USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 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: A 74 SER OG : rot -99:sc= 0.481 USER MOD Set 1.2: A 88 GLN :FLIP amide:sc= -0.448 F(o=-2.8!,f=0.033) USER MOD Set 2.1: A 71 MET CE :methyl 157:sc= -0.222 (180deg=-1.38!) USER MOD Set 2.2: A 87 CYS SG : rot 11:sc= 0.00899 USER MOD Single : A 20 SER OG : rot 9:sc= 0.0118 USER MOD Single : A 24 GLN :FLIP amide:sc= -3.24! C(o=-4.3!,f=-3.2!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -3.99! C(o=-4!,f=-4.9!) USER MOD Single : A 45 GLN :FLIP amide:sc= -2.81! C(o=-3.8!,f=-2.8!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -2.15! X(o=-2.1!,f=-2.3) USER MOD Single : A 54 GLN :FLIP amide:sc=-0.00158 F(o=-1.2!,f=-0.0016) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-7.8!) USER MOD Single : A 94 SER OG : rot 70:sc= 0.708 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.600 4.004 -2.383 1.00 0.00 N ATOM 236 CA ILE A 14 107.197 4.163 -3.775 1.00 0.00 C ATOM 237 C ILE A 14 105.727 4.544 -3.853 1.00 0.00 C ATOM 238 O ILE A 14 104.852 3.755 -3.499 1.00 0.00 O ATOM 239 CB ILE A 14 107.445 2.857 -4.532 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.919 2.785 -4.943 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.557 2.790 -5.783 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.804 2.799 -3.694 1.00 0.00 C ATOM 0 HA ILE A 14 107.787 4.958 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 14 107.200 2.016 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 14 109.102 1.878 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 14 109.169 3.628 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.744 1.856 -6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.509 2.837 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 14 106.787 3.630 -6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.852 2.748 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 14 109.630 3.718 -3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.562 1.941 -3.067 1.00 0.00 H new ATOM 254 N ALA A 15 105.461 5.760 -4.315 1.00 0.00 N ATOM 255 CA ALA A 15 104.086 6.226 -4.425 1.00 0.00 C ATOM 256 C ALA A 15 103.542 5.997 -5.828 1.00 0.00 C ATOM 257 O ALA A 15 104.055 6.536 -6.809 1.00 0.00 O ATOM 258 CB ALA A 15 104.015 7.715 -4.088 1.00 0.00 C ATOM 0 H ALA A 15 106.168 6.431 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 15 103.477 5.659 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.984 8.058 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.369 7.875 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.642 8.275 -4.782 1.00 0.00 H new ATOM 264 N PHE A 16 102.480 5.211 -5.897 1.00 0.00 N ATOM 265 CA PHE A 16 101.814 4.909 -7.154 1.00 0.00 C ATOM 266 C PHE A 16 100.336 4.675 -6.872 1.00 0.00 C ATOM 267 O PHE A 16 99.980 4.232 -5.780 1.00 0.00 O ATOM 268 CB PHE A 16 102.470 3.698 -7.835 1.00 0.00 C ATOM 269 CG PHE A 16 102.087 2.405 -7.149 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.205 2.275 -5.758 1.00 0.00 C ATOM 271 CD2 PHE A 16 101.623 1.325 -7.913 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.859 1.071 -5.136 1.00 0.00 C ATOM 273 CE2 PHE A 16 101.281 0.123 -7.289 1.00 0.00 C ATOM 274 CZ PHE A 16 101.399 -0.005 -5.902 1.00 0.00 C ATOM 0 H PHE A 16 102.055 4.765 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 16 101.912 5.746 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 16 102.168 3.660 -8.882 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.554 3.813 -7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.563 3.105 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 16 101.530 1.422 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 16 101.947 0.972 -4.064 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.925 -0.709 -7.879 1.00 0.00 H new ATOM 0 HZ PHE A 16 101.135 -0.935 -5.422 1.00 0.00 H new ATOM 284 N ASP A 17 99.469 4.996 -7.824 1.00 0.00 N ATOM 285 CA ASP A 17 98.036 4.831 -7.596 1.00 0.00 C ATOM 286 C ASP A 17 97.537 3.499 -8.144 1.00 0.00 C ATOM 287 O ASP A 17 98.063 2.977 -9.126 1.00 0.00 O ATOM 288 CB ASP A 17 97.270 5.981 -8.260 1.00 0.00 C ATOM 289 CG ASP A 17 97.279 7.209 -7.353 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.339 7.544 -6.852 1.00 0.00 O ATOM 291 OD2 ASP A 17 96.224 7.794 -7.173 1.00 0.00 O ATOM 0 H ASP A 17 99.722 5.364 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 17 97.861 4.843 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 17 97.725 6.225 -9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 17 96.243 5.676 -8.462 1.00 0.00 H new ATOM 296 N ALA A 18 96.512 2.961 -7.492 1.00 0.00 N ATOM 297 CA ALA A 18 95.924 1.693 -7.901 1.00 0.00 C ATOM 298 C ALA A 18 94.788 1.320 -6.957 1.00 0.00 C ATOM 299 O ALA A 18 94.512 2.031 -5.993 1.00 0.00 O ATOM 300 CB ALA A 18 96.985 0.590 -7.899 1.00 0.00 C ATOM 0 H ALA A 18 96.071 3.385 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 18 95.530 1.799 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.531 -0.352 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.783 0.852 -8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.397 0.483 -6.896 1.00 0.00 H new ATOM 306 N ASP A 19 94.133 0.204 -7.237 1.00 0.00 N ATOM 307 CA ASP A 19 93.026 -0.250 -6.398 1.00 0.00 C ATOM 308 C ASP A 19 93.510 -1.275 -5.379 1.00 0.00 C ATOM 309 O ASP A 19 94.227 -2.215 -5.723 1.00 0.00 O ATOM 310 CB ASP A 19 91.921 -0.871 -7.271 1.00 0.00 C ATOM 311 CG ASP A 19 92.283 -0.748 -8.748 1.00 0.00 C ATOM 312 OD1 ASP A 19 93.170 -1.464 -9.182 1.00 0.00 O ATOM 313 OD2 ASP A 19 91.665 0.058 -9.424 1.00 0.00 O ATOM 0 H ASP A 19 94.343 -0.402 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 19 92.624 0.612 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.787 -1.920 -7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 19 90.972 -0.371 -7.079 1.00 0.00 H new ATOM 318 N SER A 20 93.092 -1.105 -4.126 1.00 0.00 N ATOM 319 CA SER A 20 93.469 -2.040 -3.075 1.00 0.00 C ATOM 320 C SER A 20 92.250 -2.410 -2.237 1.00 0.00 C ATOM 321 O SER A 20 91.293 -1.647 -2.142 1.00 0.00 O ATOM 322 CB SER A 20 94.540 -1.422 -2.179 1.00 0.00 C ATOM 323 OG SER A 20 94.119 -0.128 -1.768 1.00 0.00 O ATOM 0 H SER A 20 92.498 -0.335 -3.818 1.00 0.00 H new ATOM 0 HA SER A 20 93.869 -2.941 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.712 -2.055 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.486 -1.356 -2.716 1.00 0.00 H new ATOM 0 HG SER A 20 93.188 0.014 -2.038 1.00 0.00 H new ATOM 329 N GLU A 21 92.300 -3.583 -1.627 1.00 0.00 N ATOM 330 CA GLU A 21 91.206 -4.055 -0.783 1.00 0.00 C ATOM 331 C GLU A 21 91.788 -4.657 0.479 1.00 0.00 C ATOM 332 O GLU A 21 92.875 -5.229 0.450 1.00 0.00 O ATOM 333 CB GLU A 21 90.375 -5.104 -1.526 1.00 0.00 C ATOM 334 CG GLU A 21 89.800 -4.491 -2.808 1.00 0.00 C ATOM 335 CD GLU A 21 88.523 -5.221 -3.211 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.617 -5.282 -2.395 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.469 -5.710 -4.327 1.00 0.00 O ATOM 0 H GLU A 21 93.086 -4.229 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 21 90.555 -3.218 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 90.994 -5.967 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.567 -5.461 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 21 89.589 -3.433 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 21 90.534 -4.555 -3.612 1.00 0.00 H new ATOM 344 N ILE A 22 91.081 -4.517 1.592 1.00 0.00 N ATOM 345 CA ILE A 22 91.588 -5.051 2.851 1.00 0.00 C ATOM 346 C ILE A 22 90.574 -5.977 3.508 1.00 0.00 C ATOM 347 O ILE A 22 89.388 -5.686 3.559 1.00 0.00 O ATOM 348 CB ILE A 22 91.957 -3.893 3.777 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.163 -3.162 3.176 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.312 -4.417 5.173 1.00 0.00 C ATOM 351 CD1 ILE A 22 93.639 -2.059 4.119 1.00 0.00 C ATOM 0 H ILE A 22 90.176 -4.050 1.652 1.00 0.00 H new ATOM 0 HA ILE A 22 92.479 -5.646 2.650 1.00 0.00 H new ATOM 0 HB ILE A 22 91.110 -3.214 3.872 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.972 -3.869 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.893 -2.733 2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.572 -3.580 5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.456 -4.947 5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.160 -5.098 5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 94.496 -1.549 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.833 -1.343 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.929 -2.497 5.074 1.00 0.00 H new ATOM 363 N LEU A 23 91.071 -7.102 4.004 1.00 0.00 N ATOM 364 CA LEU A 23 90.231 -8.097 4.654 1.00 0.00 C ATOM 365 C LEU A 23 90.678 -8.329 6.086 1.00 0.00 C ATOM 366 O LEU A 23 91.828 -8.686 6.343 1.00 0.00 O ATOM 367 CB LEU A 23 90.301 -9.425 3.889 1.00 0.00 C ATOM 368 CG LEU A 23 90.569 -9.156 2.404 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.075 -9.166 2.133 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.909 -10.246 1.555 1.00 0.00 C ATOM 0 H LEU A 23 92.060 -7.349 3.968 1.00 0.00 H new ATOM 0 HA LEU A 23 89.207 -7.723 4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.091 -10.052 4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.366 -9.972 4.006 1.00 0.00 H new ATOM 0 HG LEU A 23 90.156 -8.181 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.256 -8.974 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.557 -8.392 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.486 -10.139 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.101 -10.052 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.321 -11.218 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.834 -10.245 1.734 1.00 0.00 H new ATOM 382 N GLN A 24 89.751 -8.145 7.008 1.00 0.00 N ATOM 383 CA GLN A 24 90.039 -8.359 8.423 1.00 0.00 C ATOM 384 C GLN A 24 88.949 -9.222 9.041 1.00 0.00 C ATOM 385 O GLN A 24 87.849 -8.743 9.311 1.00 0.00 O ATOM 386 CB GLN A 24 90.104 -7.013 9.151 1.00 0.00 C ATOM 387 CG GLN A 24 90.583 -7.215 10.600 1.00 0.00 C ATOM 388 CD GLN A 24 89.399 -7.158 11.564 1.00 0.00 C ATOM 389 OE1 GLN A 24 89.582 -6.737 12.786 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 88.279 -7.503 