USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 555 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 39 GLN : amide:sc= 1.07 K(o=1.9,f=-0.072) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.852 K(o=1.9,f=-0.57) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.28) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.965) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -21:sc= 1.18 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -4.74! C(o=-4.7!,f=-10!) USER MOD Single : A 47 ASN : amide:sc= -0.805 K(o=-0.8,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.52) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -1:sc= 1.13 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -2.61 K(o=-2.6,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -8.263 -11.043 1.360 1.00 53.34 N ATOM 290 CA LEU A 18 -6.986 -10.317 1.442 1.00 13.52 C ATOM 291 C LEU A 18 -6.045 -10.956 2.477 1.00 15.53 C ATOM 292 O LEU A 18 -6.491 -11.611 3.417 1.00 50.30 O ATOM 293 CB LEU A 18 -7.232 -8.844 1.801 1.00 43.03 C ATOM 294 CG LEU A 18 -8.090 -8.052 0.798 1.00 31.03 C ATOM 295 CD1 LEU A 18 -8.272 -6.607 1.259 1.00 62.44 C ATOM 296 CD2 LEU A 18 -7.471 -8.098 -0.598 1.00 4.20 C ATOM 0 HA LEU A 18 -6.508 -10.374 0.464 1.00 13.52 H new ATOM 0 HB2 LEU A 18 -7.714 -8.802 2.778 1.00 43.03 H new ATOM 0 HB3 LEU A 18 -6.267 -8.346 1.900 1.00 43.03 H new ATOM 0 HG LEU A 18 -9.073 -8.520 0.752 1.00 31.03 H new ATOM 0 HD11 LEU A 18 -8.882 -6.068 0.534 1.00 62.44 H new ATOM 0 HD12 LEU A 18 -8.767 -6.594 2.230 1.00 62.44 H new ATOM 0 HD13 LEU A 18 -7.297 -6.126 1.342 1.00 62.44 H new ATOM 0 HD21 LEU A 18 -8.094 -7.532 -1.291 1.00 4.20 H new ATOM 0 HD22 LEU A 18 -6.473 -7.662 -0.568 1.00 4.20 H new ATOM 0 HD23 LEU A 18 -7.405 -9.133 -0.933 1.00 4.20 H new ATOM 308 N SER A 19 -4.742 -10.750 2.292 1.00 64.51 N ATOM 309 CA SER A 19 -3.721 -11.299 3.200 1.00 73.03 C ATOM 310 C SER A 19 -2.947 -10.171 3.906 1.00 15.02 C ATOM 311 O SER A 19 -3.064 -9.004 3.539 1.00 21.40 O ATOM 312 CB SER A 19 -2.741 -12.192 2.422 1.00 52.31 C ATOM 313 OG SER A 19 -3.418 -13.227 1.720 1.00 72.04 O ATOM 0 H SER A 19 -4.361 -10.205 1.519 1.00 64.51 H new ATOM 0 HA SER A 19 -4.230 -11.897 3.956 1.00 73.03 H new ATOM 0 HB2 SER A 19 -2.175 -11.583 1.717 1.00 52.31 H new ATOM 0 HB3 SER A 19 -2.021 -12.631 3.113 1.00 52.31 H new ATOM 0 HG SER A 19 -2.766 -13.774 1.235 1.00 72.04 H new ATOM 319 N LEU A 20 -2.153 -10.522 4.917 1.00 11.34 N ATOM 320 CA LEU A 20 -1.309 -9.539 5.614 1.00 44.11 C ATOM 321 C LEU A 20 -0.080 -9.203 4.750 1.00 40.02 C ATOM 322 O LEU A 20 0.625 -10.100 4.283 1.00 53.13 O ATOM 323 CB LEU A 20 -0.888 -10.090 6.996 1.00 23.14 C ATOM 324 CG LEU A 20 -0.425 -9.054 8.048 1.00 41.11 C ATOM 325 CD1 LEU A 20 0.908 -8.408 7.676 1.00 33.31 C ATOM 326 CD2 LEU A 20 -1.494 -7.986 8.255 1.00 61.23 C ATOM 0 H LEU A 20 -2.073 -11.474 5.274 1.00 11.34 H new ATOM 0 HA LEU A 20 -1.875 -8.621 5.775 1.00 44.11 H new ATOM 0 HB2 LEU A 20 -1.730 -10.644 7.412 1.00 23.14 H new ATOM 0 HB3 LEU A 20 -0.080 -10.805 6.845 1.00 23.14 H new ATOM 0 HG LEU A 20 -0.274 -9.593 8.983 1.00 41.11 H new ATOM 0 HD11 LEU A 20 1.191 -7.689 8.445 1.00 33.31 H new ATOM 0 HD12 LEU A 20 1.676 -9.177 7.599 1.00 33.31 H new ATOM 0 HD13 LEU A 20 0.810 -7.896 6.719 1.00 33.31 H new ATOM 0 HD21 LEU A 20 -1.150 -7.266 8.998 1.00 61.23 H new ATOM 0 HD22 LEU A 20 -1.682 -7.472 7.312 1.00 61.23 H new ATOM 0 HD23 LEU A 20 -2.414 -8.455 8.603 1.00 61.23 H new ATOM 338 N LEU A 21 0.167 -7.913 4.528 1.00 54.25 N ATOM 339 CA LEU A 21 1.283 -7.474 3.683 1.00 21.04 C ATOM 340 C LEU A 21 2.644 -7.896 4.265 1.00 21.12 C ATOM 341 O LEU A 21 3.078 -7.389 5.300 1.00 42.44 O ATOM 342 CB LEU A 21 1.238 -5.951 3.486 1.00 71.55 C ATOM 343 CG LEU A 21 2.365 -5.360 2.624 1.00 70.52 C ATOM 344 CD1 LEU A 21 2.395 -6.001 1.236 1.00 62.13 C ATOM 345 CD2 LEU A 21 2.210 -3.847 2.507 1.00 34.02 C ATOM 0 H LEU A 21 -0.388 -7.152 4.920 1.00 54.25 H new ATOM 0 HA LEU A 21 1.173 -7.964 2.715 1.00 21.04 H new ATOM 0 HB2 LEU A 21 0.282 -5.689 3.032 1.00 71.55 H new ATOM 0 HB3 LEU A 21 1.266 -5.475 4.466 1.00 71.55 H new ATOM 0 HG LEU A 21 3.313 -5.579 3.116 1.00 70.52 H new ATOM 0 HD11 LEU A 21 3.203 -5.562 0.650 1.00 62.13 H new ATOM 0 HD12 LEU A 21 2.559 -7.074 1.334 1.00 62.13 H new ATOM 0 HD13 LEU A 21 1.444 -5.824 0.733 1.00 62.13 H new ATOM 0 HD21 LEU A 21 3.016 -3.445 1.893 1.00 34.02 H new ATOM 0 HD22 LEU A 21 1.251 -3.614 2.044 1.00 34.02 H new ATOM 0 HD23 LEU A 21 2.252 -3.399 3.500 1.00 34.02 H new ATOM 357 N GLU A 22 3.300 -8.841 3.589 1.00 73.52 N ATOM 358 CA GLU A 22 4.626 -9.326 3.995 1.00 62.42 C ATOM 359 C GLU A 22 5.629 -8.170 4.158 1.00 65.23 C ATOM 360 O GLU A 22 5.756 -7.322 3.271 1.00 54.23 O ATOM 361 CB GLU A 22 5.147 -10.331 2.955 1.00 21.54 C ATOM 362 CG GLU A 22 6.508 -10.933 3.289 1.00 4.21 C ATOM 363 CD GLU A 22 6.959 -11.956 2.256 1.00 34.14 C ATOM 364 OE1 GLU A 22 6.450 -13.096 2.280 1.00 64.24 O ATOM 365 OE2 GLU A 22 7.808 -11.618 1.402 1.00 71.11 O ATOM 0 H GLU A 22 2.933 -9.291 2.750 1.00 73.52 H new ATOM 0 HA GLU A 22 4.525 -9.815 4.964 1.00 62.42 H new ATOM 0 HB2 GLU A 22 4.422 -11.138 2.852 1.00 21.54 H new ATOM 0 HB3 GLU A 22 5.211 -9.834 1.987 1.00 21.54 H new ATOM 0 HG2 GLU A 22 7.249 -10.136 3.354 1.00 4.21 H new ATOM 0 HG3 GLU A 22 6.462 -11.407 4.270 1.00 4.21 H new ATOM 372 N SER A 23 6.348 -8.159 5.282 1.00 61.52 N ATOM 373 CA SER A 23 7.295 -7.073 5.602 1.00 52.24 C ATOM 374 C SER A 23 8.285 -6.804 4.462 1.00 74.52 C ATOM 375 O SER A 23 8.600 -5.648 4.161 1.00 25.50 O ATOM 376 CB SER A 23 8.072 -7.399 6.885 1.00 65.21 C ATOM 377 OG SER A 23 9.072 -6.423 7.146 1.00 55.32 O ATOM 0 H SER A 23 6.297 -8.889 5.992 1.00 61.52 H new ATOM 0 HA SER A 23 6.700 -6.171 5.747 1.00 52.24 H new ATOM 0 HB2 SER A 23 7.382 -7.450 7.727 1.00 65.21 H new ATOM 0 HB3 SER A 23 8.535 -8.381 6.792 1.00 65.21 H new ATOM 0 HG SER A 23 9.549 -6.656 7.970 1.00 55.32 H new ATOM 383 N LYS A 24 8.761 -7.870 3.820 1.00 12.11 N ATOM 384 CA LYS A 24 9.702 -7.748 2.702 1.00 1.32 C ATOM 385 C LYS A 24 9.113 -6.874 1.575 1.00 70.30 C ATOM 386 O LYS A 24 9.820 -6.077 0.952 1.00 12.44 O ATOM 387 CB LYS A 24 10.062 -9.142 2.169 1.00 64.30 C ATOM 388 CG LYS A 24 11.358 -9.182 1.365 1.00 1.20 C ATOM 389 CD LYS A 24 12.564 -8.764 2.210 1.00 23.20 C ATOM 390 CE LYS A 24 12.737 -9.649 3.439 1.00 73.12 C ATOM 391 NZ LYS A 24 13.856 -9.192 4.303 1.00 30.01 N ATOM 0 H LYS A 24 8.511 -8.831 4.054 1.00 12.11 H new ATOM 0 HA LYS A 24 10.607 -7.261 3.064 1.00 1.32 H new ATOM 0 HB2 LYS A 24 10.146 -9.831 3.010 1.00 64.30 H new ATOM 0 HB3 LYS A 24 9.246 -9.502 1.542 1.00 64.30 H new ATOM 0 HG2 LYS A 24 11.516 -10.189 0.980 1.00 1.20 H new ATOM 0 HG3 LYS A 24 11.271 -8.521 0.503 1.00 1.20 H new ATOM 0 HD2 LYS A 24 13.467 -8.810 1.601 1.00 23.20 H new ATOM 0 HD3 LYS A 24 12.444 -7.727 2.524 1.00 23.20 H new ATOM 0 HE2 LYS A 24 11.812 -9.653 4.016 1.00 73.12 H new ATOM 0 HE3 LYS A 24 12.920 -10.676 3.123 1.00 73.12 H new ATOM 0 HZ1 LYS A 24 13.938 -9.822 5.127 1.00 30.01 H new ATOM 0 HZ2 LYS A 24 14.744 -9.213 3.761 1.00 30.01 H new ATOM 0 HZ3 LYS A 24 13.671 -8.221 4.627 1.00 30.01 H new ATOM 405 N GLY A 25 7.819 -7.051 1.307 1.00 45.32 N ATOM 406 CA GLY A 25 7.107 -6.175 0.380 1.00 23.11 C ATOM 407 C GLY A 25 6.760 -4.819 0.999 1.00 24.33 C ATOM 408 O GLY A 25 6.781 -3.791 0.323 1.00 51.00 O ATOM 0 H GLY A 25 7.246 -7.789 1.717 1.00 45.32 H new ATOM 0 HA2 GLY A 25 7.719 -6.019 -0.508 1.00 23.11 H new ATOM 0 HA3 GLY A 25 6.190 -6.666 0.053 1.00 23.11 H new ATOM 412 N LEU A 26 6.453 -4.828 2.298 1.00 44.10 N ATOM 413 CA LEU A 26 6.026 -3.623 3.025 1.00 73.04 C ATOM 414 C