USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 400 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 92 THR OG1 : rot -81:sc= 0.506 USER MOD Set 1.2: A 98 THR OG1 : rot 84:sc= 0.94 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00973 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 68 GLN : amide:sc= -0.0851 X(o=-0.085,f=0) USER MOD Single : A 69 MET CE :methyl 172:sc=-0.00991 (180deg=-0.153) USER MOD Single : A 72 THR OG1 : rot 63:sc= 1.16 USER MOD Single : A 74 GLN : amide:sc= 0.886 K(o=0.89,f=-0.046) USER MOD Single : A 75 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.039) USER MOD Single : A 79 ASN : amide:sc= 0.72 K(o=0.72,f=-0.015) USER MOD Single : A 81 HIS : no HD1:sc= -1.01 K(o=-1,f=-5.8!) USER MOD Single : A 84 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.5!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 30:sc= 0.0811 USER MOD Single : A 91 ASN : amide:sc= 1.36 K(o=1.4,f=-0.0066) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.014 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 302 N HIS A 63 11.212 1.591 -3.566 1.00 23.10 N ATOM 303 CA HIS A 63 11.923 0.978 -2.452 1.00 31.52 C ATOM 304 C HIS A 63 11.564 -0.513 -2.417 1.00 3.12 C ATOM 305 O HIS A 63 10.488 -0.883 -2.885 1.00 52.14 O ATOM 306 CB HIS A 63 11.492 1.661 -1.142 1.00 35.13 C ATOM 307 CG HIS A 63 12.009 3.070 -1.054 1.00 73.12 C ATOM 308 ND1 HIS A 63 13.243 3.435 -0.567 1.00 13.40 N ATOM 309 CD2 HIS A 63 11.396 4.193 -1.546 1.00 44.15 C ATOM 310 CE1 HIS A 63 13.391 4.747 -0.790 1.00 24.34 C ATOM 311 NE2 HIS A 63 12.306 5.248 -1.406 1.00 43.35 N ATOM 0 HA HIS A 63 13.000 1.093 -2.570 1.00 31.52 H new ATOM 0 HB2 HIS A 63 10.404 1.668 -1.076 1.00 35.13 H new ATOM 0 HB3 HIS A 63 11.860 1.085 -0.293 1.00 35.13 H new ATOM 0 HD2 HIS A 63 10.401 4.253 -1.962 1.00 44.15 H new ATOM 0 HE1 HIS A 63 14.262 5.323 -0.513 1.00 24.34 H new ATOM 0 HE2 HIS A 63 12.172 6.212 -1.712 1.00 43.35 H new ATOM 319 N PRO A 64 12.432 -1.385 -1.877 1.00 73.24 N ATOM 320 CA PRO A 64 12.151 -2.807 -1.806 1.00 11.21 C ATOM 321 C PRO A 64 11.090 -3.084 -0.741 1.00 21.14 C ATOM 322 O PRO A 64 11.094 -2.478 0.333 1.00 40.43 O ATOM 323 CB PRO A 64 13.488 -3.466 -1.451 1.00 74.43 C ATOM 324 CG PRO A 64 14.221 -2.386 -0.659 1.00 5.24 C ATOM 325 CD PRO A 64 13.730 -1.088 -1.297 1.00 74.40 C ATOM 0 HA PRO A 64 11.755 -3.199 -2.743 1.00 11.21 H new ATOM 0 HB2 PRO A 64 13.345 -4.370 -0.859 1.00 74.43 H new ATOM 0 HB3 PRO A 64 14.043 -3.754 -2.344 1.00 74.43 H new ATOM 0 HG2 PRO A 64 13.977 -2.430 