11.193 1.00 0.00 N flip ATOM 0 H GLN A 24 88.795 -7.849 6.809 1.00 0.00 H new ATOM 0 HA GLN A 24 91.000 -8.864 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 24 90.782 -6.340 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.121 -6.542 9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 24 91.089 -8.176 10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 91.310 -6.446 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 24 88.137 -7.832 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 24 87.492 -7.460 11.840 1.00 0.00 H new ATOM 399 N GLY A 25 89.243 -10.504 9.238 1.00 0.00 N ATOM 400 CA GLY A 25 88.257 -11.417 9.798 1.00 0.00 C ATOM 401 C GLY A 25 87.269 -11.841 8.717 1.00 0.00 C ATOM 402 O GLY A 25 87.666 -12.284 7.639 1.00 0.00 O ATOM 0 H GLY A 25 90.145 -10.928 9.021 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.755 -12.294 10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.726 -10.934 10.619 1.00 0.00 H new ATOM 406 N GLU A 26 85.982 -11.695 9.006 1.00 0.00 N ATOM 407 CA GLU A 26 84.942 -12.054 8.047 1.00 0.00 C ATOM 408 C GLU A 26 84.439 -10.807 7.326 1.00 0.00 C ATOM 409 O GLU A 26 83.401 -10.835 6.666 1.00 0.00 O ATOM 410 CB GLU A 26 83.776 -12.724 8.778 1.00 0.00 C ATOM 411 CG GLU A 26 83.448 -11.938 10.050 1.00 0.00 C ATOM 412 CD GLU A 26 82.074 -12.340 10.575 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.223 -12.664 9.762 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.892 -12.318 11.780 1.00 0.00 O ATOM 0 H GLU A 26 85.633 -11.332 9.893 1.00 0.00 H new ATOM 0 HA GLU A 26 85.361 -12.745 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 26 82.902 -12.765 8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.034 -13.752 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 26 84.206 -12.128 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 26 83.467 -10.868 9.841 1.00 0.00 H new ATOM 421 N ARG A 27 85.170 -9.705 7.485 1.00 0.00 N ATOM 422 CA ARG A 27 84.779 -8.438 6.874 1.00 0.00 C ATOM 423 C ARG A 27 85.755 -7.987 5.796 1.00 0.00 C ATOM 424 O ARG A 27 86.971 -8.036 5.981 1.00 0.00 O ATOM 425 CB ARG A 27 84.731 -7.364 7.949 1.00 0.00 C ATOM 426 CG ARG A 27 83.645 -7.709 8.975 1.00 0.00 C ATOM 427 CD ARG A 27 84.168 -7.412 10.374 1.00 0.00 C ATOM 428 NE ARG A 27 83.079 -7.452 11.346 1.00 0.00 N ATOM 429 CZ ARG A 27 83.299 -7.776 12.618 1.00 0.00 C ATOM 430 NH1 ARG A 27 84.508 -8.067 13.019 1.00 0.00 N ATOM 431 NH2 ARG A 27 82.307 -7.802 13.466 1.00 0.00 N ATOM 0 H ARG A 27 86.032 -9.665 8.029 1.00 0.00 H new ATOM 0 HA ARG A 27 83.804 -8.588 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.700 -7.286 8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.524 -6.393 7.498 1.00 0.00 H new ATOM 0 HG2 ARG A 27 82.744 -7.127 8.779 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.370 -8.760 8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 27 84.932 -8.140 10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.642 -6.431 10.391 1.00 0.00 H new ATOM 0 HE ARG A 27 82.131 -7.227 11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 27 85.284 -8.046 12.357 1.00 0.00 H new ATOM 0 HH12 ARG A 27 84.676 -8.315 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 27 81.363 -7.574 13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 27 82.476 -8.050 14.441 1.00 0.00 H new ATOM 445 N ARG A 28 85.210 -7.537 4.676 1.00 0.00 N ATOM 446 CA ARG A 28 86.026 -7.056 3.561 1.00 0.00 C ATOM 447 C ARG A 28 85.552 -5.685 3.119 1.00 0.00 C ATOM 448 O ARG A 28 84.370 -5.358 3.223 1.00 0.00 O ATOM 449 CB ARG A 28 85.936 -8.034 2.381 1.00 0.00 C ATOM 450 CG ARG A 28 87.006 -7.689 1.331 1.00 0.00 C ATOM 451 CD ARG A 28 86.525 -8.102 -0.067 1.00 0.00 C ATOM 452 NE ARG A 28 87.665 -8.470 -0.906 1.00 0.00 N ATOM 453 CZ ARG A 28 88.060 -9.735 -1.021 1.00 0.00 C ATOM 454 NH1 ARG A 28 87.438 -10.679 -0.367 1.00 0.00 N ATOM 455 NH2 ARG A 28 89.075 -10.034 -1.784 1.00 0.00 N ATOM 0 H ARG A 28 84.204 -7.493 4.511 1.00 0.00 H new ATOM 0 HA ARG A 28 87.062 -6.987 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.076 -9.056 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 28 84.944 -7.985 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.215 -6.619 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.939 -8.200 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 28 85.836 -8.943 0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.975 -7.281 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 28 88.168 -7.742 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 86.647 -10.447 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 28 87.743 -11.648 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.565 -9.298 -2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 89.378 -11.004 -1.872 1.00 0.00 H new ATOM 469 N TRP A 29 86.489 -4.878 2.642 1.00 0.00 N ATOM 470 CA TRP A 29 86.179 -3.530 2.201 1.00 0.00 C ATOM 471 C TRP A 29 87.073 -3.128 1.032 1.00 0.00 C ATOM 472 O TRP A 29 88.175 -3.651 0.870 1.00 0.00 O ATOM 473 CB TRP A 29 86.433 -2.563 3.347 1.00 0.00 C ATOM 474 CG TRP A 29 85.610 -2.930 4.533 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.271 -2.803 4.624 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.062 -3.472 5.801 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.868 -3.225 5.880 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.942 -3.648 6.643 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.330 -3.821 6.296 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.075 -4.151 7.937 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.470 -4.330 7.595 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.345 -4.495 8.416 1.00 0.00 C ATOM 0 H TRP A 29 87.472 -5.136 2.551 1.00 0.00 H new ATOM 0 HA TRP A 29 85.136 -3.499 1.887 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.490 -2.575 3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.195 -1.547 3.032 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.620 -2.433 3.846 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.900 -3.224 6.202 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.202 -3.696 5.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.205 -4.274 8.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.449 -4.596 7.965 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.458 -4.887 9.416 1.00 0.00 H new ATOM 493 N GLU A 30 86.597 -2.180 0.231 1.00 0.00 N ATOM 494 CA GLU A 30 87.364 -1.696 -0.909 1.00 0.00 C ATOM 495 C GLU A 30 88.041 -0.376 -0.547 1.00 0.00 C ATOM 496 O GLU A 30 87.429 0.481 0.089 1.00 0.00 O ATOM 497 CB GLU A 30 86.433 -1.482 -2.106 1.00 0.00 C ATOM 498 CG GLU A 30 85.476 -2.670 -2.229 1.00 0.00 C ATOM 499 CD GLU A 30 84.832 -2.680 -3.612 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.698 -1.615 -4.189 1.00 0.00 O ATOM 501 OE2 GLU A 30 84.481 -3.754 -4.072 1.00 0.00 O ATOM 0 H GLU A 30 85.688 -1.734 0.350 1.00 0.00 H new ATOM 0 HA GLU A 30 88.123 -2.434 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 30 85.868 -0.558 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 30 87.017 -1.376 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 30 86.017 -3.602 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.706 -2.608 -1.460 1.00 0.00 H new ATOM 508 N VAL A 31 89.300 -0.211 -0.934 1.00 0.00 N ATOM 509 CA VAL A 31 90.025 1.017 -0.616 1.00 0.00 C ATOM 510 C VAL A 31 91.016 1.379 -1.715 1.00 0.00 C ATOM 511 O VAL A 31 91.463 0.526 -2.478 1.00 0.00 O ATOM 512 CB VAL A 31 90.784 0.841 0.701 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.787 0.746 1.855 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.620 -0.439 0.645 1.00 0.00 C ATOM 0 H VAL A 31 89.836 -0.900 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 31 89.296 1.822 -0.528 1.00 0.00 H new ATOM 0 HB VAL A 31 91.441 1.697 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.327 0.621 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.192 1.658 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.129 -0.109 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.160 -0.562 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.964 -1.295 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.333 -0.372 -0.177 1.00 0.00 H new ATOM 524 N LEU A 32 91.375 2.656 -1.765 1.00 0.00 N ATOM 525 CA LEU A 32 92.339 3.145 -2.743 1.00 0.00 C ATOM 526 C LEU A 32 93.708 3.192 -2.078 1.00 0.00 C ATOM 527 O LEU A 32 93.857 3.762 -0.998 1.00 0.00 O ATOM 528 CB LEU A 32 91.924 4.550 -3.214 1.00 0.00 C ATOM 529 CG LEU A 32 93.116 5.294 -3.834 1.00 0.00 C ATOM 530 CD1 LEU A 32 93.676 4.495 -5.015 1.00 0.00 C ATOM 531 CD2 LEU A 32 92.649 6.668 -4.322 1.00 0.00 C ATOM 0 H LEU A 32 91.012 3.374 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 32 92.374 2.486 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 32 91.120 4.470 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.533 5.120 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 32 93.898 5.413 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 94.521 5.030 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 32 94.006 3.516 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 32 92.900 4.370 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 32 93.490 7.202 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 32 91.866 6.542 -5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 92.258 7.239 -3.480 1.00 0.00 H new ATOM 543 N LEU A 33 94.708 2.601 -2.718 1.00 0.00 N ATOM 544 CA LEU A 33 96.049 2.605 -2.152 1.00 0.00 C ATOM 545 C LEU A 33 96.833 3.781 -2.700 1.00 0.00 C ATOM 546 O LEU A 33 96.935 3.971 -3.912 1.00 0.00 O ATOM 547 CB LEU A 33 96.767 1.286 -2.467 1.00 0.00 C ATOM 548 CG LEU A 33 98.274 1.401 -2.166 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.758 0.104 -1.514 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.053 1.634 -3.469 1.00 0.00 C ATOM 0 H LEU A 33 94.619 2.121 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 33 95.977 2.703 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.333 0.480 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.619 1.027 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 33 98.442 2.241 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.824 0.180 