LEU A 26 7.021 -2.461 2.878 1.00 35.12 C ATOM 415 O LEU A 26 6.616 -1.298 2.748 1.00 54.32 O ATOM 416 CB LEU A 26 5.825 -3.954 4.512 1.00 24.03 C ATOM 417 CG LEU A 26 5.432 -2.773 5.417 1.00 73.11 C ATOM 418 CD1 LEU A 26 4.095 -2.171 4.991 1.00 43.23 C ATOM 419 CD2 LEU A 26 5.386 -3.210 6.879 1.00 21.23 C ATOM 0 H LEU A 26 6.492 -5.667 2.877 1.00 44.10 H new ATOM 0 HA LEU A 26 5.084 -3.298 2.584 1.00 73.04 H new ATOM 0 HB2 LEU A 26 5.054 -4.720 4.593 1.00 24.03 H new ATOM 0 HB3 LEU A 26 6.748 -4.389 4.895 1.00 24.03 H new ATOM 0 HG LEU A 26 6.194 -2.001 5.311 1.00 73.11 H new ATOM 0 HD11 LEU A 26 3.844 -1.339 5.649 1.00 43.23 H new ATOM 0 HD12 LEU A 26 4.168 -1.812 3.964 1.00 43.23 H new ATOM 0 HD13 LEU A 26 3.317 -2.931 5.055 1.00 43.23 H new ATOM 0 HD21 LEU A 26 5.106 -2.362 7.504 1.00 21.23 H new ATOM 0 HD22 LEU A 26 4.651 -4.006 6.998 1.00 21.23 H new ATOM 0 HD23 LEU A 26 6.368 -3.575 7.181 1.00 21.23 H new ATOM 431 N GLU A 27 8.321 -2.759 2.901 1.00 72.42 N ATOM 432 CA GLU A 27 9.338 -1.708 2.758 1.00 13.35 C ATOM 433 C GLU A 27 9.174 -0.950 1.432 1.00 54.03 C ATOM 434 O GLU A 27 9.412 0.252 1.372 1.00 53.22 O ATOM 435 CB GLU A 27 10.758 -2.280 2.858 1.00 64.44 C ATOM 436 CG GLU A 27 11.169 -3.147 1.674 1.00 42.44 C ATOM 437 CD GLU A 27 12.647 -3.493 1.690 1.00 71.24 C ATOM 438 OE1 GLU A 27 13.461 -2.688 1.184 1.00 64.12 O ATOM 439 OE2 GLU A 27 13.008 -4.568 2.211 1.00 54.50 O ATOM 0 H GLU A 27 8.693 -3.702 3.015 1.00 72.42 H new ATOM 0 HA GLU A 27 9.189 -1.009 3.581 1.00 13.35 H new ATOM 0 HB2 GLU A 27 11.464 -1.455 2.952 1.00 64.44 H new ATOM 0 HB3 GLU A 27 10.836 -2.871 3.771 1.00 64.44 H new ATOM 0 HG2 GLU A 27 10.584 -4.067 1.681 1.00 42.44 H new ATOM 0 HG3 GLU A 27 10.932 -2.626 0.747 1.00 42.44 H new ATOM 446 N ALA A 28 8.761 -1.652 0.372 1.00 2.05 N ATOM 447 CA ALA A 28 8.526 -1.016 -0.930 1.00 52.02 C ATOM 448 C ALA A 28 7.467 0.090 -0.821 1.00 44.34 C ATOM 449 O ALA A 28 7.614 1.173 -1.400 1.00 30.12 O ATOM 450 CB ALA A 28 8.111 -2.054 -1.967 1.00 74.25 C ATOM 0 H ALA A 28 8.583 -2.656 0.388 1.00 2.05 H new ATOM 0 HA ALA A 28 9.460 -0.557 -1.254 1.00 52.02 H new ATOM 0 HB1 ALA A 28 7.941 -1.563 -2.925 1.00 74.25 H new ATOM 0 HB2 ALA A 28 8.901 -2.797 -2.075 1.00 74.25 H new ATOM 0 HB3 ALA A 28 7.193 -2.545 -1.643 1.00 74.25 H new ATOM 456 N LEU A 29 6.409 -0.191 -0.060 1.00 71.34 N ATOM 457 CA LEU A 29 5.360 0.797 0.206 1.00 43.45 C ATOM 458 C LEU A 29 5.936 2.012 0.951 1.00 41.24 C ATOM 459 O LEU A 29 5.793 3.149 0.505 1.00 10.34 O ATOM 460 CB LEU A 29 4.219 0.171 1.036 1.00 25.25 C ATOM 461 CG LEU A 29 3.297 -0.822 0.298 1.00 30.14 C ATOM 462 CD1 LEU A 29 2.563 -0.133 -0.849 1.00 42.13 C ATOM 463 CD2 LEU A 29 4.075 -2.037 -0.206 1.00 44.21 C ATOM 0 H LEU A 29 6.254 -1.096 0.384 1.00 71.34 H new ATOM 0 HA LEU A 29 4.959 1.127 -0.753 1.00 43.45 H new ATOM 0 HB2 LEU A 29 4.660 -0.343 1.890 1.00 25.25 H new ATOM 0 HB3 LEU A 29 3.603 0.978 1.433 1.00 25.25 H new ATOM 0 HG LEU A 29 2.555 -1.178 1.013 1.00 30.14 H new ATOM 0 HD11 LEU A 29 1.919 -0.853 -1.354 1.00 42.13 H new ATOM 0 HD12 LEU A 29 1.956 0.682 -0.455 1.00 42.13 H new ATOM 0 HD13 LEU A 29 3.289 0.265 -1.558 1.00 42.13 H new ATOM 0 HD21 LEU A 29 3.396 -2.716 -0.721 1.00 44.21 H new ATOM 0 HD22 LEU A 29 4.853 -1.710 -0.896 1.00 44.21 H new ATOM 0 HD23 LEU A 29 4.532 -2.552 0.639 1.00 44.21 H new ATOM 475 N ASN A 30 6.614 1.752 2.072 1.00 23.30 N ATOM 476 CA ASN A 30 7.195 2.818 2.903 1.00 22.31 C ATOM 477 C ASN A 30 8.210 3.674 2.122 1.00 31.13 C ATOM 478 O ASN A 30 8.135 4.900 2.137 1.00 14.31 O ATOM 479 CB ASN A 30 7.857 2.225 4.153 1.00 52.20 C ATOM 480 CG ASN A 30 6.845 1.633 5.120 1.00 20.30 C ATOM 481 OD1 ASN A 30 6.320 2.326 5.983 1.00 44.21 O ATOM 482 ND2 ASN A 30 6.562 0.353 4.994 1.00 73.50 N ATOM 0 H ASN A 30 6.776 0.810 2.429 1.00 23.30 H new ATOM 0 HA ASN A 30 6.377 3.472 3.205 1.00 22.31 H new ATOM 0 HB2 ASN A 30 8.565 1.452 3.854 1.00 52.20 H new ATOM 0 HB3 ASN A 30 8.429 3.002 4.661 1.00 52.20 H new ATOM 0 HD21 ASN A 30 5.890 -0.085 5.624 1.00 73.50 H new ATOM 0 HD22 ASN A 30 7.014 -0.200 4.266 1.00 73.50 H new ATOM 489 N LYS A 31 9.145 3.023 1.431 1.00 31.50 N ATOM 490 CA LYS A 31 10.148 3.733 0.624 1.00 63.02 C ATOM 491 C LYS A 31 9.478 4.654 -0.414 1.00 30.33 C ATOM 492 O LYS A 31 9.903 5.796 -0.620 1.00 52.00 O ATOM 493 CB LYS A 31 11.080 2.731 -0.079 1.00 75.22 C ATOM 494 CG LYS A 31 11.925 1.905 0.889 1.00 3.50 C ATOM 495 CD LYS A 31 12.839 0.912 0.167 1.00 72.35 C ATOM 496 CE LYS A 31 12.056 -0.139 -0.620 1.00 51.25 C ATOM 497 NZ LYS A 31 12.942 -1.208 -1.162 1.00 0.12 N ATOM 0 H LYS A 31 9.232 2.007 1.411 1.00 31.50 H new ATOM 0 HA LYS A 31 10.739 4.354 1.297 1.00 63.02 H new ATOM 0 HB2 LYS A 31 10.481 2.058 -0.692 1.00 75.22 H new ATOM 0 HB3 LYS A 31 11.741 3.274 -0.755 1.00 75.22 H new ATOM 0 HG2 LYS A 31 12.531 2.574 1.500 1.00 3.50 H new ATOM 0 HG3 LYS A 31 11.268 1.362 1.568 1.00 3.50 H new ATOM 0 HD2 LYS A 31 13.496 1.455 -0.512 1.00 72.35 H new ATOM 0 HD3 LYS A 31 13.477 0.414 0.897 1.00 72.35 H new ATOM 0 HE2 LYS A 31 11.301 -0.587 0.026 1.00 51.25 H new ATOM 0 HE3 LYS A 31 11.527 0.344 -1.441 1.00 51.25 H new ATOM 0 HZ1 LYS A 31 12.429 -1.749 -1.887 1.00 0.12 H new ATOM 0 HZ2 LYS A 31 13.788 -0.776 -1.586 1.00 0.12 H new ATOM 0 HZ3 LYS A 31 13.228 -1.846 -0.392 1.00 0.12 H new ATOM 511 N ALA A 32 8.417 4.158 -1.046 1.00 41.51 N ATOM 512 CA ALA A 32 7.659 4.946 -2.023 1.00 61.23 C ATOM 513 C ALA A 32 6.883 6.089 -1.342 1.00 22.25 C ATOM 514 O ALA A 32 6.732 7.177 -1.908 1.00 32.24 O ATOM 515 CB ALA A 32 6.718 4.037 -2.799 1.00 14.04 C ATOM 0 H ALA A 32 8.060 3.214 -0.901 1.00 41.51 H new ATOM 0 HA ALA A 32 8.363 5.403 -2.719 1.00 61.23 H new ATOM 0 HB1 ALA A 32 6.157 4.627 -3.524 1.00 14.04 H new ATOM 0 HB2 ALA A 32 7.297 3.275 -3.322 1.00 14.04 H new ATOM 0 HB3 ALA A 32 6.025 3.556 -2.109 1.00 14.04 H new ATOM 521 N ILE A 33 6.392 5.835 -0.128 1.00 45.33 N ATOM 522 CA ILE A 33 5.710 6.861 0.673 1.00 4.23 C ATOM 523 C ILE A 33 6.669 8.005 1.040 1.00 64.33 C ATOM 524 O ILE A 33 6.342 9.183 0.881 1.00 42.45 O ATOM 525 CB ILE A 33 5.106 6.255 1.971 1.00 14.05 C ATOM 526 CG1 ILE A 33 3.946 5.303 1.626 1.00 1.34 C ATOM 527 CG2 ILE A 33 4.635 7.351 2.925 1.00 4.24 C ATOM 528 CD1 ILE A 33 3.341 4.608 2.830 1.00 4.02 C ATOM 0 H ILE A 33 6.453 4.924 0.327 1.00 45.33 H new ATOM 0 HA ILE A 33 4.900 7.259 0.061 1.00 4.23 H new ATOM 0 HB ILE A 33 5.888 5.687 2.475 1.00 14.05 H new ATOM 0 HG12 ILE A 33 3.166 5.867 1.115 1.00 1.34 H new ATOM 0 HG13 ILE A 33 4.304 4.549 0.926 1.00 1.34 H new ATOM 0 HG21 ILE A 33 4.217 6.897 3.823 1.00 4.24 H new ATOM 0 HG22 ILE A 33 5.480 7.984 3.197 1.00 4.24 H new ATOM 0 HG23 ILE A 33 3.871 7.956 2.436 1.00 4.24 H new ATOM 0 HD11 ILE A 33 2.531 3.955 2.504 1.00 4.02 H new ATOM 0 HD12 ILE A 33 4.106 4.015 3.330 1.00 4.02 H new ATOM 0 HD13 ILE A 33 2.950 5.354 3.522 1.00 4.02 H new ATOM 540 N VAL A 34 7.861 7.650 1.515 1.00 23.00 N ATOM 541 CA VAL A 34 8.895 8.642 1.828 1.00 30.01 C ATOM 542 C VAL A 34 9.252 9.460 0.575 1.00 53.43 C ATOM 543 O VAL A 34 9.555 10.653 0.655 1.00 34.13 O ATOM 544 CB VAL A 34 10.172 7.967 2.394 1.00 32.12 C ATOM 545 CG1 VAL A 34 11.251 9.002 2.714 1.00 2.14 C ATOM 546 CG2 VAL A 34 9.835 7.135 3.635 1.00 21.20 C ATOM 0 H VAL A 34 8.138 6.684 1.692 1.00 23.00 H new ATOM 0 HA VAL A 34 8.492 9.309 2.591 1.00 30.01 H new ATOM 0 HB VAL A 34 10.567 7.301 1.627 1.00 32.12 H new ATOM 0 HG11 VAL A 34 12.133 8.498 3.109 1.00 2.14 H new ATOM 0 HG12 VAL A 34 11.518 9.542 1.806 1.00 2.14 H new ATOM 0 HG13 VAL A 34 10.872 9.705 3.456 1.00 2.14 H new ATOM 0 HG21 VAL A 34 10.743 6.669 4.018 1.00 21.20 H new ATOM 0 HG22 VAL