USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 134 SER OG : rot -70:sc=-0.00266 USER MOD Set 1.2: B 137 THR OG1 : rot 180:sc= -0.0545 USER MOD Set 2.1: B 114 HIS : no HD1:sc= -3.57! K(o=-3.6!,f=-1.9) USER MOD Set 2.2: B 115 LYS NZ :NH3+ -165:sc= -0.004 (180deg=-0.053) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 103 TYR OH : rot -44:sc= 1.1 USER MOD Single : B 107 THR OG1 : rot 104:sc= 0.537 USER MOD Single : B 112 SER OG : rot 180:sc= 0 USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : B 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 124 SER OG : rot 160:sc= -0.08 USER MOD Single : B 136 THR OG1 : rot 180:sc= 0 USER MOD Single : B 140 THR OG1 : rot 180:sc= -1.77! USER MOD Single : B 142 TYR OH : rot 180:sc= 0 USER MOD Single : B 145 SER OG : rot -121:sc= 0.979 USER MOD Single : B 146 ASN : amide:sc= -0.801 X(o=-0.8,f=-0.72) USER MOD Single : B 147 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N LEU A 95 -10.591 -1.032 -21.431 1.00 0.00 N ATOM 70 CA LEU A 95 -9.874 -2.013 -20.562 1.00 0.00 C ATOM 71 C LEU A 95 -8.359 -1.913 -20.801 1.00 0.00 C ATOM 72 O LEU A 95 -7.883 -2.251 -21.867 1.00 0.00 O ATOM 73 CB LEU A 95 -10.345 -3.426 -20.911 1.00 0.00 C ATOM 74 CG LEU A 95 -11.494 -3.825 -19.983 1.00 0.00 C ATOM 75 CD1 LEU A 95 -12.257 -5.003 -20.591 1.00 0.00 C ATOM 76 CD2 LEU A 95 -10.932 -4.229 -18.619 1.00 0.00 C ATOM 0 HA LEU A 95 -10.088 -1.794 -19.516 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.672 -3.465 -21.950 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.520 -4.131 -20.810 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.171 -2.980 -19.860 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -13.075 -5.287 -19.929 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.659 -4.714 -21.562 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.581 -5.849 -20.715 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.751 -4.513 -17.958 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.254 -5.074 -18.741 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.390 -3.388 -18.185 1.00 0.00 H new ATOM 88 N PRO A 96 -7.641 -1.451 -19.804 1.00 0.00 N ATOM 89 CA PRO A 96 -6.176 -1.301 -19.895 1.00 0.00 C ATOM 90 C PRO A 96 -5.516 -2.666 -20.109 1.00 0.00 C ATOM 91 O PRO A 96 -4.354 -2.757 -20.453 1.00 0.00 O ATOM 92 CB PRO A 96 -5.755 -0.704 -18.545 1.00 0.00 C ATOM 93 CG PRO A 96 -7.035 -0.526 -17.690 1.00 0.00 C ATOM 94 CD PRO A 96 -8.225 -1.041 -18.515 1.00 0.00 C ATOM 0 HA PRO A 96 -5.876 -0.670 -20.732 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.046 -1.361 -18.041 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -5.255 0.254 -18.689 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.950 -1.080 -16.755 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.177 0.522 -17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.717 -1.878 -18.020 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.978 -0.264 -18.651 1.00 0.00 H new ATOM 238 N LEU B 86 -19.125 -8.184 -2.928 1.00 0.00 N ATOM 239 CA LEU B 86 -18.026 -7.180 -2.869 1.00 0.00 C ATOM 240 C LEU B 86 -16.936 -7.557 -3.875 1.00 0.00 C ATOM 241 O LEU B 86 -16.679 -8.719 -4.118 1.00 0.00 O ATOM 242 CB LEU B 86 -17.434 -7.160 -1.458 1.00 0.00 C ATOM 243 CG LEU B 86 -17.358 -5.718 -0.952 1.00 0.00 C ATOM 244 CD1 LEU B 86 -18.753 -5.248 -0.536 1.00 0.00 C ATOM 245 CD2 LEU B 86 -16.419 -5.652 0.255 1.00 0.00 C ATOM 0 HA LEU B 86 -18.419 -6.193 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -18.049 -7.759 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -16.440 -7.607 -1.464 1.00 0.00 H new ATOM 0 HG LEU B 86 -16.979 -5.074 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -18.698 -4.221 -0.176 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -19.424 -5.297 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -19.132 -5.891 0.258 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -16.363 -4.625 0.617 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -16.799 -6.296 1.048 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -15.424 -5.987 -0.039 1.00 0.00 H new ATOM 257 N PHE B 87 -16.292 -6.584 -4.461 1.00 0.00 N ATOM 258 CA PHE B 87 -15.218 -6.890 -5.448 1.00 0.00 C ATOM 259 C PHE B 87 -13.993 -6.020 -5.153 1.00 0.00 C ATOM 260 O PHE B 87 -14.079 -4.810 -5.095 1.00 0.00 O ATOM 261 CB PHE B 87 -15.721 -6.592 -6.862 1.00 0.00 C ATOM 262 CG PHE B 87 -16.809 -7.572 -7.232 1.00 0.00 C ATOM 263 CD1 PHE B 87 -16.476 -8.803 -7.813 1.00 0.00 C ATOM 264 CD2 PHE B 87 -18.150 -7.248 -6.997 1.00 0.00 C ATOM 265 CE1 PHE B 87 -17.486 -9.709 -8.157 1.00 0.00 C ATOM 266 CE2 PHE B 87 -19.159 -8.156 -7.342 1.00 0.00 C ATOM 267 CZ PHE B 87 -18.827 -9.386 -7.922 1.00 0.00 C ATOM 0 H PHE B 87 -16.463 -5.592 -4.299 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.947 -7.943 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -16.103 -5.573 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.898 -6.662 -7.573 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.441 -9.052 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -18.407 -6.299 -6.550 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -17.230 -10.658 -8.604 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -20.194 -7.907 -7.160 1.00 0.00 H new ATOM 0 HZ PHE B 87 -19.606 -10.085 -8.188 1.00 0.00 H new ATOM 277 N VAL B 88 -12.852 -6.628 -4.963 1.00 0.00 N ATOM 278 CA VAL B 88 -11.623 -5.835 -4.672 1.00 0.00 C ATOM 279 C VAL B 88 -10.925 -5.485 -5.988 1.00 0.00 C ATOM 280 O VAL B 88 -10.975 -6.234 -6.944 1.00 0.00 O ATOM 281 CB VAL B 88 -10.667 -6.655 -3.797 1.00 0.00 C ATOM 282 CG1 VAL B 88 -9.943 -5.724 -2.823 1.00 0.00 C ATOM 283 CG2 VAL B 88 -11.454 -7.703 -3.004 1.00 0.00 C ATOM 0 H VAL B 88 -12.718 -7.639 -4.997 1.00 0.00 H new ATOM 0 HA VAL B 88 -11.901 -4.923 -4.144 1.00 0.00 H new ATOM 0 HB VAL B 88 -9.941 -7.157 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL B 88 -9.263 -6.306 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL B 88 -9.376 -4.981 -3.384 1.00 0.00 H new ATOM 0 HG13 VAL B 88 -10.674 -5.221 -2.190 1.00 0.00 H new ATOM 0 HG21 VAL B 88 -10.768 -8.281 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL B 88 -12.185 -7.204 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL B 88 -11.970 -8.370 -3.695 1.00 0.00 H new ATOM 293 N ALA B 89 -10.271 -4.357 -6.047 1.00 0.00 N ATOM 294 CA ALA B 89 -9.571 -3.970 -7.305 1.00 0.00 C ATOM 295 C ALA B 89 -8.215 -4.681 -7.364 1.00 0.00 C ATOM 296 O ALA B 89 -7.351 -4.462 -6.539 1.00 0.00 O ATOM 297 CB ALA B 89 -9.365 -2.453 -7.330 1.00 0.00 C ATOM 0 H ALA B 89 -10.191 -3.688 -5.281 1.00 