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.212 -0.062 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.584 -0.731 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.117 1.714 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.886 0.797 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.710 2.556 -3.938 1.00 0.00 H new ATOM 562 N HIS A 34 97.356 4.589 -1.794 1.00 0.00 N ATOM 563 CA HIS A 34 98.102 5.772 -2.183 1.00 0.00 C ATOM 564 C HIS A 34 99.595 5.481 -2.319 1.00 0.00 C ATOM 565 O HIS A 34 100.279 6.160 -3.086 1.00 0.00 O ATOM 566 CB HIS A 34 97.845 6.881 -1.171 1.00 0.00 C ATOM 567 CG HIS A 34 96.462 7.436 -1.375 1.00 0.00 C ATOM 568 ND1 HIS A 34 96.224 8.583 -2.117 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.232 7.009 -0.940 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.896 8.804 -2.105 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.245 7.875 -1.401 1.00 0.00 N ATOM 0 H HIS A 34 97.278 4.448 -0.787 1.00 0.00 H new ATOM 0 HA HIS A 34 97.758 6.095 -3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.947 6.494 -0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.586 7.672 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.057 6.134 -0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.416 9.632 -2.604 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.240 7.813 -1.236 1.00 0.00 H new ATOM 579 N ASP A 35 100.106 4.460 -1.636 1.00 0.00 N ATOM 580 CA ASP A 35 101.525 4.124 -1.790 1.00 0.00 C ATOM 581 C ASP A 35 101.887 2.850 -1.032 1.00 0.00 C ATOM 582 O ASP A 35 101.136 2.382 -0.176 1.00 0.00 O ATOM 583 CB ASP A 35 102.412 5.282 -1.330 1.00 0.00 C ATOM 584 CG ASP A 35 102.232 5.501 0.167 1.00 0.00 C ATOM 585 OD1 ASP A 35 102.711 4.676 0.929 1.00 0.00 O ATOM 586 OD2 ASP A 35 101.616 6.488 0.530 1.00 0.00 O ATOM 0 H ASP A 35 99.583 3.867 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 35 101.702 3.946 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.456 5.064 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 35 102.153 6.190 -1.874 1.00 0.00 H new ATOM 591 N VAL A 36 103.043 2.285 -1.381 1.00 0.00 N ATOM 592 CA VAL A 36 103.507 1.048 -0.757 1.00 0.00 C ATOM 593 C VAL A 36 105.029 1.015 -0.658 1.00 0.00 C ATOM 594 O VAL A 36 105.727 1.826 -1.267 1.00 0.00 O ATOM 595 CB VAL A 36 103.019 -0.152 -1.579 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.875 -0.289 -2.843 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.131 -1.438 -0.755 1.00 0.00 C ATOM 0 H VAL A 36 103.672 2.663 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 36 103.100 1.000 0.253 1.00 0.00 H new ATOM 0 HB VAL A 36 101.976 0.009 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.528 -1.142 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.790 0.619 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.917 -0.442 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.782 -2.282 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.171 -1.599 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.520 -1.349 0.143 1.00 0.00 H new ATOM 607 N SER A 37 105.525 0.042 0.100 1.00 0.00 N ATOM 608 CA SER A 37 106.953 -0.160 0.281 1.00 0.00 C ATOM 609 C SER A 37 107.211 -1.660 0.323 1.00 0.00 C ATOM 610 O SER A 37 106.267 -2.447 0.388 1.00 0.00 O ATOM 611 CB SER A 37 107.427 0.485 1.584 1.00 0.00 C ATOM 612 OG SER A 37 108.838 0.654 1.538 1.00 0.00 O ATOM 0 H SER A 37 104.945 -0.628 0.605 1.00 0.00 H new ATOM 0 HA SER A 37 107.500 0.302 -0.541 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.938 1.449 1.725 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.151 -0.140 2.434 1.00 0.00 H new ATOM 0 HG SER A 37 109.145 1.069 2.371 1.00 0.00 H new ATOM 618 N LEU A 38 108.469 -2.068 0.288 1.00 0.00 N ATOM 619 CA LEU A 38 108.764 -3.492 0.319 1.00 0.00 C ATOM 620 C LEU A 38 108.383 -4.084 1.676 1.00 0.00 C ATOM 621 O LEU A 38 108.514 -5.289 1.890 1.00 0.00 O ATOM 622 CB LEU A 38 110.250 -3.747 0.023 1.00 0.00 C ATOM 623 CG LEU A 38 111.086 -2.538 0.468 1.00 0.00 C ATOM 624 CD1 LEU A 38 112.494 -3.000 0.852 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.182 -1.525 -0.679 1.00 0.00 C ATOM 0 H LEU A 38 109.282 -1.454 0.239 1.00 0.00 H new ATOM 0 HA LEU A 38 108.172 -3.981 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.585 -4.644 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.392 -3.926 -1.043 1.00 0.00 H new ATOM 0 HG LEU A 38 110.607 -2.070 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 38 113.086 -2.141 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 38 112.431 -3.717 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 112.969 -3.472 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 38 111.776 -0.669 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 38 111.657 -1.995 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 38 110.182 -1.191 -0.954 1.00 0.00 H new ATOM 637 N HIS A 39 107.915 -3.235 2.593 1.00 0.00 N ATOM 638 CA HIS A 39 107.533 -3.710 3.922 1.00 0.00 C ATOM 639 C HIS A 39 106.528 -2.764 4.592 1.00 0.00 C ATOM 640 O HIS A 39 106.592 -2.543 5.801 1.00 0.00 O ATOM 641 CB HIS A 39 108.786 -3.833 4.797 1.00 0.00 C ATOM 642 CG HIS A 39 108.613 -4.950 5.791 1.00 0.00 C ATOM 643 ND1 HIS A 39 109.424 -6.075 5.785 1.00 0.00 N ATOM 644 CD2 HIS A 39 107.734 -5.127 6.830 1.00 0.00 C ATOM 645 CE1 HIS A 39 109.020 -6.871 6.792 1.00 0.00 C ATOM 646 NE2 HIS A 39 107.993 -6.341 7.460 1.00 0.00 N ATOM 0 H HIS A 39 107.793 -2.233 2.444 1.00 0.00 H new ATOM 0 HA HIS A 39 107.055 -4.683 3.811 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.659 -4.023 4.172 1.00 0.00 H new ATOM 0 HB3 HIS A 39 108.967 -2.894 5.320 1.00 0.00 H new ATOM 0 HD2 HIS A 39 106.959 -4.431 7.115 1.00 0.00 H new ATOM 0 HE1 HIS A 39 109.472 -7.823 7.031 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.503 -6.740 8.261 1.00 0.00 H new ATOM 654 N GLY A 40 105.599 -2.212 3.812 1.00 0.00 N ATOM 655 CA GLY A 40 104.600 -1.301 4.376 1.00 0.00 C ATOM 656 C GLY A 40 103.619 -0.814 3.309 1.00 0.00 C ATOM 657 O GLY A 40 103.916 -0.864 2.120 1.00 0.00 O ATOM 0 H GLY A 40 105.516 -2.374 2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.052 -1.807 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.101 -0.445 4.829 1.00 0.00 H new ATOM 661 N ILE A 41 102.438 -0.362 3.744 1.00 0.00 N ATOM 662 CA ILE A 41 101.411 0.110 2.810 1.00 0.00 C ATOM 663 C ILE A 41 100.537 1.200 3.438 1.00 0.00 C ATOM 664 O ILE A 41 100.307 1.219 4.647 1.00 0.00 O ATOM 665 CB ILE A 41 100.533 -1.079 2.356 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.044 -0.689 2.368 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.743 -2.272 3.288 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.196 -1.841 1.820 1.00 0.00 C ATOM 0 H ILE A 41 102.171 -0.313 4.727 1.00 0.00 H new ATOM 0 HA ILE A 41 101.913 0.545 1.946 1.00 0.00 H new ATOM 0 HB ILE A 41 100.825 -1.348 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.731 -0.447 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.889 0.206 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.120 -3.104 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.791 -2.572 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.468 -1.992 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.144 -1.556 1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.500 -2.062 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.340 -2.726 2.440 1.00 0.00 H new ATOM 680 N LEU A 42 100.039 2.092 2.577 1.00 0.00 N ATOM 681 CA LEU A 42 99.162 3.188 2.997 1.00 0.00 C ATOM 682 C LEU A 42 97.844 3.084 2.232 1.00 0.00 C ATOM 683 O LEU A 42 97.839 2.739 1.050 1.00 0.00 O ATOM 684 CB LEU A 42 99.826 4.539 2.690 1.00 0.00 C ATOM 685 CG LEU A 42 99.454 5.585 3.754 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.432 6.768 3.682 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.030 6.092 3.511 1.00 0.00 C ATOM 0 H LEU A 42 100.231 2.075 1.575 1.00 0.00 H new ATOM 0 HA LEU A 42 98.980 3.119 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.909 4.418 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.513 4.888 1.706 1.00 0.00 H new ATOM 0 HG LEU A 42 99.511 5.123 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.165 7.507 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.446 6.413 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.379 7.224 2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.773 6.833 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.970 6.548 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.332 5.257 3.569 1.00 0.00 H new ATOM 699 N VAL A 43 96.732 3.365 2.899 1.00 0.00 N ATOM 700 CA VAL A 43 95.429 3.273 2.243 1.00 0.00 C ATOM 701 C VAL A 43 94.461 4.337 2.750 1.00 0.00 C ATOM 702 O VAL A 43 94.757 5.071 3.691 1.00 0.00 O ATOM 703 CB VAL A 43 94.830 1.886 2.474 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.826 0.818 2.021 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.533 1.705 3.963 1.00 0.00 C ATOM 0 H VAL A 43 96.702 3.654 3.877 1.00 0.00 H new ATOM 0 HA VAL A 43 95.584 3.441 1.177 1.00 0.00 H new ATOM 0 HB VAL A 43 93.907 1.788 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.399 -0.171 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 43 96.042 0.948 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.749 0.915 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.106 0.717 4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.457 1.803 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.824 2.467 4.288 1.00 0.00 H new ATOM 715 N GLY A 44 93.287 4.383 2.126 1.00 0.00 N ATOM 716 CA GLY A 44 92.237 5.330 2.522 1.00 0.00 C ATOM 717 C GLY A 44 91.205 4.618 3.399 1.00 0.00 C ATOM 718 O GLY A 44 90.938 3.434 3.196 1.00 0.00 O ATOM 0 H GLY A 44 93.035 3.778 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.675 6.167 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.753 5.743 1.637 1.00 0.00 H new ATOM 722 N GLN A 45 90.640 5.316 4.392 1.00 0.00 N ATOM 723 CA GLN A 45 89.668 4.690 5.292 1.00 0.00 C ATOM 724 C GLN A 45 88.245 4.761 4.735 1.00 0.00 C ATOM 725 O GLN A 45 87.701 5.856 4.587 1.00 0.00 O ATOM 726 CB GLN A 45 89.685 5.427 6.639 1.00 0.00 C ATOM 727 CG GLN A 45 88.870 4.640 7.683 1.00 0.00 C ATOM 728 