USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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 Single : A 19 SER OG : rot 4:sc= 0.906 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 0.839 (180deg=0.638) USER MOD Single : A 30 ASN : amide:sc= 1.53 K(o=1.5,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -0.0087 (180deg=-0.164) USER MOD Single : A 35 SER OG : rot -35:sc= 0.322 USER MOD Single : A 37 THR OG1 : rot -58:sc= 0.72 USER MOD Single : A 39 GLN : amide:sc= -1.22 K(o=-1.2,f=-11!) USER MOD Single : A 44 SER OG : rot 140:sc= 0.0888 USER MOD Single : A 46 GLN : amide:sc= -0.088 K(o=-0.088,f=-2.6!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 42:sc= 0.87 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= 0.706 USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= -0.0152 (180deg=-0.148) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -166:sc= 0.0183 USER MOD Single : A 82 GLN : amide:sc= -0.939 K(o=-0.94,f=-0.04) USER MOD Single : A 85 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.488 -11.796 -0.441 1.00 23.44 N ATOM 290 CA LEU A 18 -6.863 -10.817 0.462 1.00 75.13 C ATOM 291 C LEU A 18 -6.111 -11.519 1.612 1.00 20.24 C ATOM 292 O LEU A 18 -6.615 -12.474 2.210 1.00 54.02 O ATOM 293 CB LEU A 18 -7.959 -9.869 1.005 1.00 50.45 C ATOM 294 CG LEU A 18 -7.490 -8.602 1.760 1.00 21.02 C ATOM 295 CD1 LEU A 18 -7.083 -8.916 3.200 1.00 32.42 C ATOM 296 CD2 LEU A 18 -6.352 -7.911 1.007 1.00 14.44 C ATOM 0 HA LEU A 18 -6.124 -10.236 -0.090 1.00 75.13 H new ATOM 0 HB2 LEU A 18 -8.577 -9.552 0.165 1.00 50.45 H new ATOM 0 HB3 LEU A 18 -8.600 -10.443 1.674 1.00 50.45 H new ATOM 0 HG LEU A 18 -8.337 -7.917 1.806 1.00 21.02 H new ATOM 0 HD11 LEU A 18 -6.760 -8.000 3.695 1.00 32.42 H new ATOM 0 HD12 LEU A 18 -7.934 -9.337 3.735 1.00 32.42 H new ATOM 0 HD13 LEU A 18 -6.264 -9.635 3.198 1.00 32.42 H new ATOM 0 HD21 LEU A 18 -6.039 -7.023 1.556 1.00 14.44 H new ATOM 0 HD22 LEU A 18 -5.509 -8.596 0.913 1.00 14.44 H new ATOM 0 HD23 LEU A 18 -6.696 -7.621 0.014 1.00 14.44 H new ATOM 308 N SER A 19 -4.893 -11.048 1.896 1.00 13.14 N ATOM 309 CA SER A 19 -4.072 -11.572 3.005 1.00 42.23 C ATOM 310 C SER A 19 -3.135 -10.483 3.557 1.00 14.25 C ATOM 311 O SER A 19 -3.102 -9.372 3.040 1.00 72.41 O ATOM 312 CB SER A 19 -3.247 -12.792 2.550 1.00 14.44 C ATOM 313 OG SER A 19 -4.082 -13.909 2.259 1.00 61.14 O ATOM 0 H SER A 19 -4.445 -10.297 1.370 1.00 13.14 H new ATOM 0 HA SER A 19 -4.750 -11.885 3.799 1.00 42.23 H new ATOM 0 HB2 SER A 19 -2.667 -12.530 1.665 1.00 14.44 H new ATOM 0 HB3 SER A 19 -2.535 -13.062 3.330 1.00 14.44 H new ATOM 0 HG SER A 19 -5.022 -13.646 2.344 1.00 61.14 H new ATOM 319 N LEU A 20 -2.382 -10.801 4.612 1.00 44.23 N ATOM 320 CA LEU A 20 -1.452 -9.834 5.225 1.00 4.15 C ATOM 321 C LEU A 20 -0.248 -9.556 4.290 1.00 3.22 C ATOM 322 O LEU A 20 0.318 -10.480 3.704 1.00 11.54 O ATOM 323 CB LEU A 20 -0.973 -10.374 6.593 1.00 12.32 C ATOM 324 CG LEU A 20 -0.529 -9.324 7.641 1.00 20.42 C ATOM 325 CD1 LEU A 20 0.742 -8.591 7.214 1.00 1.13 C ATOM 326 CD2 LEU A 20 -1.657 -8.329 7.914 1.00 23.44 C ATOM 0 H LEU A 20 -2.393 -11.716 5.063 1.00 44.23 H new ATOM 0 HA LEU A 20 -1.974 -8.890 5.379 1.00 4.15 H new ATOM 0 HB2 LEU A 20 -1.779 -10.966 7.026 1.00 12.32 H new ATOM 0 HB3 LEU A 20 -0.138 -11.053 6.417 1.00 12.32 H new ATOM 0 HG LEU A 20 -0.301 -9.860 8.562 1.00 20.42 H new ATOM 0 HD11 LEU A 20 1.017 -7.864 7.978 1.00 1.13 H new ATOM 0 HD12 LEU A 20 1.552 -9.310 7.089 1.00 1.13 H new ATOM 0 HD13 LEU A 20 0.565 -8.075 6.270 1.00 1.13 H new ATOM 0 HD21 LEU A 20 -1.327 -7.599 8.653 1.00 23.44 H new ATOM 0 HD22 LEU A 20 -1.921 -7.816 6.989 1.00 23.44 H new ATOM 0 HD23 LEU A 20 -2.528 -8.862 8.295 1.00 23.44 H new ATOM 338 N LEU A 21 0.132 -8.282 4.154 1.00 72.53 N ATOM 339 CA LEU A 21 1.242 -7.878 3.272 1.00 14.43 C ATOM 340 C LEU A 21 2.614 -8.292 3.840 1.00 0.52 C ATOM 341 O LEU A 21 2.928 -8.020 5.002 1.00 64.23 O ATOM 342 CB LEU A 21 1.187 -6.360 3.033 1.00 54.24 C ATOM 343 CG LEU A 21 2.338 -5.756 2.208 1.00 21.53 C ATOM 344 CD1 LEU A 21 2.504 -6.472 0.871 1.00 62.11 C ATOM 345 CD2 LEU A 21 2.098 -4.265 1.983 1.00 1.02 C ATOM 0 H LEU A 21 -0.313 -7.506 4.644 1.00 72.53 H new ATOM 0 HA LEU A 21 1.123 -8.399 2.322 1.00 14.43 H new ATOM 0 HB2 LEU A 21 0.248 -6.127 2.531 1.00 54.24 H new ATOM 0 HB3 LEU A 21 1.163 -5.862 4.002 1.00 54.24 H new ATOM 0 HG LEU A 21 3.260 -5.889 2.773 1.00 21.53 H new ATOM 0 HD11 LEU A 21 3.325 -6.019 0.315 1.00 62.11 H new ATOM 0 HD12 LEU A 21 2.722 -7.525 1.047 1.00 62.11 H new ATOM 0 HD13 LEU A 21 1.583 -6.384 0.294 1.00 62.11 H new ATOM 0 HD21 LEU A 21 2.918 -3.849 1.398 1.00 1.02 H new ATOM 0 HD22 LEU A 21 1.161 -4.125 1.444 1.00 1.02 H new ATOM 0 HD23 LEU A 21 2.043 -3.756 2.945 1.00 1.02 H new ATOM 357 N GLU A 22 3.428 -8.946 3.002 1.00 23.35 N ATOM 358 CA GLU A 22 4.763 -9.410 3.407 1.00 24.34 C ATOM 359 C GLU A 22 5.710 -8.239 3.719 1.00 32.14 C ATOM 360 O GLU A 22 5.481 -7.110 3.294 1.00 52.32 O ATOM 361 CB GLU A 22 5.376 -10.302 2.315 1.00 62.02 C ATOM 362 CG GLU A 22 5.542 -9.612 0.965 1.00 24.42 C ATOM 363 CD GLU A 22 6.302 -10.468 -0.040 1.00 44.14 C ATOM 364 OE1 GLU A 22 5.705 -11.414 -0.598 1.00 61.41 O ATOM 365 OE2 GLU A 22 7.500 -10.207 -0.266 1.00 54.10 O ATOM 0 H GLU A 22 3.185 -9.167 2.036 1.00 23.35 H new ATOM 0 HA GLU A 22 4.639 -9.990 4.321 1.00 24.34 H new ATOM 0 HB2 GLU A 22 6.351 -10.653 2.653 1.00 62.02 H new ATOM 0 HB3 GLU A 22 4.747 -11.183 2.185 1.00 62.02 H new ATOM 0 HG2 GLU A 22 4.559 -9.370 0.561 1.00 24.42 H new ATOM 0 HG3 GLU A 22 6.069 -8.669 1.106 1.00 24.42 H new ATOM 372 N SER A 23 6.787 -8.530 4.448 1.00 55.22 N ATOM 373 CA SER A 23 7.722 -7.495 4.916 1.00 3.50 C ATOM 374 C SER A 23 8.411 -6.759 3.760 1.00 54.11 C ATOM 375 O SER A 23 8.497 -5.530 3.763 1.00 53.33 O ATOM 376 CB SER A 23 8.794 -8.118 5.819 1.00 40.42 C ATOM 377 OG SER A 23 9.562 -9.083 5.113 1.00 21.10 O ATOM 0 H SER A 23 7.038 -9.477 4.731 1.00 55.22 H new ATOM 0 HA SER A 23 7.131 -6.768 5.473 1.00 3.50 H new ATOM 0 HB2 SER A 23 9.450 -7.336 6.202 1.00 40.42 H new ATOM 0 HB3 SER A 23 8.320 -8.587 6.681 1.00 40.42 H new ATOM 0 HG SER A 23 10.239 -9.463 5.711 1.00 21.10 H new ATOM 383 N LYS A 24 8.892 -7.507 2.766 1.00 44.41 N ATOM 384 CA LYS A 24 9.652 -6.913 1.662 1.00 25.04 C ATOM 385 C LYS A 24 8.761 -6.058 0.746 1.00 13.04 C ATOM 386 O LYS A 24 9.203 -5.046 0.199 1.00 71.14 O ATOM 387 CB LYS A 24 10.377 -7.998 0.861 1.00 11.40 C ATOM 388 CG LYS A 24 11.402 -7.433 -0.127 1.00 41.03 C ATOM 389 CD LYS A 24 12.645 -8.313 -0.228 1.00 52.41 C ATOM 390 CE LYS A 24 13.322 -8.492 1.132 1.00 22.42 C ATOM 391 NZ LYS A 24 13.660 -7.188 1.772 1.00 45.33 N ATOM 0 H LYS A 24 8.771 -8.518 2.701 1.00 44.41 H new ATOM 0 HA LYS A 24 10.397 -6.248 2.098 1.00 25.04 H new ATOM 0 HB2 LYS A 24 10.881 -8.674 1.551 1.00 11.40 H new ATOM 0 HB3 LYS A 24 9.642 -8.589 0.314 1.00 11.40 H new ATOM 0 HG2 LYS A 24 10.943 -7.339 -1.111 1.00 41.03 H new ATOM 0 HG3 LYS A 24 11.692 -6.430 0.186 1.00 41.03 H new ATOM 0 HD2 LYS A 24 12.369 -9.288 -0.629 1.00 52.41 H new ATOM 0 HD3 LYS A 24 13.350 -7.868 -0.930 1.00 52.41 H new ATOM 0 HE2 LYS A 24 12.664 -9.058 1.791 1.00 22.42 H new ATOM 0 HE3 LYS A 24 14.231 -9.080 1.008 1.00 22.42 H new ATOM 0 HZ1 LYS A 24 14.304 -7.351 2.572 1.00 45.33 H new ATOM 0 HZ2 LYS A 24 14.122 -6.569 1.076 1.00 45.33 H new ATOM 0 HZ3 LYS A 24 12.790 -6.734 2.115 1.00 45.33 H new ATOM 405 N GLY A 25 7.511 -6.465 0.576 1.00 52.41 N ATOM 406 CA GLY A 25 6.543 -5.625 -0.113 1.00 24.32 C ATOM 407 C GLY A 25 6.169 -4.398 0.716 1.00 74.53 C ATOM 408 O GLY A 25 6.197 -3.268 0.231 1.00 12.14 O ATOM 0 H GLY A 25 7.147 -7.361 0.901 1.00 52.41 H