0.402 1.00 5.24 H new ATOM 0 HG3 PRO A 64 15.303 -2.491 -0.742 1.00 5.24 H new ATOM 0 HD2 PRO A 64 13.651 -0.295 -0.554 1.00 74.40 H new ATOM 0 HD3 PRO A 64 14.427 -0.742 -2.060 1.00 74.40 H new ATOM 333 N VAL A 65 10.184 -4.008 -1.042 1.00 41.40 N ATOM 334 CA VAL A 65 9.106 -4.437 -0.154 1.00 43.45 C ATOM 335 C VAL A 65 9.031 -5.962 -0.176 1.00 62.10 C ATOM 336 O VAL A 65 9.573 -6.611 -1.080 1.00 4.33 O ATOM 337 CB VAL A 65 7.779 -3.738 -0.515 1.00 11.03 C ATOM 338 CG1 VAL A 65 7.907 -2.210 -0.485 1.00 64.12 C ATOM 339 CG2 VAL A 65 7.226 -4.123 -1.890 1.00 34.51 C ATOM 0 H VAL A 65 10.178 -4.495 -1.938 1.00 41.40 H new ATOM 0 HA VAL A 65 9.312 -4.135 0.873 1.00 43.45 H new ATOM 0 HB VAL A 65 7.086 -4.085 0.252 1.00 11.03 H new ATOM 0 HG11 VAL A 65 6.949 -1.759 -0.745 1.00 64.12 H new ATOM 0 HG12 VAL A 65 8.199 -1.889 0.515 1.00 64.12 H new ATOM 0 HG13 VAL A 65 8.664 -1.894 -1.203 1.00 64.12 H new ATOM 0 HG21 VAL A 65 6.292 -3.590 -2.069 1.00 34.51 H new ATOM 0 HG22 VAL A 65 7.949 -3.857 -2.661 1.00 34.51 H new ATOM 0 HG23 VAL A 65 7.042 -5.197 -1.921 1.00 34.51 H new ATOM 349 N THR A 66 8.314 -6.534 0.785 1.00 45.23 N ATOM 350 CA THR A 66 8.105 -7.962 0.946 1.00 4.31 C ATOM 351 C THR A 66 6.597 -8.226 0.971 1.00 33.41 C ATOM 352 O THR A 66 5.791 -7.308 1.163 1.00 3.30 O ATOM 353 CB THR A 66 8.858 -8.432 2.211 1.00 53.43 C ATOM 354 OG1 THR A 66 8.793 -7.466 3.246 1.00 4.51 O ATOM 355 CG2 THR A 66 10.335 -8.677 1.887 1.00 74.21 C ATOM 0 H THR A 66 7.842 -5.986 1.505 1.00 45.23 H new ATOM 0 HA THR A 66 8.510 -8.542 0.117 1.00 4.31 H new ATOM 0 HB THR A 66 8.378 -9.352 2.545 1.00 53.43 H new ATOM 0 HG1 THR A 66 9.278 -7.795 4.032 1.00 4.51 H new ATOM 0 HG21 THR A 66 10.855 -9.008 2.786 1.00 74.21 H new ATOM 0 HG22 THR A 66 10.416 -9.445 1.118 1.00 74.21 H new ATOM 0 HG23 THR A 66 10.786 -7.753 1.526 1.00 74.21 H new ATOM 363 N THR A 67 6.183 -9.476 0.777 1.00 14.23 N ATOM 364 CA THR A 67 4.788 -9.914 0.764 1.00 2.13 C ATOM 365 C THR A 67 4.083 -9.497 2.065 1.00 64.42 C ATOM 366 O THR A 67 2.971 -8.967 2.050 1.00 21.23 O ATOM 367 CB THR A 67 4.801 -11.444 0.605 1.00 32.21 C ATOM 368 OG1 THR A 67 5.828 -11.843 -0.292 1.00 65.45 O ATOM 369 CG2 THR A 67 3.454 -11.997 0.137 1.00 73.43 C ATOM 0 H THR A 67 6.836 -10.243 0.618 1.00 14.23 H new ATOM 0 HA THR A 67 4.238 -9.452 -0.056 1.00 2.13 H new ATOM 0 HB THR A 67 4.998 -11.861 1.593 1.00 32.21 H new ATOM 0 HG1 THR A 67 5.824 -12.819 -0.381 1.00 65.45 H new ATOM 0 HG21 THR A 67 3.519 -13.081 0.041 1.00 73.43 H new ATOM 0 HG22 THR A 67 2.684 -11.743 