CD GLN A 45 87.448 5.193 7.792 1.00 0.00 C ATOM 729 OE1 GLN A 45 86.975 5.958 6.847 1.00 0.00 O flip ATOM 730 NE2 GLN A 45 86.750 4.917 8.768 1.00 0.00 N flip ATOM 0 H GLN A 45 90.835 6.297 4.590 1.00 0.00 H new ATOM 0 HA GLN A 45 89.949 3.643 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.712 5.548 6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.269 6.428 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.835 3.587 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.363 4.697 8.654 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.120 4.319 9.507 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.802 5.286 8.838 1.00 0.00 H new ATOM 739 N PRO A 46 87.612 3.652 4.447 1.00 0.00 N ATOM 740 CA PRO A 46 86.220 3.663 3.935 1.00 0.00 C ATOM 741 C PRO A 46 85.203 3.673 5.084 1.00 0.00 C ATOM 742 O PRO A 46 85.483 3.189 6.181 1.00 0.00 O ATOM 743 CB PRO A 46 86.153 2.379 3.118 1.00 0.00 C ATOM 744 CG PRO A 46 87.054 1.429 3.852 1.00 0.00 C ATOM 745 CD PRO A 46 88.130 2.284 4.551 1.00 0.00 C ATOM 0 HA PRO A 46 85.977 4.549 3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.134 1.997 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.492 2.540 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.490 0.846 4.580 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.512 0.720 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.265 1.985 5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.099 2.185 4.062 1.00 0.00 H new ATOM 753 N GLN A 47 84.034 4.249 4.825 1.00 0.00 N ATOM 754 CA GLN A 47 82.979 4.355 5.835 1.00 0.00 C ATOM 755 C GLN A 47 82.577 2.994 6.414 1.00 0.00 C ATOM 756 O GLN A 47 81.873 2.932 7.422 1.00 0.00 O ATOM 757 CB GLN A 47 81.747 5.016 5.209 1.00 0.00 C ATOM 758 CG GLN A 47 81.513 4.442 3.812 1.00 0.00 C ATOM 759 CD GLN A 47 80.130 4.839 3.307 1.00 0.00 C ATOM 760 OE1 GLN A 47 79.310 3.975 2.997 1.00 0.00 O ATOM 761 NE2 GLN A 47 79.822 6.103 3.202 1.00 0.00 N ATOM 0 H GLN A 47 83.789 4.652 3.921 1.00 0.00 H new ATOM 0 HA GLN A 47 83.373 4.956 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 47 80.872 4.844 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 47 81.890 6.095 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 47 82.278 4.808 3.127 1.00 0.00 H new ATOM 0 HG3 GLN A 47 81.602 3.356 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 47 80.503 6.817 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 47 78.900 6.377 2.862 1.00 0.00 H new ATOM 770 N ASP A 48 82.993 1.909 5.767 1.00 0.00 N ATOM 771 CA ASP A 48 82.627 0.566 6.230 1.00 0.00 C ATOM 772 C ASP A 48 83.729 -0.078 7.076 1.00 0.00 C ATOM 773 O ASP A 48 83.656 -1.264 7.396 1.00 0.00 O ATOM 774 CB ASP A 48 82.322 -0.327 5.028 1.00 0.00 C ATOM 775 CG ASP A 48 81.003 0.091 4.386 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.151 0.592 5.101 1.00 0.00 O ATOM 777 OD2 ASP A 48 80.863 -0.096 3.188 1.00 0.00 O ATOM 0 H ASP A 48 83.577 1.927 4.931 1.00 0.00 H new ATOM 0 HA ASP A 48 81.744 0.669 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.129 -0.256 4.299 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.268 -1.369 5.344 1.00 0.00 H new ATOM 782 N TRP A 49 84.749 0.695 7.424 1.00 0.00 N ATOM 783 CA TRP A 49 85.859 0.170 8.220 1.00 0.00 C ATOM 784 C TRP A 49 85.398 -0.344 9.579 1.00 0.00 C ATOM 785 O TRP A 49 85.762 0.221 10.609 1.00 0.00 O ATOM 786 CB TRP A 49 86.896 1.260 8.451 1.00 0.00 C ATOM 787 CG TRP A 49 88.136 0.663 9.038 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.426 0.609 10.356 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.235 0.037 8.345 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.665 -0.003 10.520 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.212 -0.364 9.294 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.476 -0.205 6.987 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.396 -0.988 8.878 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.652 -0.830 6.574 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.611 -1.214 7.513 1.00 0.00 C ATOM 0 H TRP A 49 84.834 1.680 7.172 1.00 0.00 H new ATOM 0 HA TRP A 49 86.286 -0.660 7.658 1.00 0.00 H new ATOM 0 HB2 TRP A 49 87.131 1.757 7.510 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.495 2.020 9.121 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.799 0.980 11.153 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.113 -0.165 11.422 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.744 0.095 6.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.136 -1.292 9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.822 -1.018 5.524 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.524 -1.688 7.185 1.00 0.00 H new ATOM 806 N ASN A 50 84.633 -1.424 9.598 1.00 0.00 N ATOM 807 CA ASN A 50 84.195 -1.989 10.873 1.00 0.00 C ATOM 808 C ASN A 50 85.174 -3.077 11.302 1.00 0.00 C ATOM 809 O ASN A 50 84.906 -4.266 11.129 1.00 0.00 O ATOM 810 CB ASN A 50 82.778 -2.557 10.765 1.00 0.00 C ATOM 811 CG ASN A 50 82.352 -3.149 12.105 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.342 -2.734 12.675 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.063 -4.102 12.646 1.00 0.00 N ATOM 0 H ASN A 50 84.307 -1.920 8.769 1.00 0.00 H new ATOM 0 HA ASN A 50 84.177 -1.198 11.623 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.084 -1.771 10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.742 -3.324 9.991 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.782 -4.503 13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 50 83.899 -4.445 12.174 1.00 0.00 H new ATOM 820 N GLY A 51 86.316 -2.665 11.846 1.00 0.00 N ATOM 821 CA GLY A 51 87.334 -3.622 12.276 1.00 0.00 C ATOM 822 C GLY A 51 88.023 -3.168 13.557 1.00 0.00 C ATOM 823 O GLY A 51 87.947 -2.001 13.941 1.00 0.00 O ATOM 0 H GLY A 51 86.559 -1.686 11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 51 86.874 -4.597 12.435 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.076 -3.745 11.487 1.00 0.00 H new ATOM 827 N ASP A 52 88.696 -4.109 14.212 1.00 0.00 N ATOM 828 CA ASP A 52 89.405 -3.821 15.453 1.00 0.00 C ATOM 829 C ASP A 52 90.885 -3.536 15.170 1.00 0.00 C ATOM 830 O ASP A 52 91.577 -4.372 14.590 1.00 0.00 O ATOM 831 CB ASP A 52 89.285 -5.008 16.408 1.00 0.00 C ATOM 832 CG ASP A 52 89.815 -4.620 17.784 1.00 0.00 C ATOM 833 OD1 ASP A 52 90.896 -4.058 17.844 1.00 0.00 O ATOM 834 OD2 ASP A 52 89.132 -4.889 18.758 1.00 0.00 O ATOM 0 H ASP A 52 88.765 -5.079 13.903 1.00 0.00 H new ATOM 0 HA ASP A 52 88.957 -2.940 15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 52 88.244 -5.321 16.484 1.00 0.00 H new ATOM 0 HB3 ASP A 52 89.846 -5.858 16.019 1.00 0.00 H new ATOM 839 N PRO A 53 91.382 -2.381 15.549 1.00 0.00 N ATOM 840 CA PRO A 53 92.808 -2.002 15.306 1.00 0.00 C ATOM 841 C PRO A 53 93.780 -2.953 15.990 1.00 0.00 C ATOM 842 O PRO A 53 94.946 -3.040 15.609 1.00 0.00 O ATOM 843 CB PRO A 53 92.928 -0.577 15.865 1.00 0.00 C ATOM 844 CG PRO A 53 91.764 -0.404 16.785 1.00 0.00 C ATOM 845 CD PRO A 53 90.655 -1.314 16.260 1.00 0.00 C ATOM 0 HA PRO A 53 93.065 -2.056 14.248 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.870 -0.443 16.396 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.906 0.161 15.063 1.00 0.00 H new ATOM 0 HG2 PRO A 53 92.034 -0.672 17.806 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.436 0.635 16.804 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.049 -1.716 17.072 1.00 0.00 H new ATOM 0 HD3 PRO A 53 89.979 -0.778 15.594 1.00 0.00 H new ATOM 853 N GLN A 54 93.302 -3.652 17.010 1.00 0.00 N ATOM 854 CA GLN A 54 94.160 -4.574 17.738 1.00 0.00 C ATOM 855 C GLN A 54 94.344 -5.889 16.981 1.00 0.00 C ATOM 856 O GLN A 54 95.339 -6.587 17.180 1.00 0.00 O ATOM 857 CB GLN A 54 93.575 -4.861 19.122 1.00 0.00 C ATOM 858 CG GLN A 54 93.559 -3.573 19.946 1.00 0.00 C ATOM 859 CD GLN A 54 92.757 -3.785 21.224 1.00 0.00 C ATOM 860 OE1 GLN A 54 92.294 -4.972 21.502 1.00 0.00 O flip ATOM 861 NE2 GLN A 54 92.546 -2.843 21.988 1.00 0.00 N flip ATOM 0 H GLN A 54 92.341 -3.600 17.348 1.00 0.00 H new ATOM 0 HA GLN A 54 95.136 -4.100 17.842 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.564 -5.257 19.026 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.168 -5.622 19.629 1.00 0.00 H new ATOM 0 HG2 GLN A 54 94.578 -3.275 20.191 1.00 0.00 H new ATOM 0 HG3 GLN A 54 93.122 -2.763 19.362 1.00 0.00 H new ATOM 0 HE21 GLN A 54 92.910 -1.916 21.767 1.00 0.00 H new ATOM 0 HE22 GLN A 54 92.007 -2.990 22.842 1.00 0.00 H new ATOM 870 N ARG A 55 93.395 -6.226 16.109 1.00 0.00 N ATOM 871 CA ARG A 55 93.498 -7.466 15.338 1.00 0.00 C ATOM 872 C ARG A 55 94.163 -7.190 13.991 1.00 0.00 C ATOM 873 O ARG A 55 94.104 -6.076 13.479 1.00 0.00 O ATOM 874 CB ARG A 55 92.104 -8.080 15.121 1.00 0.00 C ATOM 875 CG ARG A 55 91.750 -9.043 16.272 1.00 0.00 C ATOM 876 CD ARG A 55 90.721 -8.392 17.199 1.00 0.00 C ATOM 877 NE ARG A 55 89.401 -8.420 16.579 1.00 0.00 N ATOM 878 CZ ARG A 55 88.362 -7.815 17.147 1.00 0.00 C ATOM 879 NH1 ARG A 55 88.512 -7.186 18.279 1.00 0.00 N ATOM 880 NH2 ARG A 55 87.192 -7.851 16.570 1.00 0.00 N ATOM 0 H ARG A 55 92.561 -5.671 15.920 1.00 0.00 H new ATOM 0 HA ARG A 55 94.108 -8.175 15.898 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.357 -7.288 15.060 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.080 -8.615 14.172 1.00 0.00 H new ATOM 0 HG2 ARG A 55 91.351 -9.974 15.869 1.00 0.00 H new ATOM 0 HG3 ARG A 55 92.649 -9.298 16.834 1.00 0.00 H new ATOM 0 HD2 ARG A 55 90.695 -8.919 18.153 1.00 0.00 H new ATOM 0 HD3 ARG A 55 91.010 -7.363 17.411 1.00 0.00 H new ATOM 0 HE ARG A 55 89.273 -8.912 15.695 1.00 0.00 H new ATOM 0 HH11 ARG A 55 89.427 -7.158 18.729 1.00 0.00 H new ATOM 0 HH12 ARG A 55 87.715 -6.722 18.714 1.00 0.00 H new ATOM 0 HH21 ARG A 55 87.075 -8.343 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 55 86.394 -7.387 17.005 1.00 0.00 H new ATOM 894 N PRO A 56 94.808 -8.177 13.425 1.00 0.00 N ATOM 895 CA PRO A 56 95.522 -8.033 12.120 1.00 0.00 C ATOM 896 C PRO A 56 94.584 -7.754 10.946 1.00 0.00 C ATOM 897 O PRO A 56 93.382 -8.009 11.009 1.00 0.00 O ATOM 898 CB PRO A 56 96.256 -9.370 11.946 1.00 0.00 C ATOM 899 CG PRO A 56 95.510 -10.343 12.801 1.00 0.00 C ATOM 900 CD PRO A 56 94.932 -9.542 