new ATOM 0 HA2 GLY A 25 6.955 -5.306 -1.070 1.00 24.32 H new ATOM 0 HA3 GLY A 25 5.646 -6.205 -0.329 1.00 24.32 H new ATOM 412 N LEU A 26 5.860 -4.637 1.989 1.00 51.33 N ATOM 413 CA LEU A 26 5.458 -3.582 2.927 1.00 3.41 C ATOM 414 C LEU A 26 6.496 -2.450 3.004 1.00 31.33 C ATOM 415 O LEU A 26 6.142 -1.266 2.979 1.00 74.04 O ATOM 416 CB LEU A 26 5.238 -4.199 4.315 1.00 43.44 C ATOM 417 CG LEU A 26 4.779 -3.232 5.418 1.00 43.01 C ATOM 418 CD1 LEU A 26 3.461 -2.557 5.039 1.00 34.43 C ATOM 419 CD2 LEU A 26 4.645 -3.977 6.744 1.00 61.23 C ATOM 0 H LEU A 26 5.880 -5.569 2.403 1.00 51.33 H new ATOM 0 HA LEU A 26 4.531 -3.139 2.564 1.00 3.41 H new ATOM 0 HB2 LEU A 26 4.497 -4.993 4.224 1.00 43.44 H new ATOM 0 HB3 LEU A 26 6.169 -4.667 4.634 1.00 43.44 H new ATOM 0 HG LEU A 26 5.532 -2.452 5.530 1.00 43.01 H new ATOM 0 HD11 LEU A 26 3.158 -1.878 5.836 1.00 34.43 H new ATOM 0 HD12 LEU A 26 3.593 -1.996 4.114 1.00 34.43 H new ATOM 0 HD13 LEU A 26 2.691 -3.316 4.897 1.00 34.43 H new ATOM 0 HD21 LEU A 26 4.319 -3.284 7.520 1.00 61.23 H new ATOM 0 HD22 LEU A 26 3.911 -4.776 6.640 1.00 61.23 H new ATOM 0 HD23 LEU A 26 5.609 -4.404 7.021 1.00 61.23 H new ATOM 431 N GLU A 27 7.774 -2.809 3.094 1.00 10.24 N ATOM 432 CA GLU A 27 8.842 -1.808 3.149 1.00 22.41 C ATOM 433 C GLU A 27 8.884 -0.969 1.858 1.00 44.41 C ATOM 434 O GLU A 27 9.221 0.214 1.892 1.00 52.11 O ATOM 435 CB GLU A 27 10.207 -2.466 3.409 1.00 54.42 C ATOM 436 CG GLU A 27 10.691 -3.388 2.297 1.00 54.14 C ATOM 437 CD GLU A 27 12.054 -3.997 2.594 1.00 73.10 C ATOM 438 OE1 GLU A 27 13.069 -3.279 2.460 1.00 33.35 O ATOM 439 OE2 GLU A 27 12.119 -5.188 2.974 1.00 53.52 O ATOM 0 H GLU A 27 8.096 -3.776 3.130 1.00 10.24 H new ATOM 0 HA GLU A 27 8.623 -1.140 3.982 1.00 22.41 H new ATOM 0 HB2 GLU A 27 10.949 -1.683 3.562 1.00 54.42 H new ATOM 0 HB3 GLU A 27 10.150 -3.036 4.336 1.00 54.42 H new ATOM 0 HG2 GLU A 27 9.964 -4.187 2.150 1.00 54.14 H new ATOM 0 HG3 GLU A 27 10.743 -2.829 1.363 1.00 54.14 H new ATOM 446 N ALA A 28 8.508 -1.572 0.727 1.00 33.45 N ATOM 447 CA ALA A 28 8.474 -0.853 -0.552 1.00 52.54 C ATOM 448 C ALA A 28 7.428 0.271 -0.523 1.00 55.01 C ATOM 449 O ALA A 28 7.645 1.357 -1.073 1.00 32.31 O ATOM 450 CB ALA A 28 8.187 -1.815 -1.697 1.00 22.24 C ATOM 0 H ALA A 28 8.224 -2.550 0.669 1.00 33.45 H new ATOM 0 HA ALA A 28 9.453 -0.402 -0.712 1.00 52.54 H new ATOM 0 HB1 ALA A 28 8.165 -1.265 -2.638 1.00 22.24 H new ATOM 0 HB2 ALA A 28 8.968 -2.574 -1.739 1.00 22.24 H new ATOM 0 HB3 ALA A 28 7.222 -2.295 -1.535 1.00 22.24 H new ATOM 456 N LEU A 29 6.294 0.004 0.130 1.00 1.13 N ATOM 457 CA LEU A 29 5.265 1.030 0.348 1.00 1.32 C ATOM 458 C LEU A 29 5.818 2.181 1.203 1.00 42.13 C ATOM 459 O LEU A 29 5.707 3.350 0.832 1.00 34.45 O ATOM 460 CB LEU A 29 4.016 0.424 1.024 1.00 52.42 C ATOM 461 CG LEU A 29 3.057 -0.358 0.103 1.00 20.32 C ATOM 462 CD1 LEU A 29 2.469 0.555 -0.969 1.00 33.01 C ATOM 463 CD2 LEU A 29 3.755 -1.557 -0.532 1.00 64.53 C ATOM 0 H LEU A 29 6.063 -0.911 0.517 1.00 1.13 H new ATOM 0 HA LEU A 29 4.976 1.424 -0.626 1.00 1.32 H new ATOM 0 HB2 LEU A 29 4.347 -0.243 1.820 1.00 52.42 H new ATOM 0 HB3 LEU A 29 3.456 1.231 1.496 1.00 52.42 H new ATOM 0 HG LEU A 29 2.239 -0.734 0.718 1.00 20.32 H new ATOM 0 HD11 LEU A 29 1.796 -0.019 -1.606 1.00 33.01 H new ATOM 0 HD12 LEU A 29 1.916 1.365 -0.494 1.00 33.01 H new ATOM 0 HD13 LEU A 29 3.274 0.972 -1.574 1.00 33.01 H new ATOM 0 HD21 LEU A 29 3.053 -2.088 -1.175 1.00 64.53 H new ATOM 0 HD22 LEU A 29 4.602 -1.213 -1.125 1.00 64.53 H new ATOM 0 HD23 LEU A 29 4.109 -2.228 0.250 1.00 64.53 H new ATOM 475 N ASN A 30 6.429 1.837 2.338 1.00 24.24 N ATOM 476 CA ASN A 30 7.040 2.833 3.233 1.00 73.15 C ATOM 477 C ASN A 30 8.116 3.666 2.512 1.00 35.34 C ATOM 478 O ASN A 30 8.254 4.866 2.760 1.00 21.42 O ATOM 479 CB ASN A 30 7.629 2.145 4.470 1.00 73.21 C ATOM 480 CG ASN A 30 6.550 1.634 5.405 1.00 44.32 C ATOM 481 OD1 ASN A 30 6.136 2.325 6.327 1.00 60.15 O ATOM 482 ND2 ASN A 30 6.079 0.427 5.176 1.00 32.22 N ATOM 0 H ASN A 30 6.516 0.874 2.664 1.00 24.24 H new ATOM 0 HA ASN A 30 6.255 3.520 3.550 1.00 73.15 H new ATOM 0 HB2 ASN A 30 8.260 1.313 4.156 1.00 73.21 H new ATOM 0 HB3 ASN A 30 8.269 2.847 5.005 1.00 73.21 H new ATOM 0 HD21 ASN A 30 5.348 0.043 5.775 1.00 32.22 H new ATOM 0 HD22 ASN A 30 6.445 -0.124 4.400 1.00 32.22 H new ATOM 489 N LYS A 31 8.873 3.026 1.623 1.00 71.42 N ATOM 490 CA LYS A 31 9.826 3.740 0.761 1.00 14.11 C ATOM 491 C LYS A 31 9.103 4.778 -0.111 1.00 35.30 C ATOM 492 O LYS A 31 9.487 5.947 -0.161 1.00 51.30 O ATOM 493 CB LYS A 31 10.589 2.750 -0.138 1.00 5.00 C ATOM 494 CG LYS A 31 11.960 2.334 0.392 1.00 71.13 C ATOM 495 CD LYS A 31 11.891 1.680 1.768 1.00 63.33 C ATOM 496 CE LYS A 31 13.257 1.181 2.221 1.00 73.44 C ATOM 497 NZ LYS A 31 14.270 2.274 2.245 1.00 71.43 N ATOM 0 H LYS A 31 8.849 2.017 1.477 1.00 71.42 H new ATOM 0 HA LYS A 31 10.537 4.257 1.406 1.00 14.11 H new ATOM 0 HB2 LYS A 31 9.979 1.856 -0.271 1.00 5.00 H new ATOM 0 HB3 LYS A 31 10.716 3.198 -1.123 1.00 5.00 H new ATOM 0 HG2 LYS A 31 12.421 1.641 -0.312 1.00 71.13 H new ATOM 0 HG3 LYS A 31 12.605 3.211 0.444 1.00 71.13 H new ATOM 0 HD2 LYS A 31 11.506 2.397 2.493 1.00 63.33 H new ATOM 0 HD3 LYS A 31 11.189 0.846 1.740 1.00 63.33 H new ATOM 0 HE2 LYS A 31 13.172 0.744 3.216 1.00 73.44 H new ATOM 0 HE3 LYS A 31 13.594 0.389 1.552 1.00 73.44 H new ATOM 0 HZ1 LYS A 31 15.140 1.931 2.700 1.00 71.43 H new ATOM 0 HZ2 LYS A 31 14.483 2.571 1.271 1.00 71.43 H new ATOM 0 HZ3 LYS A 31 13.895 3.083 2.780 1.00 71.43 H new ATOM 511 N ALA A 32 8.056 4.334 -0.804 1.00 22.34 N ATOM 512 CA ALA A 32 7.282 5.210 -1.689 1.00 33.31 C ATOM 513 C ALA A 32 6.590 6.346 -0.916 1.00 55.21 C ATOM 514 O ALA A 32 6.430 7.449 -1.434 1.00 4.53 O ATOM 515 CB ALA A 32 6.266 4.390 -2.471 1.00 23.00 C ATOM 0 H ALA A 32 7.722 3.371 -0.771 1.00 22.34 H new ATOM 0 HA ALA A 32 7.976 5.679 -2.386 1.00 33.31 H new ATOM 0 HB1 ALA A 32 5.695 5.047 -3.126 1.00 23.00 H new ATOM 0 HB2 ALA A 32 6.786 3.643 -3.070 1.00 23.00 H new ATOM 0 HB3 ALA A 32 5.589 3.892 -1.777 1.00 23.00 H new ATOM 521 N ILE A 33 6.181 6.067 0.321 1.00 51.41 N ATOM 522 CA ILE A 33 5.578 7.089 1.188 1.00 54.30 C ATOM 523 C ILE A 33 6.583 8.207 1.501 1.00 0.51 C ATOM 524 O ILE A 33 6.300 9.386 1.292 1.00 25.02 O ATOM 525 CB ILE A 33 5.055 6.463 2.509 1.00 43.22 C ATOM 526 CG1 ILE A 33 3.873 5.520 2.214 1.00 23.12 C ATOM 527 CG2 ILE A 33 4.648 7.549 3.508 1.00 15.51 C ATOM 528 CD1 ILE A 33 3.310 4.828 3.436 1.00 63.25 C ATOM 0 H ILE A 33 6.254 5.144 0.749 1.00 51.41 H new ATOM 0 HA ILE A 33 4.734 7.519 0.649 1.00 54.30 H new ATOM 0 HB ILE A 33 5.861 5.884 2.960 1.00 43.22 H new ATOM 0 HG12 ILE A 33 3.078 6.092 1.736 1.00 23.12 H new ATOM 0 HG13 ILE A 33 4.196 4.764 1.499 1.00 23.12 H new ATOM 0 HG21 ILE A 33 4.285 7.083 4.424 1.00 15.51 H new ATOM 0 HG22 ILE A 33 5.510 8.175 3.736 1.00 15.51 H new ATOM 0 HG23 ILE A 33 3.858 8.163 3.076 1.00 15.51 H new ATOM 0 HD11 ILE A 33 2.482 4.184 3.140 1.00 63.25 H new ATOM 0 HD12 ILE A 33 4.089 4.226 3.905 1.00 63.25 H new ATOM 0 HD13 ILE A 33 2.953 5.575 4.145 1.00 63.25 H new ATOM 540 N VAL A 34 7.767 7.824 1.978 1.00 25.40 N ATOM 541 CA VAL A 34 8.840 8.788 2.251 1.00 24.25 C ATOM 542 C VAL A 34 9.298 9.478 0.952 1.00 52.14 C ATOM 543 O VAL A 34 9.760 10.618 0.960 1.00 3.13 O ATOM 544 CB VAL A 34 10.051 8.094 2.931 1.00 11.25 C ATOM 545 CG1 VAL A 34 11.170 9.090 3.234 1.00 54.41 C ATOM 546 CG2 VAL A 34 9.607 7.376 4.208 1.00 64.12 C ATOM 0 H VAL A 34 8.010 6.855 2.184 1.00 25.40 H new ATOM 0 HA VAL A 34 8.442 9.542 2.930 1.00 24.25 H new ATOM 0 HB VAL A 34 10.447 7.356 2.234 1.00 11.25 H new ATOM 0 HG11 VAL A 34 12.001 8.570 3.710 1.00 