0.865 1.00 73.43 H new ATOM 0 HG23 THR A 67 3.198 -11.562 -0.829 1.00 73.43 H new ATOM 377 N GLN A 68 4.791 -9.669 3.186 1.00 61.05 N ATOM 378 CA GLN A 68 4.334 -9.344 4.528 1.00 52.54 C ATOM 379 C GLN A 68 3.910 -7.882 4.655 1.00 54.45 C ATOM 380 O GLN A 68 2.992 -7.608 5.416 1.00 43.52 O ATOM 381 CB GLN A 68 5.428 -9.703 5.545 1.00 73.40 C ATOM 382 CG GLN A 68 6.694 -8.849 5.356 1.00 15.22 C ATOM 383 CD GLN A 68 7.988 -9.565 5.720 1.00 42.04 C ATOM 384 OE1 GLN A 68 8.813 -9.051 6.464 1.00 32.24 O ATOM 385 NE2 GLN A 68 8.249 -10.716 5.117 1.00 55.31 N ATOM 0 H GLN A 68 5.735 -10.054 3.176 1.00 61.05 H new ATOM 0 HA GLN A 68 3.445 -9.938 4.739 1.00 52.54 H new ATOM 0 HB2 GLN A 68 5.044 -9.563 6.555 1.00 73.40 H new ATOM 0 HB3 GLN A 68 5.684 -10.758 5.445 1.00 73.40 H new ATOM 0 HG2 GLN A 68 6.750 -8.527 4.316 1.00 15.22 H new ATOM 0 HG3 GLN A 68 6.606 -7.949 5.964 1.00 15.22 H new ATOM 0 HE21 GLN A 68 7.555 -11.137 4.499 1.00 55.31 H new ATOM 0 HE22 GLN A 68 9.144 -11.181 5.271 1.00 55.31 H new ATOM 394 N MET A 69 4.539 -6.939 3.941 1.00 55.43 N ATOM 395 CA MET A 69 4.143 -5.541 4.029 1.00 32.55 C ATOM 396 C MET A 69 2.752 -5.360 3.397 1.00 65.01 C ATOM 397 O MET A 69 1.910 -4.633 3.935 1.00 21.24 O ATOM 398 CB MET A 69 5.206 -4.689 3.328 1.00 2.41 C ATOM 399 CG MET A 69 6.554 -4.707 4.057 1.00 31.42 C ATOM 400 SD MET A 69 7.901 -3.930 3.127 1.00 12.53 S ATOM 401 CE MET A 69 7.473 -2.171 3.254 1.00 11.15 C ATOM 0 H MET A 69 5.315 -7.123 3.305 1.00 55.43 H new ATOM 0 HA MET A 69 4.074 -5.220 5.068 1.00 32.55 H new ATOM 0 HB2 MET A 69 5.343 -5.053 2.310 1.00 2.41 H new ATOM 0 HB3 MET A 69 4.851 -3.661 3.254 1.00 2.41 H new ATOM 0 HG2 MET A 69 6.445 -4.197 5.014 1.00 31.42 H new ATOM 0 HG3 MET A 69 6.825 -5.740 4.275 1.00 31.42 H new ATOM 0 HE1 MET A 69 8.287 -1.568 2.851 1.00 11.15 H new ATOM 0 HE2 MET A 69 6.563 -1.976 2.687 1.00 11.15 H new ATOM 0 HE3 MET A 69 7.312 -1.910 4.300 1.00 11.15 H new ATOM 411 N VAL A 70 2.517 -6.028 2.257 1.00 55.11 N ATOM 412 CA VAL A 70 1.254 -5.975 1.525 1.00 34.24 C ATOM 413 C VAL A 70 0.130 -6.460 2.427 1.00 41.50 C ATOM 414 O VAL A 70 -0.838 -5.728 2.625 1.00 53.23 O ATOM 415 CB VAL A 70 1.294 -6.767 0.198 1.00 2.15 C ATOM 416 CG1 VAL A 70 0.052 -6.498 -0.658 1.00 10.42 C ATOM 417 CG2 VAL A 70 2.546 -6.459 -0.623 1.00 65.50 C ATOM 0 H VAL A 70 3.214 -6.628 1.816 1.00 55.11 H new ATOM 0 HA VAL A 70 1.073 -4.938 1.243 1.00 34.24 H new ATOM 0 HB VAL A 70 1.315 -7.820 0.479 1.00 2.15 H new ATOM 0 HG11 VAL A 70 0.116 -7.072 -1.582 1.00 10.42 H new ATOM 