU B 100 -7.935 -5.737 -8.390 1.00 0.00 N ATOM 304 CA LEU B 100 -6.696 -6.549 -8.551 1.00 0.00 C ATOM 305 C LEU B 100 -5.565 -5.671 -9.088 1.00 0.00 C ATOM 306 O LEU B 100 -4.415 -6.063 -9.096 1.00 0.00 O ATOM 307 CB LEU B 100 -6.956 -7.690 -9.535 1.00 0.00 C ATOM 308 CG LEU B 100 -8.209 -8.455 -9.112 1.00 0.00 C ATOM 309 CD1 LEU B 100 -8.863 -9.083 -10.344 1.00 0.00 C ATOM 310 CD2 LEU B 100 -7.820 -9.557 -8.123 1.00 0.00 C ATOM 0 H LEU B 100 -8.701 -5.987 -9.015 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.410 -6.957 -7.582 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.082 -7.293 -10.542 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.099 -8.363 -9.562 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.912 -7.770 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -9.757 -9.629 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.137 -8.299 -11.050 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.161 -9.769 -10.818 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -8.712 -10.105 -7.819 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.118 -10.242 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.352 -9.110 -7.246 1.00 0.00 H new ATOM 322 N TYR B 101 -5.875 -4.490 -9.544 1.00 0.00 N ATOM 323 CA TYR B 101 -4.807 -3.603 -10.084 1.00 0.00 C ATOM 324 C TYR B 101 -5.188 -2.139 -9.867 1.00 0.00 C ATOM 325 O TYR B 101 -6.345 -1.771 -9.921 1.00 0.00 O ATOM 326 CB TYR B 101 -4.636 -3.869 -11.581 1.00 0.00 C ATOM 327 CG TYR B 101 -4.506 -5.355 -11.819 1.00 0.00 C ATOM 328 CD1 TYR B 101 -3.311 -6.012 -11.504 1.00 0.00 C ATOM 329 CD2 TYR B 101 -5.581 -6.076 -12.355 1.00 0.00 C ATOM 330 CE1 TYR B 101 -3.190 -7.389 -11.726 1.00 0.00 C ATOM 331 CE2 TYR B 101 -5.459 -7.454 -12.576 1.00 0.00 C ATOM 332 CZ TYR B 101 -4.263 -8.109 -12.261 1.00 0.00 C ATOM 333 OH TYR B 101 -4.143 -9.467 -12.480 1.00 0.00 O ATOM 0 H TYR B 101 -6.818 -4.101 -9.566 1.00 0.00 H new ATOM 0 HA TYR B 101 -3.871 -3.810 -9.565 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.491 -3.476 -12.131 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -3.752 -3.352 -11.954 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -2.482 -5.457 -11.090 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -6.504 -5.570 -12.598 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -2.267 -7.896 -11.484 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -6.287 -8.010 -12.989 1.00 0.00 H new ATOM 0 HH TYR B 101 -4.980 -9.813 -12.854 1.00 0.00 H new ATOM 343 N ASP B 102 -4.218 -1.299 -9.626 1.00 0.00 N ATOM 344 CA ASP B 102 -4.517 0.144 -9.411 1.00 0.00 C ATOM 345 C ASP B 102 -4.970 0.766 -10.733 1.00 0.00 C ATOM 346 O ASP B 102 -4.579 0.332 -11.798 1.00 0.00 O ATOM 347 CB ASP B 102 -3.256 0.856 -8.914 1.00 0.00 C ATOM 348 CG ASP B 102 -2.104 0.602 -9.890 1.00 0.00 C ATOM 349 OD1 ASP B 102 -1.511 -0.461 -9.812 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.835 1.476 -10.697 1.00 0.00 O ATOM 0 H ASP B 102 -3.231 -1.551 -9.569 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.308 0.250 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -3.442 1.926 -8.825 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -2.990 0.495 -7.920 1.00 0.00 H new ATOM 355 N TYR B 103 -5.791 1.777 -10.674 1.00 0.00 N ATOM 356 CA TYR B 103 -6.264 2.422 -11.931 1.00 0.00 C ATOM 357 C TYR B 103 -6.304 3.939 -11.745 1.00 0.00 C ATOM 358 O TYR B 103 -6.860 4.444 -10.789 1.00 0.00 O ATOM 359 CB TYR B 103 -7.667 1.916 -12.270 1.00 0.00 C ATOM 360 CG TYR B 103 -8.203 2.685 -13.453 1.00 0.00 C ATOM 361 CD1 TYR B 103 -7.330 3.137 -14.450 1.00 0.00 C ATOM 362 CD2 TYR B 103 -9.574 2.949 -13.552 1.00 0.00 C ATOM 363 CE1 TYR B 103 -7.827 3.851 -15.546 1.00 0.00 C ATOM 364 CE2 TYR B 103 -10.072 3.663 -14.648 1.00 0.00 C ATOM 365 CZ TYR B 103 -9.199 4.116 -15.645 1.00 0.00 C ATOM 366 OH TYR B 103 -9.690 4.820 -16.725 1.00 0.00 O ATOM 0 H TYR B 103 -6.154 2.184 -9.812 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.581 2.173 -12.743 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.636 0.851 -12.498 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.328 2.040 -11.412 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -6.272 2.934 -14.373 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -10.248 2.602 -12.783 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -7.153 4.198 -16.315 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -11.130 3.865 -14.725 1.00 0.00 H new ATOM 0 HH TYR B 103 -10.664 4.901 -16.647 1.00 0.00 H new ATOM 376 N GLU B 104 -5.719 4.670 -12.653 1.00 0.00 N ATOM 377 CA GLU B 104 -5.723 6.154 -12.532 1.00 0.00 C ATOM 378 C GLU B 104 -6.810 6.730 -13.443 1.00 0.00 C ATOM 379 O GLU B 104 -6.610 6.910 -14.627 1.00 0.00 O ATOM 380 CB GLU B 104 -4.357 6.701 -12.949 1.00 0.00 C ATOM 381 CG GLU B 104 -3.348 6.455 -11.824 1.00 0.00 C ATOM 382 CD GLU B 104 -1.955 6.891 -12.283 1.00 0.00 C ATOM 383 OE1 GLU B 104 -1.763 8.079 -12.485 1.00 0.00 O ATOM 384 OE2 GLU B 104 -1.103 6.028 -12.424 1.00 0.00 O ATOM 0 H GLU B 104 -5.238 4.303 -13.474 1.00 0.00 H new ATOM 0 HA GLU B 104 -5.925 6.440 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.022 6.215 -13.866 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.429 7.768 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -3.639 7.010 -10.932 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.339 5.399 -11.553 1.00 0.00 H new ATOM 391 N ALA B 105 -7.961 7.012 -12.898 1.00 0.00 N ATOM 392 CA ALA B 105 -9.067 7.564 -13.726 1.00 0.00 C ATOM 393 C ALA B 105 -8.674 8.937 -14.274 1.00 0.00 C ATOM 394 O ALA B 105 -8.426 9.867 -13.531 1.00 0.00 O ATOM 395 CB ALA B 105 -10.326 7.704 -12.869 1.00 0.00 C ATOM 0 H ALA B 105 -8.183 6.883 -11.911 1.00 0.00 H new ATOM 0 HA ALA B 105 -9.261 6.887 -14.558 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.136 8.108 -13.476 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -10.615 6.726 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.126 8.378 -12.036 1.00 0.00 H new ATOM 401 N ARG B 106 -8.628 9.075 -15.570 1.00 0.00 N