54.41 H new ATOM 0 HG12 VAL A 34 11.512 9.547 2.305 1.00 54.41 H new ATOM 0 HG13 VAL A 34 10.796 9.865 3.904 1.00 54.41 H new ATOM 0 HG21 VAL A 34 10.467 6.895 4.673 1.00 64.12 H new ATOM 0 HG22 VAL A 34 9.177 8.099 4.901 1.00 64.12 H new ATOM 0 HG23 VAL A 34 8.859 6.622 3.960 1.00 64.12 H new ATOM 556 N SER A 35 9.146 8.775 -0.170 1.00 2.53 N ATOM 557 CA SER A 35 9.490 9.324 -1.490 1.00 0.35 C ATOM 558 C SER A 35 8.340 10.159 -2.083 1.00 44.10 C ATOM 559 O SER A 35 8.520 10.836 -3.095 1.00 41.22 O ATOM 560 CB SER A 35 9.853 8.194 -2.462 1.00 33.31 C ATOM 561 OG SER A 35 10.216 8.699 -3.741 1.00 52.52 O ATOM 0 H SER A 35 8.786 7.821 -0.195 1.00 2.53 H new ATOM 0 HA SER A 35 10.349 9.980 -1.350 1.00 0.35 H new ATOM 0 HB2 SER A 35 10.679 7.612 -2.052 1.00 33.31 H new ATOM 0 HB3 SER A 35 9.006 7.516 -2.565 1.00 33.31 H new ATOM 0 HG SER A 35 9.676 9.491 -3.945 1.00 52.52 H new ATOM 567 N GLY A 36 7.162 10.097 -1.456 1.00 30.01 N ATOM 568 CA GLY A 36 6.006 10.871 -1.917 1.00 2.44 C ATOM 569 C GLY A 36 5.436 10.394 -3.256 1.00 74.31 C ATOM 570 O GLY A 36 5.224 11.193 -4.168 1.00 64.12 O ATOM 0 H GLY A 36 6.984 9.522 -0.632 1.00 30.01 H new ATOM 0 HA2 GLY A 36 5.222 10.821 -1.161 1.00 2.44 H new ATOM 0 HA3 GLY A 36 6.295 11.918 -2.008 1.00 2.44 H new ATOM 574 N THR A 37 5.179 9.091 -3.370 1.00 3.20 N ATOM 575 CA THR A 37 4.597 8.515 -4.599 1.00 22.52 C ATOM 576 C THR A 37 3.711 7.291 -4.291 1.00 64.14 C ATOM 577 O THR A 37 3.903 6.206 -4.842 1.00 43.01 O ATOM 578 CB THR A 37 5.698 8.134 -5.628 1.00 64.23 C ATOM 579 OG1 THR A 37 5.115 7.524 -6.798 1.00 45.41 O ATOM 580 CG2 THR A 37 6.734 7.193 -5.019 1.00 13.11 C ATOM 0 H THR A 37 5.361 8.410 -2.633 1.00 3.20 H new ATOM 0 HA THR A 37 3.968 9.288 -5.040 1.00 22.52 H new ATOM 0 HB THR A 37 6.202 9.056 -5.918 1.00 64.23 H new ATOM 0 HG1 THR A 37 4.600 6.734 -6.533 1.00 45.41 H new ATOM 0 HG21 THR A 37 7.488 6.948 -5.767 1.00 13.11 H new ATOM 0 HG22 THR A 37 7.212 7.679 -4.168 1.00 13.11 H new ATOM 0 HG23 THR A 37 6.243 6.278 -4.686 1.00 13.11 H new ATOM 588 N VAL A 38 2.745 7.473 -3.392 1.00 11.02 N ATOM 589 CA VAL A 38 1.771 6.422 -3.059 1.00 33.31 C ATOM 590 C VAL A 38 0.337 6.886 -3.344 1.00 3.53 C ATOM 591 O VAL A 38 -0.283 7.562 -2.518 1.00 31.23 O ATOM 592 CB VAL A 38 1.874 5.989 -1.573 1.00 33.13 C ATOM 593 CG1 VAL A 38 0.841 4.913 -1.243 1.00 62.33 C ATOM 594 CG2 VAL A 38 3.280 5.501 -1.251 1.00 42.24 C ATOM 0 H VAL A 38 2.612 8.342 -2.876 1.00 11.02 H new ATOM 0 HA VAL A 38 2.010 5.567 -3.691 1.00 33.31 H new ATOM 0 HB VAL A 38 1.663 6.860 -0.953 1.00 33.13 H new ATOM 0 HG11 VAL A 38 0.935 4.628 -0.195 1.00 62.33 H new ATOM 0 HG12 VAL A 38 -0.161 5.302 -1.425 1.00 62.33 H new ATOM 0 HG13 VAL A 38 1.011 4.040 -1.873 1.00 62.33 H new ATOM 0 HG21 VAL A 38 3.331 5.202 -0.204 1.00 42.24 H new ATOM 0 HG22 VAL A 38 3.523 4.648 -1.884 1.00 42.24 H new ATOM 0 HG23 VAL A 38 3.995 6.303 -1.434 1.00 42.24 H new ATOM 604 N GLN A 39 -0.180 6.530 -4.516 1.00 1.14 N ATOM 605 CA GLN A 39 -1.538 6.913 -4.913 1.00 4.12 C ATOM 606 C GLN A 39 -2.577 5.890 -4.428 1.00 5.11 C ATOM 607 O GLN A 39 -2.493 4.699 -4.750 1.00 22.20 O ATOM 608 CB GLN A 39 -1.646 7.062 -6.443 1.00 54.12 C ATOM 609 CG GLN A 39 -0.749 8.147 -7.052 1.00 44.22 C ATOM 610 CD GLN A 39 0.687 7.698 -7.302 1.00 63.34 C ATOM 611 OE1 GLN A 39 1.229 6.855 -6.598 1.00 70.11 O ATOM 612 NE2 GLN A 39 1.314 8.254 -8.316 1.00 52.12 N ATOM 0 H GLN A 39 0.319 5.976 -5.211 1.00 1.14 H new ATOM 0 HA GLN A 39 -1.747 7.874 -4.443 1.00 4.12 H new ATOM 0 HB2 GLN A 39 -1.399 6.106 -6.905 1.00 54.12 H new ATOM 0 HB3 GLN A 39 -2.682 7.282 -6.700 1.00 54.12 H new ATOM 0 HG2 GLN A 39 -1.185 8.477 -7.995 1.00 44.22 H new ATOM 0 HG3 GLN A 39 -0.738 9.010 -6.387 1.00 44.22 H new ATOM 0 HE21 GLN A 39 0.840 8.954 -8.887 1.00 52.12 H new ATOM 0 HE22 GLN A 39 2.274 7.985 -8.531 1.00 52.12 H new ATOM 621 N ARG A 40 -3.553 6.360 -3.654 1.00 41.01 N ATOM 622 CA ARG A 40 -4.678 5.518 -3.225 1.00 21.32 C ATOM 623 C ARG A 40 -5.762 5.483 -4.317 1.00 42.23 C ATOM 624 O ARG A 40 -5.744 6.301 -5.233 1.00 42.42 O ATOM 625 CB ARG A 40 -5.288 6.066 -1.925 1.00 13.14 C ATOM 626 CG ARG A 40 -4.275 6.301 -0.807 1.00 43.24 C ATOM 627 CD ARG A 40 -4.946 6.834 0.457 1.00 74.25 C ATOM 628 NE ARG A 40 -5.719 8.050 0.204 1.00 15.24 N ATOM 629 CZ ARG A 40 -6.686 8.477 0.973 1.00 55.42 C ATOM 630 NH1 ARG A 40 -7.013 7.827 2.045 1.00 22.34 N ATOM 631 NH2 ARG A 40 -7.332 9.553 0.657 1.00 72.45 N ATOM 0 H ARG A 40 -3.591 7.319 -3.309 1.00 41.01 H new ATOM 0 HA ARG A 40 -4.305 4.509 -3.052 1.00 21.32 H new ATOM 0 HB2 ARG A 40 -5.795 7.006 -2.143 1.00 13.14 H new ATOM 0 HB3 ARG A 40 -6.047 5.368 -1.571 1.00 13.14 H new ATOM 0 HG2 ARG A 40 -3.760 5.368 -0.580 1.00 43.24 H new ATOM 0 HG3 ARG A 40 -3.518 7.009 -1.144 1.00 43.24 H new ATOM 0 HD2 ARG A 40 -5.603 6.067 0.868 1.00 74.25 H new ATOM 0 HD3 ARG A 40 -4.186 7.040 1.210 1.00 74.25 H new ATOM 0 HE ARG A 40 -5.489 8.599 -0.624 1.00 15.24 H new ATOM 0 HH11 ARG A 40 -6.514 6.973 2.296 1.00 22.34 H new ATOM 0 HH12 ARG A 40 -7.769 8.169 2.638 1.00 22.34 H new ATOM 0 HH21 ARG A 40 -7.086 10.065 -0.190 1.00 72.45 H new ATOM 0 HH22 ARG A 40 -8.087 9.889 1.255 1.00 72.45 H new ATOM 645 N ALA A 41 -6.713 4.555 -4.210 1.00 64.24 N ATOM 646 CA ALA A 41 -7.834 4.499 -5.158 1.00 21.10 C ATOM 647 C ALA A 41 -8.609 5.825 -5.161 1.00 64.12 C ATOM 648 O ALA A 41 -9.109 6.270 -6.197 1.00 10.03 O ATOM 649 CB ALA A 41 -8.758 3.338 -4.821 1.00 51.34 C ATOM 0 H ALA A 41 -6.734 3.837 -3.486 1.00 64.24 H new ATOM 0 HA ALA A 41 -7.431 4.339 -6.158 1.00 21.10 H new ATOM 0 HB1 ALA A 41 -9.583 3.311 -5.533 1.00 51.34 H new ATOM 0 HB2 ALA A 41 -8.201 2.402 -4.875 1.00 51.34 H new ATOM 0 HB3 ALA A 41 -9.153 3.468 -3.813 1.00 51.34 H new ATOM 655 N ASP A 42 -8.706 6.441 -3.982 1.00 62.52 N ATOM 656 CA ASP A 42 -9.221 7.808 -3.849 1.00 43.23 C ATOM 657 C ASP A 42 -8.488 8.768 -4.801 1.00 3.52 C ATOM 658 O ASP A 42 -9.112 9.588 -5.481 1.00 33.25 O ATOM 659 CB ASP A 42 -9.056 8.273 -2.394 1.00 43.33 C ATOM 660 CG ASP A 42 -9.238 9.772 -2.233 1.00 34.25 C ATOM 661 OD1 ASP A 42 -10.393 10.238 -2.167 1.00 11.22 O ATOM 662 OD2 ASP A 42 -8.219 10.494 -2.178 1.00 72.21 O ATOM 0 H ASP A 42 -8.433 6.012 -3.098 1.00 62.52 H new ATOM 0 HA ASP A 42 -10.277 7.814 -4.117 1.00 43.23 H new ATOM 0 HB2 ASP A 42 -9.781 7.754 -1.767 1.00 43.33 H new ATOM 0 HB3 ASP A 42 -8.065 7.991 -2.037 1.00 43.33 H new ATOM 667 N GLY A 43 -7.164 8.644 -4.851 1.00 0.20 N ATOM 668 CA GLY A 43 -6.350 9.510 -5.693 1.00 12.12 C ATOM 669 C GLY A 43 -5.248 10.226 -4.922 1.00 55.10 C ATOM 670 O GLY A 43 -4.154 10.440 -5.446 1.00 5.03 O ATOM 0 H GLY A 43 -6.635 7.953 -4.319 1.00 0.20 H new ATOM 0 HA2 GLY A 43 -5.902 8.916 -6.489 1.00 12.12 H new ATOM 0 HA3 GLY A 43 -6.992 10.251 -6.171 1.00 12.12 H new ATOM 674 N SER A 44 -5.530 10.603 -3.673 1.00 21.21 N ATOM 675 CA SER A 44 -4.554 11.332 -2.844 1.00 15.22 C ATOM 676 C SER A 44 -3.350 10.460 -2.467 1.00 11.25 C ATOM 677 O SER A 44 -3.408 9.225 -2.513 1.00 63.41 O ATOM 678 CB SER A 44 -5.213 11.864 -1.564 1.00 3.41 C ATOM 679 OG SER A 44 -5.544 10.808 -0.675 1.00 22.44 O ATOM 0 H SER A 44 -6.420 10.419 -3.211 1.00 21.21 H new ATOM 0 HA SER A 44 -4.197 12.167 -3.447 1.00 15.22 H new ATOM 0 HB2 SER A 44 -4.538 12.561 -1.068 1.00 3.41 H new ATOM 0 HB3 SER A 44 -6.114 12.421 -1.821 1.00 3.41 H new ATOM 0 HG SER A 44 -5.346 11.081 0.245 1.00 22.44 H new ATOM 685 N ILE A 45 -2.256 11.116 -2.081 1.00 23.23 N ATOM 686 CA ILE A 45 -1.028 10.422 -1.688 1.00 42.02 C ATOM 687 C ILE A 45 -1.049 10.048 -0.194 1.00 13.23 C ATOM 688 O ILE A 45 -1.518 10.819 0.642 1.00 4.31 O ATOM 689 CB ILE A 45 0.220 11.301 -1.977 1.00 51.21 C ATOM 690 