0.00 H new ATOM 0 HA ALA B 89 -10.172 -4.262 -8.167 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -8.853 -2.170 -8.250 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -10.333 -1.954 -7.285 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -8.762 -2.154 -6.473 1.00 0.00 H new ATOM 303 N LEU B 100 -8.026 -5.543 -8.329 1.00 0.00 N ATOM 304 CA LEU B 100 -6.732 -6.277 -8.434 1.00 0.00 C ATOM 305 C LEU B 100 -5.664 -5.373 -9.051 1.00 0.00 C ATOM 306 O LEU B 100 -4.502 -5.725 -9.112 1.00 0.00 O ATOM 307 CB LEU B 100 -6.912 -7.513 -9.317 1.00 0.00 C ATOM 308 CG LEU B 100 -8.172 -8.269 -8.897 1.00 0.00 C ATOM 309 CD1 LEU B 100 -9.054 -8.512 -10.124 1.00 0.00 C ATOM 310 CD2 LEU B 100 -7.777 -9.613 -8.281 1.00 0.00 C ATOM 0 H LEU B 100 -8.712 -5.770 -9.049 1.00 0.00 H new ATOM 0 HA LEU B 100 -6.417 -6.579 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.986 -7.216 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -6.041 -8.163 -9.231 1.00 0.00 H new ATOM 0 HG LEU B 100 -8.723 -7.679 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -9.953 -9.051 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -9.335 -7.556 -10.566 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -8.504 -9.102 -10.857 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -8.675 -10.154 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -7.227 -10.202 -9.015 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -7.147 -9.442 -7.408 1.00 0.00 H new ATOM 322 N TYR B 101 -6.040 -4.215 -9.517 1.00 0.00 N ATOM 323 CA TYR B 101 -5.034 -3.306 -10.133 1.00 0.00 C ATOM 324 C TYR B 101 -5.405 -1.853 -9.835 1.00 0.00 C ATOM 325 O TYR B 101 -6.545 -1.536 -9.557 1.00 0.00 O ATOM 326 CB TYR B 101 -5.009 -3.528 -11.648 1.00 0.00 C ATOM 327 CG TYR B 101 -4.661 -4.969 -11.943 1.00 0.00 C ATOM 328 CD1 TYR B 101 -3.321 -5.353 -12.072 1.00 0.00 C ATOM 329 CD2 TYR B 101 -5.679 -5.920 -12.089 1.00 0.00 C ATOM 330 CE1 TYR B 101 -3.000 -6.689 -12.348 1.00 0.00 C ATOM 331 CE2 TYR B 101 -5.357 -7.255 -12.366 1.00 0.00 C ATOM 332 CZ TYR B 101 -4.017 -7.639 -12.495 1.00 0.00 C ATOM 333 OH TYR B 101 -3.699 -8.955 -12.768 1.00 0.00 O ATOM 0 H TYR B 101 -6.996 -3.860 -9.498 1.00 0.00 H new ATOM 0 HA TYR B 101 -4.049 -3.519 -9.717 1.00 0.00 H new ATOM 0 HB2 TYR B 101 -5.980 -3.282 -12.078 1.00 0.00 H new ATOM 0 HB3 TYR B 101 -4.278 -2.865 -12.111 1.00 0.00 H new ATOM 0 HD1 TYR B 101 -2.535 -4.621 -11.959 1.00 0.00 H new ATOM 0 HD2 TYR B 101 -6.713 -5.624 -11.988 1.00 0.00 H new ATOM 0 HE1 TYR B 101 -1.966 -6.986 -12.447 1.00 0.00 H new ATOM 0 HE2 TYR B 101 -6.142 -7.988 -12.480 1.00 0.00 H new ATOM 0 HH TYR B 101 -4.522 -9.483 -12.838 1.00 0.00 H new ATOM 343 N ASP B 102 -4.450 -0.964 -9.891 1.00 0.00 N ATOM 344 CA ASP B 102 -4.746 0.468 -9.610 1.00 0.00 C ATOM 345 C ASP B 102 -5.231 1.152 -10.890 1.00 0.00 C ATOM 346 O ASP B 102 -4.813 0.819 -11.982 1.00 0.00 O ATOM 347 CB ASP B 102 -3.478 1.163 -9.109 1.00 0.00 C ATOM 348 CG ASP B 102 -2.391 1.081 -10.182 1.00 0.00 C ATOM 349 OD1 ASP B 102 -2.583 0.344 -11.136 1.00 0.00 O ATOM 350 OD2 ASP B 102 -1.385 1.754 -10.031 1.00 0.00 O ATOM 0 H ASP B 102 -3.477 -1.169 -10.119 1.00 0.00 H new ATOM 0 HA ASP B 102 -5.522 0.534 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP B 102 -3.692 2.205 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP B 102 -3.132 0.692 -8.189 1.00 0.00 H new ATOM 355 N TYR B 103 -6.112 2.106 -10.763 1.00 0.00 N ATOM 356 CA TYR B 103 -6.628 2.815 -11.969 1.00 0.00 C ATOM 357 C TYR B 103 -6.718 4.314 -11.673 1.00 0.00 C ATOM 358 O TYR B 103 -7.089 4.720 -10.590 1.00 0.00 O ATOM 359 CB TYR B 103 -8.018 2.274 -12.317 1.00 0.00 C ATOM 360 CG TYR B 103 -8.577 3.023 -13.503 1.00 0.00 C ATOM 361 CD1 TYR B 103 -9.258 4.230 -13.311 1.00 0.00 C ATOM 362 CD2 TYR B 103 -8.421 2.507 -14.796 1.00 0.00 C ATOM 363 CE1 TYR B 103 -9.782 4.922 -14.409 1.00 0.00 C ATOM 364 CE2 TYR B 103 -8.945 3.198 -15.895 1.00 0.00 C ATOM 365 CZ TYR B 103 -9.626 4.406 -15.702 1.00 0.00 C ATOM 366 OH TYR B 103 -10.143 5.087 -16.784 1.00 0.00 O ATOM 0 H TYR B 103 -6.498 2.426 -9.875 1.00 0.00 H new ATOM 0 HA TYR B 103 -5.955 2.651 -12.810 1.00 0.00 H new ATOM 0 HB2 TYR B 103 -7.958 1.209 -12.543 1.00 0.00 H new ATOM 0 HB3 TYR B 103 -8.684 2.381 -11.461 1.00 0.00 H new ATOM 0 HD1 TYR B 103 -9.379 4.628 -12.314 1.00 0.00 H new ATOM 0 HD2 TYR B 103 -7.896 1.575 -14.945 1.00 0.00 H new ATOM 0 HE1 TYR B 103 -10.307 5.854 -14.259 1.00 0.00 H new ATOM 0 HE2 TYR B 103 -8.824 2.799 -16.891 1.00 0.00 H new ATOM 0 HH TYR B 103 -11.048 5.399 -16.572 1.00 0.00 H new ATOM 376 N GLU B 104 -6.380 5.141 -12.624 1.00 0.00 N ATOM 377 CA GLU B 104 -6.446 6.611 -12.390 1.00 0.00 C ATOM 378 C GLU B 104 -7.616 7.199 -13.180 1.00 0.00 C ATOM 379 O GLU B 104 -7.685 7.076 -14.387 1.00 0.00 O ATOM 380 CB GLU B 104 -5.141 7.262 -12.849 1.00 0.00 C ATOM 381 CG GLU B 104 -4.875 6.896 -14.310 1.00 0.00 C ATOM 382 CD GLU B 104 -3.491 6.257 -14.432 1.00 0.00 C ATOM 383 OE1 GLU B 104 -2.539 6.855 -13.956 1.00 0.00 O ATOM 384 OE2 GLU B 104 -3.406 5.181 -15.001 1.00 0.00 O ATOM 0 H GLU B 104 -6.061 4.863 -13.552 1.00 0.00 H new ATOM 0 HA GLU B 104 -6.591 6.803 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -5.204 8.345 -12.740 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -4.315 6.926 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -5.639 6.206 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.932 7.787 -14.935 1.00 0.00 H new ATOM 391 N ALA B 105 -8.537 7.834 -12.510 1.00 0.00 N ATOM 392 CA ALA B 105 -9.701 8.423 -13.221 1.00 0.00 C ATOM 393 C ALA B 105 -9.225 9.535 -14.157 1.00 0.00 C ATOM 394 O ALA B 105 -8.573 10.474 -13.743 1.00 0.00 O ATOM 395 CB ALA B 105 -10.685 9.000 -12.200 1.00 0.00 C ATOM 0 H ALA B 105 -8.532 7.970 -11.499 1.00 0.00 H new ATOM 0 HA ALA B 105 -10.196 7.648 -13.806 1.00 0.00 H new ATOM 0 HB1 ALA B 105 -11.539 9.432 -12.722 1.00 0.00 H new ATOM 0 HB2 ALA B 105 -11.029 8.206 -11.537 1.00 0.00 H new ATOM 0 HB3 ALA B 105 -10.189 9.773 -11.613 1.00 0.00 H new ATOM 401 N ARG B 106 -9.552 9.438 -15.417 1.00 0.00 N ATOM 402 CA ARG B 106 -9.127 10.489 -16.383 1.00 0.00 C ATOM 403 C ARG B 106 -10.317 11.394 -16.705 1.00 0.00 C ATOM 404 O ARG B 106 -10.211 12.323 -17.482 1.00 0.00 O ATOM 405 CB ARG B 106 -8.631 9.827 -17.670 1.00 0.00 C ATOM 406 CG ARG B 106 -9.815 9.190 -18.399 1.00 0.00 C ATOM 407 CD ARG B 106 -9.341 7.947 -19.154 1.00 0.00 C ATOM 408 NE ARG B 106 -10.523 7.189 -19.650 1.00 0.00 N ATOM 409 CZ ARG B 106 -10.730 7.072 -20.933 1.00 0.00 C ATOM 410 NH1 ARG B 106 -9.719 6.974 -21.751 1.00 0.00 N ATOM 411 NH2 ARG B 106 -11.949 7.056 -21.399 