ATOM 402 CA ARG B 106 -8.264 10.389 -16.169 1.00 0.00 C ATOM 403 C ARG B 106 -9.545 11.168 -16.479 1.00 0.00 C ATOM 404 O ARG B 106 -9.543 12.101 -17.258 1.00 0.00 O ATOM 405 CB ARG B 106 -7.478 10.164 -17.462 1.00 0.00 C ATOM 406 CG ARG B 106 -6.134 9.510 -17.136 1.00 0.00 C ATOM 407 CD ARG B 106 -5.196 9.639 -18.339 1.00 0.00 C ATOM 408 NE ARG B 106 -5.923 9.245 -19.579 1.00 0.00 N ATOM 409 CZ ARG B 106 -5.270 9.101 -20.702 1.00 0.00 C ATOM 410 NH1 ARG B 106 -4.020 9.469 -20.785 1.00 0.00 N ATOM 411 NH2 ARG B 106 -5.868 8.589 -21.742 1.00 0.00 N ATOM 0 H ARG B 106 -8.827 8.333 -16.241 1.00 0.00 H new ATOM 0 HA ARG B 106 -7.649 10.954 -15.469 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.048 9.529 -18.141 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.318 11.114 -17.973 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -5.689 9.986 -16.262 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -6.280 8.459 -16.887 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -4.837 10.664 -18.425 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -4.320 9.005 -18.201 1.00 0.00 H new ATOM 0 HE ARG B 106 -6.930 9.088 -19.551 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -3.551 9.870 -19.972 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -3.512 9.356 -21.662 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -6.845 8.301 -21.679 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -5.359 8.476 -22.619 1.00 0.00 H new ATOM 425 N THR B 107 -10.639 10.788 -15.875 1.00 0.00 N ATOM 426 CA THR B 107 -11.923 11.500 -16.131 1.00 0.00 C ATOM 427 C THR B 107 -12.685 11.665 -14.814 1.00 0.00 C ATOM 428 O THR B 107 -12.190 11.336 -13.754 1.00 0.00 O ATOM 429 CB THR B 107 -12.772 10.685 -17.110 1.00 0.00 C ATOM 430 OG1 THR B 107 -12.438 9.309 -16.988 1.00 0.00 O ATOM 431 CG2 THR B 107 -12.502 11.152 -18.541 1.00 0.00 C ATOM 0 H THR B 107 -10.698 10.013 -15.214 1.00 0.00 H new ATOM 0 HA THR B 107 -11.715 12.481 -16.558 1.00 0.00 H new ATOM 0 HB THR B 107 -13.828 10.828 -16.880 1.00 0.00 H new ATOM 0 HG1 THR B 107 -12.981 8.784 -17.612 1.00 0.00 H new ATOM 0 HG21 THR B 107 -13.108 10.569 -19.234 1.00 0.00 H new ATOM 0 HG22 THR B 107 -12.758 12.207 -18.634 1.00 0.00 H new ATOM 0 HG23 THR B 107 -11.447 11.013 -18.776 1.00 0.00 H new ATOM 439 N GLU B 108 -13.885 12.173 -14.872 1.00 0.00 N ATOM 440 CA GLU B 108 -14.676 12.359 -13.623 1.00 0.00 C ATOM 441 C GLU B 108 -15.564 11.137 -13.388 1.00 0.00 C ATOM 442 O GLU B 108 -15.789 10.727 -12.266 1.00 0.00 O ATOM 443 CB GLU B 108 -15.553 13.605 -13.757 1.00 0.00 C ATOM 444 CG GLU B 108 -14.746 14.840 -13.356 1.00 0.00 C ATOM 445 CD GLU B 108 -14.830 15.034 -11.840 1.00 0.00 C ATOM 446 OE1 GLU B 108 -15.930 14.975 -11.315 1.00 0.00 O ATOM 447 OE2 GLU B 108 -13.793 15.238 -11.232 1.00 0.00 O ATOM 0 H GLU B 108 -14.352 12.467 -15.730 1.00 0.00 H new ATOM 0 HA GLU B 108 -13.995 12.479 -12.780 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -15.907 13.706 -14.783 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -16.435 13.512 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -13.706 14.723 -13.661 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -15.131 15.722 -13.868 1.00 0.00 H new ATOM 454 N ASP B 109 -16.076 10.555 -14.436 1.00 0.00 N ATOM 455 CA ASP B 109 -16.954 9.363 -14.271 1.00 0.00 C ATOM 456 C ASP B 109 -16.131 8.187 -13.741 1.00 0.00 C ATOM 457 O ASP B 109 -16.437 7.620 -12.711 1.00 0.00 O ATOM 458 CB ASP B 109 -17.566 8.991 -15.623 1.00 0.00 C ATOM 459 CG ASP B 109 -18.963 9.603 -15.734 1.00 0.00 C ATOM 460 OD1 ASP B 109 -19.049 10.798 -15.963 1.00 0.00 O ATOM 461 OD2 ASP B 109 -19.924 8.866 -15.588 1.00 0.00 O ATOM 0 H ASP B 109 -15.925 10.853 -15.400 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.749 9.594 -13.562 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -16.933 9.353 -16.433 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.623 7.907 -15.723 1.00 0.00 H new ATOM 466 N ASP B 110 -15.089 7.817 -14.433 1.00 0.00 N ATOM 467 CA ASP B 110 -14.251 6.677 -13.962 1.00 0.00 C ATOM 468 C ASP B 110 -13.756 6.968 -12.542 1.00 0.00 C ATOM 469 O ASP B 110 -13.914 8.060 -12.034 1.00 0.00 O ATOM 470 CB ASP B 110 -13.054 6.502 -14.897 1.00 0.00 C ATOM 471 CG ASP B 110 -13.444 5.580 -16.055 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.607 5.221 -16.135 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.572 5.250 -16.843 1.00 0.00 O ATOM 0 H ASP B 110 -14.782 8.253 -15.302 1.00 0.00 H new ATOM 0 HA ASP B 110 -14.844 5.762 -13.962 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.734 7.471 -15.281 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.210 6.081 -14.351 1.00 0.00 H new ATOM 478 N LEU B 111 -13.165 6.001 -11.894 1.00 0.00 N ATOM 479 CA LEU B 111 -12.669 6.232 -10.506 1.00 0.00 C ATOM 480 C LEU B 111 -11.164 5.964 -10.435 1.00 0.00 C ATOM 481 O LEU B 111 -10.588 5.351 -11.312 1.00 0.00 O ATOM 482 CB LEU B 111 -13.396 5.291 -9.544 1.00 0.00 C ATOM 483 CG LEU B 111 -14.905 5.416 -9.753 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.510 4.030 -9.987 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.536 6.045 -8.509 1.00 0.00 C ATOM 0 H LEU B 111 -13.004 5.064 -12.264 1.00 0.00 H new ATOM 0 HA LEU B 111 -12.862 7.268 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.078 4.262 -9.715 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.139 5.537 -8.514 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.101 6.044 -10.622 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.586 4.123 -10.136 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.059 3.581 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.317 3.398 -9.120 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.613 6.136 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.338 5.414 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.107 7.033 -8.344 1.00 0.00 H new ATOM 497 N SER B 112 -10.528 6.416 -9.389 1.00 0.00 N ATOM 498 CA SER B 112 -9.061 6.188 -9.244 1.00 0.00 C ATOM 499 C SER B 112 -8.799 5.447 -7.932 1.00 0.00 