CG1 ILE A 45 0.267 11.712 -3.462 1.00 72.44 C ATOM 691 CG2 ILE A 45 1.506 10.571 -1.580 1.00 13.52 C ATOM 692 CD1 ILE A 45 0.398 10.545 -4.417 1.00 4.23 C ATOM 0 H ILE A 45 -2.195 12.133 -2.032 1.00 23.23 H new ATOM 0 HA ILE A 45 -0.972 9.508 -2.279 1.00 42.02 H new ATOM 0 HB ILE A 45 0.142 12.205 -1.373 1.00 51.21 H new ATOM 0 HG12 ILE A 45 -0.639 12.267 -3.704 1.00 72.44 H new ATOM 0 HG13 ILE A 45 1.107 12.390 -3.615 1.00 72.44 H new ATOM 0 HG21 ILE A 45 2.366 11.207 -1.792 1.00 13.52 H new ATOM 0 HG22 ILE A 45 1.479 10.340 -0.515 1.00 13.52 H new ATOM 0 HG23 ILE A 45 1.590 9.646 -2.150 1.00 13.52 H new ATOM 0 HD11 ILE A 45 0.424 10.915 -5.442 1.00 4.23 H new ATOM 0 HD12 ILE A 45 1.318 10.002 -4.203 1.00 4.23 H new ATOM 0 HD13 ILE A 45 -0.454 9.877 -4.294 1.00 4.23 H new ATOM 704 N GLN A 46 -0.549 8.857 0.134 1.00 23.43 N ATOM 705 CA GLN A 46 -0.450 8.420 1.533 1.00 23.51 C ATOM 706 C GLN A 46 0.823 8.976 2.198 1.00 54.30 C ATOM 707 O GLN A 46 1.932 8.541 1.891 1.00 44.05 O ATOM 708 CB GLN A 46 -0.466 6.885 1.610 1.00 50.25 C ATOM 709 CG GLN A 46 -0.428 6.324 3.032 1.00 73.42 C ATOM 710 CD GLN A 46 -1.574 6.824 3.898 1.00 13.41 C ATOM 711 OE1 GLN A 46 -1.451 7.827 4.590 1.00 32.41 O ATOM 712 NE2 GLN A 46 -2.698 6.135 3.854 1.00 52.22 N ATOM 0 H GLN A 46 -0.206 8.177 -0.545 1.00 23.43 H new ATOM 0 HA GLN A 46 -1.311 8.811 2.074 1.00 23.51 H new ATOM 0 HB2 GLN A 46 -1.363 6.518 1.111 1.00 50.25 H new ATOM 0 HB3 GLN A 46 0.389 6.497 1.056 1.00 50.25 H new ATOM 0 HG2 GLN A 46 -0.461 5.235 2.988 1.00 73.42 H new ATOM 0 HG3 GLN A 46 0.519 6.596 3.499 1.00 73.42 H new ATOM 0 HE21 GLN A 46 -2.764 5.304 3.266 1.00 52.22 H new ATOM 0 HE22 GLN A 46 -3.501 6.433 4.408 1.00 52.22 H new ATOM 721 N ASN A 47 0.652 9.939 3.107 1.00 0.24 N ATOM 722 CA ASN A 47 1.787 10.599 3.773 1.00 54.31 C ATOM 723 C ASN A 47 2.267 9.839 5.022 1.00 75.21 C ATOM 724 O ASN A 47 3.427 9.962 5.422 1.00 51.12 O ATOM 725 CB ASN A 47 1.412 12.034 4.167 1.00 41.02 C ATOM 726 CG ASN A 47 1.115 12.908 2.964 1.00 51.00 C ATOM 727 OD1 ASN A 47 -0.023 13.015 2.521 1.00 33.55 O ATOM 728 ND2 ASN A 47 2.136 13.552 2.432 1.00 22.03 N ATOM 0 H ASN A 47 -0.262 10.282 3.402 1.00 0.24 H new ATOM 0 HA ASN A 47 2.607 10.607 3.055 1.00 54.31 H new ATOM 0 HB2 ASN A 47 0.540 12.012 4.820 1.00 41.02 H new ATOM 0 HB3 ASN A 47 2.228 12.475 4.740 1.00 41.02 H new ATOM 0 HD21 ASN A 47 1.991 14.162 1.627 1.00 22.03 H new ATOM 0 HD22 ASN A 47 3.070 13.440 2.826 1.00 22.03 H new ATOM 735 N GLN A 48 1.378 9.067 5.644 1.00 24.21 N ATOM 736 CA GLN A 48 1.721 8.347 6.877 1.00 20.44 C ATOM 737 C GLN A 48 2.382 6.989 6.582 1.00 50.14 C ATOM 738 O GLN A 48 1.771 6.107 5.977 1.00 15.14 O ATOM 739 CB GLN A 48 0.473 8.147 7.747 1.00 2.15 C ATOM 740 CG GLN A 48 -0.124 9.448 8.274 1.00 63.52 C ATOM 741 CD GLN A 48 -1.298 9.222 9.211 1.00 20.44 C ATOM 742 OE1 GLN A 48 -1.128 9.087 10.421 1.00 52.04 O ATOM 743 NE2 GLN A 48 -2.496 9.179 8.668 1.00 40.43 N ATOM 0 H GLN A 48 0.421 8.922 5.321 1.00 24.21 H new ATOM 0 HA GLN A 48 2.443 8.958 7.420 1.00 20.44 H new ATOM 0 HB2 GLN A 48 -0.283 7.620 7.165 1.00 2.15 H new ATOM 0 HB3 GLN A 48 0.729 7.507 8.591 1.00 2.15 H new ATOM 0 HG2 GLN A 48 0.649 10.011 8.797 1.00 63.52 H new ATOM 0 HG3 GLN A 48 -0.450 10.060 7.433 1.00 63.52 H new ATOM 0 HE21 GLN A 48 -2.604 9.295 7.660 1.00 40.43 H new ATOM 0 HE22 GLN A 48 -3.317 9.030 9.255 1.00 40.43 H new ATOM 752 N SER A 49 3.634 6.833 7.021 1.00 34.13 N ATOM 753 CA SER A 49 4.383 5.580 6.839 1.00 41.15 C ATOM 754 C SER A 49 3.686 4.396 7.523 1.00 53.11 C ATOM 755 O SER A 49 3.793 4.216 8.738 1.00 13.53 O ATOM 756 CB SER A 49 5.809 5.722 7.393 1.00 74.11 C ATOM 757 OG SER A 49 5.804 6.000 8.790 1.00 21.22 O ATOM 0 H SER A 49 4.155 7.562 7.508 1.00 34.13 H new ATOM 0 HA SER A 49 4.423 5.381 5.768 1.00 41.15 H new ATOM 0 HB2 SER A 49 6.366 4.804 7.206 1.00 74.11 H new ATOM 0 HB3 SER A 49 6.327 6.522 6.864 1.00 74.11 H new ATOM 0 HG SER A 49 5.124 5.449 9.231 1.00 21.22 H new ATOM 763 N LEU A 50 2.969 3.593 6.744 1.00 73.14 N ATOM 764 CA LEU A 50 2.263 2.430 7.285 1.00 35.34 C ATOM 765 C LEU A 50 3.155 1.171 7.324 1.00 40.42 C ATOM 766 O LEU A 50 3.506 0.594 6.297 1.00 61.41 O ATOM 767 CB LEU A 50 0.943 2.175 6.516 1.00 25.31 C ATOM 768 CG LEU A 50 0.950 2.469 4.995 1.00 45.45 C ATOM 769 CD1 LEU A 50 1.728 1.416 4.209 1.00 44.42 C ATOM 770 CD2 LEU A 50 -0.478 2.588 4.463 1.00 61.43 C ATOM 0 H LEU A 50 2.860 3.723 5.738 1.00 73.14 H new ATOM 0 HA LEU A 50 2.007 2.659 8.320 1.00 35.34 H new ATOM 0 HB2 LEU A 50 0.664 1.131 6.658 1.00 25.31 H new ATOM 0 HB3 LEU A 50 0.161 2.780 6.975 1.00 25.31 H new ATOM 0 HG LEU A 50 1.460 3.422 4.853 1.00 45.45 H new ATOM 0 HD11 LEU A 50 1.705 1.664 3.148 1.00 44.42 H new ATOM 0 HD12 LEU A 50 2.762 1.394 4.555 1.00 44.42 H new ATOM 0 HD13 LEU A 50 1.273 0.437 4.363 1.00 44.42 H new ATOM 0 HD21 LEU A 50 -0.452 2.795 3.393 1.00 61.43 H new ATOM 0 HD22 LEU A 50 -1.011 1.654 4.639 1.00 61.43 H new ATOM 0 HD23 LEU A 50 -0.991 3.401 4.977 1.00 61.43 H new ATOM 782 N HIS A 51 3.530 0.758 8.533 1.00 13.04 N ATOM 783 CA HIS A 51 4.311 -0.470 8.730 1.00 42.54 C ATOM 784 C HIS A 51 3.388 -1.660 9.029 1.00 3.34 C ATOM 785 O HIS A 51 3.805 -2.670 9.603 1.00 41.12 O ATOM 786 CB HIS A 51 5.332 -0.275 9.858 1.00 62.32 C ATOM 787 CG HIS A 51 6.395 0.728 9.524 1.00 25.15 C ATOM 788 ND1 HIS A 51 6.405 2.020 10.008 1.00 4.32 N ATOM 789 CD2 HIS A 51 7.498 0.620 8.742 1.00 74.24 C ATOM 790 CE1 HIS A 51 7.457 2.659 9.536 1.00 42.23 C ATOM 791 NE2 HIS A 51 8.136 1.835 8.769 1.00 32.50 N ATOM 0 H HIS A 51 3.307 1.255 9.396 1.00 13.04 H new ATOM 0 HA HIS A 51 4.852 -0.688 7.809 1.00 42.54 H new ATOM 0 HB2 HIS A 51 4.811 0.044 10.760 1.00 62.32 H new ATOM 0 HB3 HIS A 51 5.802 -1.232 10.083 1.00 62.32 H new ATOM 0 HD2 HIS A 51 7.815 -0.258 8.199 1.00 74.24 H new ATOM 0 HE1 HIS A 51 7.717 3.686 9.744 1.00 42.23 H new ATOM 0 HE2 HIS A 51 8.998 2.062 8.274 1.00 32.50 H new ATOM 800 N GLU A 52 2.133 -1.530 8.610 1.00 42.43 N ATOM 801 CA GLU A 52 1.138 -2.595 8.739 1.00 12.41 C ATOM 802 C GLU A 52 0.062 -2.425 7.654 1.00 34.50 C ATOM 803 O GLU A 52 -0.563 -1.364 7.550 1.00 63.25 O ATOM 804 CB GLU A 52 0.509 -2.550 10.140 1.00 72.42 C ATOM 805 CG GLU A 52 -0.451 -3.693 10.442 1.00 44.44 C ATOM 806 CD GLU A 52 -0.903 -3.691 11.895 1.00 11.32 C ATOM 807 OE1 GLU A 52 -0.180 -4.252 12.746 1.00 1.02 O ATOM 808 OE2 GLU A 52 -1.967 -3.114 12.202 1.00 31.34 O ATOM 0 H GLU A 52 1.774 -0.682 8.170 1.00 42.43 H new ATOM 0 HA GLU A 52 1.618 -3.565 8.607 1.00 12.41 H new ATOM 0 HB2 GLU A 52 1.307 -2.558 10.882 1.00 72.42 H new ATOM 0 HB3 GLU A 52 -0.024 -1.606 10.254 1.00 72.42 H new ATOM 0 HG2 GLU A 52 -1.322 -3.616 9.792 1.00 44.44 H new ATOM 0 HG3 GLU A 52 0.033 -4.643 10.215 1.00 44.44 H new ATOM 815 N ALA A 53 -0.156 -3.464 6.851 1.00 10.11 N ATOM 816 CA ALA A 53 -1.059 -3.364 5.700 1.00 71.23 C ATOM 817 C ALA A 53 -1.469 -4.739 5.149 1.00 21.10 C ATOM 818 O ALA A 53 -0.956 -5.779 5.573 1.00 10.42 O ATOM 819 CB ALA A 53 -0.408 -2.532 4.596 1.00 74.51 C ATOM 0 H ALA A 53 0.276 -4.380 6.972 1.00 10.11 H new ATOM 0 HA ALA A 53 -1.968 -2.873 6.047 1.00 71.23 H new ATOM 0 HB1 ALA A 53 -1.086 -2.463 3.745 1.00 74.51 H new ATOM 0 HB2 ALA A 53 -0.195 -1.531 4.972 1.00 74.51 H new ATOM 0 HB3 ALA A 53 0.521 -3.007 4.282 1.00 74.51 H new ATOM 825 N LEU A 54 -2.391 -4.725 4.193 1.00 62.35 N ATOM 826 CA LEU A 54 -2.906 -5.942 3.556 1.00 30.44 C ATOM 827 C LEU A 54 -2.536 -5.975 2.064 1.00 33.12 C ATOM 828 O LEU A 54 -2.277 -4.940 1.456 1.00 44.13 O ATOM 829 CB LEU A 54 -4.432 -5.995 3.711 1.00 22.13 C ATOM 830 CG LEU A 54 -4.946 -6.011 5.159 1.00 14.40 C ATOM 831 CD1 LEU A 54 -6.443 -5.722 5.202 1.00 