13.966 1.00 0.00 C ATOM 0 HA PRO A 56 96.193 -7.174 12.129 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.258 -9.685 10.902 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.298 -9.290 12.257 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.717 -10.830 12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.172 -11.130 13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 56 93.966 -9.936 14.283 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.589 -9.570 14.836 1.00 0.00 H new ATOM 908 N PHE A 57 95.171 -7.230 9.872 1.00 0.00 N ATOM 909 CA PHE A 57 94.435 -6.905 8.654 1.00 0.00 C ATOM 910 C PHE A 57 95.175 -7.491 7.450 1.00 0.00 C ATOM 911 O PHE A 57 96.387 -7.685 7.513 1.00 0.00 O ATOM 912 CB PHE A 57 94.366 -5.380 8.483 1.00 0.00 C ATOM 913 CG PHE A 57 93.637 -4.750 9.650 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.278 -4.606 10.887 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.320 -4.300 9.493 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.601 -4.015 11.963 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.643 -3.712 10.567 1.00 0.00 C ATOM 918 CZ PHE A 57 92.283 -3.568 11.802 1.00 0.00 C ATOM 0 H PHE A 57 96.168 -7.019 9.822 1.00 0.00 H new ATOM 0 HA PHE A 57 93.429 -7.318 8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.373 -4.970 8.411 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.855 -5.135 7.552 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.294 -4.950 11.012 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.825 -4.407 8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.096 -3.904 12.917 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.626 -3.369 10.442 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.762 -3.113 12.631 1.00 0.00 H new ATOM 928 N GLU A 58 94.468 -7.754 6.350 1.00 0.00 N ATOM 929 CA GLU A 58 95.129 -8.292 5.153 1.00 0.00 C ATOM 930 C GLU A 58 94.866 -7.367 3.971 1.00 0.00 C ATOM 931 O GLU A 58 93.766 -6.856 3.826 1.00 0.00 O ATOM 932 CB GLU A 58 94.616 -9.705 4.848 1.00 0.00 C ATOM 933 CG GLU A 58 95.328 -10.722 5.750 1.00 0.00 C ATOM 934 CD GLU A 58 96.599 -11.230 5.075 1.00 0.00 C ATOM 935 OE1 GLU A 58 96.993 -10.648 4.077 1.00 0.00 O ATOM 936 OE2 GLU A 58 97.159 -12.197 5.565 1.00 0.00 O ATOM 0 H GLU A 58 93.462 -7.609 6.259 1.00 0.00 H new ATOM 0 HA GLU A 58 96.203 -8.350 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.539 -9.754 5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 94.793 -9.948 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 58 95.575 -10.260 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.662 -11.558 5.963 1.00 0.00 H new ATOM 943 N ALA A 59 95.880 -7.118 3.149 1.00 0.00 N ATOM 944 CA ALA A 59 95.725 -6.214 2.013 1.00 0.00 C ATOM 945 C ALA A 59 95.990 -6.909 0.688 1.00 0.00 C ATOM 946 O ALA A 59 96.958 -7.655 0.541 1.00 0.00 O ATOM 947 CB ALA A 59 96.719 -5.053 2.152 1.00 0.00 C ATOM 0 H ALA A 59 96.810 -7.525 3.246 1.00 0.00 H new ATOM 0 HA ALA A 59 94.695 -5.859 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.607 -4.375 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.521 -4.513 3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.736 -5.445 2.171 1.00 0.00 H new ATOM 953 N ARG A 60 95.141 -6.614 -0.285 1.00 0.00 N ATOM 954 CA ARG A 60 95.292 -7.162 -1.625 1.00 0.00 C ATOM 955 C ARG A 60 95.356 -6.014 -2.619 1.00 0.00 C ATOM 956 O ARG A 60 94.495 -5.134 -2.609 1.00 0.00 O ATOM 957 CB ARG A 60 94.097 -8.060 -1.965 1.00 0.00 C ATOM 958 CG ARG A 60 94.286 -9.443 -1.331 1.00 0.00 C ATOM 959 CD ARG A 60 93.385 -10.458 -2.035 1.00 0.00 C ATOM 960 NE ARG A 60 93.754 -11.811 -1.642 1.00 0.00 N ATOM 961 CZ ARG A 60 93.486 -12.268 -0.424 1.00 0.00 C ATOM 962 NH1 ARG A 60 92.874 -11.502 0.437 1.00 0.00 N ATOM 963 NH2 ARG A 60 93.833 -13.479 -0.090 1.00 0.00 N ATOM 0 H ARG A 60 94.338 -5.996 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 60 96.205 -7.755 -1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.175 -7.606 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.000 -8.156 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.329 -9.751 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 60 94.045 -9.403 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 60 92.342 -10.269 -1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.474 -10.348 -3.116 1.00 0.00 H new ATOM 0 HE ARG A 60 94.226 -12.417 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.603 -10.555 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 60 92.667 -11.851 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 60 94.311 -14.077 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 60 93.627 -13.829 0.846 1.00 0.00 H new ATOM 977 N LEU A 61 96.375 -6.010 -3.468 1.00 0.00 N ATOM 978 CA LEU A 61 96.524 -4.933 -4.449 1.00 0.00 C ATOM 979 C LEU A 61 96.336 -5.465 -5.862 1.00 0.00 C ATOM 980 O LEU A 61 96.701 -6.600 -6.166 1.00 0.00 O ATOM 981 CB LEU A 61 97.909 -4.268 -4.330 1.00 0.00 C ATOM 982 CG LEU A 61 98.751 -4.962 -3.254 1.00 0.00 C ATOM 983 CD1 LEU A 61 100.222 -4.590 -3.449 1.00 0.00 C ATOM 984 CD2 LEU A 61 98.287 -4.506 -1.865 1.00 0.00 C ATOM 0 H LEU A 61 97.101 -6.725 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 61 95.756 -4.188 -4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.425 -4.315 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 61 97.792 -3.213 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 61 98.632 -6.042 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.826 -5.081 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.551 -4.914 -4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.338 -3.510 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.887 -5.000 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 61 98.407 -3.426 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 61 97.238 -4.767 -1.728 1.00 0.00 H new ATOM 996 N TYR A 62 95.771 -4.625 -6.724 1.00 0.00 N ATOM 997 CA TYR A 62 95.541 -5.003 -8.112 1.00 0.00 C ATOM 998 C TYR A 62 96.207 -3.999 -9.048 1.00 0.00 C ATOM 999 O TYR A 62 95.753 -2.859 -9.182 1.00 0.00 O ATOM 1000 CB TYR A 62 94.039 -5.060 -8.402 1.00 0.00 C ATOM 1001 CG TYR A 62 93.359 -5.942 -7.382 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.123 -5.463 -6.086 1.00 0.00 C ATOM 1003 CD2 TYR A 62 92.960 -7.237 -7.733 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.487 -6.282 -5.143 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.325 -8.055 -6.790 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.089 -7.577 -5.496 1.00 0.00 C ATOM 1007 OH TYR A 62 91.464 -8.382 -4.566 1.00 0.00 O ATOM 0 H TYR A 62 95.465 -3.681 -6.486 1.00 0.00 H new ATOM 0 HA TYR A 62 95.974 -5.989 -8.280 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.614 -4.057 -8.371 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.867 -5.448 -9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.431 -4.464 -5.814 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.142 -7.606 -8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.304 -5.914 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.018 -9.054 -7.061 1.00 0.00 H new ATOM 0 HH TYR A 62 91.253 -9.248 -4.973 1.00 0.00 H new ATOM 1017 N LEU A 63 97.284 -4.438 -9.699 1.00 0.00 N ATOM 1018 CA LEU A 63 98.014 -3.586 -10.634 1.00 0.00 C ATOM 1019 C LEU A 63 97.659 -3.986 -12.063 1.00 0.00 C ATOM 1020 O LEU A 63 96.734 -3.432 -12.657 1.00 0.00 O ATOM 1021 CB LEU A 63 99.525 -3.719 -10.391 1.00 0.00 C ATOM 1022 CG LEU A 63 100.238 -2.443 -10.850 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.744 -2.596 -10.631 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.959 -2.206 -12.337 1.00 0.00 C ATOM 0 H LEU A 63 97.669 -5.377 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 63 97.733 -2.544 -10.480 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.719 -3.894 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.916 -4.580 -10.933 1.00 0.00 H new ATOM 0 HG LEU A 63 99.870 -1.594 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 63 102.253 -1.689 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.943 -2.763 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 102.111 -3.445 -11.207 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.467 -1.298 -12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.326 -3.054 -12.916 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.886 -2.097 -12.493 1.00 0.00 H new ATOM 1036 N GLY A 64 98.372 -4.968 -12.602 1.00 0.00 N ATOM 1037 CA GLY A 64 98.086 -5.445 -13.947 1.00 0.00 C ATOM 1038 C GLY A 64 96.812 -6.278 -13.921 1.00 0.00 C ATOM 1039 O GLY A 64 96.264 -6.538 -12.849 1.00 0.00 O ATOM 0 H GLY A 64 99.143 -5.444 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.970 -4.602 -14.628 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.918 -6.043 -14.319 1.00 0.00 H new ATOM 1043 N LEU A 65 96.331 -6.696 -15.083 1.00 0.00 N ATOM 1044 CA LEU A 65 95.112 -7.493 -15.121 1.00 0.00 C ATOM 1045 C LEU A 65 95.385 -8.892 -14.574 1.00 0.00 C ATOM 1046 O LEU A 65 94.518 -9.508 -13.955 1.00 0.00 O ATOM 1047 CB LEU A 65 94.574 -7.581 -16.551 1.00 0.00 C ATOM 1048 CG LEU A 65 93.838 -6.287 -16.907 1.00 0.00 C ATOM 1049 CD1 LEU A 65 94.748 -5.086 -16.643 1.00 0.00 C ATOM 1050 CD2 LEU A 65 93.452 -6.318 -18.388 1.00 0.00 C ATOM 0 H LEU A 65 96.753 -6.503 -15.991 1.00 0.00 H new ATOM 0 HA LEU A 65 94.360 -7.009 -14.498 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.395 -7.747 -17.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.899 -8.432 -16.644 1.00 0.00 H new ATOM 0 HG LEU A 65 92.941 -6.199 -16.294 1.00 0.00 H new ATOM 0 HD11 LEU A 65 94.220 -4.167 -16.898 1.00 0.00 H new ATOM 0 HD12 LEU A 65 95.026 -5.065 -15.589 1.00 0.00 H new ATOM 0 HD13 LEU A 65 95.647 -5.169 -17.254 1.00 0.00 H new ATOM 0 HD21 LEU A 65 92.927 -5.398 -18.647 1.00 0.00 H new ATOM 0 HD22 LEU A 65 94.352 -6.406 -18.