C ATOM 500 O SER B 112 -9.318 5.807 -6.893 1.00 0.00 O ATOM 501 CB SER B 112 -8.334 7.533 -9.224 1.00 0.00 C ATOM 502 OG SER B 112 -9.291 8.584 -9.232 1.00 0.00 O ATOM 0 H SER B 112 -10.962 6.935 -8.626 1.00 0.00 H new ATOM 0 HA SER B 112 -8.696 5.594 -10.082 1.00 0.00 H new ATOM 0 HB2 SER B 112 -7.704 7.606 -8.337 1.00 0.00 H new ATOM 0 HB3 SER B 112 -7.677 7.617 -10.090 1.00 0.00 H new ATOM 0 HG SER B 112 -8.828 9.448 -9.217 1.00 0.00 H new ATOM 508 N PHE B 113 -8.005 4.411 -7.964 1.00 0.00 N ATOM 509 CA PHE B 113 -7.726 3.654 -6.711 1.00 0.00 C ATOM 510 C PHE B 113 -6.438 2.843 -6.868 1.00 0.00 C ATOM 511 O PHE B 113 -5.749 2.935 -7.864 1.00 0.00 O ATOM 512 CB PHE B 113 -8.891 2.705 -6.427 1.00 0.00 C ATOM 513 CG PHE B 113 -9.228 1.933 -7.681 1.00 0.00 C ATOM 514 CD1 PHE B 113 -10.075 2.499 -8.641 1.00 0.00 C ATOM 515 CD2 PHE B 113 -8.697 0.653 -7.882 1.00 0.00 C ATOM 516 CE1 PHE B 113 -10.391 1.785 -9.803 1.00 0.00 C ATOM 517 CE2 PHE B 113 -9.014 -0.061 -9.046 1.00 0.00 C ATOM 518 CZ PHE B 113 -9.862 0.505 -10.006 1.00 0.00 C ATOM 0 H PHE B 113 -7.539 4.058 -8.800 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.609 4.355 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.626 2.017 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -9.760 3.270 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -10.485 3.486 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -8.044 0.216 -7.141 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -11.044 2.222 -10.544 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -8.604 -1.048 -9.202 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.108 -0.046 -10.902 1.00 0.00 H new ATOM 528 N HIS B 114 -6.112 2.045 -5.886 1.00 0.00 N ATOM 529 CA HIS B 114 -4.871 1.222 -5.970 1.00 0.00 C ATOM 530 C HIS B 114 -5.213 -0.241 -5.677 1.00 0.00 C ATOM 531 O HIS B 114 -6.122 -0.538 -4.925 1.00 0.00 O ATOM 532 CB HIS B 114 -3.855 1.725 -4.941 1.00 0.00 C ATOM 533 CG HIS B 114 -2.463 1.555 -5.485 1.00 0.00 C ATOM 534 ND1 HIS B 114 -1.806 2.161 -6.526 1.00 0.00 N flip ATOM 535 CD2 HIS B 114 -1.559 0.657 -4.938 1.00 0.00 C flip ATOM 536 CE1 HIS B 114 -0.515 1.650 -6.627 1.00 0.00 C flip ATOM 537 NE2 HIS B 114 -0.419 0.748 -5.647 1.00 0.00 N flip ATOM 0 H HIS B 114 -6.652 1.928 -5.029 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.445 1.304 -6.970 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.042 2.774 -4.713 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -3.962 1.172 -4.008 1.00 0.00 H new ATOM 0 HD1 HIS B 114 -2.203 2.877 -7.134 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -1.737 0.004 -4.097 1.00 0.00 H new ATOM 0 HE1 HIS B 114 0.245 1.924 -7.344 1.00 0.00 H new ATOM 545 N LYS B 115 -4.494 -1.159 -6.263 1.00 0.00 N ATOM 546 CA LYS B 115 -4.783 -2.601 -6.017 1.00 0.00 C ATOM 547 C LYS B 115 -4.980 -2.833 -4.518 1.00 0.00 C ATOM 548 O LYS B 115 -4.202 -2.381 -3.701 1.00 0.00 O ATOM 549 CB LYS B 115 -3.613 -3.449 -6.519 1.00 0.00 C ATOM 550 CG LYS B 115 -2.337 -3.056 -5.771 1.00 0.00 C ATOM 551 CD LYS B 115 -1.142 -3.158 -6.718 1.00 0.00 C ATOM 552 CE LYS B 115 0.122 -2.684 -6.000 1.00 0.00 C ATOM 553 NZ LYS B 115 1.123 -2.234 -7.007 1.00 0.00 N ATOM 0 H LYS B 115 -3.720 -0.974 -6.901 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.690 -2.886 -6.549 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -3.825 -4.507 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -3.478 -3.303 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -2.425 -2.040 -5.388 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -2.190 -3.709 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -1.018 -4.188 -7.053 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -1.317 -2.552 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -0.118 -1.867 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS B 115 0.535 -3.492 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 1.984 -1.911 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 1.359 -3.025 -7.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 0.726 -1.451 -7.565 1.00 0.00 H new ATOM 567 N GLY B 116 -6.018 -3.534 -4.149 1.00 0.00 N ATOM 568 CA GLY B 116 -6.269 -3.792 -2.703 1.00 0.00 C ATOM 569 C GLY B 116 -7.439 -2.928 -2.227 1.00 0.00 C ATOM 570 O GLY B 116 -7.875 -3.026 -1.097 1.00 0.00 O ATOM 0 H GLY B 116 -6.703 -3.939 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.494 -4.847 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.375 -3.565 -2.122 1.00 0.00 H new ATOM 574 N GLU B 117 -7.953 -2.082 -3.079 1.00 0.00 N ATOM 575 CA GLU B 117 -9.093 -1.212 -2.672 1.00 0.00 C ATOM 576 C GLU B 117 -10.395 -2.013 -2.731 1.00 0.00 C ATOM 577 O GLU B 117 -10.620 -2.786 -3.641 1.00 0.00 O ATOM 578 CB GLU B 117 -9.190 -0.015 -3.621 1.00 0.00 C ATOM 579 CG GLU B 117 -10.315 0.912 -3.156 1.00 0.00 C ATOM 580 CD GLU B 117 -9.792 1.834 -2.053 1.00 0.00 C ATOM 581 OE1 GLU B 117 -9.015 1.367 -1.237 1.00 0.00 O ATOM 582 OE2 GLU B 117 -10.178 2.992 -2.043 1.00 0.00 O ATOM 0 H GLU B 117 -7.632 -1.956 -4.039 1.00 0.00 H new ATOM 0 HA GLU B 117 -8.929 -0.857 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.243 0.525 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -9.383 -0.358 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -10.684 1.503 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -11.155 0.325 -2.786 1.00 0.00 H new ATOM 589 N LYS B 118 -11.258 -1.829 -1.769 1.00 0.00 N ATOM 590 CA LYS B 118 -12.547 -2.576 -1.771 1.00 0.00 C ATOM 591 C LYS B 118 -13.590 -1.780 -2.562 1.00 0.00 C ATOM 592 O LYS B 118 -13.781 -0.601 -2.340 1.00 0.00 O ATOM 593 CB LYS B 118 -13.030 -2.765 -0.330 1.00 0.00 C ATOM 594 CG LYS B 118 -12.424 -4.046 0.249 1.00 0.00 C ATOM 595 CD LYS B 118 -11.042 -3.744 0.835 1.00 0.00 C ATOM 596 CE LYS B 118 -10.310 -5.057 1.117 1.00 0.00 C ATOM 597 NZ LYS B 118 -10.792 -5.627 2.407 1.00 0.00 N ATOM 0 H LYS B 118 -11.126 -1.194 -0.982 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.405 -3.552 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -12.741 -1.907 0.277 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.118 -2.821 -0.305 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -13.077 -4.451 1.022 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.342 -4.805 -0.529 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -10.465 -3.136 0.139 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -11.143 -3.167 1.754 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -10.485 -5.765 0.307 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -9.235 -4.884 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -10.295 -6.520 2.