61.41 C ATOM 832 CD2 LEU A 54 -4.634 -7.350 5.828 1.00 55.00 C ATOM 0 H LEU A 54 -2.808 -3.867 3.833 1.00 62.35 H new ATOM 0 HA LEU A 54 -2.456 -6.807 4.043 1.00 30.44 H new ATOM 0 HB2 LEU A 54 -4.862 -5.134 3.200 1.00 22.13 H new ATOM 0 HB3 LEU A 54 -4.801 -6.885 3.202 1.00 22.13 H new ATOM 0 HG LEU A 54 -4.431 -5.226 5.713 1.00 14.40 H new ATOM 0 HD11 LEU A 54 -6.787 -5.738 6.236 1.00 61.41 H new ATOM 0 HD12 LEU A 54 -6.637 -4.740 4.770 1.00 61.41 H new ATOM 0 HD13 LEU A 54 -6.977 -6.481 4.630 1.00 61.41 H new ATOM 0 HD21 LEU A 54 -5.006 -7.340 6.852 1.00 55.00 H new ATOM 0 HD22 LEU A 54 -5.117 -8.155 5.274 1.00 55.00 H new ATOM 0 HD23 LEU A 54 -3.556 -7.511 5.835 1.00 55.00 H new ATOM 844 N ILE A 55 -2.523 -7.164 1.477 1.00 54.21 N ATOM 845 CA ILE A 55 -2.152 -7.328 0.068 1.00 64.41 C ATOM 846 C ILE A 55 -3.035 -8.372 -0.628 1.00 52.20 C ATOM 847 O ILE A 55 -3.450 -9.361 -0.021 1.00 22.00 O ATOM 848 CB ILE A 55 -0.668 -7.770 -0.067 1.00 21.13 C ATOM 849 CG1 ILE A 55 -0.211 -7.761 -1.537 1.00 12.22 C ATOM 850 CG2 ILE A 55 -0.452 -9.155 0.544 1.00 33.30 C ATOM 851 CD1 ILE A 55 -0.195 -6.387 -2.171 1.00 42.11 C ATOM 0 H ILE A 55 -2.765 -8.034 1.951 1.00 54.21 H new ATOM 0 HA ILE A 55 -2.295 -6.359 -0.410 1.00 64.41 H new ATOM 0 HB ILE A 55 -0.063 -7.049 0.482 1.00 21.13 H new ATOM 0 HG12 ILE A 55 0.790 -8.189 -1.598 1.00 12.22 H new ATOM 0 HG13 ILE A 55 -0.870 -8.408 -2.115 1.00 12.22 H new ATOM 0 HG21 ILE A 55 0.594 -9.441 0.437 1.00 33.30 H new ATOM 0 HG22 ILE A 55 -0.715 -9.131 1.602 1.00 33.30 H new ATOM 0 HG23 ILE A 55 -1.081 -9.882 0.030 1.00 33.30 H new ATOM 0 HD11 ILE A 55 0.138 -6.468 -3.206 1.00 42.11 H new ATOM 0 HD12 ILE A 55 -1.199 -5.963 -2.145 1.00 42.11 H new ATOM 0 HD13 ILE A 55 0.487 -5.740 -1.620 1.00 42.11 H new ATOM 863 N THR A 56 -3.340 -8.132 -1.899 1.00 72.12 N ATOM 864 CA THR A 56 -3.936 -9.171 -2.743 1.00 14.22 C ATOM 865 C THR A 56 -2.899 -10.264 -3.027 1.00 45.44 C ATOM 866 O THR A 56 -1.729 -9.966 -3.257 1.00 11.30 O ATOM 867 CB THR A 56 -4.446 -8.600 -4.090 1.00 52.33 C ATOM 868 OG1 THR A 56 -3.377 -7.928 -4.780 1.00 33.31 O ATOM 869 CG2 THR A 56 -5.607 -7.631 -3.873 1.00 63.00 C ATOM 0 H THR A 56 -3.188 -7.238 -2.367 1.00 72.12 H new ATOM 0 HA THR A 56 -4.788 -9.583 -2.202 1.00 14.22 H new ATOM 0 HB THR A 56 -4.801 -9.434 -4.695 1.00 52.33 H new ATOM 0 HG1 THR A 56 -2.563 -7.964 -4.236 1.00 33.31 H new ATOM 0 HG21 THR A 56 -5.944 -7.246 -4.835 1.00 63.00 H new ATOM 0 HG22 THR A 56 -6.429 -8.152 -3.382 1.00 63.00 H new ATOM 0 HG23 THR A 56 -5.277 -6.802 -3.246 1.00 63.00 H new ATOM 877 N ARG A 57 -3.314 -11.527 -3.017 1.00 52.04 N ATOM 878 CA ARG A 57 -2.373 -12.642 -3.190 1.00 13.23 C ATOM 879 C ARG A 57 -1.799 -12.711 -4.617 1.00 43.22 C ATOM 880 O ARG A 57 -0.884 -13.488 -4.890 1.00 55.30 O ATOM 881 CB ARG A 57 -3.040 -13.967 -2.800 1.00 32.01 C ATOM 882 CG ARG A 57 -3.596 -13.964 -1.377 1.00 14.52 C ATOM 883 CD ARG A 57 -3.939 -15.364 -0.890 1.00 50.23 C ATOM 884 NE ARG A 57 -2.747 -16.201 -0.761 1.00 50.44 N ATOM 885 CZ ARG A 57 -2.267 -16.626 0.378 1.00 3.50 C ATOM 886 NH1 ARG A 57 -2.812 -16.274 1.500 1.00 1.31 N ATOM 887 NH2 ARG A 57 -1.221 -17.386 0.391 1.00 34.51 N ATOM 0 H ARG A 57 -4.286 -11.808 -2.892 1.00 52.04 H new ATOM 0 HA ARG A 57 -1.529 -12.462 -2.524 1.00 13.23 H new ATOM 0 HB2 ARG A 57 -3.849 -14.179 -3.499 1.00 32.01 H new ATOM 0 HB3 ARG A 57 -2.314 -14.774 -2.898 1.00 32.01 H new ATOM 0 HG2 ARG A 57 -2.865 -13.516 -0.704 1.00 14.52 H new ATOM 0 HG3 ARG A 57 -4.488 -13.339 -1.339 1.00 14.52 H new ATOM 0 HD2 ARG A 57 -4.444 -15.300 0.074 1.00 50.23 H new ATOM 0 HD3 ARG A 57 -4.637 -15.830 -1.586 1.00 50.23 H new ATOM 0 HE ARG A 57 -2.259 -16.471 -1.615 1.00 50.44 H new ATOM 0 HH11 ARG A 57 -3.625 -15.658 1.501 1.00 1.31 H new ATOM 0 HH12 ARG A 57 -2.428 -16.613 2.382 1.00 1.31 H new ATOM 0 HH21 ARG A 57 -0.773 -17.652 -0.486 1.00 34.51 H new ATOM 0 HH22 ARG A 57 -0.844 -17.719 1.278 1.00 34.51 H new ATOM 901 N ASP A 58 -2.343 -11.895 -5.520 1.00 1.45 N ATOM 902 CA ASP A 58 -1.782 -11.722 -6.867 1.00 31.23 C ATOM 903 C ASP A 58 -0.809 -10.521 -6.894 1.00 5.55 C ATOM 904 O ASP A 58 -0.092 -10.301 -7.870 1.00 13.34 O ATOM 905 CB ASP A 58 -2.921 -11.528 -7.880 1.00 64.45 C ATOM 906 CG ASP A 58 -2.425 -11.375 -9.309 1.00 53.25 C ATOM 907 OD1 ASP A 58 -1.851 -12.341 -9.854 1.00 10.41 O ATOM 908 OD2 ASP A 58 -2.613 -10.293 -9.898 1.00 3.45 O ATOM 0 H ASP A 58 -3.179 -11.337 -5.344 1.00 1.45 H new ATOM 0 HA ASP A 58 -1.220 -12.615 -7.140 1.00 31.23 H new ATOM 0 HB2 ASP A 58 -3.598 -12.381 -7.825 1.00 64.45 H new ATOM 0 HB3 ASP A 58 -3.498 -10.645 -7.605 1.00 64.45 H new ATOM 913 N ARG A 59 -0.792 -9.760 -5.790 1.00 23.35 N ATOM 914 CA ARG A 59 0.077 -8.577 -5.629 1.00 73.13 C ATOM 915 C ARG A 59 -0.252 -7.470 -6.643 1.00 15.51 C ATOM 916 O ARG A 59 0.602 -6.655 -6.998 1.00 14.23 O ATOM 917 CB ARG A 59 1.569 -8.966 -5.706 1.00 42.03 C ATOM 918 CG ARG A 59 2.079 -9.723 -4.475 1.00 21.21 C ATOM 919 CD ARG A 59 1.510 -11.138 -4.375 1.00 22.44 C ATOM 920 NE ARG A 59 1.871 -11.786 -3.113 1.00 1.31 N ATOM 921 CZ ARG A 59 3.012 -12.383 -2.884 1.00 42.41 C ATOM 922 NH1 ARG A 59 3.923 -12.450 -3.804 1.00 72.53 N ATOM 923 NH2 ARG A 59 3.233 -12.915 -1.726 1.00 3.42 N ATOM 0 H ARG A 59 -1.382 -9.945 -4.979 1.00 23.35 H new ATOM 0 HA ARG A 59 -0.122 -8.173 -4.636 1.00 73.13 H new ATOM 0 HB2 ARG A 59 1.728 -9.582 -6.591 1.00 42.03 H new ATOM 0 HB3 ARG A 59 2.164 -8.062 -5.836 1.00 42.03 H new ATOM 0 HG2 ARG A 59 3.167 -9.775 -4.511 1.00 21.21 H new ATOM 0 HG3 ARG A 59 1.816 -9.166 -3.576 1.00 21.21 H new ATOM 0 HD2 ARG A 59 0.424 -11.099 -4.465 1.00 22.44 H new ATOM 0 HD3 ARG A 59 1.878 -11.737 -5.208 1.00 22.44 H new ATOM 0 HE ARG A 59 1.184 -11.771 -2.359 1.00 1.31 H new ATOM 0 HH11 ARG A 59 3.754 -12.034 -4.720 1.00 72.53 H new ATOM 0 HH12 ARG A 59 4.808 -12.919 -3.612 1.00 72.53 H new ATOM 0 HH21 ARG A 59 2.520 -12.867 -0.998 1.00 3.42 H new ATOM 0 HH22 ARG A 59 4.121 -13.382 -1.540 1.00 3.42 H new ATOM 937 N LYS A 60 -1.511 -7.419 -7.074 1.00 1.23 N ATOM 938 CA LYS A 60 -1.963 -6.407 -8.037 1.00 2.03 C ATOM 939 C LYS A 60 -2.575 -5.174 -7.341 1.00 22.42 C ATOM 940 O LYS A 60 -2.646 -4.092 -7.929 1.00 23.21 O ATOM 941 CB LYS A 60 -2.959 -7.035 -9.032 1.00 52.30 C ATOM 942 CG LYS A 60 -4.146 -7.769 -8.388 1.00 14.40 C ATOM 943 CD LYS A 60 -5.435 -6.947 -8.409 1.00 50.51 C ATOM 944 CE LYS A 60 -5.860 -6.579 -9.829 1.00 62.32 C ATOM 945 NZ LYS A 60 -6.004 -7.775 -10.703 1.00 62.50 N ATOM 0 H LYS A 60 -2.240 -8.066 -6.773 1.00 1.23 H new ATOM 0 HA LYS A 60 -1.090 -6.054 -8.585 1.00 2.03 H new ATOM 0 HB2 LYS A 60 -3.346 -6.249 -9.680 1.00 52.30 H new ATOM 0 HB3 LYS A 60 -2.420 -7.736 -9.669 1.00 52.30 H new ATOM 0 HG2 LYS A 60 -4.312 -8.710 -8.912 1.00 14.40 H new ATOM 0 HG3 LYS A 60 -3.897 -8.018 -7.357 1.00 14.40 H new ATOM 0 HD2 LYS A 60 -6.233 -7.513 -7.928 1.00 50.51 H new ATOM 0 HD3 LYS A 60 -5.293 -6.037 -7.826 1.00 50.51 H new ATOM 0 HE2 LYS A 60 -6.807 -6.041 -9.794 1.00 62.32 H new ATOM 0 HE3 LYS A 60 -5.124 -5.902 -10.262 1.00 62.32 H new ATOM 0 HZ1 LYS A 60 -6.438 -7.495 -11.606 1.00 62.50 H new ATOM 0 HZ2 LYS A 60 -5.067 -8.189 -10.883 1.00 62.50 H new ATOM 0 HZ3 LYS A 60 -6.608 -8.478 -10.232 1.00 62.50 H new ATOM 959 N GLN A 61 -3.012 -5.345 -6.090 1.00 42.31 N ATOM 960 CA GLN A 61 -3.557 -4.237 -5.282 1.00 73.52 C ATOM 961 C GLN A 61 -3.188 -4.381 -3.792 1.00 64.13 C ATOM 962 O GLN A 61 -3.036 -5.495 -3.283 1.00 51.03 O ATOM 963 CB GLN A 61 -5.086 -4.159 -5.421 1.00 11.50 C ATOM 964 CG GLN A 61 -5.568 -3.720 -6.799 1.00 74.03 C ATOM 965 CD GLN A 61 -7.081 -3.744 -6.926 1.00 71.33 C ATOM 966 OE1 GLN A 61 -7.758 -4.543 -6.290 1.00 43.32 O