A 34 9.408 7.782 4.401 1.00 21.20 H new ATOM 0 HG23 VAL A 34 9.114 6.361 3.370 1.00 21.20 H new ATOM 556 N SER A 35 9.201 8.803 -0.582 1.00 3.30 N ATOM 557 CA SER A 35 9.431 9.472 -1.871 1.00 42.23 C ATOM 558 C SER A 35 8.212 10.311 -2.307 1.00 61.24 C ATOM 559 O SER A 35 8.345 11.264 -3.075 1.00 4.00 O ATOM 560 CB SER A 35 9.761 8.436 -2.953 1.00 41.04 C ATOM 561 OG SER A 35 10.115 9.063 -4.177 1.00 61.03 O ATOM 0 H SER A 35 9.002 7.805 -0.658 1.00 3.30 H new ATOM 0 HA SER A 35 10.275 10.149 -1.742 1.00 42.23 H new ATOM 0 HB2 SER A 35 10.582 7.803 -2.615 1.00 41.04 H new ATOM 0 HB3 SER A 35 8.901 7.785 -3.111 1.00 41.04 H new ATOM 0 HG SER A 35 10.322 8.379 -4.847 1.00 61.03 H new ATOM 567 N GLY A 36 7.024 9.937 -1.824 1.00 22.20 N ATOM 568 CA GLY A 36 5.808 10.695 -2.126 1.00 23.12 C ATOM 569 C GLY A 36 5.192 10.358 -3.483 1.00 54.55 C ATOM 570 O GLY A 36 4.603 11.224 -4.132 1.00 21.25 O ATOM 0 H GLY A 36 6.879 9.122 -1.228 1.00 22.20 H new ATOM 0 HA2 GLY A 36 5.070 10.507 -1.346 1.00 23.12 H new ATOM 0 HA3 GLY A 36 6.038 11.760 -2.096 1.00 23.12 H new ATOM 574 N THR A 37 5.309 9.097 -3.902 1.00 35.13 N ATOM 575 CA THR A 37 4.775 8.654 -5.207 1.00 4.02 C ATOM 576 C THR A 37 3.579 7.698 -5.049 1.00 42.12 C ATOM 577 O THR A 37 3.098 7.116 -6.022 1.00 64.10 O ATOM 578 CB THR A 37 5.875 7.958 -6.054 1.00 2.22 C ATOM 579 OG1 THR A 37 5.333 7.472 -7.294 1.00 51.32 O ATOM 580 CG2 THR A 37 6.510 6.803 -5.286 1.00 42.40 C ATOM 0 H THR A 37 5.766 8.361 -3.364 1.00 35.13 H new ATOM 0 HA THR A 37 4.433 9.552 -5.721 1.00 4.02 H new ATOM 0 HB THR A 37 6.643 8.701 -6.268 1.00 2.22 H new ATOM 0 HG1 THR A 37 4.362 7.369 -7.208 1.00 51.32 H new ATOM 0 HG21 THR A 37 7.277 6.334 -5.903 1.00 42.40 H new ATOM 0 HG22 THR A 37 6.963 7.181 -4.369 1.00 42.40 H new ATOM 0 HG23 THR A 37 5.745 6.068 -5.036 1.00 42.40 H new ATOM 588 N VAL A 38 3.088 7.547 -3.822 1.00 15.22 N ATOM 589 CA VAL A 38 1.989 6.613 -3.537 1.00 41.31 C ATOM 590 C VAL A 38 0.620 7.310 -3.557 1.00 34.35 C ATOM 591 O VAL A 38 0.342 8.186 -2.737 1.00 63.21 O ATOM 592 CB VAL A 38 2.184 5.920 -2.164 1.00 62.25 C ATOM 593 CG1 VAL A 38 1.067 4.916 -1.895 1.00 0.11 C ATOM 594 CG2 VAL A 38 3.543 5.236 -2.102 1.00 53.44 C ATOM 0 H VAL A 38 3.429 8.056 -3.007 1.00 15.22 H new ATOM 0 HA VAL A 38 2.010 5.864 -4.329 1.00 41.31 H new ATOM 0 HB VAL A 38 2.144 6.685 -1.389 1.00 62.25 H new ATOM 0 HG11 VAL A 38 1.228 4.444 -0.926 1.00 0.11 H new ATOM 0 HG12 VAL A 38 0.107 5.432 -1.893 1.00 0.11 H new ATOM 0 HG13 VAL A 38 1.067 4.154 -2.674 1.00 0.11 H new ATOM 0 HG21 VAL A 38 3.664 4.754 -1.132 1.00 53.44 H new ATOM 0 HG22 VAL A 38 3.609 4.486 -2.890 1.00 53.44 H new ATOM 0 HG23 VAL A 38 4.330 5.977 -2.240 1.00 53.44 H new ATOM 604 N GLN A 39 -0.236 6.908 -4.496 1.00 23.35 N ATOM 605 CA GLN A 39 -1.598 7.451 -4.605 1.00 64.11 C ATOM 606 C GLN A 39 -2.650 6.404 -4.201 1.00 60.24 C ATOM 607 O GLN A 39 -2.601 5.260 -4.653 1.00 33.12 O ATOM 608 CB GLN A 39 -1.867 7.917 -6.046 1.00 64.03 C ATOM 609 CG GLN A 39 -0.921 9.012 -6.528 1.00 74.21 C ATOM 610 CD GLN A 39 -1.192 9.435 -7.961 1.00 43.34 C ATOM 611 OE1 GLN A 39 -1.985 10.331 -8.219 1.00 24.42 O ATOM 612 NE2 GLN A 39 -0.533 8.799 -8.907 1.00 70.20 N ATOM 0 H GLN A 39 -0.012 6.203 -5.199 1.00 23.35 H new ATOM 0 HA GLN A 39 -1.675 8.299 -3.924 1.00 64.11 H new ATOM 0 HB2 GLN A 39 -1.787 7.061 -6.715 1.00 64.03 H new ATOM 0 HB3 GLN A 39 -2.892 8.280 -6.115 1.00 64.03 H new ATOM 0 HG2 GLN A 39 -1.013 9.879 -5.874 1.00 74.21 H new ATOM 0 HG3 GLN A 39 0.107 8.659 -6.446 1.00 74.21 H new ATOM 0 HE21 GLN A 39 0.122 8.056 -8.661 1.00 70.20 H new ATOM 0 HE22 GLN A 39 -0.677 9.049 -9.885 1.00 70.20 H new ATOM 621 N ARG A 40 -3.597 6.793 -3.347 1.00 71.14 N ATOM 622 CA ARG A 40 -4.705 5.901 -2.976 1.00 35.11 C ATOM 623 C ARG A 40 -5.856 6.001 -3.989 1.00 24.05 C ATOM 624 O ARG A 40 -5.885 6.914 -4.817 1.00 71.41 O ATOM 625 CB ARG A 40 -5.202 6.194 -1.547 1.00 65.31 C ATOM 626 CG ARG A 40 -5.541 7.659 -1.274 1.00 21.44 C ATOM 627 CD ARG A 40 -6.128 7.845 0.126 1.00 21.11 C ATOM 628 NE ARG A 40 -7.460 7.254 0.233 1.00 54.51 N ATOM 629 CZ ARG A 40 -7.923 6.623 1.279 1.00 43.33 C ATOM 630 NH1 ARG A 40 -7.201 6.448 2.338 1.00 31.50 N ATOM 631 NH2 ARG A 40 -9.129 6.165 1.261 1.00 15.12 N ATOM 0 H ARG A 40 -3.623 7.710 -2.901 1.00 71.14 H new ATOM 0 HA ARG A 40 -4.328 4.878 -2.995 1.00 35.11 H new ATOM 0 HB2 ARG A 40 -6.088 5.589 -1.354 1.00 65.31 H new ATOM 0 HB3 ARG A 40 -4.437 5.875 -0.839 1.00 65.31 H new ATOM 0 HG2 ARG A 40 -4.642 8.267 -1.377 1.00 21.44 H new ATOM 0 HG3 ARG A 40 -6.253 8.014 -2.019 1.00 21.44 H new ATOM 0 HD2 ARG A 40 -5.466 7.388 0.862 1.00 21.11 H new ATOM 0 HD3 ARG A 40 -6.181 8.908 0.361 1.00 21.11 H new ATOM 0 HE ARG A 40 -8.078 7.341 -0.574 1.00 54.51 H new ATOM 0 HH11 ARG A 40 -6.247 6.806 2.369 1.00 31.50 H new ATOM 0 HH12 ARG A 40 -7.586 5.952 3.142 1.00 31.50 H new ATOM 0 HH21 ARG A 40 -9.712 6.297 0.435 1.00 15.12 H new ATOM 0 HH22 ARG A 40 -9.499 5.671 2.073 1.00 15.12 H new ATOM 645 N ALA A 41 -6.801 5.062 -3.913 1.00 34.43 N ATOM 646 CA ALA A 41 -7.906 4.965 -4.886 1.00 24.42 C ATOM 647 C ALA A 41 -8.634 6.306 -5.103 1.00 12.32 C ATOM 648 O ALA A 41 -8.961 6.665 -6.236 1.00 44.20 O ATOM 649 CB ALA A 41 -8.893 3.894 -4.443 1.00 42.01 C ATOM 0 H ALA A 41 -6.828 4.350 -3.184 1.00 34.43 H new ATOM 0 HA ALA A 41 -7.466 4.690 -5.844 1.00 24.42 H new ATOM 0 HB1 ALA A 41 -9.706 3.827 -5.166 1.00 42.01 H new ATOM 0 HB2 ALA A 41 -8.383 2.933 -4.381 1.00 42.01 H new ATOM 0 HB3 ALA A 41 -9.297 4.154 -3.465 1.00 42.01 H new ATOM 655 N ASP A 42 -8.880 7.039 -4.018 1.00 34.22 N ATOM 656 CA ASP A 42 -9.545 8.354 -4.084 1.00 12.43 C ATOM 657 C ASP A 42 -8.834 9.326 -5.045 1.00 63.45 C ATOM 658 O ASP A 42 -9.456 10.238 -5.594 1.00 35.13 O ATOM 659 CB ASP A 42 -9.602 8.968 -2.680 1.00 11.24 C ATOM 660 CG ASP A 42 -10.312 8.072 -1.684 1.00 32.30 C ATOM 661 OD1 ASP A 42 -9.749 7.019 -1.328 1.00 45.11 O ATOM 662 OD2 ASP A 42 -11.429 8.419 -1.249 1.00 41.40 O ATOM 0 H ASP A 42 -8.629 6.748 -3.073 1.00 34.22 H new ATOM 0 HA ASP A 42 -10.551 8.193 -4.471 1.00 12.43 H new ATOM 0 HB2 ASP A 42 -8.588 9.163 -2.330 1.00 11.24 H new ATOM 0 HB3 ASP A 42 -10.113 9.930 -2.728 1.00 11.24 H new ATOM 667 N GLY A 43 -7.532 9.116 -5.251 1.00 61.15 N ATOM 668 CA GLY A 43 -6.744 10.001 -6.111 1.00 5.55 C ATOM 669 C GLY A 43 -5.842 10.952 -5.325 1.00 32.42 C ATOM 670 O GLY A 43 -5.258 11.878 -5.894 1.00 1.10 O ATOM 0 H GLY A 43 -7.004 8.347 -4.838 1.00 61.15 H new ATOM 0 HA2 GLY A 43 -6.130 9.397 -6.779 1.00 5.55 H new ATOM 0 HA3 GLY A 43 -7.419 10.584 -6.738 1.00 5.55 H new ATOM 674 N SER A 44 -5.730 10.724 -4.015 1.00 64.23 N ATOM 675 CA SER A 44 -4.900 11.569 -3.135 1.00 24.51 C ATOM 676 C SER A 44 -3.549 10.912 -2.818 1.00 21.44 C ATOM 677 O SER A 44 -3.403 9.689 -2.894 1.00 63.23 O ATOM 678 CB SER A 44 -5.642 11.863 -1.823 1.00 51.43 C ATOM 679 OG SER A 44 -6.857 12.561 -2.061 1.00 22.13 O ATOM 0 H SER A 44 -6.203 9.960 -3.533 1.00 64.23 H new ATOM 0 HA SER A 44 -4.709 12.500 -3.669 1.00 24.51 H new ATOM 0 HB2 SER A 44 -5.853 10.928 -1.305 1.00 51.43 H new ATOM 0 HB3 SER A 44 -5.003 12.454 -1.166 1.00 51.43 H new ATOM 0 HG SER A 44 -7.308 12.733 -1.208 1.00 22.13 H new ATOM 685 N ILE A 45 -2.566 11.733 -2.445 1.00 74.21 N ATOM 686 CA ILE A 45 -1.224 11.245 -2.105 1.00 12.12 C ATOM 687 C ILE A 45 -1.165 10.696 -0.669 1.00 2.12 C ATOM 688 O ILE A 45 -1.836 11.194 0.235 1.00 24.01 O ATOM 689 CB ILE A 45 -0.163 12.372 -2.260 1.00 45.24 C ATOM 690 CG1 ILE A 45 -0.136 12.898 -3.704 1.00 34.24 C ATOM 691 CG2 ILE A 45 1.226 11.881 -1.847 1.00 4.32 C ATOM 692 CD1 ILE A 45 0.355 11.884 -4.720 1.00 4.40 C