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -10.604 -4.953 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -11.815 -5.806 2.347 1.00 0.00 H new ATOM 611 N PHE B 119 -14.259 -2.411 -3.488 1.00 0.00 N ATOM 612 CA PHE B 119 -15.280 -1.683 -4.294 1.00 0.00 C ATOM 613 C PHE B 119 -16.640 -2.370 -4.155 1.00 0.00 C ATOM 614 O PHE B 119 -16.727 -3.558 -3.912 1.00 0.00 O ATOM 615 CB PHE B 119 -14.864 -1.689 -5.767 1.00 0.00 C ATOM 616 CG PHE B 119 -13.864 -0.587 -6.015 1.00 0.00 C ATOM 617 CD1 PHE B 119 -14.274 0.751 -5.991 1.00 0.00 C ATOM 618 CD2 PHE B 119 -12.525 -0.904 -6.268 1.00 0.00 C ATOM 619 CE1 PHE B 119 -13.345 1.772 -6.222 1.00 0.00 C ATOM 620 CE2 PHE B 119 -11.595 0.116 -6.499 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.005 1.455 -6.476 1.00 0.00 C ATOM 0 H PHE B 119 -14.143 -3.397 -3.721 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.354 -0.657 -3.933 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.429 -2.654 -6.029 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.738 -1.550 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -15.307 0.996 -5.794 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -12.209 -1.937 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -13.662 2.804 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -10.562 -0.129 -6.695 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.288 2.243 -6.654 1.00 0.00 H new ATOM 631 N GLN B 120 -17.702 -1.630 -4.317 1.00 0.00 N ATOM 632 CA GLN B 120 -19.060 -2.233 -4.204 1.00 0.00 C ATOM 633 C GLN B 120 -19.710 -2.265 -5.588 1.00 0.00 C ATOM 634 O GLN B 120 -20.254 -1.281 -6.049 1.00 0.00 O ATOM 635 CB GLN B 120 -19.916 -1.387 -3.259 1.00 0.00 C ATOM 636 CG GLN B 120 -19.938 -2.029 -1.870 1.00 0.00 C ATOM 637 CD GLN B 120 -21.366 -2.452 -1.525 1.00 0.00 C ATOM 638 OE1 GLN B 120 -22.136 -1.670 -1.003 1.00 0.00 O ATOM 639 NE2 GLN B 120 -21.757 -3.668 -1.795 1.00 0.00 N ATOM 0 H GLN B 120 -17.688 -0.631 -4.523 1.00 0.00 H new ATOM 0 HA GLN B 120 -18.981 -3.247 -3.811 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.515 -0.375 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -20.931 -1.304 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.276 -2.894 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.567 -1.324 -1.126 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -21.112 -4.326 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.707 -3.960 -1.568 1.00 0.00 H new ATOM 648 N ILE B 121 -19.657 -3.384 -6.260 1.00 0.00 N ATOM 649 CA ILE B 121 -20.275 -3.467 -7.615 1.00 0.00 C ATOM 650 C ILE B 121 -21.798 -3.498 -7.482 1.00 0.00 C ATOM 651 O ILE B 121 -22.371 -4.465 -7.021 1.00 0.00 O ATOM 652 CB ILE B 121 -19.804 -4.742 -8.323 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.302 -4.652 -8.616 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.567 -4.898 -9.639 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.968 -3.271 -9.187 1.00 0.00 C ATOM 0 H ILE B 121 -19.214 -4.242 -5.930 1.00 0.00 H new ATOM 0 HA ILE B 121 -19.975 -2.596 -8.198 1.00 0.00 H new ATOM 0 HB ILE B 121 -19.993 -5.602 -7.680 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -17.733 -4.826 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -18.013 -5.428 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.235 -5.804 -10.147 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.635 -4.967 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -20.375 -4.034 -10.276 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.899 -3.211 -9.394 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.526 -3.115 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.241 -2.503 -8.464 1.00 0.00 H new ATOM 667 N LEU B 122 -22.460 -2.448 -7.887 1.00 0.00 N ATOM 668 CA LEU B 122 -23.947 -2.423 -7.785 1.00 0.00 C ATOM 669 C LEU B 122 -24.549 -3.015 -9.057 1.00 0.00 C ATOM 670 O LEU B 122 -25.448 -3.832 -9.013 1.00 0.00 O ATOM 671 CB LEU B 122 -24.428 -0.982 -7.617 1.00 0.00 C ATOM 672 CG LEU B 122 -23.408 -0.198 -6.790 1.00 0.00 C ATOM 673 CD1 LEU B 122 -24.009 1.149 -6.384 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.051 -0.996 -5.534 1.00 0.00 C ATOM 0 H LEU B 122 -22.037 -1.609 -8.283 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.262 -3.010 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.558 -0.514 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.400 -0.967 -7.125 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.509 -0.031 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -23.283 1.709 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -24.266 1.717 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.907 0.982 -5.790 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.324 -0.439 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -23.950 -1.162 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -22.624 -1.957 -5.822 1.00 0.00 H new ATOM 686 N ASN B 123 -24.056 -2.611 -10.193 1.00 0.00 N ATOM 687 CA ASN B 123 -24.591 -3.149 -11.473 1.00 0.00 C ATOM 688 C ASN B 123 -23.427 -3.437 -12.423 1.00 0.00 C ATOM 689 O ASN B 123 -22.582 -2.597 -12.658 1.00 0.00 O ATOM 690 CB ASN B 123 -25.527 -2.121 -12.110 1.00 0.00 C ATOM 691 CG ASN B 123 -26.976 -2.592 -11.965 1.00 0.00 C ATOM 692 OD1 ASN B 123 -27.784 -2.498 -12.985 1.00 0.00 O flip ATOM 693 ND2 ASN B 123 -27.377 -3.049 -10.914 1.00 0.00 N flip ATOM 0 H ASN B 123 -23.303 -1.929 -10.290 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.144 -4.068 -11.280 