0 HG12 VAL A 70 -0.841 -6.795 -0.107 1.00 10.42 H new ATOM 0 HG13 VAL A 70 -0.004 -5.435 -0.894 1.00 10.42 H new ATOM 0 HG21 VAL A 70 2.528 -7.039 -1.545 1.00 65.50 H new ATOM 0 HG22 VAL A 70 2.571 -5.396 -0.863 1.00 65.50 H new ATOM 0 HG23 VAL A 70 3.433 -6.722 -0.046 1.00 65.50 H new ATOM 427 N GLU A 71 0.261 -7.664 2.987 1.00 34.24 N ATOM 428 CA GLU A 71 -0.779 -8.187 3.867 1.00 3.35 C ATOM 429 C GLU A 71 -0.976 -7.267 5.073 1.00 22.33 C ATOM 430 O GLU A 71 -2.119 -7.094 5.472 1.00 42.30 O ATOM 431 CB GLU A 71 -0.572 -9.643 4.294 1.00 5.02 C ATOM 432 CG GLU A 71 0.845 -9.973 4.719 1.00 61.24 C ATOM 433 CD GLU A 71 0.919 -11.111 5.730 1.00 44.13 C ATOM 434 OE1 GLU A 71 0.663 -10.856 6.932 1.00 43.11 O ATOM 435 OE2 GLU A 71 1.285 -12.240 5.347 1.00 62.23 O ATOM 0 H GLU A 71 1.060 -8.282 2.850 1.00 34.24 H new ATOM 0 HA GLU A 71 -1.695 -8.199 3.276 1.00 3.35 H new ATOM 0 HB2 GLU A 71 -1.248 -9.867 5.119 1.00 5.02 H new ATOM 0 HB3 GLU A 71 -0.852 -10.295 3.467 1.00 5.02 H new ATOM 0 HG2 GLU A 71 1.429 -10.240 3.838 1.00 61.24 H new ATOM 0 HG3 GLU A 71 1.305 -9.083 5.149 1.00 61.24 H new ATOM 442 N THR A 72 0.070 -6.656 5.647 1.00 70.22 N ATOM 443 CA THR A 72 -0.098 -5.741 6.785 1.00 23.42 C ATOM 444 C THR A 72 -1.098 -4.644 6.387 1.00 22.00 C ATOM 445 O THR A 72 -2.199 -4.602 6.947 1.00 34.42 O ATOM 446 CB THR A 72 1.227 -5.130 7.281 1.00 24.43 C ATOM 447 OG1 THR A 72 2.219 -6.076 7.597 1.00 52.42 O ATOM 448 CG2 THR A 72 0.986 -4.361 8.583 1.00 44.20 C ATOM 0 H THR A 72 1.036 -6.778 5.344 1.00 70.22 H new ATOM 0 HA THR A 72 -0.481 -6.318 7.627 1.00 23.42 H new ATOM 0 HB THR A 72 1.570 -4.508 6.454 1.00 24.43 H new ATOM 0 HG1 THR A 72 2.463 -6.576 6.790 1.00 52.42 H new ATOM 0 HG21 THR A 72 1.925 -3.931 8.930 1.00 44.20 H new ATOM 0 HG22 THR A 72 0.265 -3.563 8.406 1.00 44.20 H new ATOM 0 HG23 THR A 72 0.596 -5.041 9.340 1.00 44.20 H new ATOM 456 N VAL A 73 -0.754 -3.804 5.395 1.00 4.02 N ATOM 457 CA VAL A 73 -1.671 -2.752 4.951 1.00 63.42 C ATOM 458 C VAL A 73 -3.031 -3.349 4.597 1.00 42.42 C ATOM 459 O VAL A 73 -4.034 -2.792 5.020 1.00 40.11 O ATOM 460 CB VAL A 73 -1.144 -2.010 3.714 1.00 43.42 C ATOM 461 CG1 VAL A 73 -2.075 -0.895 3.207 1.00 42.05 C ATOM 462 CG2 VAL A 73 0.218 -1.378 3.945 1.00 44.03 C ATOM 0 H VAL A 73 0.136 -3.835 4.897 1.00 4.02 H new ATOM 0 HA VAL A 73 -1.759 -2.047 5.778 1.00 63.42 H new ATOM 0 HB VAL A 73 -1.082 -2.797 2.962 1.00 43.42 H new ATOM 0 HG11 VAL A 73 -1.631 -0.420 2.332 1.00 42.05 H new ATOM 0 HG12 VAL A 73 -3.041 -1.322 2.937 1.00 42.05 H new ATOM 