ATOM 0 H ILE A 45 -2.673 12.745 -2.370 1.00 74.21 H new ATOM 0 HA ILE A 45 -1.000 10.436 -2.801 1.00 12.12 H new ATOM 0 HB ILE A 45 -0.446 13.190 -1.597 1.00 45.24 H new ATOM 0 HG12 ILE A 45 -1.140 13.219 -3.982 1.00 34.24 H new ATOM 0 HG13 ILE A 45 0.504 13.779 -3.747 1.00 34.24 H new ATOM 0 HG21 ILE A 45 1.948 12.689 -1.965 1.00 4.32 H new ATOM 0 HG22 ILE A 45 1.205 11.564 -0.804 1.00 4.32 H new ATOM 0 HG23 ILE A 45 1.517 11.040 -2.476 1.00 4.32 H new ATOM 0 HD11 ILE A 45 0.345 12.331 -5.714 1.00 4.40 H new ATOM 0 HD12 ILE A 45 1.371 11.580 -4.469 1.00 4.40 H new ATOM 0 HD13 ILE A 45 -0.298 11.011 -4.708 1.00 4.40 H new ATOM 704 N GLN A 46 -0.352 9.664 -0.469 1.00 53.44 N ATOM 705 CA GLN A 46 -0.157 9.060 0.852 1.00 62.01 C ATOM 706 C GLN A 46 1.288 9.268 1.343 1.00 70.54 C ATOM 707 O GLN A 46 2.193 8.504 1.000 1.00 21.25 O ATOM 708 CB GLN A 46 -0.509 7.563 0.786 1.00 21.03 C ATOM 709 CG GLN A 46 -0.234 6.778 2.067 1.00 64.04 C ATOM 710 CD GLN A 46 -0.684 5.326 1.969 1.00 50.40 C ATOM 711 OE1 GLN A 46 -1.018 4.694 2.961 1.00 62.41 O ATOM 712 NE2 GLN A 46 -0.696 4.783 0.766 1.00 4.25 N ATOM 0 H GLN A 46 0.190 9.222 -1.212 1.00 53.44 H new ATOM 0 HA GLN A 46 -0.818 9.548 1.569 1.00 62.01 H new ATOM 0 HB2 GLN A 46 -1.566 7.464 0.537 1.00 21.03 H new ATOM 0 HB3 GLN A 46 0.054 7.108 -0.029 1.00 21.03 H new ATOM 0 HG2 GLN A 46 0.833 6.810 2.287 1.00 64.04 H new ATOM 0 HG3 GLN A 46 -0.746 7.258 2.901 1.00 64.04 H new ATOM 0 HE21 GLN A 46 -0.412 5.333 -0.045 1.00 4.25 H new ATOM 0 HE22 GLN A 46 -0.989 3.813 0.647 1.00 4.25 H new ATOM 721 N ASN A 47 1.495 10.325 2.131 1.00 63.44 N ATOM 722 CA ASN A 47 2.828 10.675 2.648 1.00 53.34 C ATOM 723 C ASN A 47 2.970 10.335 4.142 1.00 4.41 C ATOM 724 O ASN A 47 3.591 11.078 4.904 1.00 60.12 O ATOM 725 CB ASN A 47 3.092 12.171 2.411 1.00 42.35 C ATOM 726 CG ASN A 47 3.362 12.489 0.949 1.00 50.15 C ATOM 727 OD1 ASN A 47 3.919 11.676 0.219 1.00 73.52 O ATOM 728 ND2 ASN A 47 2.977 13.669 0.507 1.00 33.42 N ATOM 0 H ASN A 47 0.754 10.960 2.429 1.00 63.44 H new ATOM 0 HA ASN A 47 3.568 10.082 2.111 1.00 53.34 H new ATOM 0 HB2 ASN A 47 2.232 12.747 2.752 1.00 42.35 H new ATOM 0 HB3 ASN A 47 3.945 12.486 3.012 1.00 42.35 H new ATOM 0 HD21 ASN A 47 3.140 13.927 -0.466 1.00 33.42 H new ATOM 0 HD22 ASN A 47 2.516 14.324 1.138 1.00 33.42 H new ATOM 735 N GLN A 48 2.418 9.196 4.552 1.00 51.13 N ATOM 736 CA GLN A 48 2.519 8.735 5.946 1.00 21.02 C ATOM 737 C GLN A 48 2.985 7.271 6.013 1.00 74.23 C ATOM 738 O GLN A 48 2.308 6.372 5.514 1.00 52.11 O ATOM 739 CB GLN A 48 1.167 8.897 6.658 1.00 61.24 C ATOM 740 CG GLN A 48 0.681 10.343 6.743 1.00 23.23 C ATOM 741 CD GLN A 48 1.606 11.239 7.557 1.00 13.03 C ATOM 742 OE1 GLN A 48 2.253 10.796 8.501 1.00 43.34 O ATOM 743 NE2 GLN A 48 1.680 12.503 7.191 1.00 30.33 N ATOM 0 H GLN A 48 1.893 8.569 3.942 1.00 51.13 H new ATOM 0 HA GLN A 48 3.263 9.350 6.453 1.00 21.02 H new ATOM 0 HB2 GLN A 48 0.418 8.303 6.134 1.00 61.24 H new ATOM 0 HB3 GLN A 48 1.248 8.491 7.666 1.00 61.24 H new ATOM 0 HG2 GLN A 48 0.587 10.748 5.735 1.00 23.23 H new ATOM 0 HG3 GLN A 48 -0.314 10.360 7.187 1.00 23.23 H new ATOM 0 HE21 GLN A 48 1.128 12.838 6.401 1.00 30.33 H new ATOM 0 HE22 GLN A 48 2.289 13.146 7.697 1.00 30.33 H new ATOM 752 N SER A 49 4.148 7.044 6.624 1.00 0.31 N ATOM 753 CA SER A 49 4.722 5.691 6.729 1.00 44.42 C ATOM 754 C SER A 49 3.953 4.823 7.740 1.00 13.10 C ATOM 755 O SER A 49 3.987 5.074 8.946 1.00 55.41 O ATOM 756 CB SER A 49 6.205 5.765 7.133 1.00 73.21 C ATOM 757 OG SER A 49 6.970 6.495 6.183 1.00 60.32 O ATOM 0 H SER A 49 4.715 7.774 7.055 1.00 0.31 H new ATOM 0 HA SER A 49 4.636 5.226 5.747 1.00 44.42 H new ATOM 0 HB2 SER A 49 6.293 6.237 8.112 1.00 73.21 H new ATOM 0 HB3 SER A 49 6.608 4.757 7.228 1.00 73.21 H new ATOM 0 HG SER A 49 7.906 6.525 6.470 1.00 60.32 H new ATOM 763 N LEU A 50 3.260 3.799 7.242 1.00 30.22 N ATOM 764 CA LEU A 50 2.481 2.896 8.101 1.00 63.24 C ATOM 765 C LEU A 50 3.276 1.637 8.488 1.00 3.44 C ATOM 766 O LEU A 50 4.377 1.397 7.988 1.00 63.53 O ATOM 767 CB LEU A 50 1.151 2.526 7.413 1.00 61.05 C ATOM 768 CG LEU A 50 1.241 2.066 5.941 1.00 43.55 C ATOM 769 CD1 LEU A 50 1.892 0.689 5.807 1.00 70.13 C ATOM 770 CD2 LEU A 50 -0.143 2.064 5.297 1.00 23.24 C ATOM 0 H LEU A 50 3.220 3.571 6.249 1.00 30.22 H new ATOM 0 HA LEU A 50 2.261 3.425 9.029 1.00 63.24 H new ATOM 0 HB2 LEU A 50 0.678 1.732 7.990 1.00 61.05 H new ATOM 0 HB3 LEU A 50 0.490 3.392 7.460 1.00 61.05 H new ATOM 0 HG LEU A 50 1.878 2.779 5.418 1.00 43.55 H new ATOM 0 HD11 LEU A 50 1.934 0.407 4.755 1.00 70.13 H new ATOM 0 HD12 LEU A 50 2.903 0.723 6.214 1.00 70.13 H new ATOM 0 HD13 LEU A 50 1.304 -0.046 6.357 1.00 70.13 H new ATOM 0 HD21 LEU A 50 -0.061 1.737 4.260 1.00 23.24 H new ATOM 0 HD22 LEU A 50 -0.797 1.383 5.842 1.00 23.24 H new ATOM 0 HD23 LEU A 50 -0.560 3.070 5.329 1.00 23.24 H new ATOM 782 N HIS A 51 2.706 0.835 9.387 1.00 13.44 N ATOM 783 CA HIS A 51 3.371 -0.383 9.873 1.00 11.12 C ATOM 784 C HIS A 51 2.570 -1.652 9.529 1.00 54.02 C ATOM 785 O HIS A 51 3.153 -2.714 9.295 1.00 22.44 O ATOM 786 CB HIS A 51 3.597 -0.287 11.384 1.00 2.33 C ATOM 787 CG HIS A 51 4.371 0.934 11.787 1.00 33.11 C ATOM 788 ND1 HIS A 51 5.725 1.068 11.578 1.00 70.11 N ATOM 789 CD2 HIS A 51 3.970 2.093 12.370 1.00 53.33 C ATOM 790 CE1 HIS A 51 6.126 2.245 12.012 1.00 42.44 C ATOM 791 NE2 HIS A 51 5.083 2.888 12.496 1.00 14.41 N ATOM 0 H HIS A 51 1.787 1.003 9.796 1.00 13.44 H new ATOM 0 HA HIS A 51 4.334 -0.461 9.368 1.00 11.12 H new ATOM 0 HB2 HIS A 51 2.632 -0.281 11.890 1.00 2.33 H new ATOM 0 HB3 HIS A 51 4.129 -1.176 11.723 1.00 2.33 H new ATOM 0 HD2 HIS A 51 2.965 2.343 12.677 1.00 53.33 H new ATOM 0 HE1 HIS A 51 7.138 2.620 11.977 1.00 42.44 H new ATOM 0 HE2 HIS A 51 5.099 3.825 12.899 1.00 14.41 H new ATOM 800 N GLU A 52 1.240 -1.545 9.509 1.00 35.52 N ATOM 801 CA GLU A 52 0.372 -2.668 9.118 1.00 44.22 C ATOM 802 C GLU A 52 -0.450 -2.333 7.861 1.00 24.42 C ATOM 803 O GLU A 52 -0.954 -1.218 7.709 1.00 2.00 O ATOM 804 CB GLU A 52 -0.569 -3.054 10.273 1.00 54.33 C ATOM 805 CG GLU A 52 0.131 -3.758 11.433 1.00 30.12 C ATOM 806 CD GLU A 52 -0.788 -3.991 12.629 1.00 3.10 C ATOM 807 OE1 GLU A 52 -0.997 -3.042 13.413 1.00 62.31 O ATOM 808 OE2 GLU A 52 -1.293 -5.121 12.798 1.00 3.31 O ATOM 0 H GLU A 52 0.736 -0.694 9.758 1.00 35.52 H new ATOM 0 HA GLU A 52 1.018 -3.515 8.887 1.00 44.22 H new ATOM 0 HB2 GLU A 52 -1.056 -2.154 10.648 1.00 54.33 H new ATOM 0 HB3 GLU A 52 -1.354 -3.704 9.887 1.00 54.33 H new ATOM 0 HG2 GLU A 52 0.520 -4.716 11.088 1.00 30.12 H new ATOM 0 HG3 GLU A 52 0.987 -3.162 11.750 1.00 30.12 H new ATOM 815 N ALA A 53 -0.579 -3.312 6.967 1.00 40.32 N ATOM 816 CA ALA A 53 -1.345 -3.147 5.725 1.00 75.32 C ATOM 817 C ALA A 53 -1.770 -4.505 5.139 1.00 43.33 C ATOM 818 O ALA A 53 -1.257 -5.554 5.532 1.00 30.12 O ATOM 819 CB ALA A 53 -0.530 -2.356 4.705 1.00 11.51 C ATOM 0 H ALA A 53 -0.161 -4.236 7.078 1.00 40.32 H new ATOM 0 HA ALA A 53 -2.253 -2.592 5.962 1.00 75.32 H new ATOM 0 HB1 ALA A 53 -1.108 -2.240 3.788 1.00 11.51 H new ATOM 0 HB2 ALA A 53 -0.294 -1.373 5.112 1.00 11.51 H new ATOM 0 HB3 ALA A 53 0.395 -2.890 4.486 1.00 11.51 H new ATOM 825 N LEU A 54 -2.714 -4.477 4.203 1.00 25.25 N ATOM 826 CA LEU A 54 -3.206 -5.698 3.550 1.00 65.43 C ATOM 827 C LEU A 54 -2.703 -5.803 2.107 1.00 51.11 C ATOM 828 O LEU A 54 -2.543 -4.797 1.419 1.00 73.23 O ATOM 829 CB LEU A 54 -4.736 -5.718 3.535 1.00 75.25 C ATOM 830 CG LEU A 54 -5.424 -5.780 4.904 1.00 74.42 C ATOM 831 CD1 LEU A 54 -6.932 -5.613 4.746 1.00 54.10 C ATOM 832 CD2 LEU A 54 -5.093 -7.094 5.616 1.00 20.03 C ATOM 0 H LEU A 54 -3.159 -3.620 3.875 1.00 25.25 H new