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -25.399 -1.151 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -25.279 -1.991 -13.163 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -26.746 -3.123 -10.116 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -28.345 -3.359 -10.829 1.00 0.00 H new ATOM 700 N SER B 124 -23.376 -4.619 -12.970 1.00 0.00 N ATOM 701 CA SER B 124 -22.265 -4.960 -13.902 1.00 0.00 C ATOM 702 C SER B 124 -22.841 -5.570 -15.180 1.00 0.00 C ATOM 703 O SER B 124 -22.213 -6.379 -15.833 1.00 0.00 O ATOM 704 CB SER B 124 -21.330 -5.969 -13.233 1.00 0.00 C ATOM 705 OG SER B 124 -22.098 -6.866 -12.440 1.00 0.00 O ATOM 0 H SER B 124 -24.055 -5.364 -12.812 1.00 0.00 H new ATOM 0 HA SER B 124 -21.708 -4.056 -14.149 1.00 0.00 H new ATOM 0 HB2 SER B 124 -20.771 -6.521 -13.989 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.600 -5.450 -12.612 1.00 0.00 H new ATOM 0 HG SER B 124 -21.502 -7.515 -12.011 1.00 0.00 H new ATOM 744 N ASP B 128 -17.539 -3.991 -20.872 1.00 0.00 N ATOM 745 CA ASP B 128 -16.376 -4.448 -20.059 1.00 0.00 C ATOM 746 C ASP B 128 -16.136 -3.475 -18.902 1.00 0.00 C ATOM 747 O ASP B 128 -15.063 -3.427 -18.333 1.00 0.00 O ATOM 748 CB ASP B 128 -15.130 -4.501 -20.946 1.00 0.00 C ATOM 749 CG ASP B 128 -15.500 -5.076 -22.315 1.00 0.00 C ATOM 750 OD1 ASP B 128 -16.597 -5.597 -22.439 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.682 -4.986 -23.215 1.00 0.00 O ATOM 0 HA ASP B 128 -16.584 -5.439 -19.656 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -14.710 -3.502 -21.061 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -14.363 -5.117 -20.477 1.00 0.00 H new ATOM 756 N TRP B 129 -17.123 -2.698 -18.549 1.00 0.00 N ATOM 757 CA TRP B 129 -16.943 -1.731 -17.429 1.00 0.00 C ATOM 758 C TRP B 129 -18.187 -1.746 -16.540 1.00 0.00 C ATOM 759 O TRP B 129 -19.294 -1.549 -17.001 1.00 0.00 O ATOM 760 CB TRP B 129 -16.734 -0.327 -17.997 1.00 0.00 C ATOM 761 CG TRP B 129 -15.393 -0.252 -18.654 1.00 0.00 C ATOM 762 CD1 TRP B 129 -15.025 -0.952 -19.752 1.00 0.00 C ATOM 763 CD2 TRP B 129 -14.238 0.552 -18.276 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.717 -0.629 -20.071 1.00 0.00 N ATOM 765 CE2 TRP B 129 -13.189 0.294 -19.191 1.00 0.00 C ATOM 766 CE3 TRP B 129 -14.002 1.471 -17.239 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.950 0.924 -19.079 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.756 2.108 -17.124 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.732 1.835 -18.041 1.00 0.00 C ATOM 0 H TRP B 129 -18.044 -2.691 -18.986 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.072 -2.015 -16.838 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.518 -0.094 -18.718 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.803 0.414 -17.200 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.650 -1.649 -20.291 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -13.206 -1.025 -20.860 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.784 1.688 -16.526 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -11.165 0.710 -19.789 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.586 2.813 -16.324 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.776 2.328 -17.946 1.00 0.00 H new ATOM 780 N TRP B 130 -18.016 -1.981 -15.267 1.00 0.00 N ATOM 781 CA TRP B 130 -19.189 -2.011 -14.350 1.00 0.00 C ATOM 782 C TRP B 130 -19.207 -0.744 -13.493 1.00 0.00 C ATOM 783 O TRP B 130 -18.289 0.051 -13.520 1.00 0.00 O ATOM 784 CB TRP B 130 -19.084 -3.226 -13.427 1.00 0.00 C ATOM 785 CG TRP B 130 -18.973 -4.478 -14.235 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.354 -4.612 -15.526 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.456 -5.775 -13.823 1.00 0.00 C ATOM 788 NE1 TRP B 130 -19.103 -5.912 -15.932 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.548 -6.667 -14.916 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.920 -6.258 -12.616 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -18.125 -7.994 -14.814 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.492 -7.590 -12.509 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.594 -8.457 -13.606 1.00 0.00 C ATOM 0 H TRP B 130 -17.114 -2.153 -14.823 1.00 0.00 H new ATOM 0 HA TRP B 130 -20.102 -2.069 -14.942 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -18.214 -3.125 -12.778 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -19.960 -3.278 -12.781 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.783 -3.833 -16.139 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -19.303 -6.269 -16.866 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.837 -5.599 -11.765 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -18.207 -8.658 -15.662 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.082 -7.949 -11.577 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -17.263 -9.481 -13.518 1.00 0.00 H new ATOM 804 N GLU B 131 -20.243 -0.559 -12.721 1.00 0.00 N ATOM 805 CA GLU B 131 -20.318 0.644 -11.846 1.00 0.00 C ATOM 806 C GLU B 131 -20.061 0.210 -10.403 1.00 0.00 C ATOM 807 O GLU B 131 -20.806 -0.563 -9.836 1.00 0.00 O ATOM 808 CB GLU B 131 -21.708 1.274 -11.957 1.00 0.00 C ATOM 809 CG GLU B 131 -22.777 0.185 -11.845 1.00 0.00 C ATOM 810 CD GLU B 131 -24.128 0.831 -11.531 1.00 0.00 C ATOM 811 OE1 GLU B 131 -24.558 1.667 -12.309 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.709 0.481 -10.517 1.00 0.00 O ATOM 0 H GLU B 131 -21.042 -1.190 -12.659 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.573 1.378 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -21.846 2.015 -11.170 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.806 1.797 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -22.838 -0.378 -12.777 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.509 -0.524 -11.061 1.00 0.00 H new ATOM 819 N ALA B 132 -19.004 0.687 -9.808 1.00 0.00 N ATOM 820 CA ALA B 132 -18.702 0.280 -8.409 1.00 0.00 C ATOM 821 C ALA B 132 -18.890 1.468 -7.466 1.00 0.00 C ATOM 822 O ALA B 132 -19.038 2.597 -7.890 1.00 0.00 O ATOM 823 CB ALA B 132 -17.255 -0.213 -8.326 