ATOM 967 NE2 GLN A 61 -7.623 -2.882 -7.761 1.00 13.13 N ATOM 0 H GLN A 61 -3.001 -6.244 -5.608 1.00 42.31 H new ATOM 0 HA GLN A 61 -3.110 -3.318 -5.662 1.00 73.52 H new ATOM 0 HB2 GLN A 61 -5.510 -5.137 -5.195 1.00 11.50 H new ATOM 0 HB3 GLN A 61 -5.472 -3.464 -4.675 1.00 11.50 H new ATOM 0 HG2 GLN A 61 -5.206 -2.712 -7.002 1.00 74.03 H new ATOM 0 HG3 GLN A 61 -5.134 -4.373 -7.556 1.00 74.03 H new ATOM 0 HE21 GLN A 61 -7.032 -2.230 -8.276 1.00 13.13 H new ATOM 0 HE22 GLN A 61 -8.634 -2.867 -7.893 1.00 13.13 H new ATOM 976 N VAL A 62 -3.057 -3.241 -3.106 1.00 3.15 N ATOM 977 CA VAL A 62 -2.742 -3.204 -1.668 1.00 10.12 C ATOM 978 C VAL A 62 -3.912 -2.602 -0.866 1.00 43.14 C ATOM 979 O VAL A 62 -4.687 -1.806 -1.393 1.00 44.13 O ATOM 980 CB VAL A 62 -1.469 -2.350 -1.397 1.00 13.15 C ATOM 981 CG1 VAL A 62 -1.077 -2.375 0.081 1.00 11.41 C ATOM 982 CG2 VAL A 62 -0.309 -2.812 -2.270 1.00 43.12 C ATOM 0 H VAL A 62 -3.165 -2.318 -3.527 1.00 3.15 H new ATOM 0 HA VAL A 62 -2.567 -4.232 -1.351 1.00 10.12 H new ATOM 0 HB VAL A 62 -1.707 -1.319 -1.658 1.00 13.15 H new ATOM 0 HG11 VAL A 62 -0.184 -1.768 0.231 1.00 11.41 H new ATOM 0 HG12 VAL A 62 -1.894 -1.974 0.681 1.00 11.41 H new ATOM 0 HG13 VAL A 62 -0.873 -3.401 0.386 1.00 11.41 H new ATOM 0 HG21 VAL A 62 0.569 -2.200 -2.062 1.00 43.12 H new ATOM 0 HG22 VAL A 62 -0.083 -3.856 -2.053 1.00 43.12 H new ATOM 0 HG23 VAL A 62 -0.581 -2.711 -3.321 1.00 43.12 H new ATOM 992 N PHE A 63 -4.042 -2.987 0.402 1.00 13.24 N ATOM 993 CA PHE A 63 -5.043 -2.400 1.307 1.00 22.24 C ATOM 994 C PHE A 63 -4.377 -1.912 2.605 1.00 2.11 C ATOM 995 O PHE A 63 -3.290 -2.361 2.965 1.00 24.21 O ATOM 996 CB PHE A 63 -6.156 -3.411 1.618 1.00 35.01 C ATOM 997 CG PHE A 63 -7.090 -3.671 0.462 1.00 21.22 C ATOM 998 CD1 PHE A 63 -6.793 -4.632 -0.495 1.00 41.11 C ATOM 999 CD2 PHE A 63 -8.270 -2.950 0.335 1.00 13.44 C ATOM 1000 CE1 PHE A 63 -7.653 -4.867 -1.551 1.00 53.32 C ATOM 1001 CE2 PHE A 63 -9.134 -3.183 -0.719 1.00 2.24 C ATOM 1002 CZ PHE A 63 -8.825 -4.143 -1.662 1.00 21.02 C ATOM 0 H PHE A 63 -3.464 -3.708 0.834 1.00 13.24 H new ATOM 0 HA PHE A 63 -5.493 -1.542 0.807 1.00 22.24 H new ATOM 0 HB2 PHE A 63 -5.702 -4.353 1.924 1.00 35.01 H new ATOM 0 HB3 PHE A 63 -6.736 -3.047 2.466 1.00 35.01 H new ATOM 0 HD1 PHE A 63 -5.880 -5.202 -0.413 1.00 41.11 H new ATOM 0 HD2 PHE A 63 -8.516 -2.197 1.069 1.00 13.44 H new ATOM 0 HE1 PHE A 63 -7.409 -5.616 -2.289 1.00 53.32 H new ATOM 0 HE2 PHE A 63 -10.049 -2.615 -0.804 1.00 2.24 H new ATOM 0 HZ PHE A 63 -9.499 -4.328 -2.486 1.00 21.02 H new ATOM 1012 N ARG A 64 -5.037 -0.997 3.313 1.00 24.14 N ATOM 1013 CA ARG A 64 -4.433 -0.332 4.479 1.00 64.34 C ATOM 1014 C ARG A 64 -5.005 -0.850 5.815 1.00 33.53 C ATOM 1015 O ARG A 64 -6.141 -1.311 5.887 1.00 21.11 O ATOM 1016 CB ARG A 64 -4.653 1.185 4.364 1.00 5.31 C ATOM 1017 CG ARG A 64 -4.071 1.999 5.519 1.00 32.21 C ATOM 1018 CD ARG A 64 -4.365 3.487 5.367 1.00 13.34 C ATOM 1019 NE ARG A 64 -3.927 4.252 6.535 1.00 40.44 N ATOM 1020 CZ ARG A 64 -4.721 4.990 7.265 1.00 34.25 C ATOM 1021 NH1 ARG A 64 -5.972 5.117 6.952 1.00 33.40 N ATOM 1022 NH2 ARG A 64 -4.261 5.610 8.301 1.00 15.24 N ATOM 0 H ARG A 64 -5.989 -0.696 3.104 1.00 24.14 H new ATOM 0 HA ARG A 64 -3.368 -0.562 4.480 1.00 64.34 H new ATOM 0 HB2 ARG A 64 -4.210 1.534 3.431 1.00 5.31 H new ATOM 0 HB3 ARG A 64 -5.724 1.380 4.302 1.00 5.31 H new ATOM 0 HG2 ARG A 64 -4.486 1.641 6.461 1.00 32.21 H new ATOM 0 HG3 ARG A 64 -2.993 1.844 5.566 1.00 32.21 H new ATOM 0 HD2 ARG A 64 -3.865 3.867 4.476 1.00 13.34 H new ATOM 0 HD3 ARG A 64 -5.435 3.632 5.218 1.00 13.34 H new ATOM 0 HE ARG A 64 -2.942 4.206 6.795 1.00 40.44 H new ATOM 0 HH11 ARG A 64 -6.343 4.639 6.131 1.00 33.40 H new ATOM 0 HH12 ARG A 64 -6.585 5.695 7.527 1.00 33.40 H new ATOM 0 HH21 ARG A 64 -3.276 5.524 8.551 1.00 15.24 H new ATOM 0 HH22 ARG A 64 -4.883 6.185 8.869 1.00 15.24 H new ATOM 1036 N ILE A 65 -4.193 -0.777 6.872 1.00 32.31 N ATOM 1037 CA ILE A 65 -4.642 -1.092 8.238 1.00 73.32 C ATOM 1038 C ILE A 65 -4.332 0.077 9.189 1.00 32.40 C ATOM 1039 O ILE A 65 -3.226 0.619 9.171 1.00 74.13 O ATOM 1040 CB ILE A 65 -3.951 -2.364 8.798 1.00 12.51 C ATOM 1041 CG1 ILE A 65 -4.162 -3.569 7.868 1.00 61.32 C ATOM 1042 CG2 ILE A 65 -4.465 -2.686 10.203 1.00 63.34 C ATOM 1043 CD1 ILE A 65 -3.471 -4.831 8.345 1.00 52.13 C ATOM 0 H ILE A 65 -3.213 -0.501 6.811 1.00 32.31 H new ATOM 0 HA ILE A 65 -5.716 -1.266 8.180 1.00 73.32 H new ATOM 0 HB ILE A 65 -2.882 -2.160 8.854 1.00 12.51 H new ATOM 0 HG12 ILE A 65 -5.231 -3.763 7.775 1.00 61.32 H new ATOM 0 HG13 ILE A 65 -3.795 -3.318 6.873 1.00 61.32 H new ATOM 0 HG21 ILE A 65 -3.967 -3.581 10.576 1.00 63.34 H new ATOM 0 HG22 ILE A 65 -4.253 -1.849 10.868 1.00 63.34 H new ATOM 0 HG23 ILE A 65 -5.541 -2.858 10.166 1.00 63.34 H new ATOM 0 HD11 ILE A 65 -3.663 -5.640 7.640 1.00 52.13 H new ATOM 0 HD12 ILE A 65 -2.397 -4.655 8.411 1.00 52.13 H new ATOM 0 HD13 ILE A 65 -3.855 -5.107 9.327 1.00 52.13 H new ATOM 1055 N GLU A 66 -5.304 0.466 10.013 1.00 33.14 N ATOM 1056 CA GLU A 66 -5.081 1.502 11.032 1.00 71.21 C ATOM 1057 C GLU A 66 -5.830 1.165 12.326 1.00 34.15 C ATOM 1058 O GLU A 66 -6.916 0.589 12.283 1.00 42.44 O ATOM 1059 CB GLU A 66 -5.522 2.885 10.520 1.00 43.11 C ATOM 1060 CG GLU A 66 -7.026 3.018 10.285 1.00 61.44 C ATOM 1061 CD GLU A 66 -7.459 4.455 10.045 1.00 3.23 C ATOM 1062 OE1 GLU A 66 -7.475 5.247 11.015 1.00 30.10 O ATOM 1063 OE2 GLU A 66 -7.778 4.810 8.894 1.00 34.03 O ATOM 0 H GLU A 66 -6.250 0.085 9.999 1.00 33.14 H new ATOM 0 HA GLU A 66 -4.012 1.532 11.241 1.00 71.21 H new ATOM 0 HB2 GLU A 66 -5.210 3.642 11.239 1.00 43.11 H new ATOM 0 HB3 GLU A 66 -5.000 3.097 9.587 1.00 43.11 H new ATOM 0 HG2 GLU A 66 -7.310 2.409 9.427 1.00 61.44 H new ATOM 0 HG3 GLU A 66 -7.561 2.621 11.148 1.00 61.44 H new ATOM 1070 N ASP A 67 -5.238 1.506 13.469 1.00 20.23 N ATOM 1071 CA ASP A 67 -5.872 1.282 14.774 1.00 65.31 C ATOM 1072 C ASP A 67 -6.219 -0.213 14.976 1.00 44.54 C ATOM 1073 O ASP A 67 -7.214 -0.560 15.614 1.00 3.42 O ATOM 1074 CB ASP A 67 -7.127 2.170 14.889 1.00 65.44 C ATOM 1075 CG ASP A 67 -7.751 2.147 16.273 1.00 1.25 C ATOM 1076 OD1 ASP A 67 -7.009 2.302 17.266 1.00 21.21 O ATOM 1077 OD2 ASP A 67 -8.984 1.966 16.377 1.00 13.01 O ATOM 0 H ASP A 67 -4.317 1.940 13.521 1.00 20.23 H new ATOM 0 HA ASP A 67 -5.172 1.556 15.563 1.00 65.31 H new ATOM 0 HB2 ASP A 67 -6.863 3.196 14.634 1.00 65.44 H new ATOM 0 HB3 ASP A 67 -7.866 1.840 14.159 1.00 65.44 H new ATOM 1082 N SER A 68 -5.368 -1.091 14.430 1.00 74.32 N ATOM 1083 CA SER A 68 -5.567 -2.554 14.508 1.00 51.14 C ATOM 1084 C SER A 68 -6.783 -3.016 13.689 1.00 13.43 C ATOM 1085 O SER A 68 -7.213 -4.169 13.793 1.00 41.54 O ATOM 1086 CB SER A 68 -5.717 -3.013 15.968 1.00 12.01 C ATOM 1087 OG SER A 68 -4.611 -2.600 16.758 1.00 53.14 O ATOM 0 H SER A 68 -4.526 -0.816 13.924 1.00 74.32 H new ATOM 0 HA SER A 68 -4.677 -3.015 14.079 1.00 51.14 H new ATOM 0 HB2 SER A 68 -6.637 -2.605 16.386 1.00 12.01 H new ATOM 0 HB3 SER A 68 -5.805 -4.099 16.002 1.00 12.01 H new ATOM 0 HG SER A 68 -4.736 -2.905 17.681 1.00 53.14 H new ATOM 1093 N ILE A 69 -7.326 -2.114 12.869 1.00 44.14 N ATOM 1094 CA ILE A 69 -8.506 -2.404 12.043 1.00 72.01 C ATOM 1095 C ILE A 69 -8.126 -2.565 10.556 1.00 34.43 C ATOM 1096 O ILE A 69 -7.587 -1.641 9.940 1.00 23.43 O ATOM 1097 CB ILE A 69 -9.569 -1.277 12.172 1.00 22.31 C ATOM 1098 CG1 ILE A 69 -9.971 -1.078 13.644 1.00 43.35 C ATOM 1099 CG2 ILE A 69 -10.797 -1.581 11.313 1.00 54.43 C ATOM 1100 CD1 ILE A 69 -10.534 -2.320 14.305 1.00 23.42 C ATOM 0 H ILE A 69 -6.965 -1.167 12.757 1.00 44.14 H new ATOM 0 HA ILE A 69 -8.925 -3.342 12.408 1.00 72.01 H new ATOM 0 HB ILE A 69 -9.125 -0.350 11.808 1.00 22.31 H new ATOM 0 HG12 ILE A 69 -9.099 -0.744 14.206 1.00 43.35 H new ATOM 0 HG13 ILE A 69 -10.712 -0.281 13.703 1.00 43.35 H new ATOM 0 HG21 ILE A 69 -11.525 -0.777 11.422 1.00 54.43 H new ATOM 0 HG22 ILE A 69 -10.499 -1.662 10.268 1.00 54.43 H new ATOM 0 HG23 ILE A 69 -11.244 -2.521 11.637 1.00 54.43 H new ATOM 0 HD11 ILE A 69 -10.792 -2.096 15.340 1.00 23.42 H new ATOM 0 HD12 ILE A 69 -11.427 -2.644 13.770 1.00 23.42 H new ATOM 0 HD13 ILE A 69 -9.788 -3.115 14.281 1.00 23.42 H new ATOM 1112 N PRO A 70 -8.386 -3.753 9.966 1.00 21.34 N ATOM 1113 CA PRO A 70 -8.123 -4.005 8.540 1.00 22.43 C ATOM 1114 C PRO A 70 -9.091 -3.241 7.615 1.00 10.33 C ATOM 1115 O PRO A 70 -10.261 -3.609 7.477 1.00 22.53 O ATOM 1116 CB PRO A 70 -8.319 -5.530 8.394 1.00 11.41 C ATOM 1117 CG PRO A 70 -8.391 -6.061 9.790 1.00 5.04 C ATOM 1118 CD PRO A 70 -8.937 -4.942 10.631 1.00 2.43 C ATOM 0 HA PRO A 70 -7.130 -3.664 8.248 1.00 22.43 H new ATOM 0 HB2 PRO A 70 -9.230 -5.757 7.841 1.00 11.41 H new ATOM 0 HB3 PRO A 70 -7.492 -5.981 7.845 1.00 11.41 H new ATOM 0 HG2 PRO A 70 -9.036 -6.938 9.841 1.00 5.04 H new ATOM 0 HG3 PRO A 70 -7.406 -6.369 10.142 1.00 5.04 H new ATOM 0 HD2 PRO A 70 -10.027 -4.935 10.640 1.00 2.43 H new ATOM 0 HD3 PRO A 70 -8.610 -5.016 11.668 1.00 2.43 H new ATOM 1126 N VAL A 71 -8.602 -2.173 6.987 1.00 4.55 N ATOM 1127 CA VAL A 71 -9.439 -1.356 6.105 1.00 52.22 C ATOM 1128 C VAL A 71 -9.594 -2.011 4.718 1.00 63.41 C ATOM 1129 O VAL A 71 -8.782 -1.797 3.816 1.00 14.14 O ATOM 1130 CB VAL A 71 -8.873 0.082 5.952 1.00 14.40 C ATOM 1131 CG1 VAL A 71 -9.811 0.956 5.121 1.00 31.22 C ATOM 1132 CG2 VAL A 71 -8.615 0.709 7.324 1.00 61.44 C ATOM 0 H VAL A 71 -7.637 -1.853 7.070 1.00 4.55 H new ATOM 0 HA VAL A 71 -10.422 -1.289 6.571 1.00 52.22 H new ATOM 0 HB VAL A 71 -7.922 0.017 5.423 1.00 14.40 H new ATOM 0 HG11 VAL A 71 -9.390 1.957 5.030 1.00 31.22 H new ATOM 0 HG12 VAL A 71 -9.930 0.521 4.129 1.00 31.22 H new ATOM 0 HG13 VAL A 71 -10.783 1.014 5.611 1.00 31.22 H new ATOM 0 HG21 VAL A 71 -8.219 1.716 7.195 1.00 61.44 H new ATOM 0 HG22 VAL A 71 -9.549 0.755 7.884 1.00 61.44 H new ATOM 0 HG23 VAL A 71 -7.893 0.103 7.871 1.00 61.44 H new ATOM 1142 N LEU A 72 -10.639 -2.828 4.570 1.00 32.04 N ATOM 1143 CA LEU A 72 -10.948 -3.495 3.296 1.00 71.45 C ATOM 1144 C LEU A 72 -11.672 -2.552 2.314 1.00 61.42 C ATOM 1145 O LEU A 72 -12.154 -2.986 1.266 1.00 74.53 O ATOM 1146 CB LEU A 72 -11.818 -4.736 3.554 1.00 13.30 C ATOM 1147 CG LEU A 72 -11.204 -5.784 4.500 1.00 24.34 C ATOM 1148 CD1 LEU A 72 -12.182 -6.931 4.740 1.00 64.31 C ATOM 1149 CD2 LEU A 72 -9.879 -6.303 3.945 1.00 45.10 C ATOM 0 H LEU A 72 -11.293 -3.047 5.322 1.00 32.04 H new ATOM 0 HA LEU A 72 -10.003 -3.790 2.841 1.00 71.45 H new ATOM 0 HB2 LEU A 72 -12.772 -4.411 3.969 1.00 13.30 H new ATOM 0 HB3 LEU A 72 -12.032 -5.214 2.598 1.00 13.30 H new ATOM 0 HG LEU A 72 -11.003 -5.305 5.458 1.00 24.34 H new ATOM 0 HD11 LEU A 72 -11.729 -7.661 5.411 1.00 64.31 H new ATOM 0 HD12 LEU A 72 -13.095 -6.542 5.190 1.00 64.31 H new ATOM 0 HD13 LEU A 72 -12.421 -7.410 3.791 1.00 64.31 H new ATOM 0 HD21 LEU A 72 -9.463 -7.042 4.629 1.00 45.10 H new ATOM 0 HD22 LEU A 72 -10.048 -6.764 2.972 1.00 45.10 H new ATOM 0 HD23 LEU A 72 -9.180 -5.474 3.838 1.00 45.10 H new ATOM 1161 N LEU A 73 -11.752 -1.265 2.660 1.00 5.34 N ATOM 1162 CA LEU A 73 -12.399 -0.270 1.799 1.00 52.35 C ATOM 1163 C LEU A 73 -11.571 -0.017 0.527 1.00 21.13 C ATOM 1164 O LEU A 73 -10.431 0.446 0.603 1.00 43.41 O ATOM 1165 CB LEU A 73 -12.595 1.050 2.562 1.00 5.33 C ATOM 1166 CG LEU A 73 -13.468 0.960 3.824 1.00 71.14 C ATOM 1167 CD1 LEU A 73 -13.538 2.312 4.531 1.00 13.14 C ATOM 1168 CD2 LEU A 73 -14.868 0.459 3.475 1.00 33.11 C ATOM 0 H LEU A 73 -11.377 -0.887 3.530 1.00 5.34 H new ATOM 0 HA LEU A 73 -13.372 -0.664 1.506 1.00 52.35 H new ATOM 0 HB2 LEU A 73 -11.615 1.435 2.845 1.00 5.33 H new ATOM 0 HB3 LEU A 73 -13.040 1.779 1.884 1.00 5.33 H new ATOM 0 HG LEU A 73 -13.009 0.244 4.506 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -14.161 2.225 5.421 1.00 13.14 H new ATOM 0 HD12 LEU A 73 -12.534 2.624 4.819 1.00 13.14 H new ATOM 0 HD13 LEU A 73 -13.969 3.053 3.858 1.00 13.14 H new ATOM 0 HD21 LEU A 73 -15.471 0.402 4.382 1.00 33.11 H new ATOM 0 HD22 LEU A 73 -15.336 1.147 2.771 1.00 33.11 H new ATOM 0 HD23 LEU A 73 -14.798 -0.530 3.023 1.00 33.11 H new ATOM 1180 N PRO A 74 -12.139 -0.299 -0.667 1.00 53.53 N ATOM 1181 CA PRO A 74 -11.419 -0.152 -1.944 1.00 30.21 C ATOM 1182 C PRO A 74 -10.900 1.276 -2.174 1.00 23.21 C ATOM 1183 O PRO A 74 -9.876 1.475 -2.818 1.00 41.11 O ATOM 1184 CB PRO A 74 -12.468 -0.534 -3.008 1.00 34.11 C ATOM 1185 CG PRO A 74 -13.784 -0.431 -2.312 1.00 31.34 C ATOM 1186 CD PRO A 74 -13.519 -0.773 -0.870 1.00 64.23 C ATOM 0 HA PRO A 74 -10.526 -0.777 -1.973 1.00 30.21 H new ATOM 0 HB2 PRO A 74 -12.422 0.137 -3.865 1.00 34.11 H new ATOM 0 HB3 PRO A 74 -12.299 -1.543 -3.384 1.00 34.11 H new ATOM 0 HG2 PRO A 74 -14.197 0.573 -2.405 1.00 31.34 H new ATOM 0 HG3 PRO A 74 -14.511 -1.116 -2.748 1.00 31.34 H new ATOM 0 HD2 PRO A 74 -14.220 -0.274 -0.201 1.00 64.23 H new ATOM 0 HD3 PRO A 74 -13.610 -1.843 -0.686 1.00 64.23 H new ATOM 1194 N GLU A 75 -11.612 2.262 -1.628 1.00 14.22 N ATOM 1195 CA GLU A 75 -11.212 3.673 -1.729 1.00 50.15 C ATOM 1196 C GLU A 75 -9.841 3.929 -1.071 1.00 35.25 C ATOM 1197 O GLU A 75 -9.078 4.796 -1.513 1.00 2.00 O ATOM 1198 CB GLU A 75 -12.285 4.554 -1.074 1.00 43.43 C ATOM 1199 CG GLU A 75 -12.525 4.232 0.398 1.00 24.55 C ATOM 1200 CD GLU A 75 -13.747 4.935 0.965 1.00 24.01 C ATOM 1201 OE1 GLU A 75 -14.864 4.389 0.836 1.00 22.32 O ATOM 1202 OE2 GLU A 75 -13.596 6.032 1.543 1.00 1.31 O ATOM 0 H GLU A 75 -12.476 2.111 -1.107 1.00 14.22 H new ATOM 0 HA GLU A 75 -11.118 3.925 -2.785 1.00 50.15 H new ATOM 0 HB2 GLU A 75 -11.990 5.599 -1.165 1.00 43.43 H new ATOM 0 HB3 GLU A 75 -13.221 4.438 -1.620 1.00 43.43 H new ATOM 0 HG2 GLU A 75 -12.645 3.155 0.514 1.00 24.55 H new ATOM 0 HG3 GLU A 75 -11.646 4.519 0.976 1.00 24.55 H new ATOM 1209 N GLU A 76 -9.533 3.161 -0.025 1.00 54.05 N ATOM 1210 CA GLU A 76 -8.284 3.320 0.733 1.00 42.50 C ATOM 1211 C GLU A 76 -7.168 2.421 0.163 1.00 62.21 C ATOM 1212 O GLU A 76 -6.026 2.452 0.626 1.00 0.52 O ATOM 1213 CB GLU A 76 -8.542 2.975 2.211 1.00 73.52 C ATOM 1214 CG GLU A 76 -7.412 3.357 3.167 1.00 1.24 C ATOM 1215 CD GLU A 76 -7.175 4.861 3.241 1.00 72.45 C ATOM 1216 OE1 GLU A 76 -8.144 5.603 3.506 1.00 64.54 O ATOM 1217 OE2 GLU A 76 -6.021 5.307 3.042 1.00 24.53 O ATOM 0 H GLU A 76 -10.136 2.415 0.322 1.00 54.05 H new ATOM 0 HA GLU A 76 -7.952 4.355 0.649 1.00 42.50 H new ATOM 0 HB2 GLU A 76 -9.455 3.476 2.532 1.00 73.52 H new ATOM 0 HB3 GLU A 76 -8.721 1.903 2.293 1.00 73.52 H new ATOM 0 HG2 GLU A 76 -7.645 2.982 4.164 1.00 1.24 H new ATOM 0 HG3 GLU A 76 -6.493 2.865 2.849 1.00 1.24 H new ATOM 1224 N ALA A 77 -7.512 1.622 -0.847 1.00 21.12 N ATOM 1225 CA ALA A 77 -6.562 0.696 -1.469 1.00 62.34 C ATOM 1226 C ALA A 77 -5.457 1.432 -2.245 1.00 30.14 C ATOM 1227 O ALA A 77 -5.649 2.550 -2.720 1.00 34.35 O ATOM 1228 CB ALA A 77 -7.297 -0.271 -2.391 1.00 44.25 C ATOM 0 H ALA A 77 -8.447 1.597 -1.255 1.00 21.12 H new ATOM 0 HA ALA A 77 -6.079 0.138 -0.667 1.00 62.34 H new ATOM 0 HB1 ALA A 77 -6.581 -0.954 -2.847 1.00 44.25 H new ATOM 0 HB2 ALA A 77 -8.025 -0.841 -1.814 1.00 44.25 H new ATOM 0 HB3 ALA A 77 -7.811 0.290 -3.171 1.00 44.25 H new ATOM 1234 N ILE A 78 -4.303 0.786 -2.378 1.00 3.30 N ATOM 1235 CA ILE A 78 -3.146 1.367 -3.072 1.00 10.45 C ATOM 1236 C ILE A 78 -2.771 0.549 -4.322 1.00 72.01 C ATOM 1237 O ILE A 78 -2.770 -0.684 -4.294 1.00 21.54 O ATOM 1238 CB ILE A 78 -1.918 1.437 -2.125 1.00 22.02 