1.00 0.00 N ATOM 0 H ARG B 106 -10.096 8.675 -15.819 1.00 0.00 H new ATOM 0 HA ARG B 106 -8.324 11.082 -15.945 1.00 0.00 H new ATOM 0 HB2 ARG B 106 -8.150 10.566 -18.311 1.00 0.00 H new ATOM 0 HB3 ARG B 106 -7.882 9.070 -17.438 1.00 0.00 H new ATOM 0 HG2 ARG B 106 -10.593 8.920 -17.685 1.00 0.00 H new ATOM 0 HG3 ARG B 106 -10.255 9.905 -19.094 1.00 0.00 H new ATOM 0 HD2 ARG B 106 -8.704 8.237 -19.990 1.00 0.00 H new ATOM 0 HD3 ARG B 106 -8.740 7.317 -18.498 1.00 0.00 H new ATOM 0 HE ARG B 106 -11.170 6.762 -18.987 1.00 0.00 H new ATOM 0 HH11 ARG B 106 -8.766 6.989 -21.388 1.00 0.00 H new ATOM 0 HH12 ARG B 106 -9.881 6.883 -22.754 1.00 0.00 H new ATOM 0 HH21 ARG B 106 -12.740 7.135 -20.760 1.00 0.00 H new ATOM 0 HH22 ARG B 106 -12.110 6.965 -22.402 1.00 0.00 H new ATOM 425 N THR B 107 -11.454 11.131 -16.118 1.00 0.00 N ATOM 426 CA THR B 107 -12.650 11.972 -16.393 1.00 0.00 C ATOM 427 C THR B 107 -13.425 12.195 -15.092 1.00 0.00 C ATOM 428 O THR B 107 -12.978 11.835 -14.021 1.00 0.00 O ATOM 429 CB THR B 107 -13.552 11.265 -17.407 1.00 0.00 C ATOM 430 OG1 THR B 107 -13.161 9.903 -17.513 1.00 0.00 O ATOM 431 CG2 THR B 107 -13.419 11.944 -18.771 1.00 0.00 C ATOM 0 H THR B 107 -11.604 10.367 -15.459 1.00 0.00 H new ATOM 0 HA THR B 107 -12.332 12.933 -16.798 1.00 0.00 H new ATOM 0 HB THR B 107 -14.589 11.322 -17.076 1.00 0.00 H new ATOM 0 HG1 THR B 107 -13.804 9.340 -17.034 1.00 0.00 H new ATOM 0 HG21 THR B 107 -14.062 11.440 -19.493 1.00 0.00 H new ATOM 0 HG22 THR B 107 -13.717 12.989 -18.688 1.00 0.00 H new ATOM 0 HG23 THR B 107 -12.383 11.888 -19.106 1.00 0.00 H new ATOM 439 N GLU B 108 -14.585 12.786 -15.177 1.00 0.00 N ATOM 440 CA GLU B 108 -15.389 13.035 -13.946 1.00 0.00 C ATOM 441 C GLU B 108 -16.372 11.882 -13.725 1.00 0.00 C ATOM 442 O GLU B 108 -17.341 12.011 -13.003 1.00 0.00 O ATOM 443 CB GLU B 108 -16.163 14.344 -14.106 1.00 0.00 C ATOM 444 CG GLU B 108 -15.267 15.518 -13.706 1.00 0.00 C ATOM 445 CD GLU B 108 -15.651 15.997 -12.306 1.00 0.00 C ATOM 446 OE1 GLU B 108 -15.976 15.158 -11.482 1.00 0.00 O ATOM 447 OE2 GLU B 108 -15.614 17.196 -12.080 1.00 0.00 O ATOM 0 H GLU B 108 -15.012 13.108 -16.046 1.00 0.00 H new ATOM 0 HA GLU B 108 -14.723 13.105 -13.086 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -16.493 14.460 -15.138 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -17.058 14.328 -13.485 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -14.221 15.213 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -15.374 16.332 -14.423 1.00 0.00 H new ATOM 454 N ASP B 109 -16.132 10.753 -14.335 1.00 0.00 N ATOM 455 CA ASP B 109 -17.055 9.597 -14.152 1.00 0.00 C ATOM 456 C ASP B 109 -16.259 8.378 -13.683 1.00 0.00 C ATOM 457 O ASP B 109 -16.690 7.636 -12.823 1.00 0.00 O ATOM 458 CB ASP B 109 -17.746 9.273 -15.478 1.00 0.00 C ATOM 459 CG ASP B 109 -19.106 9.972 -15.532 1.00 0.00 C ATOM 460 OD1 ASP B 109 -19.822 9.909 -14.546 1.00 0.00 O ATOM 461 OD2 ASP B 109 -19.409 10.557 -16.559 1.00 0.00 O ATOM 0 H ASP B 109 -15.338 10.581 -14.951 1.00 0.00 H new ATOM 0 HA ASP B 109 -17.807 9.852 -13.405 1.00 0.00 H new ATOM 0 HB2 ASP B 109 -17.125 9.599 -16.312 1.00 0.00 H new ATOM 0 HB3 ASP B 109 -17.875 8.195 -15.579 1.00 0.00 H new ATOM 466 N ASP B 110 -15.099 8.166 -14.242 1.00 0.00 N ATOM 467 CA ASP B 110 -14.278 6.994 -13.829 1.00 0.00 C ATOM 468 C ASP B 110 -13.915 7.127 -12.348 1.00 0.00 C ATOM 469 O ASP B 110 -14.151 8.147 -11.732 1.00 0.00 O ATOM 470 CB ASP B 110 -12.997 6.947 -14.666 1.00 0.00 C ATOM 471 CG ASP B 110 -13.358 6.883 -16.152 1.00 0.00 C ATOM 472 OD1 ASP B 110 -14.351 7.484 -16.528 1.00 0.00 O ATOM 473 OD2 ASP B 110 -12.634 6.234 -16.888 1.00 0.00 O ATOM 0 H ASP B 110 -14.685 8.753 -14.966 1.00 0.00 H new ATOM 0 HA ASP B 110 -14.846 6.077 -13.985 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -12.388 7.829 -14.467 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -12.401 6.078 -14.388 1.00 0.00 H new ATOM 478 N LEU B 111 -13.342 6.106 -11.772 1.00 0.00 N ATOM 479 CA LEU B 111 -12.967 6.180 -10.332 1.00 0.00 C ATOM 480 C LEU B 111 -11.453 6.024 -10.187 1.00 0.00 C ATOM 481 O LEU B 111 -10.768 5.634 -11.111 1.00 0.00 O ATOM 482 CB LEU B 111 -13.668 5.060 -9.561 1.00 0.00 C ATOM 483 CG LEU B 111 -15.180 5.156 -9.773 1.00 0.00 C ATOM 484 CD1 LEU B 111 -15.798 3.760 -9.672 1.00 0.00 C ATOM 485 CD2 LEU B 111 -15.786 6.061 -8.699 1.00 0.00 C ATOM 0 H LEU B 111 -13.118 5.225 -12.235 1.00 0.00 H new ATOM 0 HA LEU B 111 -13.273 7.146 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -13.305 4.090 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -13.434 5.135 -8.499 1.00 0.00 H new ATOM 0 HG LEU B 111 -15.385 5.573 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -16.875 3.827 -9.823 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -15.364 3.114 -10.435 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -15.595 3.343 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -16.864 6.131 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -15.582 5.643 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -15.345 7.055 -8.769 1.00 0.00 H new ATOM 497 N SER B 112 -10.926 6.318 -9.030 1.00 0.00 N ATOM 498 CA SER B 112 -9.457 6.183 -8.819 1.00 0.00 C ATOM 499 C SER B 112 -9.206 5.304 -7.593 1.00 0.00 C ATOM 500 O SER B 112 -9.793 5.500 -6.549 1.00 0.00 O ATOM 501 CB SER B 112 -8.842 7.564 -8.591 1.00 0.00 C ATOM 502 OG SER B 112 -9.744 8.360 -7.832 1.00 0.00 O ATOM 0 H SER B 112 -11.451 6.647 -8.220 1.00 0.00 H new ATOM 0 HA SER B 112 -9.001 5.728 -9.698 1.00 0.00 H new ATOM 0 HB2 SER B 112 -7.892 7.469 -8.066 1.00 0.00 H new ATOM 0 HB3 SER B 112 -8.631 8.044 -9.547 1.00 0.00 H new ATOM 0 HG SER B 112 -9.352 9.246 -7.682 1.00 0.00 H new ATOM 508 N PHE B 113 -8.344 4.330 -7.710 1.00 0.00 N ATOM 509 CA PHE B 113 -8.071 3.442 -6.546 1.00 0.00 C ATOM 510 C PHE B 113 -6.769 2.672 -6.771 1.00 0.00 C ATOM 511 O PHE B 113 -6.023 2.945 -7.689 1.00 0.00 O ATOM 512 CB PHE B 113 -9.222 2.450 -6.391 1.00 0.00 C ATOM 513 CG PHE B 113 -9.460 1.751 -7.710 1.00 0.00 C ATOM 514 CD1 PHE B 113 -10.123 2.420 -8.746 1.00 0.00 C ATOM 515 CD2 PHE B 113 -9.019 0.436 -7.894 1.00 0.00 C ATOM 516 CE1 PHE B 113 -10.346 1.772 -9.967 1.00 0.00 C ATOM 517 CE2 PHE B 113 -9.242 -0.211 -9.117 1.00 0.00 C ATOM 518 CZ PHE B 113 -9.905 0.456 -10.152 1.00 0.00 C ATOM 0 H PHE B 113 -7.820 4.112 -8.557 1.00 0.00 H new ATOM 0 HA PHE B 113 -7.978 4.048 -5.645 1.00 0.00 H new ATOM 0 HB2 PHE B 113 -8.986 1.720 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE B 113 -10.126 2.970 -6.074 1.00 0.00 H new ATOM 0 HD1 PHE B 113 -10.462 3.435 -8.603 1.00 0.00 