ATOM 0 HA LEU A 54 -2.826 -6.544 4.123 1.00 65.43 H new ATOM 0 HB2 LEU A 54 -5.086 -4.826 3.016 1.00 75.25 H new ATOM 0 HB3 LEU A 54 -5.062 -6.577 2.948 1.00 75.25 H new ATOM 0 HG LEU A 54 -5.050 -4.961 5.518 1.00 74.42 H new ATOM 0 HD11 LEU A 54 -7.408 -5.659 5.726 1.00 54.10 H new ATOM 0 HD12 LEU A 54 -7.145 -4.649 4.284 1.00 54.10 H new ATOM 0 HD13 LEU A 54 -7.322 -6.412 4.115 1.00 54.10 H new ATOM 0 HD21 LEU A 54 -5.591 -7.118 6.585 1.00 20.03 H new ATOM 0 HD22 LEU A 54 -5.437 -7.933 5.011 1.00 20.03 H new ATOM 0 HD23 LEU A 54 -4.015 -7.168 5.760 1.00 20.03 H new ATOM 844 N ILE A 55 -2.481 -7.025 1.646 1.00 51.23 N ATOM 845 CA ILE A 55 -2.059 -7.269 0.267 1.00 32.12 C ATOM 846 C ILE A 55 -3.029 -8.220 -0.447 1.00 33.33 C ATOM 847 O ILE A 55 -3.436 -9.247 0.103 1.00 22.34 O ATOM 848 CB ILE A 55 -0.619 -7.853 0.212 1.00 74.44 C ATOM 849 CG1 ILE A 55 -0.156 -8.037 -1.247 1.00 2.22 C ATOM 850 CG2 ILE A 55 -0.533 -9.176 0.974 1.00 22.25 C ATOM 851 CD1 ILE A 55 -0.095 -6.749 -2.039 1.00 51.32 C ATOM 0 H ILE A 55 -2.586 -7.870 2.207 1.00 51.23 H new ATOM 0 HA ILE A 55 -2.065 -6.307 -0.246 1.00 32.12 H new ATOM 0 HB ILE A 55 0.048 -7.140 0.695 1.00 74.44 H new ATOM 0 HG12 ILE A 55 0.831 -8.500 -1.249 1.00 2.22 H new ATOM 0 HG13 ILE A 55 -0.833 -8.728 -1.748 1.00 2.22 H new ATOM 0 HG21 ILE A 55 0.485 -9.562 0.919 1.00 22.25 H new ATOM 0 HG22 ILE A 55 -0.804 -9.013 2.017 1.00 22.25 H new ATOM 0 HG23 ILE A 55 -1.219 -9.897 0.529 1.00 22.25 H new ATOM 0 HD11 ILE A 55 0.239 -6.962 -3.055 1.00 51.32 H new ATOM 0 HD12 ILE A 55 -1.085 -6.294 -2.070 1.00 51.32 H new ATOM 0 HD13 ILE A 55 0.605 -6.062 -1.563 1.00 51.32 H new ATOM 863 N THR A 56 -3.427 -7.854 -1.662 1.00 23.31 N ATOM 864 CA THR A 56 -4.207 -8.751 -2.519 1.00 2.51 C ATOM 865 C THR A 56 -3.427 -10.036 -2.811 1.00 42.23 C ATOM 866 O THR A 56 -2.211 -9.999 -2.990 1.00 54.33 O ATOM 867 CB THR A 56 -4.571 -8.083 -3.867 1.00 33.11 C ATOM 868 OG1 THR A 56 -3.378 -7.621 -4.531 1.00 30.23 O ATOM 869 CG2 THR A 56 -5.531 -6.915 -3.660 1.00 11.43 C ATOM 0 H THR A 56 -3.224 -6.945 -2.078 1.00 23.31 H new ATOM 0 HA THR A 56 -5.124 -8.983 -1.977 1.00 2.51 H new ATOM 0 HB THR A 56 -5.065 -8.829 -4.489 1.00 33.11 H new ATOM 0 HG1 THR A 56 -2.596 -7.816 -3.973 1.00 30.23 H new ATOM 0 HG21 THR A 56 -5.769 -6.465 -4.624 1.00 11.43 H new ATOM 0 HG22 THR A 56 -6.447 -7.275 -3.191 1.00 11.43 H new ATOM 0 HG23 THR A 56 -5.064 -6.169 -3.017 1.00 11.43 H new ATOM 877 N ARG A 57 -4.124 -11.167 -2.866 1.00 52.23 N ATOM 878 CA ARG A 57 -3.479 -12.457 -3.150 1.00 1.42 C ATOM 879 C ARG A 57 -2.683 -12.411 -4.470 1.00 75.12 C ATOM 880 O ARG A 57 -1.628 -13.035 -4.595 1.00 24.05 O ATOM 881 CB ARG A 57 -4.533 -13.574 -3.210 1.00 10.24 C ATOM 882 CG ARG A 57 -5.550 -13.401 -4.335 1.00 62.33 C ATOM 883 CD ARG A 57 -6.540 -14.558 -4.391 1.00 35.01 C ATOM 884 NE ARG A 57 -7.412 -14.474 -5.560 1.00 45.40 N ATOM 885 CZ ARG A 57 -8.415 -15.278 -5.784 1.00 60.03 C ATOM 886 NH1 ARG A 57 -8.695 -16.226 -4.947 1.00 34.35 N ATOM 887 NH2 ARG A 57 -9.130 -15.141 -6.853 1.00 44.14 N ATOM 0 H ARG A 57 -5.132 -11.223 -2.719 1.00 52.23 H new ATOM 0 HA ARG A 57 -2.778 -12.665 -2.342 1.00 1.42 H new ATOM 0 HB2 ARG A 57 -4.027 -14.532 -3.334 1.00 10.24 H new ATOM 0 HB3 ARG A 57 -5.062 -13.614 -2.258 1.00 10.24 H new ATOM 0 HG2 ARG A 57 -6.092 -12.466 -4.193 1.00 62.33 H new ATOM 0 HG3 ARG A 57 -5.027 -13.325 -5.288 1.00 62.33 H new ATOM 0 HD2 ARG A 57 -5.995 -15.501 -4.412 1.00 35.01 H new ATOM 0 HD3 ARG A 57 -7.147 -14.561 -3.485 1.00 35.01 H new ATOM 0 HE ARG A 57 -7.225 -13.741 -6.244 1.00 45.40 H new ATOM 0 HH11 ARG A 57 -8.130 -16.348 -4.107 1.00 34.35 H new ATOM 0 HH12 ARG A 57 -9.481 -16.851 -5.128 1.00 34.35 H new ATOM 0 HH21 ARG A 57 -8.910 -14.404 -7.523 1.00 44.14 H new ATOM 0 HH22 ARG A 57 -9.914 -15.770 -7.027 1.00 44.14 H new ATOM 901 N ASP A 58 -3.193 -11.648 -5.439 1.00 40.53 N ATOM 902 CA ASP A 58 -2.548 -11.498 -6.749 1.00 31.23 C ATOM 903 C ASP A 58 -1.408 -10.460 -6.705 1.00 43.22 C ATOM 904 O ASP A 58 -0.707 -10.254 -7.693 1.00 14.23 O ATOM 905 CB ASP A 58 -3.598 -11.101 -7.789 1.00 43.41 C ATOM 906 CG ASP A 58 -4.789 -12.040 -7.762 1.00 70.13 C ATOM 907 OD1 ASP A 58 -4.687 -13.154 -8.312 1.00 52.30 O ATOM 908 OD2 ASP A 58 -5.828 -11.678 -7.168 1.00 15.45 O ATOM 0 H ASP A 58 -4.059 -11.119 -5.341 1.00 40.53 H new ATOM 0 HA ASP A 58 -2.103 -12.454 -7.027 1.00 31.23 H new ATOM 0 HB2 ASP A 58 -3.933 -10.081 -7.599 1.00 43.41 H new ATOM 0 HB3 ASP A 58 -3.149 -11.109 -8.782 1.00 43.41 H new ATOM 913 N ARG A 59 -1.249 -9.804 -5.550 1.00 40.35 N ATOM 914 CA ARG A 59 -0.133 -8.876 -5.290 1.00 64.13 C ATOM 915 C ARG A 59 -0.194 -7.617 -6.181 1.00 10.55 C ATOM 916 O ARG A 59 0.835 -7.043 -6.531 1.00 24.20 O ATOM 917 CB ARG A 59 1.217 -9.603 -5.479 1.00 23.41 C ATOM 918 CG ARG A 59 1.281 -10.972 -4.796 1.00 12.42 C ATOM 919 CD ARG A 59 1.061 -10.880 -3.291 1.00 45.02 C ATOM 920 NE ARG A 59 0.790 -12.190 -2.700 1.00 32.25 N ATOM 921 CZ ARG A 59 1.284 -12.609 -1.567 1.00 63.24 C ATOM 922 NH1 ARG A 59 2.186 -11.920 -0.939 1.00 35.42 N ATOM 923 NH2 ARG A 59 0.907 -13.746 -1.085 1.00 54.35 N ATOM 0 H ARG A 59 -1.891 -9.900 -4.763 1.00 40.35 H new ATOM 0 HA ARG A 59 -0.224 -8.541 -4.257 1.00 64.13 H new ATOM 0 HB2 ARG A 59 1.405 -9.730 -6.545 1.00 23.41 H new ATOM 0 HB3 ARG A 59 2.016 -8.974 -5.087 1.00 23.41 H new ATOM 0 HG2 ARG A 59 0.527 -11.628 -5.231 1.00 12.42 H new ATOM 0 HG3 ARG A 59 2.252 -11.428 -4.992 1.00 12.42 H new ATOM 0 HD2 ARG A 59 1.943 -10.445 -2.821 1.00 45.02 H new ATOM 0 HD3 ARG A 59 0.227 -10.209 -3.086 1.00 45.02 H new ATOM 0 HE ARG A 59 0.171 -12.821 -3.209 1.00 32.25 H new ATOM 0 HH11 ARG A 59 2.518 -11.038 -1.330 1.00 35.42 H new ATOM 0 HH12 ARG A 59 2.563 -12.260 -0.054 1.00 35.42 H new ATOM 0 HH21 ARG A 59 0.226 -14.313 -1.589 1.00 54.35 H new ATOM 0 HH22 ARG A 59 1.291 -14.077 -0.200 1.00 54.35 H new ATOM 937 N LYS A 60 -1.409 -7.165 -6.508 1.00 12.13 N ATOM 938 CA LYS A 60 -1.585 -6.027 -7.426 1.00 31.14 C ATOM 939 C LYS A 60 -2.112 -4.763 -6.718 1.00 21.24 C ATOM 940 O LYS A 60 -1.829 -3.642 -7.151 1.00 31.13 O ATOM 941 CB LYS A 60 -2.506 -6.434 -8.583 1.00 71.13 C ATOM 942 CG LYS A 60 -1.987 -7.655 -9.338 1.00 4.42 C ATOM 943 CD LYS A 60 -2.827 -7.985 -10.567 1.00 2.15 C ATOM 944 CE LYS A 60 -2.316 -9.246 -11.258 1.00 44.42 C ATOM 945 NZ LYS A 60 -3.024 -9.511 -12.536 1.00 72.30 N ATOM 0 H LYS A 60 -2.280 -7.563 -6.156 1.00 12.13 H new ATOM 0 HA LYS A 60 -0.602 -5.766 -7.818 1.00 31.14 H new ATOM 0 HB2 LYS A 60 -3.502 -6.647 -8.194 1.00 71.13 H new ATOM 0 HB3 LYS A 60 -2.607 -5.598 -9.275 1.00 71.13 H new ATOM 0 HG2 LYS A 60 -0.956 -7.477 -9.644 1.00 4.42 H new ATOM 0 HG3 LYS A 60 -1.977 -8.515 -8.668 1.00 4.42 H new ATOM 0 HD2 LYS A 60 -3.868 -8.123 -10.274 1.00 2.15 H new ATOM 0 HD3 LYS A 60 -2.801 -7.148 -11.265 1.00 2.15 H new ATOM 0 HE2 LYS A 60 -1.248 -9.145 -11.450 1.00 44.42 H new ATOM 0 HE3 LYS A 60 -2.441 -10.099 -10.592 1.00 44.42 H new ATOM 0 HZ1 LYS A 60 -2.644 -10.376 -12.970 1.00 72.30 H new ATOM 0 HZ2 LYS A 60 -4.040 -9.633 -12.351 1.00 72.30 H new ATOM 0 HZ3 LYS A 60 -2.884 -8.709 -13.183 1.00 72.30 H new ATOM 959 N GLN A 61 -2.883 -4.935 -5.640 1.00 41.23 N ATOM 960 CA GLN A 61 -3.344 -3.793 -4.828 1.00 41.35 C ATOM 961 C GLN A 61 -3.028 -3.999 -3.335 1.00 54.12 C ATOM 962 O GLN A 61 -2.993 -5.131 -2.842 1.00 15.52 O ATOM 963 CB GLN A 61 -4.852 -3.542 -5.015 1.00 0.15 C ATOM 964 CG GLN A 61 -5.241 -3.109 -6.425 1.00 61.42 C ATOM 965 CD GLN A 61 -6.682 -2.625 -6.521 1.00 42.43 C ATOM 966 OE1 GLN A 61 -6.964 -1.442 -6.355 1.00 14.52 O ATOM 967 NE2 GLN A 61 -7.602 -3.527 -6.792 1.00 22.45 N ATOM 0 H GLN A 61 -3.202 -5.845 -5.307 1.00 41.23 H new ATOM 0 HA GLN A 61 -2.801 -2.916 -5.179 1.00 41.35 H new ATOM 0 HB2 GLN A 61 -5.395 -4.453 -4.763 1.00 0.15 H new ATOM 0 HB3 GLN A 61 -5.172 -2.775 -4.310 1.00 0.15 H new ATOM 0 HG2 GLN A 61 -4.573 -2.312 -6.752 1.00 61.42 H new ATOM 0 HG3 GLN A 61 -5.098 -3.946 -7.109 1.00 61.42 H new ATOM 0 HE21 GLN A 61 -7.336 -4.503 -6.925 1.00 22.45 H new ATOM 0 HE22 GLN A 61 -8.581 -3.250 -6.869 1.00 22.45 H new ATOM 976 N VAL A 62 -2.799 -2.891 -2.627 1.00 41.35 N ATOM 977 CA VAL A 62 -2.454 -2.920 -1.198 1.00 12.41 C ATOM 978 C VAL A 62 -3.433 -2.070 -0.361 1.00 22.43 C ATOM 979 O VAL A 62 -3.512 -0.854 -0.525 1.00 44.11 O ATOM 980 CB VAL A 62 -1.012 -2.391 -0.967 1.00 51.43 C ATOM 981 CG1 VAL A 62 -0.622 -2.479 0.506 1.00 2.43 C ATOM 982 CG2 VAL A 62 -0.006 -3.140 -1.842 1.00 43.11 C ATOM 0 H VAL A 62 -2.846 -1.952 -3.022 1.00 41.35 H new ATOM 0 HA VAL A 62 -2.522 -3.960 -0.878 1.00 12.41 H new ATOM 0 HB VAL A 62 -0.994 -1.340 -1.256 1.00 51.43 H new ATOM 0 HG11 VAL A 62 0.392 -2.102 0.637 1.00 2.43 H new ATOM 0 HG12 VAL A 62 -1.311 -1.880 1.101 1.00 2.43 H new ATOM 0 HG13 VAL A 62 -0.668 -3.518 0.833 1.00 2.43 H new ATOM 0 HG21 VAL A 62 0.995 -2.750 -1.660 1.00 43.11 H new ATOM 0 HG22 VAL A 62 -0.031 -4.202 -1.598 1.00 43.11 H new ATOM 0 HG23 VAL A 62 -0.264 -3.003 -2.892 1.00 43.11 H new ATOM 992 N PHE A 63 -4.157 -2.717 0.553 1.00 4.00 N ATOM 993 CA PHE A 63 -5.127 -2.030 1.422 1.00 72.11 C ATOM 994 C PHE A 63 -4.486 -1.672 2.776 1.00 21.31 C ATOM 995 O PHE A 63 -3.312 -1.957 3.012 1.00 14.41 O ATOM 996 CB PHE A 63 -6.373 -2.906 1.644 1.00 12.10 C ATOM 997 CG PHE A 63 -7.175 -3.193 0.394 1.00 0.02 C ATOM 998 CD1 PHE A 63 -6.646 -3.970 -0.627 1.00 62.23 C ATOM 999 CD2 PHE A 63 -8.462 -2.693 0.248 1.00 1.52 C ATOM 1000 CE1 PHE A 63 -7.380 -4.241 -1.765 1.00 33.34 C ATOM 1001 CE2 PHE A 63 -9.202 -2.965 -0.887 1.00 63.12 C ATOM 1002 CZ PHE A 63 -8.662 -3.739 -1.895 1.00 42.40 C ATOM 0 H PHE A 63 -4.093 -3.722 0.715 1.00 4.00 H new ATOM 0 HA PHE A 63 -5.431 -1.109 0.925 1.00 72.11 H new ATOM 0 HB2 PHE A 63 -6.061 -3.853 2.084 1.00 12.10 H new ATOM 0 HB3 PHE A 63 -7.021 -2.415 2.370 1.00 12.10 H new ATOM 0 HD1 PHE A 63 -5.647 -4.368 -0.530 1.00 62.23 H new ATOM 0 HD2 PHE A 63 -8.890 -2.084 1.031 1.00 1.52 H new ATOM 0 HE1 PHE A 63 -6.953 -4.844 -2.553 1.00 33.34 H new ATOM 0 HE2 PHE A 63 -10.203 -2.572 -0.986 1.00 63.12 H new ATOM 0 HZ PHE A 63 -9.239 -3.952 -2.783 1.00 42.40 H new ATOM 1012 N ARG A 64 -5.250 -1.030 3.661 1.00 12.35 N ATOM 1013 CA ARG A 64 -4.722 -0.590 4.967 1.00 2.33 C ATOM 1014 C ARG A 64 -5.347 -1.350 6.149 1.00 22.35 C ATOM 1015 O ARG A 64 -6.267 -2.153 5.984 1.00 12.34 O ATOM 1016 CB ARG A 64 -4.927 0.924 5.146 1.00 21.42 C ATOM 1017 CG ARG A 64 -3.754 1.772 4.656 1.00 1.01 C ATOM 1018 CD ARG A 64 -3.486 1.594 3.166 1.00 2.32 C ATOM 1019 NE ARG A 64 -2.208 2.189 2.772 1.00 51.13 N ATOM 1020 CZ ARG A 64 -1.358 1.633 1.955 1.00 1.31 C ATOM 1021 NH1 ARG A 64 -1.639 0.513 1.364 1.00 70.24 N ATOM 1022 NH2 ARG A 64 -0.221 2.206 1.725 1.00 52.53 N ATOM 0 H ARG A 64 -6.232 -0.801 3.505 1.00 12.35 H new ATOM 0 HA ARG A 64 -3.656 -0.818 4.967 1.00 2.33 H new ATOM 0 HB2 ARG A 64 -5.828 1.224 4.611 1.00 21.42 H new ATOM 0 HB3 ARG A 64 -5.099 1.135 6.202 1.00 21.42 H new ATOM 0 HG2 ARG A 64 -3.959 2.823 4.862 1.00 1.01 H new ATOM 0 HG3 ARG A 64 -2.858 1.506 5.217 1.00 1.01 H new ATOM 0 HD2 ARG A 64 -3.484 0.532 2.921 1.00 2.32 H new ATOM 0 HD3 ARG A 64 -4.293 2.052 2.594 1.00 2.32 H new ATOM 0 HE ARG A 64 -1.966 3.100 3.163 1.00 51.13 H new ATOM 0 HH11 ARG A 64 -2.535 0.056 1.536 1.00 70.24 H new ATOM 0 HH12 ARG A 64 -0.964 0.089 0.727 1.00 70.24 H new ATOM 0 HH21 ARG A 64 0.007 3.089 2.182 1.00 52.53 H new ATOM 0 HH22 ARG A 64 0.447 1.775 1.087 1.00 52.53 H new ATOM 1036 N ILE A 65 -4.815 -1.093 7.345 1.00 11.44 N ATOM 1037 CA ILE A 65 -5.301 -1.720 8.585 1.00 11.42 C ATOM 1038 C ILE A 65 -5.354 -0.704 9.734 1.00 34.43 C ATOM 1039 O ILE A 65 -4.406 0.052 9.951 1.00 23.44 O ATOM 1040 CB ILE A 65 -4.393 -2.902 9.022 1.00 23.32 C ATOM 1041 CG1 ILE A 65 -4.339 -3.980 7.931 1.00 30.32 C ATOM 1042 CG2 ILE A 65 -4.876 -3.502 10.343 1.00 71.42 C ATOM 1043 CD1 ILE A 65 -3.464 -5.165 8.285 1.00 52.23 C ATOM 0 H ILE A 65 -4.038 -0.448 7.486 1.00 11.44 H new ATOM 0 HA ILE A 65 -6.303 -2.092 8.371 1.00 11.42 H new ATOM 0 HB ILE A 65 -3.386 -2.513 9.171 1.00 23.32 H new ATOM 0 HG12 ILE A 65 -5.351 -4.334 7.732 1.00 30.32 H new ATOM 0 HG13 ILE A 65 -3.971 -3.532 7.008 1.00 30.32 H new ATOM 0 HG21 ILE A 65 -4.224 -4.328 10.628 1.00 71.42 H new ATOM 0 HG22 ILE A 65 -4.853 -2.738 11.120 1.00 71.42 H new ATOM 0 HG23 ILE A 65 -5.896 -3.869 10.225 1.00 71.42 H new ATOM 0 HD11 ILE A 65 -3.476 -5.884 7.466 1.00 52.23 H new ATOM 0 HD12 ILE A 65 -2.442 -4.825 8.454 1.00 52.23 H new ATOM 0 HD13 ILE A 65 -3.843 -5.640 9.190 1.00 52.23 H new ATOM 1055 N GLU A 66 -6.460 -0.697 10.472 1.00 1.50 N ATOM 1056 CA GLU A 66 -6.604 0.159 11.651 1.00 43.13 C ATOM 1057 C GLU A 66 -7.284 -0.618 12.786 1.00 30.10 C ATOM 1058 O GLU A 66 -8.153 -1.454 12.535 1.00 55.54 O ATOM 1059 CB GLU A 66 -7.404 1.424 11.300 1.00 24.23 C ATOM 1060 CG GLU A 66 -8.823 1.154 10.804 1.00 71.23 C ATOM 1061 CD GLU A 66 -9.553 2.428 10.410 1.00 22.43 C ATOM 1062 OE1 GLU A 66 -10.153 3.075 11.296 1.00 53.22 O ATOM 1063 OE2 GLU A 66 -9.529 2.794 9.214 1.00 73.41 O ATOM 0 H GLU A 66 -7.275 -1.277 10.275 1.00 1.50 H new ATOM 0 HA GLU A 66 -5.614 0.466 11.987 1.00 43.13 H new ATOM 0 HB2 GLU A 66 -7.455 2.063 12.181 1.00 24.23 H new ATOM 0 HB3 GLU A 66 -6.864 1.980 10.534 1.00 24.23 H new ATOM 0 HG2 GLU A 66 -8.783 0.482 9.947 1.00 71.23 H new ATOM 0 HG3 GLU A 66 -9.386 0.643 11.584 1.00 71.23 H new ATOM 1070 N ASP A 67 -6.871 -0.357 14.029 1.00 25.51 N ATOM 1071 CA ASP A 67 -7.400 -1.082 15.197 1.00 43.44 C ATOM 1072 C ASP A 67 -7.140 -2.604 15.072 1.00 73.21 C ATOM 1073 O ASP A 67 -7.828 -3.422 15.683 1.00 50.15 O ATOM 1074 CB ASP A 67 -8.902 -0.782 15.349 1.00 44.02 C ATOM 1075 CG ASP A 67 -9.478 -1.269 16.666 1.00 34.54 C ATOM 1076 OD1 ASP A 67 -8.992 -0.833 17.728 1.00 54.52 O ATOM 1077 OD2 ASP A 67 -10.436 -2.070 16.650 1.00 1.31 O ATOM 0 H ASP A 67 -6.172 0.350 14.257 1.00 25.51 H new ATOM 0 HA ASP A 67 -6.881 -0.741 16.093 1.00 43.44 H new ATOM 0 HB2 ASP A 67 -9.062 0.293 15.265 1.00 44.02 H new ATOM 0 HB3 ASP A 67 -9.444 -1.250 14.527 1.00 44.02 H new ATOM 1082 N SER A 68 -6.113 -2.964 14.288 1.00 65.41 N ATOM 1083 CA SER A 68 -5.789 -4.372 13.979 1.00 61.30 C ATOM 1084 C SER A 68 -6.909 -5.062 13.180 1.00 21.11 C ATOM 1085 O SER A 68 -6.922 -6.283 13.034 1.00 2.13 O ATOM 1086 CB SER A 68 -5.478 -5.163 15.261 1.00 40.25 C ATOM 1087 OG SER A 68 -4.325 -4.646 15.914 1.00 54.04 O ATOM 0 H SER A 68 -5.483 -2.292 13.850 1.00 65.41 H new ATOM 0 HA SER A 68 -4.897 -4.361 13.352 1.00 61.30 H new ATOM 0 HB2 SER A 68 -6.333 -5.119 15.936 1.00 40.25 H new ATOM 0 HB3 SER A 68 -5.320 -6.213 15.015 1.00 40.25 H new ATOM 0 HG SER A 68 -4.149 -5.165 16.727 1.00 54.04 H new ATOM 1093 N ILE A 69 -7.831 -4.262 12.648 1.00 14.21 N ATOM 1094 CA ILE A 69 -8.932 -4.765 11.826 1.00 61.35 C ATOM 1095 C ILE A 69 -8.638 -4.544 10.329 1.00 40.24 C ATOM 1096 O ILE A 69 -8.296 -3.434 9.911 1.00 64.04 O ATOM 1097 CB ILE A 69 -10.269 -4.068 12.201 1.00 14.34 C ATOM 1098 CG1 ILE A 69 -10.599 -4.305 13.688 1.00 5.55 C ATOM 1099 CG2 ILE A 69 -11.415 -4.552 11.308 1.00 71.42 C ATOM 1100 CD1 ILE A 69 -10.744 -5.766 14.065 1.00 35.14 C ATOM 0 H ILE A 69 -7.837 -3.250 12.773 1.00 14.21 H new ATOM 0 HA ILE A 69 -9.026 -5.834 12.018 1.00 61.35 H new ATOM 0 HB ILE A 69 -10.150 -2.997 12.038 1.00 14.34 H new ATOM 0 HG12 