C ATOM 1239 CG1 ILE A 78 -2.265 2.228 -0.848 1.00 0.45 C ATOM 1240 CG2 ILE A 78 -0.717 2.058 -2.839 1.00 73.42 C ATOM 1241 CD1 ILE A 78 -1.166 2.237 0.199 1.00 51.43 C ATOM 0 H ILE A 78 -4.138 -0.151 -2.011 1.00 3.30 H new ATOM 0 HA ILE A 78 -3.428 2.373 -3.381 1.00 10.45 H new ATOM 0 HB ILE A 78 -1.650 0.421 -1.836 1.00 22.02 H new ATOM 0 HG12 ILE A 78 -2.497 3.257 -1.124 1.00 0.45 H new ATOM 0 HG13 ILE A 78 -3.168 1.805 -0.407 1.00 0.45 H new ATOM 0 HG21 ILE A 78 0.132 2.097 -2.156 1.00 73.42 H new ATOM 0 HG22 ILE A 78 -0.457 1.453 -3.707 1.00 73.42 H new ATOM 0 HG23 ILE A 78 -0.969 3.068 -3.163 1.00 73.42 H new ATOM 0 HD11 ILE A 78 -1.492 2.815 1.064 1.00 51.43 H new ATOM 0 HD12 ILE A 78 -0.948 1.214 0.507 1.00 51.43 H new ATOM 0 HD13 ILE A 78 -0.267 2.688 -0.221 1.00 51.43 H new ATOM 1253 N ALA A 79 -2.444 1.237 -5.416 1.00 20.21 N ATOM 1254 CA ALA A 79 -2.060 0.569 -6.666 1.00 31.03 C ATOM 1255 C ALA A 79 -0.553 0.253 -6.703 1.00 70.35 C ATOM 1256 O ALA A 79 0.280 1.157 -6.750 1.00 21.20 O ATOM 1257 CB ALA A 79 -2.453 1.431 -7.860 1.00 2.33 C ATOM 0 H ALA A 79 -2.436 2.256 -5.465 1.00 20.21 H new ATOM 0 HA ALA A 79 -2.594 -0.380 -6.717 1.00 31.03 H new ATOM 0 HB1 ALA A 79 -2.164 0.928 -8.783 1.00 2.33 H new ATOM 0 HB2 ALA A 79 -3.531 1.589 -7.855 1.00 2.33 H new ATOM 0 HB3 ALA A 79 -1.945 2.393 -7.797 1.00 2.33 H new ATOM 1263 N THR A 80 -0.215 -1.040 -6.705 1.00 12.14 N ATOM 1264 CA THR A 80 1.194 -1.488 -6.696 1.00 60.40 C ATOM 1265 C THR A 80 2.001 -0.906 -7.862 1.00 35.32 C ATOM 1266 O THR A 80 3.162 -0.525 -7.699 1.00 34.14 O ATOM 1267 CB THR A 80 1.301 -3.033 -6.758 1.00 12.42 C ATOM 1268 OG1 THR A 80 0.638 -3.525 -7.933 1.00 22.43 O ATOM 1269 CG2 THR A 80 0.690 -3.677 -5.519 1.00 14.33 C ATOM 0 H THR A 80 -0.894 -1.801 -6.713 1.00 12.14 H new ATOM 0 HA THR A 80 1.610 -1.122 -5.757 1.00 60.40 H new ATOM 0 HB THR A 80 2.358 -3.296 -6.797 1.00 12.42 H new ATOM 0 HG1 THR A 80 0.520 -4.495 -7.860 1.00 22.43 H new ATOM 0 HG21 THR A 80 0.780 -4.761 -5.591 1.00 14.33 H new ATOM 0 HG22 THR A 80 1.216 -3.327 -4.630 1.00 14.33 H new ATOM 0 HG23 THR A 80 -0.363 -3.404 -5.449 1.00 14.33 H new ATOM 1277 N ILE A 81 1.379 -0.834 -9.035 1.00 52.34 N ATOM 1278 CA ILE A 81 2.039 -0.326 -10.245 1.00 33.32 C ATOM 1279 C ILE A 81 2.503 1.141 -10.094 1.00 70.12 C ATOM 1280 O ILE A 81 3.373 1.608 -10.831 1.00 53.30 O ATOM 1281 CB ILE A 81 1.100 -0.454 -11.476 1.00 13.21 C ATOM 1282 CG1 ILE A 81 1.849 -0.096 -12.771 1.00 4.45 C ATOM 1283 CG2 ILE A 81 -0.139 0.424 -11.301 1.00 21.22 C ATOM 1284 CD1 ILE A 81 1.048 -0.356 -14.030 1.00 73.34 C ATOM 0 H ILE A 81 0.411 -1.122 -9.179 1.00 52.34 H new ATOM 0 HA ILE A 81 2.927 -0.940 -10.397 1.00 33.32 H new ATOM 0 HB ILE A 81 0.773 -1.491 -11.552 1.00 13.21 H new ATOM 0 HG12 ILE A 81 2.128 0.957 -12.740 1.00 4.45 H new ATOM 0 HG13 ILE A 81 2.775 -0.670 -12.815 1.00 4.45 H new ATOM 0 HG21 ILE A 81 -0.784 0.321 -12.173 1.00 21.22 H new ATOM 0 HG22 ILE A 81 -0.682 0.113 -10.409 1.00 21.22 H new ATOM 0 HG23 ILE A 81 0.165 1.465 -11.196 1.00 21.22 H new ATOM 0 HD11 ILE A 81 1.641 -0.080 -14.902 1.00 73.34 H new ATOM 0 HD12 ILE A 81 0.791 -1.414 -14.086 1.00 73.34 H new ATOM 0 HD13 ILE A 81 0.134 0.238 -14.009 1.00 73.34 H new ATOM 1296 N GLN A 82 1.923 1.866 -9.133 1.00 60.04 N ATOM 1297 CA GLN A 82 2.301 3.266 -8.876 1.00 33.34 C ATOM 1298 C GLN A 82 3.519 3.357 -7.940 1.00 3.53 C ATOM 1299 O GLN A 82 4.166 4.401 -7.836 1.00 75.11 O ATOM 1300 CB GLN A 82 1.113 4.027 -8.269 1.00 41.12 C ATOM 1301 CG GLN A 82 -0.111 4.087 -9.177 1.00 72.21 C ATOM 1302 CD GLN A 82 0.141 4.867 -10.458 1.00 51.50 C ATOM 1303 OE1 GLN A 82 -0.082 6.070 -10.522 1.00 3.42 O ATOM 1304 NE2 GLN A 82 0.615 4.193 -11.485 1.00 32.31 N ATOM 0 H GLN A 82 1.190 1.511 -8.519 1.00 60.04 H new ATOM 0 HA GLN A 82 2.575 3.721 -9.828 1.00 33.34 H new ATOM 0 HB2 GLN A 82 0.833 3.553 -7.328 1.00 41.12 H new ATOM 0 HB3 GLN A 82 1.428 5.043 -8.032 1.00 41.12 H new ATOM 0 HG2 GLN A 82 -0.420 3.073 -9.430 1.00 72.21 H new ATOM 0 HG3 GLN A 82 -0.938 4.546 -8.635 1.00 72.21 H new ATOM 0 HE21 GLN A 82 0.790 3.192 -11.401 1.00 32.31 H new ATOM 0 HE22 GLN A 82 0.807 4.672 -12.365 1.00 32.31 H new ATOM 1313 N ILE A 83 3.830 2.254 -7.264 1.00 44.43 N ATOM 1314 CA ILE A 83 4.960 2.207 -6.332 1.00 53.43 C ATOM 1315 C ILE A 83 6.279 1.933 -7.077 1.00 52.23 C ATOM 1316 O ILE A 83 6.653 0.782 -7.304 1.00 71.51 O ATOM 1317 CB ILE A 83 4.743 1.124 -5.240 1.00 34.33 C ATOM 1318 CG1 ILE A 83 3.373 1.311 -4.561 1.00 44.52 C ATOM 1319 CG2 ILE A 83 5.869 1.157 -4.206 1.00 15.44 C ATOM 1320 CD1 ILE A 83 3.181 2.670 -3.916 1.00 4.11 C ATOM 0 H ILE A 83 3.315 1.377 -7.343 1.00 44.43 H new ATOM 0 HA ILE A 83 5.022 3.183 -5.850 1.00 53.43 H new ATOM 0 HB ILE A 83 4.758 0.146 -5.722 1.00 34.33 H new ATOM 0 HG12 ILE A 83 2.589 1.159 -5.302 1.00 44.52 H new ATOM 0 HG13 ILE A 83 3.248 0.539 -3.801 1.00 44.52 H new ATOM 0 HG21 ILE A 83 5.694 0.389 -3.452 1.00 15.44 H new ATOM 0 HG22 ILE A 83 6.822 0.969 -4.700 1.00 15.44 H new ATOM 0 HG23 ILE A 83 5.895 2.136 -3.727 1.00 15.44 H new ATOM 0 HD11 ILE A 83 2.192 2.720 -3.461 1.00 4.11 H new ATOM 0 HD12 ILE A 83 3.941 2.820 -3.149 1.00 4.11 H new ATOM 0 HD13 ILE A 83 3.272 3.448 -4.674 1.00 4.11 H new ATOM 1332 N ALA A 84 6.972 3.003 -7.466 1.00 13.42 N ATOM 1333 CA ALA A 84 8.246 2.889 -8.194 1.00 44.11 C ATOM 1334 C ALA A 84 9.310 2.123 -7.393 1.00 14.42 C ATOM 1335 O ALA A 84 10.209 1.498 -7.960 1.00 42.41 O ATOM 1336 CB ALA A 84 8.761 4.276 -8.563 1.00 41.35 C ATOM 0 H ALA A 84 6.676 3.963 -7.291 1.00 13.42 H new ATOM 0 HA ALA A 84 8.053 2.316 -9.101 1.00 44.11 H new ATOM 0 HB1 ALA A 84 9.704 4.183 -9.101 1.00 41.35 H new ATOM 0 HB2 ALA A 84 8.030 4.779 -9.196 1.00 41.35 H new ATOM 0 HB3 ALA A 84 8.918 4.859 -7.656 1.00 41.35 H new ATOM 1342 N ASN A 85 9.195 2.163 -6.069 1.00 50.22 N ATOM 1343 CA ASN A 85 10.169 1.515 -5.180 1.00 55.23 C ATOM 1344 C ASN A 85 9.822 0.039 -4.909 1.00 63.53 C ATOM 1345 O ASN A 85 10.494 -0.630 -4.126 1.00 44.05 O ATOM 1346 CB ASN A 85 10.259 2.288 -3.857 1.00 62.33 C ATOM 1347 CG ASN A 85 10.775 3.704 -4.045 1.00 45.03 C ATOM 1348 OD1 ASN A 85 11.565 3.981 -4.941 1.00 32.00 O ATOM 1349 ND2 ASN A 85 10.336 4.615 -3.202 1.00 14.12 N ATOM 0 H ASN A 85 8.436 2.638 -5.581 1.00 50.22 H new ATOM 0 HA ASN A 85 11.135 1.531 -5.684 1.00 55.23 H new ATOM 0 HB2 ASN A 85 9.274 2.322 -3.392 1.00 62.33 H new ATOM 0 HB3 ASN A 85 10.916 1.753 -3.171 1.00 62.33 H new ATOM 0 HD21 ASN A 85 10.653 5.581 -3.284 1.00 14.12 H new ATOM 0 HD22 ASN A 85 9.679 4.355 -2.466 1.00 14.12 H new ATOM 1356 N PHE A 86 8.769 -0.463 -5.550 1.00 10.32 N ATOM 1357 CA PHE A 86 8.378 -1.870 -5.417 1.00 51.41 C ATOM 1358 C PHE A 86 9.343 -2.787 -6.204 1.00 60.21 C ATOM 1359 O PHE A 86 9.529 -2.604 -7.409 1.00 2.23 O ATOM 1360 CB PHE A 86 6.940 -2.052 -5.923 1.00 42.13 C ATOM 1361 CG PHE A 86 6.199 -3.184 -5.263 1.00 32.02 C ATOM 1362 CD1 PHE A 86 5.643 -3.001 -4.008 1.00 53.23 C ATOM 1363 CD2 PHE A 86 6.060 -4.417 -5.882 1.00 64.21 C ATOM 1364 CE1 PHE A 86 4.957 -4.025 -3.381 1.00 54.05 C ATOM 1365 CE2 PHE A 86 5.374 -5.445 -5.261 1.00 64.45 C ATOM 1366 CZ PHE A 86 4.823 -5.249 -4.007 1.00 34.23 C ATOM 0 H PHE A 86 8.168 0.082 -6.168 1.00 10.32 H new ATOM 0 HA PHE A 86 8.430 -2.151 -4.365 1.00 51.41 H new ATOM 0 HB2 PHE A 86 6.388 -1.126 -5.760 1.00 42.13 H new ATOM 0 HB3 PHE A 86 6.963 -2.225 -6.999 1.00 42.13 H new ATOM 0 HD1 PHE A 86 5.746 -2.047 -3.513 1.00 53.23 H new ATOM 0 HD2 PHE A 86 6.492 -4.576 -6.859 1.00 64.21 H new ATOM 0 HE1 PHE A 86 4.527 -3.868 -2.403 1.00 54.05 H new ATOM 0 HE2 PHE A 86 5.269 -6.400 -5.754 1.00 64.45 H new ATOM 0 HZ PHE A 86 4.289 -6.051 -3.519 1.00 34.23 H new