H new ATOM 0 HD2 PHE B 113 -8.507 -0.080 -7.095 1.00 0.00 H new ATOM 0 HE1 PHE B 113 -10.858 2.287 -10.766 1.00 0.00 H new ATOM 0 HE2 PHE B 113 -8.901 -1.226 -9.260 1.00 0.00 H new ATOM 0 HZ PHE B 113 -10.077 -0.044 -11.094 1.00 0.00 H new ATOM 528 N HIS B 114 -6.496 1.708 -5.934 1.00 0.00 N ATOM 529 CA HIS B 114 -5.246 0.914 -6.092 1.00 0.00 C ATOM 530 C HIS B 114 -5.532 -0.556 -5.771 1.00 0.00 C ATOM 531 O HIS B 114 -6.592 -0.904 -5.288 1.00 0.00 O ATOM 532 CB HIS B 114 -4.180 1.450 -5.135 1.00 0.00 C ATOM 533 CG HIS B 114 -3.091 2.123 -5.925 1.00 0.00 C ATOM 534 ND1 HIS B 114 -1.765 1.728 -5.841 1.00 0.00 N ATOM 535 CD2 HIS B 114 -3.116 3.166 -6.817 1.00 0.00 C ATOM 536 CE1 HIS B 114 -1.053 2.521 -6.663 1.00 0.00 C ATOM 537 NE2 HIS B 114 -1.829 3.415 -7.283 1.00 0.00 N ATOM 0 H HIS B 114 -7.086 1.436 -5.147 1.00 0.00 H new ATOM 0 HA HIS B 114 -4.887 0.997 -7.118 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -4.626 2.157 -4.435 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -3.764 0.635 -4.543 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -4.001 3.711 -7.112 1.00 0.00 H new ATOM 0 HE1 HIS B 114 0.015 2.444 -6.804 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -1.540 4.127 -7.954 1.00 0.00 H new ATOM 545 N LYS B 115 -4.593 -1.423 -6.040 1.00 0.00 N ATOM 546 CA LYS B 115 -4.810 -2.869 -5.758 1.00 0.00 C ATOM 547 C LYS B 115 -5.061 -3.072 -4.261 1.00 0.00 C ATOM 548 O LYS B 115 -4.218 -2.784 -3.435 1.00 0.00 O ATOM 549 CB LYS B 115 -3.569 -3.661 -6.179 1.00 0.00 C ATOM 550 CG LYS B 115 -2.431 -3.389 -5.195 1.00 0.00 C ATOM 551 CD LYS B 115 -1.098 -3.776 -5.838 1.00 0.00 C ATOM 552 CE LYS B 115 -0.090 -2.641 -5.648 1.00 0.00 C ATOM 553 NZ LYS B 115 -0.448 -1.506 -6.546 1.00 0.00 N ATOM 0 H LYS B 115 -3.685 -1.191 -6.443 1.00 0.00 H new ATOM 0 HA LYS B 115 -5.676 -3.220 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS B 115 -3.796 -4.727 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS B 115 -3.268 -3.376 -7.187 1.00 0.00 H new ATOM 0 HG2 LYS B 115 -2.420 -2.335 -4.917 1.00 0.00 H new ATOM 0 HG3 LYS B 115 -2.584 -3.959 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS B 115 -0.718 -4.693 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS B 115 -1.239 -3.977 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS B 115 -0.089 -2.311 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS B 115 0.917 -2.993 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 115 0.356 -0.849 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 115 -0.676 -1.871 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 115 -1.273 -1.005 -6.160 1.00 0.00 H new ATOM 567 N GLY B 116 -6.215 -3.571 -3.906 1.00 0.00 N ATOM 568 CA GLY B 116 -6.520 -3.797 -2.465 1.00 0.00 C ATOM 569 C GLY B 116 -7.676 -2.892 -2.030 1.00 0.00 C ATOM 570 O GLY B 116 -8.053 -2.865 -0.876 1.00 0.00 O ATOM 0 H GLY B 116 -6.959 -3.832 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY B 116 -6.782 -4.842 -2.299 1.00 0.00 H new ATOM 0 HA3 GLY B 116 -5.637 -3.590 -1.860 1.00 0.00 H new ATOM 574 N GLU B 117 -8.238 -2.149 -2.944 1.00 0.00 N ATOM 575 CA GLU B 117 -9.367 -1.244 -2.581 1.00 0.00 C ATOM 576 C GLU B 117 -10.681 -2.033 -2.558 1.00 0.00 C ATOM 577 O GLU B 117 -10.894 -2.924 -3.355 1.00 0.00 O ATOM 578 CB GLU B 117 -9.468 -0.122 -3.618 1.00 0.00 C ATOM 579 CG GLU B 117 -8.934 1.181 -3.019 1.00 0.00 C ATOM 580 CD GLU B 117 -10.090 2.163 -2.816 1.00 0.00 C ATOM 581 OE1 GLU B 117 -11.133 1.733 -2.353 1.00 0.00 O ATOM 582 OE2 GLU B 117 -9.911 3.329 -3.130 1.00 0.00 O ATOM 0 H GLU B 117 -7.965 -2.129 -3.926 1.00 0.00 H new ATOM 0 HA GLU B 117 -9.186 -0.820 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -8.898 -0.385 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -10.505 0.007 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -8.442 0.981 -2.067 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.185 1.617 -3.680 1.00 0.00 H new ATOM 589 N LYS B 118 -11.566 -1.706 -1.653 1.00 0.00 N ATOM 590 CA LYS B 118 -12.869 -2.429 -1.584 1.00 0.00 C ATOM 591 C LYS B 118 -13.905 -1.669 -2.412 1.00 0.00 C ATOM 592 O LYS B 118 -14.235 -0.537 -2.118 1.00 0.00 O ATOM 593 CB LYS B 118 -13.334 -2.509 -0.129 1.00 0.00 C ATOM 594 CG LYS B 118 -12.118 -2.665 0.784 1.00 0.00 C ATOM 595 CD LYS B 118 -11.255 -3.827 0.287 1.00 0.00 C ATOM 596 CE LYS B 118 -10.620 -4.536 1.483 1.00 0.00 C ATOM 597 NZ LYS B 118 -10.546 -5.999 1.211 1.00 0.00 N ATOM 0 H LYS B 118 -11.442 -0.969 -0.959 1.00 0.00 H new ATOM 0 HA LYS B 118 -12.751 -3.438 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -13.889 -1.610 0.137 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -14.012 -3.353 0.002 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -11.536 -1.743 0.794 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -12.440 -2.849 1.809 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -11.864 -4.528 -0.284 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -10.480 -3.457 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -9.622 -4.139 1.667 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -11.207 -4.352 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -10.114 -6.482 2.024 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -11.504 -6.372 1.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -9.968 -6.166 0.363 1.00 0.00 H new ATOM 611 N PHE B 119 -14.410 -2.272 -3.452 1.00 0.00 N ATOM 612 CA PHE B 119 -15.411 -1.571 -4.306 1.00 0.00 C ATOM 613 C PHE B 119 -16.786 -2.225 -4.157 1.00 0.00 C ATOM 614 O PHE B 119 -16.902 -3.406 -3.897 1.00 0.00 O ATOM 615 CB PHE B 119 -14.975 -1.662 -5.770 1.00 0.00 C ATOM 616 CG PHE B 119 -14.034 -0.527 -6.105 1.00 0.00 C ATOM 617 CD1 PHE B 119 -13.411 0.202 -5.084 1.00 0.00 C ATOM 618 CD2 PHE B 119 -13.785 -0.205 -7.445 1.00 0.00 C ATOM 619 CE1 PHE B 119 -12.541 1.248 -5.401 1.00 0.00 C ATOM 620 CE2 PHE B 119 -12.915 0.842 -7.761 1.00 0.00 C ATOM 621 CZ PHE B 119 -12.292 1.568 -6.740 1.00 0.00 C ATOM 0 H PHE B 119 -14.174 -3.219 -3.748 1.00 0.00 H new ATOM 0 HA PHE B 119 -15.474 -0.529 -3.994 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -14.483 -2.618 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -15.849 -1.624 -6.421 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -13.603 -0.045 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -14.265 -0.765 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -12.061 1.809 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -12.723 1.091 -8.794 1.00 0.00 H new ATOM 0 HZ PHE B 119 -11.619 2.376 -6.986 1.00 0.00 H new ATOM 631 N GLN B 120 -17.830 -1.462 -4.341 1.00 0.00 