ILE A 69 -9.814 -3.860 14.299 1.00 5.55 H new ATOM 0 HG13 ILE A 69 -11.525 -3.785 13.931 1.00 5.55 H new ATOM 0 HG21 ILE A 69 -12.337 -4.047 11.594 1.00 71.42 H new ATOM 0 HG22 ILE A 69 -11.185 -4.326 10.267 1.00 71.42 H new ATOM 0 HG23 ILE A 69 -11.539 -5.628 11.427 1.00 71.42 H new ATOM 0 HD11 ILE A 69 -10.976 -5.846 15.127 1.00 35.14 H new ATOM 0 HD12 ILE A 69 -11.549 -6.214 13.483 1.00 35.14 H new ATOM 0 HD13 ILE A 69 -9.811 -6.290 13.857 1.00 35.14 H new ATOM 1112 N PRO A 70 -8.752 -5.603 9.501 1.00 74.40 N ATOM 1113 CA PRO A 70 -8.482 -5.515 8.054 1.00 35.02 C ATOM 1114 C PRO A 70 -9.482 -4.610 7.306 1.00 44.45 C ATOM 1115 O PRO A 70 -10.658 -4.950 7.159 1.00 4.12 O ATOM 1116 CB PRO A 70 -8.603 -6.974 7.577 1.00 14.11 C ATOM 1117 CG PRO A 70 -9.474 -7.635 8.592 1.00 33.23 C ATOM 1118 CD PRO A 70 -9.149 -6.969 9.902 1.00 50.03 C ATOM 0 HA PRO A 70 -7.509 -5.066 7.855 1.00 35.02 H new ATOM 0 HB2 PRO A 70 -9.043 -7.030 6.581 1.00 14.11 H new ATOM 0 HB3 PRO A 70 -7.626 -7.454 7.521 1.00 14.11 H new ATOM 0 HG2 PRO A 70 -10.528 -7.514 8.342 1.00 33.23 H new ATOM 0 HG3 PRO A 70 -9.278 -8.706 8.638 1.00 33.23 H new ATOM 0 HD2 PRO A 70 -10.009 -6.957 10.571 1.00 50.03 H new ATOM 0 HD3 PRO A 70 -8.344 -7.484 10.426 1.00 50.03 H new ATOM 1126 N VAL A 71 -9.010 -3.457 6.834 1.00 62.12 N ATOM 1127 CA VAL A 71 -9.861 -2.528 6.086 1.00 50.41 C ATOM 1128 C VAL A 71 -10.059 -3.008 4.639 1.00 74.41 C ATOM 1129 O VAL A 71 -9.183 -2.844 3.787 1.00 61.43 O ATOM 1130 CB VAL A 71 -9.275 -1.092 6.086 1.00 3.13 C ATOM 1131 CG1 VAL A 71 -10.198 -0.125 5.347 1.00 74.31 C ATOM 1132 CG2 VAL A 71 -9.030 -0.617 7.516 1.00 33.21 C ATOM 0 H VAL A 71 -8.047 -3.143 6.955 1.00 62.12 H new ATOM 0 HA VAL A 71 -10.828 -2.504 6.588 1.00 50.41 H new ATOM 0 HB VAL A 71 -8.321 -1.113 5.560 1.00 3.13 H new ATOM 0 HG11 VAL A 71 -9.764 0.875 5.361 1.00 74.31 H new ATOM 0 HG12 VAL A 71 -10.318 -0.454 4.315 1.00 74.31 H new ATOM 0 HG13 VAL A 71 -11.172 -0.105 5.837 1.00 74.31 H new ATOM 0 HG21 VAL A 71 -8.619 0.392 7.499 1.00 33.21 H new ATOM 0 HG22 VAL A 71 -9.971 -0.616 8.065 1.00 33.21 H new ATOM 0 HG23 VAL A 71 -8.325 -1.288 8.006 1.00 33.21 H new ATOM 1142 N LEU A 72 -11.217 -3.613 4.377 1.00 15.51 N ATOM 1143 CA LEU A 72 -11.527 -4.174 3.053 1.00 52.40 C ATOM 1144 C LEU A 72 -12.135 -3.122 2.106 1.00 13.03 C ATOM 1145 O LEU A 72 -12.666 -3.462 1.046 1.00 50.12 O ATOM 1146 CB LEU A 72 -12.493 -5.360 3.202 1.00 74.43 C ATOM 1147 CG LEU A 72 -12.055 -6.451 4.197 1.00 15.44 C ATOM 1148 CD1 LEU A 72 -13.075 -7.585 4.242 1.00 63.22 C ATOM 1149 CD2 LEU A 72 -10.671 -6.988 3.843 1.00 15.22 C ATOM 0 H LEU A 72 -11.962 -3.730 5.064 1.00 15.51 H new ATOM 0 HA LEU A 72 -10.589 -4.512 2.612 1.00 52.40 H new ATOM 0 HB2 LEU A 72 -13.465 -4.977 3.514 1.00 74.43 H new ATOM 0 HB3 LEU A 72 -12.630 -5.819 2.223 1.00 74.43 H new ATOM 0 HG LEU A 72 -12.001 -6.000 5.188 1.00 15.44 H new ATOM 0 HD11 LEU A 72 -12.744 -8.344 4.951 1.00 63.22 H new ATOM 0 HD12 LEU A 72 -14.042 -7.192 4.555 1.00 63.22 H new ATOM 0 HD13 LEU A 72 -13.168 -8.030 3.251 1.00 63.22 H new ATOM 0 HD21 LEU A 72 -10.385 -7.757 4.560 1.00 15.22 H new ATOM 0 HD22 LEU A 72 -10.692 -7.416 2.841 1.00 15.22 H new ATOM 0 HD23 LEU A 72 -9.946 -6.175 3.874 1.00 15.22 H new ATOM 1161 N LEU A 73 -12.046 -1.848 2.479 1.00 20.20 N ATOM 1162 CA LEU A 73 -12.611 -0.762 1.670 1.00 24.22 C ATOM 1163 C LEU A 73 -11.699 -0.410 0.479 1.00 71.40 C ATOM 1164 O LEU A 73 -10.507 -0.150 0.655 1.00 30.21 O ATOM 1165 CB LEU A 73 -12.851 0.481 2.536 1.00 35.32 C ATOM 1166 CG LEU A 73 -13.873 0.305 3.673 1.00 13.33 C ATOM 1167 CD1 LEU A 73 -14.034 1.602 4.459 1.00 2.53 C ATOM 1168 CD2 LEU A 73 -15.221 -0.162 3.124 1.00 71.52 C ATOM 0 H LEU A 73 -11.588 -1.538 3.336 1.00 20.20 H new ATOM 0 HA LEU A 73 -13.564 -1.109 1.271 1.00 24.22 H new ATOM 0 HB2 LEU A 73 -11.900 0.790 2.970 1.00 35.32 H new ATOM 0 HB3 LEU A 73 -13.186 1.293 1.891 1.00 35.32 H new ATOM 0 HG LEU A 73 -13.497 -0.462 4.350 1.00 13.33 H new ATOM 0 HD11 LEU A 73 -14.761 1.455 5.258 1.00 2.53 H new ATOM 0 HD12 LEU A 73 -13.074 1.888 4.890 1.00 2.53 H new ATOM 0 HD13 LEU A 73 -14.382 2.391 3.792 1.00 2.53 H new ATOM 0 HD21 LEU A 73 -15.927 -0.280 3.946 1.00 71.52 H new ATOM 0 HD22 LEU A 73 -15.603 0.577 2.420 1.00 71.52 H new ATOM 0 HD23 LEU A 73 -15.095 -1.117 2.614 1.00 71.52 H new ATOM 1180 N PRO A 74 -12.257 -0.372 -0.754 1.00 11.42 N ATOM 1181 CA PRO A 74 -11.476 -0.098 -1.982 1.00 62.30 C ATOM 1182 C PRO A 74 -10.775 1.270 -1.961 1.00 65.52 C ATOM 1183 O PRO A 74 -9.788 1.483 -2.663 1.00 34.42 O ATOM 1184 CB PRO A 74 -12.533 -0.154 -3.103 1.00 51.15 C ATOM 1185 CG PRO A 74 -13.841 0.043 -2.413 1.00 14.13 C ATOM 1186 CD PRO A 74 -13.685 -0.586 -1.055 1.00 52.42 C ATOM 0 HA PRO A 74 -10.664 -0.815 -2.106 1.00 62.30 H new ATOM 0 HB2 PRO A 74 -12.359 0.622 -3.848 1.00 51.15 H new ATOM 0 HB3 PRO A 74 -12.503 -1.110 -3.626 1.00 51.15 H new ATOM 0 HG2 PRO A 74 -14.083 1.102 -2.328 1.00 14.13 H new ATOM 0 HG3 PRO A 74 -14.652 -0.426 -2.970 1.00 14.13 H new ATOM 0 HD2 PRO A 74 -14.329 -0.112 -0.314 1.00 52.42 H new ATOM 0 HD3 PRO A 74 -13.940 -1.646 -1.069 1.00 52.42 H new ATOM 1194 N GLU A 75 -11.287 2.192 -1.149 1.00 72.41 N ATOM 1195 CA GLU A 75 -10.697 3.530 -1.022 1.00 63.52 C ATOM 1196 C GLU A 75 -9.274 3.465 -0.429 1.00 73.24 C ATOM 1197 O GLU A 75 -8.392 4.237 -0.816 1.00 74.53 O ATOM 1198 CB GLU A 75 -11.617 4.431 -0.181 1.00 21.10 C ATOM 1199 CG GLU A 75 -11.982 3.855 1.181 1.00 44.01 C ATOM 1200 CD GLU A 75 -13.092 4.635 1.866 1.00 44.12 C ATOM 1201 OE1 GLU A 75 -12.829 5.762 2.345 1.00 11.14 O ATOM 1202 OE2 GLU A 75 -14.241 4.142 1.904 1.00 45.02 O ATOM 0 H GLU A 75 -12.111 2.040 -0.567 1.00 72.41 H new ATOM 0 HA GLU A 75 -10.605 3.964 -2.018 1.00 63.52 H new ATOM 0 HB2 GLU A 75 -11.129 5.395 -0.036 1.00 21.10 H new ATOM 0 HB3 GLU A 75 -12.533 4.619 -0.741 1.00 21.10 H new ATOM 0 HG2 GLU A 75 -12.293 2.817 1.061 1.00 44.01 H new ATOM 0 HG3 GLU A 75 -11.098 3.852 1.819 1.00 44.01 H new ATOM 1209 N GLU A 76 -9.052 2.520 0.492 1.00 22.10 N ATOM 1210 CA GLU A 76 -7.718 2.292 1.074 1.00 24.32 C ATOM 1211 C GLU A 76 -6.819 1.441 0.149 1.00 53.11 C ATOM 1212 O GLU A 76 -5.719 1.045 0.542 1.00 74.23 O ATOM 1213 CB GLU A 76 -7.837 1.603 2.452 1.00 24.21 C ATOM 1214 CG GLU A 76 -7.896 2.561 3.645 1.00 2.10 C ATOM 1215 CD GLU A 76 -9.129 3.449 3.661 1.00 0.21 C ATOM 1216 OE1 GLU A 76 -10.247 2.915 3.787 1.00 73.23 O ATOM 1217 OE2 GLU A 76 -8.982 4.690 3.582 1.00 12.31 O ATOM 0 H GLU A 76 -9.777 1.899 0.852 1.00 22.10 H new ATOM 0 HA GLU A 76 -7.252 3.270 1.192 1.00 24.32 H new ATOM 0 HB2 GLU A 76 -8.734 0.983 2.457 1.00 24.21 H new ATOM 0 HB3 GLU A 76 -6.987 0.934 2.583 1.00 24.21 H new ATOM 0 HG2 GLU A 76 -7.867 1.980 4.567 1.00 2.10 H new ATOM 0 HG3 GLU A 76 -7.007 3.191 3.637 1.00 2.10 H new ATOM 1224 N ALA A 77 -7.282 1.170 -1.077 1.00 20.53 N ATOM 1225 CA ALA A 77 -6.531 0.326 -2.019 1.00 50.30 C ATOM 1226 C ALA A 77 -5.555 1.140 -2.887 1.00 32.53 C ATOM 1227 O ALA A 77 -5.967 1.964 -3.705 1.00 11.45 O ATOM 1228 CB ALA A 77 -7.489 -0.461 -2.909 1.00 13.43 C ATOM 0 H ALA A 77 -8.168 1.520 -1.440 1.00 20.53 H new ATOM 0 HA ALA A 77 -5.937 -0.366 -1.422 1.00 50.30 H new ATOM 0 HB1 ALA A 77 -6.918 -1.080 -3.600 1.00 13.43 H new ATOM 0 HB2 ALA A 77 -8.121 -1.097 -2.290 1.00 13.43 H new ATOM 0 HB3 ALA A 77 -8.113 0.232 -3.474 1.00 13.43 H new ATOM 1234 N ILE A 78 -4.261 0.899 -2.690 1.00 22.53 N ATOM 1235 CA ILE A 78 -3.211 1.516 -3.512 1.00 40.20 C ATOM 1236 C ILE A 78 -2.686 0.516 -4.556 1.00 52.33 C ATOM 1237 O ILE A 78 -2.391 -0.635 -4.229 1.00 43.41 O ATOM 1238 CB ILE A 78 -2.013 2.017 -2.644 1.00 71.20 C ATOM 