0 HG13 VAL A 73 -2.213 -0.152 3.992 1.00 42.05 H new ATOM 0 HG21 VAL A 73 0.541 -0.867 3.038 1.00 44.03 H new ATOM 0 HG22 VAL A 73 0.152 -0.659 4.762 1.00 44.03 H new ATOM 0 HG23 VAL A 73 0.940 -2.153 4.201 1.00 44.03 H new ATOM 472 N GLN A 74 -3.086 -4.454 3.848 1.00 22.30 N ATOM 473 CA GLN A 74 -4.350 -5.071 3.447 1.00 74.14 C ATOM 474 C GLN A 74 -5.236 -5.403 4.642 1.00 0.03 C ATOM 475 O GLN A 74 -6.419 -5.078 4.624 1.00 4.13 O ATOM 476 CB GLN A 74 -4.123 -6.334 2.599 1.00 44.22 C ATOM 477 CG GLN A 74 -5.427 -6.857 1.974 1.00 13.02 C ATOM 478 CD GLN A 74 -5.876 -6.082 0.739 1.00 11.53 C ATOM 479 OE1 GLN A 74 -5.529 -6.471 -0.376 1.00 21.21 O ATOM 480 NE2 GLN A 74 -6.639 -5.008 0.879 1.00 12.21 N ATOM 0 H GLN A 74 -2.259 -4.943 3.505 1.00 22.30 H new ATOM 0 HA GLN A 74 -4.867 -4.330 2.838 1.00 74.14 H new ATOM 0 HB2 GLN A 74 -3.406 -6.114 1.808 1.00 44.22 H new ATOM 0 HB3 GLN A 74 -3.683 -7.113 3.221 1.00 44.22 H new ATOM 0 HG2 GLN A 74 -5.294 -7.905 1.705 1.00 13.02 H new ATOM 0 HG3 GLN A 74 -6.218 -6.818 2.723 1.00 13.02 H new ATOM 0 HE21 GLN A 74 -6.918 -4.698 1.810 1.00 12.21 H new ATOM 0 HE22 GLN A 74 -6.947 -4.491 0.056 1.00 12.21 H new ATOM 489 N ASN A 75 -4.687 -6.052 5.666 1.00 31.12 N ATOM 490 CA ASN A 75 -5.429 -6.431 6.857 1.00 35.33 C ATOM 491 C ASN A 75 -6.028 -5.186 7.499 1.00 23.23 C ATOM 492 O ASN A 75 -7.189 -5.209 7.918 1.00 44.23 O ATOM 493 CB ASN A 75 -4.518 -7.133 7.875 1.00 10.13 C ATOM 494 CG ASN A 75 -4.116 -8.550 7.494 1.00 61.35 C ATOM 495 OD1 ASN A 75 -4.951 -9.382 7.158 1.00 12.12 O ATOM 496 ND2 ASN A 75 -2.836 -8.879 7.545 1.00 71.31 N ATOM 0 H ASN A 75 -3.706 -6.330 5.689 1.00 31.12 H new ATOM 0 HA ASN A 75 -6.219 -7.122 6.562 1.00 35.33 H new ATOM 0 HB2 ASN A 75 -3.615 -6.536 8.007 1.00 10.13 H new ATOM 0 HB3 ASN A 75 -5.026 -7.160 8.839 1.00 10.13 H new ATOM 0 HD21 ASN A 75 -2.543 -9.826 7.305 1.00 71.31 H new ATOM 0 HD22 ASN A 75 -2.142 -8.186 7.825 1.00 71.31 H new ATOM 503 N LEU A 76 -5.246 -4.101 7.585 1.00 42.13 N ATOM 504 CA LEU A 76 -5.702 -2.847 8.190 1.00 11.20 C ATOM 505 C LEU A 76 -6.561 -1.997 7.232 1.00 62.20 C ATOM 506 O LEU A 76 -7.318 -1.145 7.687 1.00 23.35 O ATOM 507 CB LEU A 76 -4.513 -2.065 8.777 1.00 2.13 C ATOM 508 CG LEU A 76 -3.551 -2.890 9.662 1.00 21.11 C ATOM 509 CD1 LEU A 76 -2.548 -1.958 10.342 1.00 54.12 C ATOM 510 CD2 LEU A 76 -4.226 -3.773 10.721 1.00 41.24 C ATOM 0 H LEU A 76 -4.287 -4.070 7.239 1.00 42.13 H new ATOM 0 HA LEU A 76 -6.367 -3.104 9.015 1.00 11.20 H new ATOM 0 HB2 LEU A 76 -3.943 -1.632 7.955 1.00 2.13 