N ATOM 632 CA GLN B 120 -19.202 -2.030 -4.234 1.00 0.00 C ATOM 633 C GLN B 120 -19.818 -2.091 -5.633 1.00 0.00 C ATOM 634 O GLN B 120 -20.354 -1.120 -6.128 1.00 0.00 O ATOM 635 CB GLN B 120 -20.062 -1.137 -3.336 1.00 0.00 C ATOM 636 CG GLN B 120 -19.887 -1.560 -1.876 1.00 0.00 C ATOM 637 CD GLN B 120 -21.260 -1.715 -1.219 1.00 0.00 C ATOM 638 OE1 GLN B 120 -21.848 -0.747 -0.778 1.00 0.00 O ATOM 639 NE2 GLN B 120 -21.801 -2.900 -1.132 1.00 0.00 N ATOM 0 H GLN B 120 -17.790 -0.467 -4.561 1.00 0.00 H new ATOM 0 HA GLN B 120 -19.156 -3.030 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN B 120 -19.774 -0.093 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN B 120 -21.110 -1.215 -3.625 1.00 0.00 H new ATOM 0 HG2 GLN B 120 -19.339 -2.501 -1.822 1.00 0.00 H new ATOM 0 HG3 GLN B 120 -19.298 -0.816 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN B 120 -21.309 -3.714 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN B 120 -22.716 -3.012 -0.695 1.00 0.00 H new ATOM 648 N ILE B 121 -19.734 -3.219 -6.281 1.00 0.00 N ATOM 649 CA ILE B 121 -20.303 -3.334 -7.653 1.00 0.00 C ATOM 650 C ILE B 121 -21.832 -3.350 -7.582 1.00 0.00 C ATOM 651 O ILE B 121 -22.423 -4.137 -6.871 1.00 0.00 O ATOM 652 CB ILE B 121 -19.809 -4.627 -8.303 1.00 0.00 C ATOM 653 CG1 ILE B 121 -18.293 -4.551 -8.495 1.00 0.00 C ATOM 654 CG2 ILE B 121 -20.489 -4.806 -9.661 1.00 0.00 C ATOM 655 CD1 ILE B 121 -17.928 -3.230 -9.173 1.00 0.00 C ATOM 0 H ILE B 121 -19.296 -4.066 -5.920 1.00 0.00 H new ATOM 0 HA ILE B 121 -19.981 -2.480 -8.248 1.00 0.00 H new ATOM 0 HB ILE B 121 -20.052 -5.475 -7.662 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -17.790 -4.628 -7.531 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -17.950 -5.390 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -20.138 -5.727 -10.125 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -21.569 -4.858 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -20.246 -3.960 -10.304 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -16.848 -3.177 -9.309 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -18.419 -3.172 -10.144 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -18.256 -2.398 -8.550 1.00 0.00 H new ATOM 667 N LEU B 122 -22.473 -2.487 -8.321 1.00 0.00 N ATOM 668 CA LEU B 122 -23.964 -2.451 -8.307 1.00 0.00 C ATOM 669 C LEU B 122 -24.486 -3.007 -9.631 1.00 0.00 C ATOM 670 O LEU B 122 -25.346 -3.865 -9.664 1.00 0.00 O ATOM 671 CB LEU B 122 -24.451 -1.006 -8.135 1.00 0.00 C ATOM 672 CG LEU B 122 -23.380 -0.175 -7.424 1.00 0.00 C ATOM 673 CD1 LEU B 122 -23.772 1.302 -7.458 1.00 0.00 C ATOM 674 CD2 LEU B 122 -23.261 -0.635 -5.969 1.00 0.00 C ATOM 0 H LEU B 122 -22.029 -1.804 -8.935 1.00 0.00 H new ATOM 0 HA LEU B 122 -24.334 -3.053 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -24.674 -0.570 -9.109 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -25.376 -0.991 -7.559 1.00 0.00 H new ATOM 0 HG LEU B 122 -22.423 -0.309 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -23.009 1.893 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -23.858 1.632 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -24.729 1.436 -6.953 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -22.499 -0.044 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -24.218 -0.501 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -22.981 -1.688 -5.942 1.00 0.00 H new ATOM 686 N ASN B 123 -23.967 -2.521 -10.723 1.00 0.00 N ATOM 687 CA ASN B 123 -24.419 -3.016 -12.054 1.00 0.00 C ATOM 688 C ASN B 123 -23.214 -3.546 -12.836 1.00 0.00 C ATOM 689 O ASN B 123 -22.382 -2.791 -13.300 1.00 0.00 O ATOM 690 CB ASN B 123 -25.063 -1.868 -12.835 1.00 0.00 C ATOM 691 CG ASN B 123 -26.403 -2.331 -13.411 1.00 0.00 C ATOM 692 OD1 ASN B 123 -26.461 -2.838 -14.514 1.00 0.00 O ATOM 693 ND2 ASN B 123 -27.490 -2.175 -12.707 1.00 0.00 N ATOM 0 H ASN B 123 -23.247 -1.800 -10.752 1.00 0.00 H new ATOM 0 HA ASN B 123 -25.146 -3.816 -11.915 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -25.213 -1.009 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -24.402 -1.545 -13.639 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -28.389 -2.479 -13.082 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -27.441 -1.750 -11.781 1.00 0.00 H new ATOM 700 N SER B 124 -23.116 -4.837 -12.987 1.00 0.00 N ATOM 701 CA SER B 124 -21.969 -5.417 -13.740 1.00 0.00 C ATOM 702 C SER B 124 -22.493 -6.471 -14.718 1.00 0.00 C ATOM 703 O SER B 124 -22.243 -7.650 -14.566 1.00 0.00 O ATOM 704 CB SER B 124 -20.993 -6.070 -12.760 1.00 0.00 C ATOM 705 OG SER B 124 -21.725 -6.732 -11.736 1.00 0.00 O ATOM 0 H SER B 124 -23.782 -5.517 -12.621 1.00 0.00 H new ATOM 0 HA SER B 124 -21.455 -4.629 -14.290 1.00 0.00 H new ATOM 0 HB2 SER B 124 -20.355 -6.781 -13.284 1.00 0.00 H new ATOM 0 HB3 SER B 124 -20.338 -5.315 -12.324 1.00 0.00 H new ATOM 0 HG SER B 124 -21.153 -7.401 -11.305 1.00 0.00 H new ATOM 744 N ASP B 128 -18.175 -3.959 -20.793 1.00 0.00 N ATOM 745 CA ASP B 128 -17.009 -4.610 -20.134 1.00 0.00 C ATOM 746 C ASP B 128 -16.703 -3.885 -18.821 1.00 0.00 C ATOM 747 O ASP B 128 -16.067 -4.422 -17.937 1.00 0.00 O ATOM 748 CB ASP B 128 -15.791 -4.530 -21.058 1.00 0.00 C ATOM 749 CG ASP B 128 -15.395 -5.940 -21.504 1.00 0.00 C ATOM 750 OD1 ASP B 128 -15.692 -6.875 -20.780 1.00 0.00 O ATOM 751 OD2 ASP B 128 -14.800 -6.060 -22.563 1.00 0.00 O ATOM 0 HA ASP B 128 -17.240 -5.655 -19.930 1.00 0.00 H new ATOM 0 HB2 ASP B 128 -16.020 -3.913 -21.927 1.00 0.00 H new ATOM 0 HB3 ASP B 128 -14.959 -4.054 -20.540 1.00 0.00 H new ATOM 756 N TRP B 129 -17.157 -2.668 -18.686 1.00 0.00 N ATOM 757 CA TRP B 129 -16.896 -1.908 -17.431 1.00 0.00 C ATOM 758 C TRP B 129 -18.163 -1.906 -16.569 1.00 0.00 C ATOM 759 O TRP B 129 -19.265 -1.817 -17.073 1.00 0.00 O ATOM 760 CB TRP B 129 -16.519 -0.466 -17.777 1.00 0.00 C ATOM 761 CG TRP B 129 -15.142 -0.429 -18.360 1.00 0.00 C ATOM 762 CD1 TRP B 129 -14.699 -1.213 -19.371 1.00 0.00 C ATOM 763 CD2 TRP B 129 -14.022 0.424 -17.985 1.00 0.00 C ATOM 764 NE1 TRP B 129 -13.381 -0.894 -19.640 1.00 0.00 N ATOM 765 CE2 TRP B 129 -12.918 0.109 -18.812 1.00 0.00 C ATOM 766 CE3 TRP B 129 -13.859 1.433 -17.017 1.00 0.00 C ATOM 767 CZ2 TRP B 129 -11.695 0.770 -18.683 1.00 0.00 C ATOM 768 CZ3 TRP B 129 -12.629 2.100 -16.885 1.00 0.00 C ATOM 769 CH2 TRP B 129 -11.551 1.769 -17.716 1.00 0.00 C ATOM 0 H TRP B 129 -17.698 -2.168 -19.391 1.00 0.00 H new ATOM 0 HA TRP B 129 -16.078 -2.377 -16.884 1.00 0.00 H new ATOM 0 HB2 TRP B 129 -17.236 -0.053 -18.487 1.00 0.00 H new ATOM 0 HB3 TRP B 129 -16.562 0.156 -16.883 1.00 0.00 H new ATOM 0 HD1 TRP B 129 -15.280 -1.965 -19.884 1.00 0.00 H new ATOM 0 HE1 TRP B 129 -12.819 -1.345 -20.362 1.00 0.00 H new ATOM 0 HE3 TRP B 129 -14.684 1.696 -16.372 1.00 0.00 H new ATOM 0 HZ2 TRP B 129 -10.866 0.511 -19.326 1.00 0.00 H new ATOM 0 HZ3 TRP B 129 -12.514 2.872 -16.139 1.00 0.00 H new ATOM 0 HH2 TRP B 129 -10.609 2.286 -17.610 1.00 0.00 H new ATOM 780 N TRP B 130 -18.018 -2.000 -15.274 1.00 0.00 N ATOM 781 CA TRP B 130 -19.222 -2.000 -14.393 1.00 0.00 C ATOM 782 C TRP B 130 -19.269 -0.704 -13.582 1.00 0.00 C ATOM 783 O TRP B 130 -18.400 0.139 -13.683 1.00 0.00 O ATOM 784 CB TRP B 130 -19.155 -3.182 -13.423 1.00 0.00 C ATOM 785 CG TRP B 130 -18.863 -4.442 -14.171 1.00 0.00 C ATOM 786 CD1 TRP B 130 -19.079 -4.633 -15.491 1.00 0.00 C ATOM 787 CD2 TRP B 130 -18.311 -5.689 -13.660 1.00 0.00 C ATOM 788 NE1 TRP B 130 -18.690 -5.918 -15.826 1.00 0.00 N ATOM 789 CE2 TRP B 130 -18.210 -6.608 -14.730 1.00 0.00 C ATOM 790 CE3 TRP B 130 -17.892 -6.104 -12.384 1.00 0.00 C ATOM 791 CZ2 TRP B 130 -17.709 -7.897 -14.541 1.00 0.00 C ATOM 792 CZ3 TRP B 130 -17.387 -7.400 -12.190 1.00 0.00 C ATOM 793 CH2 TRP B 130 -17.297 -8.294 -13.265 1.00 0.00 C ATOM 0 H TRP B 130 -17.123 -2.076 -14.790 1.00 0.00 H new ATOM 0 HA TRP B 130 -20.113 -2.081 -15.016 1.00 0.00 H new ATOM 0 HB2 TRP B 130 -18.382 -3.006 -12.675 1.00 0.00 H new ATOM 0 HB3 TRP B 130 -20.100 -3.278 -12.888 1.00 0.00 H new ATOM 0 HD1 TRP B 130 -19.488 -3.902 -16.173 1.00 0.00 H new ATOM 0 HE1 TRP B 130 -18.750 -6.308 -16.767 1.00 0.00 H new ATOM 0 HE3 TRP B 130 -17.959 -5.423 -11.549 1.00 0.00 H new ATOM 0 HZ2 TRP B 130 -17.640 -8.582 -15.373 1.00 0.00 H new ATOM 0 HZ3 TRP B 130 -17.066 -7.709 -11.206 1.00 0.00 H new ATOM 0 HH2 TRP B 130 -16.909 -9.290 -13.108 1.00 0.00 H new ATOM 804 N GLU B 131 -20.276 -0.550 -12.765 1.00 0.00 N ATOM 805 CA GLU B 131 -20.384 0.676 -11.925 1.00 0.00 C ATOM 806 C GLU B 131 -20.038 0.310 -10.481 1.00 0.00 C ATOM 807 O GLU B 131 -20.769 -0.401 -9.820 1.00 0.00 O ATOM 808 CB GLU B 131 -21.816 1.221 -11.987 1.00 0.00 C ATOM 809 CG GLU B 131 -22.431 0.903 -13.351 1.00 0.00 C ATOM 810 CD GLU B 131 -23.814 1.548 -13.448 1.00 0.00 C ATOM 811 OE1 GLU B 131 -24.022 2.559 -12.799 1.00 0.00 O ATOM 812 OE2 GLU B 131 -24.644 1.019 -14.170 1.00 0.00 O ATOM 0 H GLU B 131 -21.032 -1.224 -12.643 1.00 0.00 H new ATOM 0 HA GLU B 131 -19.698 1.439 -12.292 1.00 0.00 H new ATOM 0 HB2 GLU B 131 -22.418 0.778 -11.194 1.00 0.00 H new ATOM 0 HB3 GLU B 131 -21.813 2.298 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU B 131 -21.787 1.275 -14.148 1.00 0.00 H new ATOM 0 HG3 GLU B 131 -22.511 -0.176 -13.484 1.00 0.00 H new ATOM 819 N ALA B 132 -18.923 0.772 -9.989 1.00 0.00 N ATOM 820 CA ALA B 132 -18.530 0.428 -8.593 1.00 0.00 C ATOM 821 C ALA B 132 -18.546 1.682 -7.718 1.00 0.00 C ATOM 822 O ALA B 132 -18.352 2.786 -8.187 1.00 0.00 O ATOM 823 CB ALA B 132 -17.123 -0.172 -8.595 1.00 0.00 C ATOM 0 H ALA B 132 -18.268 1.371 -10.491 1.00 0.00 H new ATOM 0 HA ALA B 132 -19.239 -0.296 -8.191 1.00 0.00 H new ATOM 0 HB1 ALA B 132 -16.834 -0.424 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA B 132 -17.112 -1.073 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA B 132 -16.419 0.553 -9.003 1.00 0.00 H new ATOM 829 N ARG B 133 -18.771 1.514 -6.443 1.00 0.00 N ATOM 830 CA ARG B 133 -18.796 2.684 -5.525 1.00 0.00 C ATOM 831 C ARG B 133 -17.647 2.558 -4.520 1.00 0.00 C ATOM 832 O ARG B 133 -17.602 1.638 -3.728 1.00 0.00 O ATOM 833 CB ARG B 133 -20.129 2.712 -4.773 1.00 0.00 C ATOM 834 CG ARG B 133 -20.511 4.159 -4.460 1.00 0.00 C ATOM 835 CD ARG B 133 -21.862 4.183 -3.744 1.00 0.00 C ATOM 836 NE ARG B 133 -21.896 5.320 -2.782 1.00 0.00 N ATOM 837 CZ ARG B 133 -22.993 5.586 -2.128 1.00 0.00 C ATOM 838 NH1 ARG B 133 -23.256 4.960 -1.014 1.00 0.00 N ATOM 839 NH2 ARG B 133 -23.827 6.479 -2.587 1.00 0.00 N ATOM 0 H ARG B 133 -18.939 0.612 -5.998 1.00 0.00 H new ATOM 0 HA ARG B 133 -18.684 3.604 -6.099 1.00 0.00 H new ATOM 0 HB2 ARG B 133 -20.907 2.242 -5.374 1.00 0.00 H new ATOM 0 HB3 ARG B 133 -20.049 2.138 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG B 133 -19.747 4.621 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG B 133 -20.564 4.740 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG B 133 -22.668 4.283 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG B 133 -22.023 3.242 -3.217 1.00 0.00 H new ATOM 0 HE ARG B 133 -21.063 5.890 -2.635 1.00 0.00 H new ATOM 0 HH11 ARG B 133 -22.604 4.263 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG B 133 -24.114 5.168 -0.502 1.00 0.00 H new ATOM 0 HH21 ARG B 133 -23.621 6.969 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG B 133 -24.685 6.687 -2.075 1.00 0.00 H new ATOM 853 N SER B 134 -16.716 3.473 -4.549 1.00 0.00 N ATOM 854 CA SER B 134 -15.572 3.400 -3.597 1.00 0.00 C ATOM 855 C SER B 134 -16.102 3.386 -2.162 1.00 0.00 C ATOM 856 O SER B 134 -16.672 4.351 -1.692 1.00 0.00 O ATOM 857 CB SER B 134 -14.663 4.614 -3.794 1.00 0.00 C ATOM 858 OG SER B 134 -15.462 5.766 -4.026 1.00 0.00 O ATOM 0 H SER B 134 -16.698 4.266 -5.190 1.00 0.00 H new ATOM 0 HA SER B 134 -15.004 2.489 -3.783 1.00 0.00 H new ATOM 0 HB2 SER B 134 -14.038 4.762 -2.913 1.00 0.00 H new ATOM 0 HB3 SER B 134 -13.992 4.447 -4.636 1.00 0.00 H new ATOM 0 HG SER B 134 -15.884 5.699 -4.908 1.00 0.00 H new ATOM 864 N LEU B 135 -15.921 2.300 -1.463 1.00 0.00 N ATOM 865 CA LEU B 135 -16.418 2.225 -0.060 1.00 0.00 C ATOM 866 C LEU B 135 -15.567 3.131 0.832 1.00 0.00 C ATOM 867 O LEU B 135 -15.984 3.534 1.900 1.00 0.00 O ATOM 868 CB LEU B 135 -16.321 0.782 0.440 1.00 0.00 C ATOM 869 CG LEU B 135 -17.532 -0.013 -0.049 1.00 0.00 C ATOM 870 CD1 LEU B 135 -17.147 -1.484 -0.207 1.00 0.00 C ATOM 871 CD2 LEU B 135 -18.666 0.110 0.969 1.00 0.00 C ATOM 0 H LEU B 135 -15.450 1.461 -1.802 1.00 0.00 H new ATOM 0 HA LEU B 135 -17.457 2.553 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -15.401 0.322 0.078 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -16.278 0.766 1.529 1.00 0.00 H new ATOM 0 HG LEU B 135 -17.861 0.381 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -18.010 -2.051 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -16.338 -1.573 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -16.818 -1.879 0.754 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -19.530 -0.456 0.621 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -18.336 -0.284 1.930 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -18.941 1.159 1.082 1.00 0.00 H new ATOM 883 N THR B 136 -14.377 3.454 0.406 1.00 0.00 N ATOM 884 CA THR B 136 -13.503 4.332 1.233 1.00 0.00 C ATOM 885 C THR B 136 -13.896 5.793 