1.00 0.00 C ATOM 0 H ALA B 132 -18.340 1.338 -10.227 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.381 -0.520 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -17.031 -0.512 -7.302 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.123 -1.067 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.580 0.588 -8.626 1.00 0.00 H new ATOM 829 N ARG B 133 -18.883 1.217 -6.186 1.00 0.00 N ATOM 830 CA ARG B 133 -19.056 2.322 -5.205 1.00 0.00 C ATOM 831 C ARG B 133 -17.852 2.352 -4.263 1.00 0.00 C ATOM 832 O ARG B 133 -17.603 1.415 -3.529 1.00 0.00 O ATOM 833 CB ARG B 133 -20.334 2.088 -4.394 1.00 0.00 C ATOM 834 CG ARG B 133 -20.390 3.078 -3.228 1.00 0.00 C ATOM 835 CD ARG B 133 -21.839 3.510 -2.997 1.00 0.00 C ATOM 836 NE ARG B 133 -21.901 4.442 -1.835 1.00 0.00 N ATOM 837 CZ ARG B 133 -22.856 4.321 -0.953 1.00 0.00 C ATOM 838 NH1 ARG B 133 -22.976 3.216 -0.271 1.00 0.00 N ATOM 839 NH2 ARG B 133 -23.688 5.305 -0.755 1.00 0.00 N ATOM 0 H ARG B 133 -18.764 0.290 -5.777 1.00 0.00 H new ATOM 0 HA ARG B 133 -19.131 3.273 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -21.209 2.212 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.356 1.065 -4.017 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -19.988 2.617 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -19.770 3.948 -3.445 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -22.231 3.998 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -22.465 2.637 -2.810 1.00 0.00 H new ATOM 0 HE ARG B 133 -21.198 5.173 -1.729 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -22.324 2.447 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -23.722 3.121 0.418 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -23.593 6.169 -1.289 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.434 5.211 -0.066 1.00 0.00 H new ATOM 853 N SER B 134 -17.100 3.416 -4.282 1.00 0.00 N ATOM 854 CA SER B 134 -15.908 3.504 -3.392 1.00 0.00 C ATOM 855 C SER B 134 -16.353 3.435 -1.929 1.00 0.00 C ATOM 856 O SER B 134 -17.176 4.209 -1.483 1.00 0.00 O ATOM 857 CB SER B 134 -15.186 4.827 -3.643 1.00 0.00 C ATOM 858 OG SER B 134 -14.897 4.948 -5.030 1.00 0.00 O ATOM 0 H SER B 134 -17.259 4.230 -4.876 1.00 0.00 H new ATOM 0 HA SER B 134 -15.234 2.674 -3.604 1.00 0.00 H new ATOM 0 HB2 SER B 134 -15.806 5.661 -3.315 1.00 0.00 H new ATOM 0 HB3 SER B 134 -14.264 4.867 -3.063 1.00 0.00 H new ATOM 0 HG SER B 134 -14.435 5.796 -5.195 1.00 0.00 H new ATOM 864 N LEU B 135 -15.812 2.515 -1.180 1.00 0.00 N ATOM 865 CA LEU B 135 -16.201 2.397 0.253 1.00 0.00 C ATOM 866 C LEU B 135 -15.376 3.379 1.090 1.00 0.00 C ATOM 867 O LEU B 135 -15.570 3.509 2.282 1.00 0.00 O ATOM 868 CB LEU B 135 -15.935 0.971 0.738 1.00 0.00 C ATOM 869 CG LEU B 135 -17.068 0.054 0.273 1.00 0.00 C ATOM 870 CD1 LEU B 135 -16.698 -1.401 0.562 1.00 0.00 C ATOM 871 CD2 LEU B 135 -18.351 0.412 1.024 1.00 0.00 C ATOM 0 H LEU B 135 -15.117 1.840 -1.498 1.00 0.00 H new ATOM 0 HA LEU B 135 -17.261 2.628 0.360 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -14.981 0.615 0.348 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -15.861 0.953 1.825 1.00 0.00 H new ATOM 0 HG LEU B 135 -17.224 0.183 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -17.505 -2.054 0.231 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -15.782 -1.656 0.029 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -16.542 -1.531 1.633 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.160 -0.240 0.694 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.194 0.282 2.095 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -18.615 1.449 0.819 1.00 0.00 H new ATOM 883 N THR B 136 -14.454 4.070 0.476 1.00 0.00 N ATOM 884 CA THR B 136 -13.617 5.039 1.238 1.00 0.00 C ATOM 885 C THR B 136 -14.123 6.461 0.989 1.00 0.00 C ATOM 886 O THR B 136 -14.038 7.318 1.844 1.00 0.00 O ATOM 887 CB THR B 136 -12.164 4.926 0.773 1.00 0.00 C ATOM 888 OG1 THR B 136 -11.654 3.646 1.121 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.325 6.013 1.447 1.00 0.00 C ATOM 0 H THR B 136 -14.245 4.005 -0.520 1.00 0.00 H new ATOM 0 HA THR B 136 -13.679 4.815 2.303 1.00 0.00 H new ATOM 0 HB THR B 136 -12.118 5.053 -0.309 1.00 0.00 H new ATOM 0 HG1 THR B 136 -10.724 3.572 0.822 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.290 5.932 1.115 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.716 6.994 1.178 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.370 5.889 2.529 1.00 0.00 H new ATOM 897 N THR B 137 -14.649 6.718 -0.178 1.00 0.00 N ATOM 898 CA THR B 137 -15.158 8.086 -0.478 1.00 0.00 C ATOM 899 C THR B 137 -16.684 8.096 -0.387 1.00 0.00 C ATOM 900 O THR B 137 -17.278 9.000 0.165 1.00 0.00 O ATOM 901 CB THR B 137 -14.733 8.491 -1.891 1.00 0.00 C ATOM 902 OG1 THR B 137 -14.668 7.335 -2.714 1.00 0.00 O ATOM 903 CG2 THR B 137 -13.361 9.163 -1.840 1.00 0.00 C ATOM 0 H THR B 137 -14.748 6.041 -0.935 1.00 0.00 H new ATOM 0 HA THR B 137 -14.745 8.791 0.244 1.00 0.00 H new ATOM 0 HB THR B 137 -15.461 9.190 -2.304 1.00 0.00 H new ATOM 0 HG1 THR B 137 -14.398 7.593 -3.620 1.00 0.00 H new ATOM 0 HG21 THR B 137 -13.059 9.451 -2.847 1.00 0.00 H new ATOM 0 HG22 THR B 137 -13.414 10.050 -1.209 1.00 0.00 H new ATOM 0 HG23 THR B 137 -12.630 8.467 -1.427 1.00 0.00 H new ATOM 911 N GLY B 138 -17.324 7.095 -0.927 1.00 0.00 N ATOM 912 CA GLY B 138 -18.812 7.047 -0.873 1.00 0.00 C ATOM 913 C GLY B 138 -19.388 7.473 -2.225 1.00 0.00 C ATOM 914 O GLY B 138 -20.585 7.596 -2.389 1.00 0.00 O ATOM 0 H GLY B 138 -16.881 6.309 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -19.145 6.039 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -19.179 7.706 -0.086 1.00 0.00 H new ATOM 918 N GLU B 139 -18.547 7.698 -3.199 1.00 0.00 N ATOM 919 CA GLU B 139 -19.051 8.115 -4.537 1.00 0.00 C ATOM 920 C GLU B 139 -19.101 6.901 -5.466 1.00 0.00 C ATOM 921 O GLU B 139 -18.406 5.924 -5.266 1.00 0.00 O ATOM 922 CB GLU B 139 -18.116 9.170 -5.130 1.00 0.00 C ATOM 923 CG GLU B 139 -17.919 10.304 -4.123 1.00 0.00 C ATOM 924 CD GLU B 139 -16.494 10.846 -4.240 1.00 0.00 C ATOM 