1239 CG1 ILE A 78 -2.413 3.231 -1.781 1.00 1.14 C ATOM 1240 CG2 ILE A 78 -0.810 2.368 -3.524 1.00 3.55 C ATOM 1241 CD1 ILE A 78 -3.421 2.928 -0.692 1.00 12.43 C ATOM 0 H ILE A 78 -3.908 0.276 -1.963 1.00 22.53 H new ATOM 0 HA ILE A 78 -3.662 2.374 -4.011 1.00 40.20 H new ATOM 0 HB ILE A 78 -1.731 1.203 -1.976 1.00 71.20 H new ATOM 0 HG12 ILE A 78 -1.515 3.645 -1.322 1.00 1.14 H new ATOM 0 HG13 ILE A 78 -2.823 4.003 -2.432 1.00 1.14 H new ATOM 0 HG21 ILE A 78 0.011 2.714 -2.896 1.00 3.55 H new ATOM 0 HG22 ILE A 78 -0.495 1.484 -4.079 1.00 3.55 H new ATOM 0 HG23 ILE A 78 -1.089 3.156 -4.224 1.00 3.55 H new ATOM 0 HD11 ILE A 78 -3.642 3.840 -0.137 1.00 12.43 H new ATOM 0 HD12 ILE A 78 -4.337 2.545 -1.141 1.00 12.43 H new ATOM 0 HD13 ILE A 78 -3.010 2.181 -0.013 1.00 12.43 H new ATOM 1253 N ALA A 79 -2.569 0.956 -5.806 1.00 24.15 N ATOM 1254 CA ALA A 79 -2.031 0.104 -6.872 1.00 25.42 C ATOM 1255 C ALA A 79 -0.495 0.043 -6.824 1.00 22.41 C ATOM 1256 O ALA A 79 0.170 1.060 -6.612 1.00 51.21 O ATOM 1257 CB ALA A 79 -2.505 0.609 -8.233 1.00 2.13 C ATOM 0 H ALA A 79 -2.837 1.892 -6.109 1.00 24.15 H new ATOM 0 HA ALA A 79 -2.404 -0.908 -6.717 1.00 25.42 H new ATOM 0 HB1 ALA A 79 -2.101 -0.029 -9.019 1.00 2.13 H new ATOM 0 HB2 ALA A 79 -3.594 0.586 -8.271 1.00 2.13 H new ATOM 0 HB3 ALA A 79 -2.159 1.632 -8.382 1.00 2.13 H new ATOM 1263 N THR A 80 0.067 -1.147 -7.043 1.00 75.20 N ATOM 1264 CA THR A 80 1.530 -1.342 -6.984 1.00 22.25 C ATOM 1265 C THR A 80 2.275 -0.483 -8.017 1.00 73.34 C ATOM 1266 O THR A 80 3.458 -0.189 -7.852 1.00 42.41 O ATOM 1267 CB THR A 80 1.922 -2.822 -7.200 1.00 42.21 C ATOM 1268 OG1 THR A 80 1.457 -3.280 -8.481 1.00 30.42 O ATOM 1269 CG2 THR A 80 1.347 -3.706 -6.096 1.00 61.51 C ATOM 0 H THR A 80 -0.460 -1.992 -7.263 1.00 75.20 H new ATOM 0 HA THR A 80 1.826 -1.029 -5.983 1.00 22.25 H new ATOM 0 HB THR A 80 3.009 -2.890 -7.168 1.00 42.21 H new ATOM 0 HG1 THR A 80 1.713 -4.218 -8.606 1.00 30.42 H new ATOM 0 HG21 THR A 80 1.637 -4.742 -6.271 1.00 61.51 H new ATOM 0 HG22 THR A 80 1.733 -3.379 -5.130 1.00 61.51 H new ATOM 0 HG23 THR A 80 0.260 -3.629 -6.097 1.00 61.51 H new ATOM 1277 N ILE A 81 1.571 -0.070 -9.072 1.00 34.23 N ATOM 1278 CA ILE A 81 2.155 0.775 -10.126 1.00 3.32 C ATOM 1279 C ILE A 81 2.643 2.132 -9.569 1.00 53.34 C ATOM 1280 O ILE A 81 3.464 2.810 -10.186 1.00 73.11 O ATOM 1281 CB ILE A 81 1.131 1.017 -11.271 1.00 22.34 C ATOM 1282 CG1 ILE A 81 1.792 1.731 -12.467 1.00 31.01 C ATOM 1283 CG2 ILE A 81 -0.071 1.818 -10.765 1.00 71.44 C ATOM 1284 CD1 ILE A 81 2.924 0.950 -13.104 1.00 63.40 C ATOM 0 H ILE A 81 0.590 -0.306 -9.224 1.00 34.23 H new ATOM 0 HA ILE A 81 3.018 0.239 -10.523 1.00 3.32 H new ATOM 0 HB ILE A 81 0.777 0.044 -11.612 1.00 22.34 H new ATOM 0 HG12 ILE A 81 1.032 1.931 -13.223 1.00 31.01 H new ATOM 0 HG13 ILE A 81 2.173 2.697 -12.135 1.00 31.01 H new ATOM 0 HG21 ILE A 81 -0.774 1.975 -11.583 1.00 71.44 H new ATOM 0 HG22 ILE A 81 -0.564 1.267 -9.964 1.00 71.44 H new ATOM 0 HG23 ILE A 81 0.268 2.783 -10.387 1.00 71.44 H new ATOM 0 HD11 ILE A 81 3.336 1.520 -13.937 1.00 63.40 H new ATOM 0 HD12 ILE A 81 3.705 0.773 -12.365 1.00 63.40 H new ATOM 0 HD13 ILE A 81 2.547 -0.005 -13.469 1.00 63.40 H new ATOM 1296 N GLN A 82 2.135 2.519 -8.397 1.00 43.12 N ATOM 1297 CA GLN A 82 2.539 3.774 -7.750 1.00 74.21 C ATOM 1298 C GLN A 82 3.907 3.643 -7.057 1.00 65.43 C ATOM 1299 O GLN A 82 4.556 4.644 -6.743 1.00 2.32 O ATOM 1300 CB GLN A 82 1.477 4.204 -6.726 1.00 30.23 C ATOM 1301 CG GLN A 82 0.100 4.445 -7.332 1.00 62.11 C ATOM 1302 CD GLN A 82 0.111 5.512 -8.413 1.00 50.33 C ATOM 1303 OE1 GLN A 82 0.919 6.435 -8.389 1.00 5.34 O ATOM 1304 NE2 GLN A 82 -0.785 5.396 -9.369 1.00 54.33 N ATOM 0 H GLN A 82 1.443 1.983 -7.874 1.00 43.12 H new ATOM 0 HA GLN A 82 2.628 4.533 -8.527 1.00 74.21 H new ATOM 0 HB2 GLN A 82 1.396 3.436 -5.957 1.00 30.23 H new ATOM 0 HB3 GLN A 82 1.811 5.116 -6.232 1.00 30.23 H new ATOM 0 HG2 GLN A 82 -0.275 3.512 -7.753 1.00 62.11 H new ATOM 0 HG3 GLN A 82 -0.592 4.740 -6.544 1.00 62.11 H new ATOM 0 HE21 GLN A 82 -1.443 4.616 -9.360 1.00 54.33 H new ATOM 0 HE22 GLN A 82 -0.822 6.086 -10.120 1.00 54.33 H new ATOM 1313 N ILE A 83 4.340 2.408 -6.828 1.00 3.22 N ATOM 1314 CA ILE A 83 5.601 2.150 -6.130 1.00 43.43 C ATOM 1315 C ILE A 83 6.800 2.269 -7.087 1.00 43.41 C ATOM 1316 O ILE A 83 7.177 1.309 -7.757 1.00 65.42 O ATOM 1317 CB ILE A 83 5.603 0.750 -5.461 1.00 21.20 C ATOM 1318 CG1 ILE A 83 4.344 0.566 -4.592 1.00 64.42 C ATOM 1319 CG2 ILE A 83 6.870 0.545 -4.628 1.00 62.21 C ATOM 1320 CD1 ILE A 83 4.163 1.639 -3.537 1.00 35.21 C ATOM 0 H ILE A 83 3.838 1.567 -7.114 1.00 3.22 H new ATOM 0 HA ILE A 83 5.695 2.907 -5.351 1.00 43.43 H new ATOM 0 HB ILE A 83 5.592 -0.004 -6.248 1.00 21.20 H new ATOM 0 HG12 ILE A 83 3.467 0.555 -5.239 1.00 64.42 H new ATOM 0 HG13 ILE A 83 4.392 -0.407 -4.102 1.00 64.42 H new ATOM 0 HG21 ILE A 83 6.848 -0.444 -4.169 1.00 62.21 H new ATOM 0 HG22 ILE A 83 7.746 0.627 -5.272 1.00 62.21 H new ATOM 0 HG23 ILE A 83 6.920 1.306 -3.849 1.00 62.21 H new ATOM 0 HD11 ILE A 83 3.255 1.440 -2.967 1.00 35.21 H new ATOM 0 HD12 ILE A 83 5.021 1.637 -2.865 1.00 35.21 H new ATOM 0 HD13 ILE A 83 4.082 2.613 -4.019 1.00 35.21 H new ATOM 1332 N ALA A 84 7.401 3.461 -7.133 1.00 65.14 N ATOM 1333 CA ALA A 84 8.524 3.747 -8.042 1.00 52.13 C ATOM 1334 C ALA A 84 9.793 2.932 -7.711 1.00 61.34 C ATOM 1335 O ALA A 84 10.824 3.089 -8.369 1.00 72.45 O ATOM 1336 CB ALA A 84 8.834 5.242 -8.026 1.00 4.41 C ATOM 0 H ALA A 84 7.129 4.251 -6.548 1.00 65.14 H new ATOM 0 HA ALA A 84 8.213 3.442 -9.041 1.00 52.13 H new ATOM 0 HB1 ALA A 84 9.665 5.448 -8.700 1.00 4.41 H new ATOM 0 HB2 ALA A 84 7.956 5.799 -8.352 1.00 4.41 H new ATOM 0 HB3 ALA A 84 9.102 5.547 -7.015 1.00 4.41 H new ATOM 1342 N ASN A 85 9.722 2.069 -6.697 1.00 51.44 N ATOM 1343 CA ASN A 85 10.860 1.218 -6.320 1.00 21.05 C ATOM 1344 C ASN A 85 10.470 -0.275 -6.298 1.00 0.23 C ATOM 1345 O ASN A 85 11.224 -1.110 -5.794 1.00 20.11 O ATOM 1346 CB ASN A 85 11.407 1.640 -4.947 1.00 3.52 C ATOM 1347 CG ASN A 85 10.381 1.486 -3.840 1.00 10.33 C ATOM 1348 OD1 ASN A 85 10.263 0.435 -3.225 1.00 3.54 O ATOM 1349 ND2 ASN A 85 9.633 2.533 -3.570 1.00 21.33 N ATOM 0 H ASN A 85 8.891 1.938 -6.120 1.00 51.44 H new ATOM 0 HA ASN A 85 11.636 1.350 -7.074 1.00 21.05 H new ATOM 0 HB2 ASN A 85 12.286 1.040 -4.710 1.00 3.52 H new ATOM 0 HB3 ASN A 85 11.733 2.679 -4.993 1.00 3.52 H new ATOM 0 HD21 ASN A 85 8.932 2.482 -2.831 1.00 21.33 H new ATOM 0 HD22 ASN A 85 9.754 3.396 -4.100 1.00 21.33 H new ATOM 1356 N PHE A 86 9.299 -0.601 -6.853 1.00 3.01 N ATOM 1357 CA PHE A 86 8.805 -1.985 -6.879 1.00 5.24 C ATOM 1358 C PHE A 86 9.778 -2.911 -7.645 1.00 13.12 C ATOM 1359 O PHE A 86 10.019 -2.718 -8.839 1.00 65.24 O ATOM 1360 CB PHE A 86 7.408 -2.018 -7.518 1.00 22.22 C ATOM 1361 CG PHE A 86 6.577 -3.206 -7.105 1.00 4.12 C ATOM 1362 CD1 PHE A 86 6.178 -3.342 -5.786 1.00 10.01 C ATOM 1363 CD2 PHE A 86 6.192 -4.172 -8.022 1.00 3.45 C ATOM 1364 CE1 PHE A 86 5.410 -4.418 -5.388 1.00 65.15 C ATOM 1365 CE2 PHE A 86 5.423 -5.251 -7.629 1.00 72.33 C ATOM 1366 CZ PHE A 86 5.032 -5.374 -6.309 1.00 31.13 C ATOM 0 H PHE A 86 8.673 0.074 -7.292 1.00 3.01 H new ATOM 0 HA PHE A 86 8.741 -2.353 -5.855 1.00 5.24 H new ATOM 0 HB2 PHE A 86 6.876 -1.104 -7.253 1.00 22.22 H new ATOM 0 HB3 PHE A 86 7.515 -2.021 -8.603 1.00 22.22 H new ATOM 0 HD1 PHE A 86 6.471 -2.598 -5.060 1.00 10.01 H new ATOM 0 HD2 PHE A 86 6.496 -4.080 -9.054 1.00 3.45 H new ATOM 0 HE1 PHE A 86 5.105 -4.512 -4.356 1.00 65.15 H new ATOM 0 HE2 PHE A 86 5.128 -5.997 -8.352 1.00 72.33 H new ATOM 0 HZ PHE A 86 4.432 -6.217 -5.999 1.00 31.13 H new