1.018 1.00 0.00 C ATOM 886 O THR B 136 -14.274 6.488 1.940 1.00 0.00 O ATOM 887 CB THR B 136 -12.042 4.130 0.824 1.00 0.00 C ATOM 888 OG1 THR B 136 -11.740 2.741 0.823 1.00 0.00 O ATOM 889 CG2 THR B 136 -11.130 4.853 1.815 1.00 0.00 C ATOM 0 H THR B 136 -13.972 3.148 -0.479 1.00 0.00 H new ATOM 0 HA THR B 136 -13.624 4.076 2.285 1.00 0.00 H new ATOM 0 HB THR B 136 -11.883 4.536 -0.175 1.00 0.00 H new ATOM 0 HG1 THR B 136 -10.805 2.610 0.560 1.00 0.00 H new ATOM 0 HG21 THR B 136 -10.090 4.709 1.524 1.00 0.00 H new ATOM 0 HG22 THR B 136 -11.363 5.918 1.814 1.00 0.00 H new ATOM 0 HG23 THR B 136 -11.286 4.448 2.815 1.00 0.00 H new ATOM 897 N THR B 137 -13.810 6.267 -0.196 1.00 0.00 N ATOM 898 CA THR B 137 -14.179 7.683 -0.473 1.00 0.00 C ATOM 899 C THR B 137 -15.698 7.795 -0.607 1.00 0.00 C ATOM 900 O THR B 137 -16.324 8.649 -0.010 1.00 0.00 O ATOM 901 CB THR B 137 -13.515 8.136 -1.776 1.00 0.00 C ATOM 902 OG1 THR B 137 -13.147 6.994 -2.538 1.00 0.00 O ATOM 903 CG2 THR B 137 -12.268 8.963 -1.457 1.00 0.00 C ATOM 0 H THR B 137 -13.500 5.733 -1.008 1.00 0.00 H new ATOM 0 HA THR B 137 -13.839 8.316 0.347 1.00 0.00 H new ATOM 0 HB THR B 137 -14.214 8.746 -2.348 1.00 0.00 H new ATOM 0 HG1 THR B 137 -12.723 7.281 -3.374 1.00 0.00 H new ATOM 0 HG21 THR B 137 -11.797 9.284 -2.386 1.00 0.00 H new ATOM 0 HG22 THR B 137 -12.552 9.838 -0.872 1.00 0.00 H new ATOM 0 HG23 THR B 137 -11.566 8.357 -0.885 1.00 0.00 H new ATOM 911 N GLY B 138 -16.298 6.939 -1.388 1.00 0.00 N ATOM 912 CA GLY B 138 -17.776 6.995 -1.561 1.00 0.00 C ATOM 913 C GLY B 138 -18.110 7.497 -2.968 1.00 0.00 C ATOM 914 O GLY B 138 -19.255 7.521 -3.373 1.00 0.00 O ATOM 0 H GLY B 138 -15.827 6.203 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY B 138 -18.208 6.007 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY B 138 -18.215 7.657 -0.814 1.00 0.00 H new ATOM 918 N GLU B 139 -17.119 7.899 -3.717 1.00 0.00 N ATOM 919 CA GLU B 139 -17.382 8.398 -5.095 1.00 0.00 C ATOM 920 C GLU B 139 -17.845 7.237 -5.977 1.00 0.00 C ATOM 921 O GLU B 139 -17.206 6.206 -6.048 1.00 0.00 O ATOM 922 CB GLU B 139 -16.098 8.997 -5.675 1.00 0.00 C ATOM 923 CG GLU B 139 -16.249 10.514 -5.801 1.00 0.00 C ATOM 924 CD GLU B 139 -15.783 10.960 -7.188 1.00 0.00 C ATOM 925 OE1 GLU B 139 -14.880 10.334 -7.716 1.00 0.00 O ATOM 926 OE2 GLU B 139 -16.338 11.920 -7.698 1.00 0.00 O ATOM 0 H GLU B 139 -16.139 7.903 -3.433 1.00 0.00 H new ATOM 0 HA GLU B 139 -18.158 9.163 -5.062 1.00 0.00 H new ATOM 0 HB2 GLU B 139 -15.251 8.758 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -15.890 8.560 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -17.289 10.801 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -15.662 11.014 -5.030 1.00 0.00 H new ATOM 933 N THR B 140 -18.949 7.396 -6.655 1.00 0.00 N ATOM 934 CA THR B 140 -19.447 6.301 -7.534 1.00 0.00 C ATOM 935 C THR B 140 -18.963 6.543 -8.965 1.00 0.00 C ATOM 936 O THR B 140 -18.756 7.666 -9.377 1.00 0.00 O ATOM 937 CB THR B 140 -20.978 6.280 -7.511 1.00 0.00 C ATOM 938 OG1 THR B 140 -21.433 6.488 -6.181 1.00 0.00 O ATOM 939 CG2 THR B 140 -21.480 4.927 -8.018 1.00 0.00 C ATOM 0 H THR B 140 -19.527 8.236 -6.638 1.00 0.00 H new ATOM 0 HA THR B 140 -19.067 5.345 -7.175 1.00 0.00 H new ATOM 0 HB THR B 140 -21.362 7.071 -8.155 1.00 0.00 H new ATOM 0 HG1 THR B 140 -22.413 6.477 -6.165 1.00 0.00 H new ATOM 0 HG21 THR B 140 -22.570 4.914 -8.001 1.00 0.00 H new ATOM 0 HG22 THR B 140 -21.131 4.769 -9.038 1.00 0.00 H new ATOM 0 HG23 THR B 140 -21.097 4.133 -7.376 1.00 0.00 H new ATOM 947 N GLY B 141 -18.778 5.499 -9.725 1.00 0.00 N ATOM 948 CA GLY B 141 -18.306 5.676 -11.128 1.00 0.00 C ATOM 949 C GLY B 141 -18.224 4.313 -11.816 1.00 0.00 C ATOM 950 O GLY B 141 -18.886 3.370 -11.429 1.00 0.00 O ATOM 0 H GLY B 141 -18.933 4.533 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY B 141 -18.988 6.329 -11.672 1.00 0.00 H new ATOM 0 HA3 GLY B 141 -17.328 6.158 -11.136 1.00 0.00 H new ATOM 954 N TYR B 142 -17.415 4.201 -12.832 1.00 0.00 N ATOM 955 CA TYR B 142 -17.289 2.898 -13.544 1.00 0.00 C ATOM 956 C TYR B 142 -15.814 2.497 -13.617 1.00 0.00 C ATOM 957 O TYR B 142 -14.938 3.332 -13.726 1.00 0.00 O ATOM 958 CB TYR B 142 -17.852 3.034 -14.959 1.00 0.00 C ATOM 959 CG TYR B 142 -19.228 3.652 -14.891 1.00 0.00 C ATOM 960 CD1 TYR B 142 -19.375 4.987 -14.496 1.00 0.00 C ATOM 961 CD2 TYR B 142 -20.354 2.890 -15.221 1.00 0.00 C ATOM 962 CE1 TYR B 142 -20.649 5.560 -14.430 1.00 0.00 C ATOM 963 CE2 TYR B 142 -21.629 3.463 -15.156 1.00 0.00 C ATOM 964 CZ TYR B 142 -21.777 4.798 -14.760 1.00 0.00 C ATOM 965 OH TYR B 142 -23.034 5.363 -14.694 1.00 0.00 O ATOM 0 H TYR B 142 -16.835 4.955 -13.201 1.00 0.00 H new ATOM 0 HA TYR B 142 -17.847 2.133 -13.004 1.00 0.00 H new ATOM 0 HB2 TYR B 142 -17.192 3.653 -15.567 1.00 0.00 H new ATOM 0 HB3 TYR B 142 -17.903 2.056 -15.438 1.00 0.00 H new ATOM 0 HD1 TYR B 142 -18.505 5.574 -14.242 1.00 0.00 H new ATOM 0 HD2 TYR B 142 -20.239 1.860 -15.526 1.00 0.00 H new ATOM 0 HE1 TYR B 142 -20.763 6.590 -14.125 1.00 0.00 H new ATOM 0 HE2 TYR B 142 -22.499 2.876 -15.411 1.00 0.00 H new ATOM 0 HH TYR B 142 -23.705 4.699 -14.956 1.00 0.00 H new ATOM 975 N ILE B 143 -15.534 1.224 -13.558 1.00 0.00 N ATOM 976 CA ILE B 143 -14.117 0.769 -13.625 1.00 0.00 C ATOM 977 C ILE B 143 -14.033 -0.506 -14.466 1.00 0.00 C ATOM 978 O ILE B 143 -15.032 -1.157 -14.699 1.00 0.00 O ATOM 979 CB ILE B 143 -13.609 0.478 -12.210 1.00 0.00 C ATOM 980 CG1 ILE B 143 -14.619 -0.410 -11.481 1.00 0.00 C ATOM 981 CG2 ILE B 143 -13.449 1.795 -11.450 1.00 0.00 C ATOM 982 CD1 ILE B 143 -13.945 -1.718 -11.064 1.00 0.00 C ATOM 0 H ILE B 143 -16.225 0.480 -13.466 1.00 0.00 H new ATOM 0 HA ILE B 143 -13.505 1.548 -14.080 1.00 0.00 H new ATOM 0 HB ILE B 143 -12.647 -0.032 -12.264 1.00 0.00 H new ATOM 0 HG12 ILE B 143 -15.006 0.107 -10.603 1.00 0.00 H new ATOM 0 HG13 ILE B 143 -15.470 -0.618 -12.129 1.00 0.00 H new ATOM 0 HG21 ILE B 143 -13.087 1.592 -10.442 1.00 0.00 H new ATOM 0 HG22 ILE B 143 -12.733 2.431 -11.971 1.00 0.00 H new ATOM 0 HG23 ILE B 143 -14.412 2.302 -11.395 1.00 0.00 H new ATOM 0 HD11 ILE B 143 -14.666 -2.349 -10.545 1.00 0.00 H new ATOM 0 HD12 ILE B 143 -13.579 -2.237 -11.950 1.00 0.00 H new ATOM 0 HD13 ILE B 143 -13.109 -1.501 -10.400 1.00 0.00 H new ATOM 994 N PRO B 144 -12.838 -0.829 -14.889 1.00 0.00 N ATOM 995 CA PRO B 144 -12.594 -2.033 -15.703 1.00 0.00 C ATOM 996 C PRO B 144 -13.108 -3.274 -14.969 1.00 0.00 C ATOM 997 O PRO B 144 -12.799 -3.495 -13.814 1.00 0.00 O ATOM 998 CB PRO B 144 -11.068 -2.092 -15.862 1.00 0.00 C ATOM 999 CG PRO B 144 -10.471 -0.878 -15.101 1.00 0.00 C ATOM 