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 92.802 -7.172 -18.577 1.00 0.00 H new ATOM 1062 N ASP A 66 96.598 -9.383 -14.808 1.00 0.00 N ATOM 1063 CA ASP A 66 97.023 -10.702 -14.354 1.00 0.00 C ATOM 1064 C ASP A 66 97.915 -10.592 -13.120 1.00 0.00 C ATOM 1065 O ASP A 66 98.533 -11.573 -12.706 1.00 0.00 O ATOM 1066 CB ASP A 66 97.839 -11.353 -15.472 1.00 0.00 C ATOM 1067 CG ASP A 66 97.081 -11.254 -16.791 1.00 0.00 C ATOM 1068 OD1 ASP A 66 97.181 -10.221 -17.433 1.00 0.00 O ATOM 1069 OD2 ASP A 66 96.411 -12.212 -17.140 1.00 0.00 O ATOM 0 H ASP A 66 97.318 -8.874 -15.321 1.00 0.00 H new ATOM 0 HA ASP A 66 96.140 -11.291 -14.104 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.808 -10.861 -15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 66 98.033 -12.398 -15.231 1.00 0.00 H new ATOM 1074 N VAL A 67 98.001 -9.391 -12.549 1.00 0.00 N ATOM 1075 CA VAL A 67 98.852 -9.173 -11.376 1.00 0.00 C ATOM 1076 C VAL A 67 98.034 -8.987 -10.103 1.00 0.00 C ATOM 1077 O VAL A 67 97.547 -7.893 -9.811 1.00 0.00 O ATOM 1078 CB VAL A 67 99.751 -7.950 -11.601 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.330 -7.476 -10.264 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.902 -8.330 -12.539 1.00 0.00 C ATOM 0 H VAL A 67 97.500 -8.563 -12.873 1.00 0.00 H new ATOM 0 HA VAL A 67 99.467 -10.064 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 67 99.160 -7.149 -12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.967 -6.608 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.517 -7.205 -9.591 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.919 -8.278 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.542 -7.462 -12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.486 -9.134 -12.091 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.498 -8.665 -13.494 1.00 0.00 H new ATOM 1090 N LEU A 68 97.919 -10.068 -9.340 1.00 0.00 N ATOM 1091 CA LEU A 68 97.196 -10.047 -8.076 1.00 0.00 C ATOM 1092 C LEU A 68 98.189 -10.279 -6.940 1.00 0.00 C ATOM 1093 O LEU A 68 98.836 -11.325 -6.878 1.00 0.00 O ATOM 1094 CB LEU A 68 96.120 -11.144 -8.084 1.00 0.00 C ATOM 1095 CG LEU A 68 95.782 -11.575 -6.653 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.347 -10.355 -5.830 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.646 -12.601 -6.693 1.00 0.00 C ATOM 0 H LEU A 68 98.320 -10.975 -9.578 1.00 0.00 H new ATOM 0 HA LEU A 68 96.707 -9.083 -7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.222 -10.777 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.472 -12.003 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 68 96.663 -12.020 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.108 -10.668 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.157 -9.626 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.467 -9.903 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.401 -12.912 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.768 -12.153 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 68 94.960 -13.469 -7.272 1.00 0.00 H new ATOM 1109 N ILE A 69 98.324 -9.296 -6.054 1.00 0.00 N ATOM 1110 CA ILE A 69 99.265 -9.410 -4.939 1.00 0.00 C ATOM 1111 C ILE A 69 98.530 -9.505 -3.603 1.00 0.00 C ATOM 1112 O ILE A 69 97.496 -8.868 -3.403 1.00 0.00 O ATOM 1113 CB ILE A 69 100.211 -8.204 -4.952 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.137 -8.297 -6.183 1.00 0.00 C ATOM 1115 CG2 ILE A 69 101.056 -8.182 -3.668 1.00 0.00 C ATOM 1116 CD1 ILE A 69 101.008 -7.029 -7.030 1.00 0.00 C ATOM 0 H ILE A 69 97.801 -8.421 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 69 99.844 -10.326 -5.058 1.00 0.00 H new ATOM 0 HB ILE A 69 99.624 -7.287 -5.003 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.171 -8.427 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.876 -9.171 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.725 -7.321 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.399 -8.112 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.644 -9.097 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.665 -7.102 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.976 -6.918 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.291 -6.162 -6.433 1.00 0.00 H new ATOM 1128 N ARG A 70 99.090 -10.298 -2.687 1.00 0.00 N ATOM 1129 CA ARG A 70 98.502 -10.471 -1.356 1.00 0.00 C ATOM 1130 C ARG A 70 99.548 -10.224 -0.267 1.00 0.00 C ATOM 1131 O ARG A 70 100.656 -10.772 -0.314 1.00 0.00 O ATOM 1132 CB ARG A 70 97.926 -11.884 -1.208 1.00 0.00 C ATOM 1133 CG ARG A 70 97.145 -12.269 -2.471 1.00 0.00 C ATOM 1134 CD ARG A 70 96.855 -13.779 -2.472 1.00 0.00 C ATOM 1135 NE ARG A 70 95.418 -14.020 -2.428 1.00 0.00 N ATOM 1136 CZ ARG A 70 94.913 -15.213 -2.726 1.00 0.00 C ATOM 1137 NH1 ARG A 70 95.707 -16.188 -3.071 1.00 0.00 N ATOM 1138 NH2 ARG A 70 93.624 -15.409 -2.673 1.00 0.00 N ATOM 0 H ARG A 70 99.947 -10.829 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 70 97.698 -9.743 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 70 98.732 -12.598 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 70 97.271 -11.929 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 70 96.210 -11.711 -2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 70 97.718 -12.000 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 70 97.280 -14.237 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 70 97.336 -14.249 -1.614 1.00 0.00 H new ATOM 0 HE ARG A 70 94.790 -13.261 -2.164 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.715 -16.035 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 70 95.321 -17.104 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 70 93.003 -14.646 -2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 70 93.238 -16.325 -2.902 1.00 0.00 H new ATOM 1152 N MET A 71 99.184 -9.406 0.720 1.00 0.00 N ATOM 1153 CA MET A 71 100.088 -9.095 1.824 1.00 0.00 C ATOM 1154 C MET A 71 99.314 -9.053 3.138 1.00 0.00 C ATOM 1155 O MET A 71 98.145 -8.672 3.163 1.00 0.00 O ATOM 1156 CB MET A 71 100.769 -7.729 1.610 1.00 0.00 C ATOM 1157 CG MET A 71 101.010 -7.459 0.118 1.00 0.00 C ATOM 1158 SD MET A 71 101.237 -5.678 -0.142 1.00 0.00 S ATOM 1159 CE MET A 71 102.369 -5.354 1.234 1.00 0.00 C ATOM 0 H MET A 71 98.274 -8.949 0.777 1.00 0.00 H new ATOM 0 HA MET A 71 100.849 -9.874 1.861 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.146 -6.939 2.030 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.718 -7.705 2.145 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.891 -8.003 -0.224 1.00 0.00 H new ATOM 0 HG3 MET A 71 100.165 -7.819 -0.469 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.942 -4.450 1.028 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.797 -5.220 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 71 103.050 -6.197 1.351 1.00 0.00 H new ATOM 1169 N GLU A 72 99.982 -9.409 4.230 1.00 0.00 N ATOM 1170 CA GLU A 72 99.352 -9.364 5.545 1.00 0.00 C ATOM 1171 C GLU A 72 99.901 -8.159 6.284 1.00 0.00 C ATOM 1172 O GLU A 72 101.111 -7.932 6.272 1.00 0.00 O ATOM 1173 CB GLU A 72 99.646 -10.640 6.336 1.00 0.00 C ATOM 1174 CG GLU A 72 98.871 -10.608 7.658 1.00 0.00 C ATOM 1175 CD GLU A 72 98.732 -12.020 8.220 1.00 0.00 C ATOM 1176 OE1 GLU A 72 98.399 -12.910 7.455 1.00 0.00 O ATOM 1177 OE2 GLU A 72 98.960 -12.189 9.406 1.00 0.00 O ATOM 0 H GLU A 72 100.950 -9.729 4.232 1.00 0.00 H new ATOM 0 HA GLU A 72 98.271 -9.287 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 72 99.359 -11.516 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.715 -10.723 6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 72 99.388 -9.972 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 72 97.884 -10.173 7.499 1.00 0.00 H new ATOM 1184 N ILE A 73 99.034 -7.356 6.888 1.00 0.00 N ATOM 1185 CA ILE A 73 99.515 -6.157 7.562 1.00 0.00 C ATOM 1186 C ILE A 73 98.774 -5.858 8.862 1.00 0.00 C ATOM 1187 O ILE A 73 97.639 -6.287 9.068 1.00 0.00 O ATOM 1188 CB ILE A 73 99.343 -4.974 6.610 1.00 0.00 C ATOM 1189 CG1 ILE A 73 97.873 -4.521 6.625 1.00 0.00 C ATOM 1190 CG2 ILE A 73 99.737 -5.404 5.195 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.555 -3.663 5.395 1.00 0.00 C ATOM 0 H ILE A 73 98.026 -7.505 6.926 1.00 0.00 H new ATOM 0 HA ILE A 73 100.560 -6.323 7.825 1.00 0.00 H new ATOM 0 HB ILE A 73 99.979 -4.148 6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.219 -5.393 6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.672 -3.952 7.533 1.00 0.00 H new ATOM 0 HG21 ILE A 73 99.616 -4.563 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 73 100.778 -5.729 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.099 -6.227 4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.510 -3.354 5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.194 -2.780 5.392 1.00 0.00 H new ATOM 0 HD13 ILE A 73 97.734 -4.244 4.490 1.00 0.00 H new ATOM 1203 N SER A 74 99.432 -5.082 9.717 1.00 0.00 N ATOM 1204 CA SER A 74 98.859 -4.665 10.996 1.00 0.00 C ATOM 1205 C SER A 74 98.755 -3.143 11.027 1.00 0.00 C ATOM 1206 O SER A 74 99.555 -2.444 10.404 1.00 0.00 O ATOM 1207 CB SER A 74 99.731 -5.153 12.158 1.00 0.00 C ATOM 1208 OG SER A 74 101.076 -5.276 11.717 1.00 0.00 O ATOM 0 H SER A 74 100.372 -4.725 9.546 1.00 0.00 H new ATOM 0 HA SER A 74 97.867 -5.103 11.103 1.00 0.00 H new ATOM 0 HB2 SER A 74 99.672 -4.452 12.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.367 -6.113 12.523 1.00 0.00 H new ATOM 0 HG SER A 74 101.268 -6.215 11.511 1.00 0.00 H new ATOM 1214 N LEU A 75 97.754 -2.634 11.739 1.00 0.00 N ATOM 1215 CA LEU A 75 97.548 -1.192 11.820 1.00 0.00 C ATOM 1216 C LEU A 75 98.711 -0.535 12.551 1.00 0.00 C ATOM 1217 O LEU A 75 99.006 -0.858 13.702 1.00 0.00 O ATOM 1218 CB LEU A 75 96.227 -0.887 12.532 1.00 0.00 C ATOM 1219 CG LEU A 75 95.860 0.587 12.333 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.373 0.820 10.900 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.750 0.971 13.312 1.00 0.00 C ATOM 0 H LEU A 75 97.079 -3.192 12.263 1.00 0.00 H new ATOM 0 HA LEU A 75 97.500 -0.786 10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.435 -1.525 12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.317 -1.109 13.595 1.00 0.00 H new ATOM 0 HG LEU A 75 96.743 1.200 12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 75 95.115 1.871 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.163 0.551 10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.494 0.204 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.488 2.020 13.