925 OE1 GLU B 139 -15.582 10.041 -4.336 1.00 0.00 O ATOM 926 OE2 GLU B 139 -16.338 12.056 -4.231 1.00 0.00 O ATOM 0 H GLU B 139 -17.533 7.611 -3.125 1.00 0.00 H new ATOM 0 HA GLU B 139 -20.052 8.534 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -17.155 8.720 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -18.534 9.562 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -18.639 11.100 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -18.100 9.942 -3.111 1.00 0.00 H new ATOM 933 N THR B 140 -19.918 6.955 -6.482 1.00 0.00 N ATOM 934 CA THR B 140 -20.013 5.805 -7.426 1.00 0.00 C ATOM 935 C THR B 140 -19.365 6.184 -8.759 1.00 0.00 C ATOM 936 O THR B 140 -19.457 7.311 -9.207 1.00 0.00 O ATOM 937 CB THR B 140 -21.486 5.455 -7.656 1.00 0.00 C ATOM 938 OG1 THR B 140 -22.299 6.542 -7.234 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.846 4.204 -6.854 1.00 0.00 C ATOM 0 H THR B 140 -20.524 7.746 -6.700 1.00 0.00 H new ATOM 0 HA THR B 140 -19.496 4.944 -7.003 1.00 0.00 H new ATOM 0 HB THR B 140 -21.655 5.264 -8.716 1.00 0.00 H new ATOM 0 HG1 THR B 140 -23.242 6.322 -7.382 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.895 3.956 -7.018 1.00 0.00 H new ATOM 0 HG22 THR B 140 -21.221 3.372 -7.178 1.00 0.00 H new ATOM 0 HG23 THR B 140 -21.679 4.391 -5.793 1.00 0.00 H new ATOM 947 N GLY B 141 -18.712 5.252 -9.399 1.00 0.00 N ATOM 948 CA GLY B 141 -18.060 5.562 -10.703 1.00 0.00 C ATOM 949 C GLY B 141 -18.053 4.311 -11.585 1.00 0.00 C ATOM 950 O GLY B 141 -18.747 3.349 -11.319 1.00 0.00 O ATOM 0 H GLY B 141 -18.602 4.291 -9.076 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -18.593 6.370 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.040 5.908 -10.538 1.00 0.00 H new ATOM 954 N TYR B 142 -17.280 4.318 -12.636 1.00 0.00 N ATOM 955 CA TYR B 142 -17.238 3.131 -13.536 1.00 0.00 C ATOM 956 C TYR B 142 -15.793 2.658 -13.707 1.00 0.00 C ATOM 957 O TYR B 142 -14.929 3.405 -14.121 1.00 0.00 O ATOM 958 CB TYR B 142 -17.814 3.515 -14.899 1.00 0.00 C ATOM 959 CG TYR B 142 -19.247 3.951 -14.727 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.539 5.134 -14.037 1.00 0.00 C ATOM 961 CD2 TYR B 142 -20.284 3.172 -15.252 1.00 0.00 C ATOM 962 CE1 TYR B 142 -20.869 5.537 -13.873 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.614 3.576 -15.088 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.907 4.759 -14.399 1.00 0.00 C ATOM 965 OH TYR B 142 -23.218 5.157 -14.236 1.00 0.00 O ATOM 0 H TYR B 142 -16.676 5.093 -12.910 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.827 2.324 -13.100 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -17.227 4.320 -15.341 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.759 2.668 -15.582 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.738 5.735 -13.632 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -20.058 2.259 -15.784 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -21.095 6.449 -13.340 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -22.415 2.975 -15.493 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.813 4.505 -14.662 1.00 0.00 H new ATOM 975 N ILE B 143 -15.528 1.417 -13.398 1.00 0.00 N ATOM 976 CA ILE B 143 -14.143 0.890 -13.550 1.00 0.00 C ATOM 977 C ILE B 143 -14.177 -0.399 -14.370 1.00 0.00 C ATOM 978 O ILE B 143 -15.206 -1.036 -14.482 1.00 0.00 O ATOM 979 CB ILE B 143 -13.551 0.582 -12.174 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.431 -0.451 -11.467 1.00 0.00 C ATOM 981 CG2 ILE B 143 -13.499 1.865 -11.342 1.00 0.00 C ATOM 982 CD1 ILE B 143 -13.569 -1.318 -10.548 1.00 0.00 C ATOM 0 H ILE B 143 -16.211 0.746 -13.047 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.531 1.638 -14.054 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.542 0.186 -12.289 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -15.205 0.052 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -14.938 -1.076 -12.202 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.077 1.646 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -12.876 2.602 -11.849 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -14.507 2.262 -11.223 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -14.198 -2.053 -10.046 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -12.811 -1.832 -11.139 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -13.083 -0.687 -9.804 1.00 0.00 H new ATOM 994 N PRO B 144 -13.041 -0.751 -14.912 1.00 0.00 N ATOM 995 CA PRO B 144 -12.902 -1.973 -15.719 1.00 0.00 C ATOM 996 C PRO B 144 -13.338 -3.189 -14.894 1.00 0.00 C ATOM 997 O PRO B 144 -12.879 -3.394 -13.788 1.00 0.00 O ATOM 998 CB PRO B 144 -11.405 -2.052 -16.050 1.00 0.00 C ATOM 999 CG PRO B 144 -10.715 -0.834 -15.379 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.806 0.037 -14.762 1.00 0.00 C ATOM 0 HA PRO B 144 -13.517 -1.958 -16.618 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.979 -2.985 -15.681 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -11.249 -2.035 -17.129 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -10.013 -1.166 -14.614 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -10.142 -0.267 -16.113 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.597 0.250 -13.714 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.884 0.996 -15.273 1.00 0.00 H new ATOM 1008 N SER B 145 -14.226 -3.991 -15.415 1.00 0.00 N ATOM 1009 CA SER B 145 -14.690 -5.180 -14.654 1.00 0.00 C ATOM 1010 C SER B 145 -13.531 -6.164 -14.468 1.00 0.00 C ATOM 1011 O SER B 145 -13.466 -6.882 -13.490 1.00 0.00 O ATOM 1012 CB SER B 145 -15.817 -5.859 -15.428 1.00 0.00 C ATOM 1013 OG SER B 145 -15.360 -6.187 -16.734 1.00 0.00 O ATOM 0 H SER B 145 -14.649 -3.872 -16.335 1.00 0.00 H new ATOM 0 HA SER B 145 -15.051 -4.867 -13.674 1.00 0.00 H new ATOM 0 HB2 SER B 145 -16.140 -6.760 -14.907 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.682 -5.198 -15.488 1.00 0.00 H new ATOM 0 HG SER B 145 -16.076 -6.639 -17.227 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.615 -6.202 -15.397 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.463 -7.139 -15.268 1.00 0.00 C ATOM 1021 C ASN B 146 -10.478 -6.596 -14.231 1.00 0.00 C ATOM 1022 O ASN B 146 -9.560 -7.275 -13.816 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.760 -7.273 -16.621 1.00 0.00 C ATOM 1024 CG ASN B 146 -9.428 -7.999 -16.435 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -8.378 -7.322 -16.058 1.00 0.00 O flip ATOM 1026 ND2 ASN B 146 -9.340 -9.194 -16.634 1.00 0.00 N flip ATOM 0 H ASN B 146 -12.614 -5.626 -16.239 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.823 -8.117 -14.949 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -11.392 -7.824 -17.318 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -10.591 -6.287 -17.054 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -10.160 -9.724 -16.929 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -8.446 -9.668 -16.506 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.663 -5.375 -13.806 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.743 -4.787 -12.794 1.00 0.00 C ATOM 1035 C TYR B 147 -10.254 -5.114 -11.388 1.00 0.00 C ATOM 1036 O TYR B 147 -9.683 -4.701 -10.398 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.692 -3.267 -12.973 1.00 0.00 C ATOM 1038 CG TYR B 147 -8.467 -2.890 -13.773 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.978 -3.758 -14.757 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.820 -1.673 -13.529 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.843 -3.408 -15.497 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.684 -1.323 -14.269 1.00 0.00 C ATOM 1043 CZ TYR B 147 -6.196 -2.190 -15.253 1.00 0.00 C ATOM 1044 OH TYR B 147 -5.076 -1.847 -15.984 1.00 0.00 O ATOM 0 H TYR B 147 -11.414 -4.759 -14.118 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.745 -5.204 -12.926 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.591 -2.921 -13.482 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.668 -2.777 -12.000 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.477 -4.697 -14.945 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -8.197 -1.004 -12.770 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -6.466 -4.077 -16.256 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -6.185 -0.384 -14.080 1.00 0.00 H new ATOM 0 HH TYR B 147 -4.750 -0.971 -15.691 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.327 -5.852 -11.291 1.00 0.00 N ATOM 1055 CA VAL B 148 -11.872 -6.201 -9.949 1.00 0.00 C ATOM 1056 C VAL B 148 -12.333 -7.659 -9.947 1.00 0.00 C ATOM 1057 O VAL B 148 -12.545 -8.255 -10.985 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.061 -5.294 -9.631 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -12.571 -3.860 -9.427 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.051 -5.333 -10.797 1.00 0.00 C ATOM 0 H VAL B 148 -11.849 -6.228 -12.083 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.096 -6.064 -9.196 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.551 -5.641 -8.721 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -13.419 -3.214 -9.200 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -11.862 -3.832 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.081 -3.510 -10.336 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -14.901 -4.688 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.558 -4.984 -11.705 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.400 -6.355 -10.944 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.494 -8.239 -8.790 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.946 -9.657 -8.722 1.00 0.00 C ATOM 1072 C ALA B 149 -13.664 -9.895 -7.390 1.00 0.00 C ATOM 1073 O ALA B 149 -13.438 -9.182 -6.432 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.735 -10.587 -8.821 1.00 0.00 C ATOM 0 H ALA B 149 -12.332 -7.792 -7.888 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.627 -9.862 -9.548 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -12.067 -11.624 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -11.221 -10.416 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -11.052 -10.385 -7.996 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.509 -10.893 -7.371 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.273 -11.248 -6.163 1.00 0.00 C ATOM 1082 C PRO B 150 -14.319 -11.605 -5.021 1.00 0.00 C ATOM 1083 O PRO B 150 -13.399 -12.381 -5.187 1.00 0.00 O ATOM 1084 CB PRO B 150 -16.112 -12.466 -6.573 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.790 -12.784 -8.056 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.767 -11.747 -8.544 1.00 0.00 C ATOM 0 HA PRO B 150 -15.895 -10.427 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -15.879 -13.322 -5.939 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -17.175 -12.258 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.388 -13.793 -8.152 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.695 -12.742 -8.661 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.853 -12.227 -8.893 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -15.160 -11.166 -9.378 1.00 0.00 H new ATOM 1094 N VAL B 151 -14.531 -11.041 -3.863 1.00 0.00 N ATOM 1095 CA VAL B 151 -13.638 -11.343 -2.709 1.00 0.00 C ATOM 1096 C VAL B 151 -13.350 -12.846 -2.664 1.00 0.00 C ATOM 1097 O VAL B 151 -14.297 -13.612 -2.710 1.00 0.00 O ATOM 1098 CB VAL B 151 -14.324 -10.918 -1.410 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -13.338 -11.044 -0.247 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -14.784 -9.464 -1.531 1.00 0.00 C ATOM 0 H VAL B 151 -15.285 -10.383 -3.666 1.00 0.00 H new ATOM 0 HA VAL B 151 -12.701 -10.797 -2.823 1.00 0.00 H new ATOM 0 HB VAL B 151 -15.186 -11.560 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -13.827 -10.741 0.679 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -13.007 -12.079 -0.161 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -12.476 -10.402 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -15.273 -9.159 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -13.921 -8.823 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -15.486 -9.372 -2.360 1.00 0.00 H new