1000 CD PRO B 144 -11.636 -0.027 -14.594 1.00 0.00 C ATOM 0 HA PRO B 144 -13.105 -2.000 -16.665 1.00 0.00 H new ATOM 0 HB2 PRO B 144 -10.677 -3.026 -15.460 1.00 0.00 H new ATOM 0 HB3 PRO B 144 -10.791 -2.058 -16.916 1.00 0.00 H new ATOM 0 HG2 PRO B 144 -9.853 -1.215 -14.269 1.00 0.00 H new ATOM 0 HG3 PRO B 144 -9.828 -0.293 -15.759 1.00 0.00 H new ATOM 0 HD2 PRO B 144 -11.545 0.174 -13.526 1.00 0.00 H new ATOM 0 HD3 PRO B 144 -11.670 0.939 -15.098 1.00 0.00 H new ATOM 1008 N SER B 145 -13.888 -4.088 -15.626 1.00 0.00 N ATOM 1009 CA SER B 145 -14.413 -5.309 -14.963 1.00 0.00 C ATOM 1010 C SER B 145 -13.257 -6.275 -14.704 1.00 0.00 C ATOM 1011 O SER B 145 -13.248 -7.008 -13.734 1.00 0.00 O ATOM 1012 CB SER B 145 -15.440 -5.970 -15.879 1.00 0.00 C ATOM 1013 OG SER B 145 -14.829 -6.280 -17.124 1.00 0.00 O ATOM 0 H SER B 145 -14.183 -3.958 -16.594 1.00 0.00 H new ATOM 0 HA SER B 145 -14.885 -5.047 -14.016 1.00 0.00 H new ATOM 0 HB2 SER B 145 -15.827 -6.877 -15.415 1.00 0.00 H new ATOM 0 HB3 SER B 145 -16.289 -5.304 -16.033 1.00 0.00 H new ATOM 0 HG SER B 145 -15.312 -5.827 -17.847 1.00 0.00 H new ATOM 1019 N ASN B 146 -12.277 -6.278 -15.563 1.00 0.00 N ATOM 1020 CA ASN B 146 -11.117 -7.189 -15.366 1.00 0.00 C ATOM 1021 C ASN B 146 -10.234 -6.651 -14.239 1.00 0.00 C ATOM 1022 O ASN B 146 -9.237 -7.246 -13.880 1.00 0.00 O ATOM 1023 CB ASN B 146 -10.306 -7.262 -16.663 1.00 0.00 C ATOM 1024 CG ASN B 146 -8.949 -7.911 -16.386 1.00 0.00 C ATOM 1025 OD1 ASN B 146 -8.858 -9.114 -16.238 1.00 0.00 O ATOM 1026 ND2 ASN B 146 -7.886 -7.161 -16.309 1.00 0.00 N ATOM 0 H ASN B 146 -12.230 -5.688 -16.394 1.00 0.00 H new ATOM 0 HA ASN B 146 -11.473 -8.185 -15.102 1.00 0.00 H new ATOM 0 HB2 ASN B 146 -10.850 -7.838 -17.411 1.00 0.00 H new ATOM 0 HB3 ASN B 146 -10.165 -6.262 -17.072 1.00 0.00 H new ATOM 0 HD21 ASN B 146 -6.976 -7.583 -16.124 1.00 0.00 H new ATOM 0 HD22 ASN B 146 -7.964 -6.152 -16.433 1.00 0.00 H new ATOM 1033 N TYR B 147 -10.588 -5.525 -13.678 1.00 0.00 N ATOM 1034 CA TYR B 147 -9.766 -4.951 -12.579 1.00 0.00 C ATOM 1035 C TYR B 147 -10.440 -5.223 -11.231 1.00 0.00 C ATOM 1036 O TYR B 147 -10.062 -4.669 -10.219 1.00 0.00 O ATOM 1037 CB TYR B 147 -9.628 -3.441 -12.782 1.00 0.00 C ATOM 1038 CG TYR B 147 -8.314 -3.140 -13.466 1.00 0.00 C ATOM 1039 CD1 TYR B 147 -7.759 -4.067 -14.358 1.00 0.00 C ATOM 1040 CD2 TYR B 147 -7.652 -1.934 -13.208 1.00 0.00 C ATOM 1041 CE1 TYR B 147 -6.542 -3.787 -14.991 1.00 0.00 C ATOM 1042 CE2 TYR B 147 -6.434 -1.654 -13.842 1.00 0.00 C ATOM 1043 CZ TYR B 147 -5.880 -2.581 -14.733 1.00 0.00 C ATOM 1044 OH TYR B 147 -4.681 -2.305 -15.358 1.00 0.00 O ATOM 0 H TYR B 147 -11.411 -4.980 -13.935 1.00 0.00 H new ATOM 0 HA TYR B 147 -8.779 -5.414 -12.589 1.00 0.00 H new ATOM 0 HB2 TYR B 147 -10.457 -3.067 -13.383 1.00 0.00 H new ATOM 0 HB3 TYR B 147 -9.675 -2.929 -11.821 1.00 0.00 H new ATOM 0 HD1 TYR B 147 -8.270 -4.997 -14.557 1.00 0.00 H new ATOM 0 HD2 TYR B 147 -8.080 -1.219 -12.520 1.00 0.00 H new ATOM 0 HE1 TYR B 147 -6.114 -4.502 -15.678 1.00 0.00 H new ATOM 0 HE2 TYR B 147 -5.923 -0.724 -13.643 1.00 0.00 H new ATOM 0 HH TYR B 147 -4.356 -1.427 -15.069 1.00 0.00 H new ATOM 1054 N VAL B 148 -11.435 -6.069 -11.204 1.00 0.00 N ATOM 1055 CA VAL B 148 -12.117 -6.362 -9.911 1.00 0.00 C ATOM 1056 C VAL B 148 -12.427 -7.857 -9.816 1.00 0.00 C ATOM 1057 O VAL B 148 -12.602 -8.532 -10.811 1.00 0.00 O ATOM 1058 CB VAL B 148 -13.419 -5.565 -9.824 1.00 0.00 C ATOM 1059 CG1 VAL B 148 -13.101 -4.071 -9.783 1.00 0.00 C ATOM 1060 CG2 VAL B 148 -14.287 -5.869 -11.047 1.00 0.00 C ATOM 0 H VAL B 148 -11.803 -6.566 -12.015 1.00 0.00 H new ATOM 0 HA VAL B 148 -11.461 -6.077 -9.089 1.00 0.00 H new ATOM 0 HB VAL B 148 -13.957 -5.847 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -14.029 -3.503 -9.721 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -12.484 -3.854 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -12.563 -3.789 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -15.215 -5.301 -10.985 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -13.750 -5.589 -11.953 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -14.515 -6.934 -11.075 1.00 0.00 H new ATOM 1070 N ALA B 149 -12.501 -8.376 -8.621 1.00 0.00 N ATOM 1071 CA ALA B 149 -12.804 -9.825 -8.451 1.00 0.00 C ATOM 1072 C ALA B 149 -13.504 -10.035 -7.106 1.00 0.00 C ATOM 1073 O ALA B 149 -13.324 -9.260 -6.190 1.00 0.00 O ATOM 1074 CB ALA B 149 -11.501 -10.628 -8.481 1.00 0.00 C ATOM 0 H ALA B 149 -12.364 -7.858 -7.753 1.00 0.00 H new ATOM 0 HA ALA B 149 -13.452 -10.162 -9.260 1.00 0.00 H new ATOM 0 HB1 ALA B 149 -11.724 -11.688 -8.357 1.00 0.00 H new ATOM 0 HB2 ALA B 149 -11.000 -10.472 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA B 149 -10.851 -10.296 -7.672 1.00 0.00 H new ATOM 1080 N PRO B 150 -14.285 -11.083 -7.029 1.00 0.00 N ATOM 1081 CA PRO B 150 -15.028 -11.416 -5.801 1.00 0.00 C ATOM 1082 C PRO B 150 -14.055 -11.664 -4.643 1.00 0.00 C ATOM 1083 O PRO B 150 -13.017 -12.270 -4.813 1.00 0.00 O ATOM 1084 CB PRO B 150 -15.798 -12.698 -6.144 1.00 0.00 C ATOM 1085 CG PRO B 150 -15.461 -13.072 -7.611 1.00 0.00 C ATOM 1086 CD PRO B 150 -14.489 -12.013 -8.153 1.00 0.00 C ATOM 0 HA PRO B 150 -15.693 -10.611 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO B 150 -15.516 -13.506 -5.469 1.00 0.00 H new ATOM 0 HB3 PRO B 150 -16.870 -12.543 -6.025 1.00 0.00 H new ATOM 0 HG2 PRO B 150 -15.011 -14.064 -7.659 1.00 0.00 H new ATOM 0 HG3 PRO B 150 -16.368 -13.104 -8.215 1.00 0.00 H new ATOM 0 HD2 PRO B 150 -13.548 -12.464 -8.470 1.00 0.00 H new ATOM 0 HD3 PRO B 150 -14.905 -11.501 -9.021 1.00 0.00 H new ATOM 1094 N VAL B 151 -14.383 -11.198 -3.470 1.00 0.00 N ATOM 1095 CA VAL B 151 -13.477 -11.406 -2.306 1.00 0.00 C ATOM 1096 C VAL B 151 -13.808 -12.740 -1.633 1.00 0.00 C ATOM 1097 O VAL B 151 -14.304 -13.619 -2.318 1.00 0.00 O ATOM 1098 CB VAL B 151 -13.667 -10.267 -1.304 1.00 0.00 C ATOM 1099 CG1 VAL B 151 -15.045 -10.384 -0.653 1.00 0.00 C ATOM 1100 CG2 VAL B 151 -12.586 -10.353 -0.225 1.00 0.00 C ATOM 0 H VAL B 151 -15.239 -10.682 -3.267 1.00 0.00 H new ATOM 0 HA VAL B 151 -12.442 -11.420 -2.648 1.00 0.00 H new ATOM 0 HB VAL B 151 -13.590 -9.311 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL B 151 -15.180 -9.572 0.061 1.00 0.00 H new ATOM 0 HG12 VAL B 151 -15.816 -10.324 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL B 151 -15.123 -11.340 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL B 151 -12.720 -9.541 0.490 1.00 0.00 H new ATOM 0 HG22 VAL B 151 -12.664 -11.309 0.292 1.00 0.00 H new ATOM 0 HG23 VAL B 151 -11.603 -10.270 -0.688 1.00 0.00 H new