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.873 0.350 13.129 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.097 0.817 14.334 1.00 0.00 H new ATOM 1233 N ALA A 76 99.346 0.418 11.869 1.00 0.00 N ATOM 1234 CA ALA A 76 100.458 1.163 12.446 1.00 0.00 C ATOM 1235 C ALA A 76 99.994 2.519 12.995 1.00 0.00 C ATOM 1236 O ALA A 76 100.384 2.926 14.089 1.00 0.00 O ATOM 1237 CB ALA A 76 101.569 1.333 11.414 1.00 0.00 C ATOM 0 H ALA A 76 99.107 0.690 10.916 1.00 0.00 H new ATOM 0 HA ALA A 76 100.855 0.594 13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.394 1.891 11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.923 0.352 11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.184 1.877 10.551 1.00 0.00 H new ATOM 1243 N TRP A 77 99.169 3.215 12.211 1.00 0.00 N ATOM 1244 CA TRP A 77 98.663 4.537 12.606 1.00 0.00 C ATOM 1245 C TRP A 77 97.490 4.950 11.710 1.00 0.00 C ATOM 1246 O TRP A 77 97.236 4.324 10.679 1.00 0.00 O ATOM 1247 CB TRP A 77 99.784 5.576 12.451 1.00 0.00 C ATOM 1248 CG TRP A 77 100.169 5.599 11.012 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.167 4.871 10.467 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.573 6.361 9.920 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.166 5.068 9.103 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.227 6.005 8.721 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.528 7.300 9.847 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.867 6.560 7.493 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.162 7.864 8.613 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.835 7.498 7.437 1.00 0.00 C ATOM 0 H TRP A 77 98.837 2.890 11.303 1.00 0.00 H new ATOM 0 HA TRP A 77 98.328 4.487 13.642 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.444 6.560 12.774 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.639 5.315 13.074 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.853 4.238 11.011 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.784 4.581 8.454 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.003 7.589 10.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.384 6.266 6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.358 8.584 8.569 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.555 7.941 6.492 1.00 0.00 H new ATOM 1267 N ALA A 78 96.801 6.025 12.092 1.00 0.00 N ATOM 1268 CA ALA A 78 95.683 6.541 11.299 1.00 0.00 C ATOM 1269 C ALA A 78 95.598 8.056 11.466 1.00 0.00 C ATOM 1270 O ALA A 78 95.488 8.547 12.590 1.00 0.00 O ATOM 1271 CB ALA A 78 94.377 5.916 11.798 1.00 0.00 C ATOM 0 H ALA A 78 96.995 6.554 12.942 1.00 0.00 H new ATOM 0 HA ALA A 78 95.839 6.292 10.249 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.543 6.298 11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.429 4.832 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.229 6.172 12.847 1.00 0.00 H new ATOM 1277 N ARG A 79 95.647 8.804 10.362 1.00 0.00 N ATOM 1278 CA ARG A 79 95.570 10.261 10.468 1.00 0.00 C ATOM 1279 C ARG A 79 94.976 10.918 9.215 1.00 0.00 C ATOM 1280 O ARG A 79 95.398 10.632 8.094 1.00 0.00 O ATOM 1281 CB ARG A 79 96.970 10.819 10.760 1.00 0.00 C ATOM 1282 CG ARG A 79 96.918 12.336 10.977 1.00 0.00 C ATOM 1283 CD ARG A 79 98.319 12.851 11.322 1.00 0.00 C ATOM 1284 NE ARG A 79 98.439 14.261 10.971 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.624 14.807 10.714 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.706 14.079 10.777 1.00 0.00 N ATOM 1287 NH2 ARG A 79 99.707 16.071 10.399 1.00 0.00 N ATOM 0 H ARG A 79 95.737 8.440 9.413 1.00 0.00 H new ATOM 0 HA ARG A 79 94.893 10.501 11.288 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.382 10.335 11.645 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.638 10.589 9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.548 12.830 10.079 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.223 12.575 11.781 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.512 12.716 12.386 1.00 0.00 H new ATOM 0 HD3 ARG A 79 99.070 12.270 10.786 1.00 0.00 H new ATOM 0 HE ARG A 79 97.600 14.839 10.922 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.642 13.091 11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.615 14.498 10.580 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.862 16.641 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 79 100.616 16.489 10.202 1.00 0.00 H new ATOM 1301 N ASP A 80 94.039 11.847 9.424 1.00 0.00 N ATOM 1302 CA ASP A 80 93.441 12.598 8.318 1.00 0.00 C ATOM 1303 C ASP A 80 92.785 11.722 7.254 1.00 0.00 C ATOM 1304 O ASP A 80 92.973 11.959 6.061 1.00 0.00 O ATOM 1305 CB ASP A 80 94.512 13.465 7.655 1.00 0.00 C ATOM 1306 CG ASP A 80 93.866 14.409 6.646 1.00 0.00 C ATOM 1307 OD1 ASP A 80 92.721 14.774 6.854 1.00 0.00 O ATOM 1308 OD2 ASP A 80 94.527 14.754 5.679 1.00 0.00 O ATOM 0 H ASP A 80 93.680 12.096 10.345 1.00 0.00 H new ATOM 0 HA ASP A 80 92.649 13.205 8.756 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.047 14.039 8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 80 95.246 12.833 7.156 1.00 0.00 H new ATOM 1313 N GLY A 81 91.977 10.751 7.664 1.00 0.00 N ATOM 1314 CA GLY A 81 91.273 9.917 6.694 1.00 0.00 C ATOM 1315 C GLY A 81 92.125 8.775 6.161 1.00 0.00 C ATOM 1316 O GLY A 81 91.589 7.750 5.737 1.00 0.00 O ATOM 0 H GLY A 81 91.794 10.523 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.376 9.507 7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 81 90.945 10.538 5.860 1.00 0.00 H new ATOM 1320 N LEU A 82 93.443 8.939 6.155 1.00 0.00 N ATOM 1321 CA LEU A 82 94.311 7.890 5.638 1.00 0.00 C ATOM 1322 C LEU A 82 94.705 6.918 6.744 1.00 0.00 C ATOM 1323 O LEU A 82 94.585 7.225 7.929 1.00 0.00 O ATOM 1324 CB LEU A 82 95.564 8.509 5.019 1.00 0.00 C ATOM 1325 CG LEU A 82 95.199 9.819 4.320 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.427 10.365 3.590 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.078 9.561 3.309 1.00 0.00 C ATOM 0 H LEU A 82 93.926 9.771 6.495 1.00 0.00 H new ATOM 0 HA LEU A 82 93.765 7.338 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.310 8.693 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.009 7.816 4.305 1.00 0.00 H new ATOM 0 HG LEU A 82 94.862 10.545 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.168 11.299 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.226 10.547 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.763 9.639 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 82 93.816 10.494 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.415 8.836 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.203 9.170 3.828 1.00 0.00 H new ATOM 1339 N LEU A 83 95.164 5.738 6.340 1.00 0.00 N ATOM 1340 CA LEU A 83 95.562 4.707 7.290 1.00 0.00 C ATOM 1341 C LEU A 83 96.885 4.077 6.894 1.00 0.00 C ATOM 1342 O LEU A 83 97.090 3.747 5.726 1.00 0.00 O ATOM 1343 CB LEU A 83 94.518 3.587 7.262 1.00 0.00 C ATOM 1344 CG LEU A 83 93.121 4.157 7.508 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.086 3.067 7.223 1.00 0.00 C ATOM 1346 CD2 LEU A 83 92.995 4.616 8.968 1.00 0.00 C ATOM 0 H LEU A 83 95.269 5.472 5.361 1.00 0.00 H new ATOM 0 HA LEU A 83 95.650 5.170 8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.546 3.079 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.753 2.842 8.022 1.00 0.00 H new ATOM 0 HG LEU A 83 92.952 5.011 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.085 3.462 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.175 2.743 6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.260 2.218 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.997 5.021 9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.159 3.767 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.739 5.386 9.173 1.00 0.00 H new ATOM 1358 N GLY A 84 97.774 3.881 7.857 1.00 0.00 N ATOM 1359 CA GLY A 84 99.052 3.254 7.566 1.00 0.00 C ATOM 1360 C GLY A 84 99.026 1.808 8.014 1.00 0.00 C ATOM 1361 O GLY A 84 98.276 1.441 8.918 1.00 0.00 O ATOM 0 H GLY A 84 97.636 4.143 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.260 3.310 6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.854 3.788 8.075 1.00 0.00 H new ATOM 1365 N PHE A 85 99.840 0.990 7.377 1.00 0.00 N ATOM 1366 CA PHE A 85 99.895 -0.418 7.718 1.00 0.00 C ATOM 1367 C PHE A 85 101.305 -0.954 7.558 1.00 0.00 C ATOM 1368 O PHE A 85 102.001 -0.613 6.601 1.00 0.00 O ATOM 1369 CB PHE A 85 98.944 -1.197 6.814 1.00 0.00 C ATOM 1370 CG PHE A 85 97.528 -0.965 7.269 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.060 -1.604 8.419 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.687 -0.110 6.549 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.750 -1.392 8.853 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.374 0.105 6.985 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.908 -0.536 8.137 1.00 0.00 C ATOM 0 H PHE A 85 100.469 1.273 6.625 1.00 0.00 H new ATOM 0 HA PHE A 85 99.596 -0.538 8.759 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.063 -0.877 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.180 -2.261 6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.712 -2.263 8.973 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.050 0.383 5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.388 -1.889 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.722 0.765 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.896 -0.369 8.474 1.00 0.00 H new ATOM 1385 N GLU A 86 101.723 -1.798 8.492 1.00 0.00 N ATOM 1386 CA GLU A 86 103.057 -2.377 8.434 1.00 0.00 C ATOM 1387 C GLU A 86 102.953 -3.822 7.959 1.00 0.00 C ATOM 1388 O GLU A 86 102.140 -4.592 8.470 1.00 0.00 O ATOM 1389 CB GLU A 86 103.699 -2.337 9.822 1.00 0.00 C ATOM 1390 CG GLU A 86 102.899 -3.225 10.779 1.00 0.00 C ATOM 1391 CD GLU A 86 103.268 -2.908 12.224 1.00 0.00 C ATOM 1392 OE1 GLU A 86 103.773 -1.824 12.464 1.00 0.00 O ATOM 1393 OE2 GLU A 86 103.042 -3.756 13.072 1.00 0.00 O ATOM 0 H GLU A 86 101.163 -2.094 9.291 1.00 0.00 H new ATOM 0 HA GLU A 86 103.674 -1.805 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.732 -2.681 9.767 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.724 -1.313 10.194 1.00 0.00 H new ATOM 0 HG2 GLU A 86 101.831 -3.068 10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 86 103.100 -4.275 10.567 1.00 0.00 H new ATOM 1400 N CYS A 87 103.755 -4.178 6.963 1.00 0.00 N ATOM 1401 CA CYS A 87 103.711 -5.528 6.415 1.00 0.00 C ATOM 1402 C CYS A 87 104.427 -6.525 7.321 1.00 0.00 C ATOM 1403 O CYS A 87 105.599 -6.354 7.649 1.00 0.00 O ATOM 1404 CB CYS A 87 104.353 -5.546 5.027 1.00 0.00 C ATOM 1405 SG CYS A 87 103.751 -6.979 4.101 1.00 0.00 S ATOM 0 H CYS A 87 104.436 -3.559 6.523 1.00 0.00 H new ATOM 0 HA CYS A 87 102.665 -5.825 6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.113 -4.627 4.492 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.438 -5.588 5.117 1.00 0.00 H new ATOM 0 HG CYS A 87 102.747 -7.512 4.731 1.00 0.00 H new ATOM 1411 N GLN A 88 103.707 -7.571 7.717 1.00 0.00 N ATOM 1412 CA GLN A 88 104.274 -8.602 8.580 1.00 0.00 C ATOM 1413 C GLN A 88 104.656 -9.829 7.755 1.00 0.00 C ATOM 1414 O GLN A 88 105.593 -10.551 8.097 1.00 0.00 O ATOM 1415 CB GLN A 88 103.269 -8.996 9.675 1.00 0.00 C ATOM 1416 CG GLN A 88 101.917 -8.331 9.403 1.00 0.00 C ATOM 1417 CD GLN A 88 100.970 -8.595 10.567 1.00 0.00 C ATOM 1418 OE1 GLN A 88 100.759 -7.655 11.445 1.00 0.00 O flip ATOM 1419 NE2 GLN A 88 100.407 -9.685 10.677 1.00 0.00 N flip ATOM 0 H GLN A 88 102.734 -7.727 7.455 1.00 0.00 H new ATOM 0 HA GLN A 88 105.170 -8.202 9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 88 103.153 -10.079 9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 88 103.644 -8.692 10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.050 -7.258 9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 88 101.489 -8.720 8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 88 100.575 -10.418 9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 88 99.773 -9.855 11.457 1.00 0.00 H new ATOM 1428 N HIS A 89 103.932 -10.056 6.662 1.00 0.00 N ATOM 1429 CA HIS A 89 104.221 -11.194 5.798 1.00 0.00 C ATOM 1430 C HIS A 89 103.586 -10.990 4.424 1.00 0.00 C ATOM 1431 O HIS A 89 102.483 -10.466 4.308 1.00 0.00 O ATOM 1432 CB HIS A 89 103.720 -12.496 6.453 1.00 0.00 C ATOM 1433 CG HIS A 89 102.478 -12.999 5.765 1.00 0.00 C ATOM 1434 ND1 HIS A 89 102.463 -13.344 4.422 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.207 -13.229 6.225 1.00 0.00 C ATOM 1436 CE1 HIS A 89 101.217 -13.760 4.124 1.00 0.00 C ATOM 1437 NE2 HIS A 89 100.412 -13.708 5.188 1.00 0.00 N ATOM 0 H HIS A 89 103.151 -9.475 6.357 1.00 0.00 H new ATOM 0 HA HIS A 89 105.300 -11.274 5.662 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.500 -13.256 6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 89 103.510 -12.320 7.508 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.873 -13.063 7.239 1.00 0.00 H new ATOM 0 HE1 HIS A 89 100.907 -14.094 3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 89 99.426 -13.964 5.231 1.00 0.00 H new ATOM 1445 N ILE A 90 104.304 -11.404 3.391 1.00 0.00 N ATOM 1446 CA ILE A 90 103.833 -11.267 2.017 1.00 0.00 C ATOM 1447 C ILE A 90 104.308 -12.452 1.183 1.00 0.00 C ATOM 1448 O ILE A 90 105.422 -12.948 1.352 1.00 0.00 O ATOM 1449 CB ILE A 90 104.329 -9.945 1.428 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.026 -9.893 -0.076 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.836 -9.821 1.664 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.409 -8.516 -0.629 1.00 0.00 C ATOM 0 H ILE A 90 105.222 -11.841 3.477 1.00 0.00 H new ATOM 0 HA ILE A 90 102.743 -11.259 2.006 1.00 0.00 H new ATOM 0 HB ILE A 90 103.816 -9.116 1.916 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.582 -10.673 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 90 102.967 -10.085 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.194 -8.880 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 90 106.040 -9.843 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.350 -10.652 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.194 -8.480 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.833 -7.745 -0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.473 -8.342 -0.467 1.00 0.00 H new ATOM 1464 N ASP A 91 103.425 -12.912 0.298 1.00 0.00 N ATOM 1465 CA ASP A 91 103.717 -14.064 -0.553 1.00 0.00 C ATOM 1466 C ASP A 91 105.026 -13.881 -1.326 1.00 0.00 C ATOM 1467 O ASP A 91 105.348 -12.789 -1.790 1.00 0.00 O ATOM 1468 CB ASP A 91 102.547 -14.302 -1.521 1.00 0.00 C ATOM 1469 CG ASP A 91 103.058 -14.754 -2.887 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.882 -15.654 -2.921 1.00 0.00 O ATOM 1471 OD2 ASP A 91 102.619 -14.193 -3.875 1.00 0.00 O ATOM 0 H ASP A 91 102.501 -12.504 0.152 1.00 0.00 H new ATOM 0 HA ASP A 91 103.840 -14.937 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.877 -15.057 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 91 101.967 -13.386 -1.630 1.00 0.00 H new ATOM 1476 N LEU A 92 105.773 -14.978 -1.441 1.00 0.00 N ATOM 1477 CA LEU A 92 107.054 -14.958 -2.143 1.00 0.00 C ATOM 1478 C LEU A 92 106.884 -14.401 -3.556 1.00 0.00 C ATOM 1479 O LEU A 92 107.697 -13.600 -4.018 1.00 0.00 O ATOM 1480 CB LEU A 92 107.626 -16.379 -2.223 1.00 0.00 C ATOM 1481 CG LEU A 92 109.150 -16.319 -2.393 1.00 0.00 C ATOM 1482 CD1 LEU A 92 109.821 -16.286 -1.018 1.00 0.00 C ATOM 1483 CD2 LEU A 92 109.630 -17.554 -3.159 1.00 0.00 C ATOM 0 H LEU A 92 105.514 -15.888 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 92 107.740 -14.316 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 92 107.374 -16.934 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.179 -16.914 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 92 109.413 -15.419 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.903 -16.243 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 92 109.484 -15.406 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.555 -17.185 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 92 110.712 -17.510 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 92 109.363 -18.453 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 92 109.157 -17.580 -4.141 1.00 0.00 H new ATOM 1495 N ASP A 93 105.821 -14.820 -4.234 1.00 0.00 N ATOM 1496 CA ASP A 93 105.559 -14.342 -5.585 1.00 0.00 C ATOM 1497 C ASP A 93 105.146 -12.877 -5.534 1.00 0.00 C ATOM 1498 O ASP A 93 105.511 -12.084 -6.401 1.00 0.00 O ATOM 1499 CB ASP A 93 104.452 -15.175 -6.239 1.00 0.00 C ATOM 1500 CG ASP A 93 104.543 -15.064 -7.758 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.808 -13.973 -8.238 1.00 0.00 O ATOM 1502 OD2 ASP A 93 104.347 -16.070 -8.420 1.00 0.00 O ATOM 0 H ASP A 93 105.134 -15.483 -3.874 1.00 0.00 H new ATOM 0 HA ASP A 93 106.467 -14.442 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.544 -16.218 -5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.476 -14.829 -5.899 1.00 0.00 H new ATOM 1507 N SER A 94 104.393 -12.527 -4.496 1.00 0.00 N ATOM 1508 CA SER A 94 103.942 -11.155 -4.313 1.00 0.00 C ATOM 1509 C SER A 94 105.141 -10.245 -4.079 1.00 0.00 C ATOM 1510 O SER A 94 105.182 -9.112 -4.558 1.00 0.00 O ATOM 1511 CB SER A 94 102.997 -11.079 -3.114 1.00 0.00 C ATOM 1512 OG SER A 94 101.683 -11.435 -3.525 1.00 0.00 O ATOM 0 H SER A 94 104.084 -13.174 -3.771 1.00 0.00 H new ATOM 0 HA SER A 94 103.414 -10.829 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.338 -11.750 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.999 -10.071 -2.698 1.00 0.00 H new ATOM 0 HG SER A 94 101.655 -12.391 -3.738 1.00 0.00 H new ATOM 1518 N ILE A 95 106.118 -10.760 -3.341 1.00 0.00 N ATOM 1519 CA ILE A 95 107.326 -10.003 -3.048 1.00 0.00 C ATOM 1520 C ILE A 95 108.020 -9.608 -4.341 1.00 0.00 C ATOM 1521 O ILE A 95 108.578 -8.516 -4.453 1.00 0.00 O ATOM 1522 CB ILE A 95 108.285 -10.844 -2.194 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.768 -10.904 -0.756 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.680 -10.209 -2.204 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.588 -11.915 0.055 1.00 0.00 C ATOM 0 H ILE A 95 106.096 -11.696 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 95 107.047 -9.105 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 95 108.343 -11.851 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.833 -9.918 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.716 -11.189 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.357 -10.809 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.053 -10.165 -3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.623 -9.200 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.213 -11.951 1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.500 -12.902 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.635 -11.611 0.063 1.00 0.00 H new ATOM 1537 N SER A 96 107.995 -10.512 -5.314 1.00 0.00 N ATOM 1538 CA SER A 96 108.645 -10.242 -6.586 1.00 0.00 C ATOM 1539 C SER A 96 107.881 -9.180 -7.367 1.00 0.00 C ATOM 1540 O SER A 96 108.487 -8.299 -7.976 1.00 0.00 O ATOM 1541 CB SER A 96 108.767 -11.518 -7.414 1.00 0.00 C ATOM 1542 OG SER A 96 110.085 -11.625 -7.933 1.00 0.00 O ATOM 0 H SER A 96 107.540 -11.422 -5.247 1.00 0.00 H new ATOM 0 HA SER A 96 109.647 -9.867 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.536 -12.387 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.044 -11.505 -8.230 1.00 0.00 H new ATOM 0 HG SER A 96 110.162 -12.446 -8.463 1.00 0.00 H new ATOM 1548 N HIS A 97 106.558 -9.255 -7.352 1.00 0.00 N ATOM 1549 CA HIS A 97 105.767 -8.270 -8.073 1.00 0.00 C ATOM 1550 C HIS A 97 105.989 -6.887 -7.468 1.00 0.00 C ATOM 1551 O HIS A 97 106.173 -5.908 -8.187 1.00 0.00 O ATOM 1552 CB HIS A 97 104.284 -8.626 -8.021 1.00 0.00 C ATOM 1553 CG HIS A 97 103.959 -9.690 -9.026 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.747 -9.399 -10.362 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.768 -11.041 -8.898 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.440 -10.551 -10.982 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.441 -11.585 -10.136 1.00 0.00 N ATOM 0 H HIS A 97 106.020 -9.969 -6.861 1.00 0.00 H new ATOM 0 HA HIS A 97 106.085 -8.265 -9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.023 -8.972 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.684 -7.737 -8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.858 -11.598 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.219 -10.631 -12.036 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.244 -12.562 -10.351 1.00 0.00 H new