H new ATOM 0 HB3 LEU A 76 -4.901 -1.235 9.367 1.00 2.13 H new ATOM 0 HG LEU A 76 -3.057 -3.581 8.979 1.00 21.11 H new ATOM 0 HD11 LEU A 76 -1.872 -2.543 10.965 1.00 54.12 H new ATOM 0 HD12 LEU A 76 -1.974 -1.426 9.584 1.00 54.12 H new ATOM 0 HD13 LEU A 76 -3.082 -1.239 10.963 1.00 54.12 H new ATOM 0 HD21 LEU A 76 -3.464 -4.309 11.287 1.00 41.24 H new ATOM 0 HD22 LEU A 76 -4.809 -3.148 11.398 1.00 41.24 H new ATOM 0 HD23 LEU A 76 -4.885 -4.490 10.231 1.00 41.24 H new ATOM 522 N ALA A 77 -6.498 -2.243 5.920 1.00 15.41 N ATOM 523 CA ALA A 77 -7.236 -1.571 4.855 1.00 42.22 C ATOM 524 C ALA A 77 -7.901 -2.606 3.940 1.00 42.22 C ATOM 525 O ALA A 77 -7.438 -2.824 2.812 1.00 21.13 O ATOM 526 CB ALA A 77 -6.341 -0.643 4.023 1.00 51.45 C ATOM 0 H ALA A 77 -5.885 -2.970 5.552 1.00 15.41 H new ATOM 0 HA ALA A 77 -7.998 -0.954 5.331 1.00 42.22 H new ATOM 0 HB1 ALA A 77 -6.936 -0.166 3.244 1.00 51.45 H new ATOM 0 HB2 ALA A 77 -5.910 0.122 4.669 1.00 51.45 H new ATOM 0 HB3 ALA A 77 -5.541 -1.224 3.564 1.00 51.45 H new ATOM 532 N PRO A 78 -9.011 -3.229 4.365 1.00 15.52 N ATOM 533 CA PRO A 78 -9.701 -4.215 3.539 1.00 41.10 C ATOM 534 C PRO A 78 -10.349 -3.568 2.303 1.00 4.35 C ATOM 535 O PRO A 78 -10.729 -4.262 1.364 1.00 31.14 O ATOM 536 CB PRO A 78 -10.747 -4.839 4.465 1.00 21.23 C ATOM 537 CG PRO A 78 -11.031 -3.742 5.488 1.00 30.45 C ATOM 538 CD PRO A 78 -9.671 -3.070 5.653 1.00 53.24 C ATOM 0 HA PRO A 78 -9.015 -4.962 3.140 1.00 41.10 H new ATOM 0 HB2 PRO A 78 -11.648 -5.119 3.919 1.00 21.23 H new ATOM 0 HB3 PRO A 78 -10.369 -5.743 4.943 1.00 21.23 H new ATOM 0 HG2 PRO A 78 -11.787 -3.042 5.131 1.00 30.45 H new ATOM 0 HG3 PRO A 78 -11.396 -4.152 6.430 1.00 30.45 H new ATOM 0 HD2 PRO A 78 -9.780 -2.017 5.913 1.00 53.24 H new ATOM 0 HD3 PRO A 78 -9.095 -3.537 6.452 1.00 53.24 H new ATOM 546 N ASN A 79 -10.470 -2.237 2.316 1.00 43.20 N ATOM 547 CA ASN A 79 -11.045 -1.393 1.279 1.00 65.34 C ATOM 548 C ASN A 79 -10.107 -1.193 0.085 1.00 62.34 C ATOM 549 O ASN A 79 -10.573 -0.839 -0.998 1.00 72.12 O ATOM 550 CB ASN A 79 -11.337 -0.025 1.930 1.00 53.14 C ATOM 551 CG ASN A 79 -12.456 0.762 1.263 1.00 11.24 C ATOM 552 OD1 ASN A 79 -13.412 1.153 1.929 1.00 61.21 O ATOM 553 ND2 ASN A 79 -12.394 1.000 -0.029 1.00 65.43 N ATOM 0 H ASN A 79 -10.144 -1.688 3.111 1.00 43.20 H new ATOM 0 HA ASN A 79 -11.943 -1.873 0.890 1.00 65.34 H new ATOM 0 HB2 ASN A 79 -11.594 -0.182 2.978 1.00 53.14 H new ATOM 0 HB3 ASN A 79 -10.427 0.574 1.912 1.00 53.14 H new ATOM 0 HD21 ASN A 79 -13.145 1.515 -0.489 1.00 65.43 H new ATOM 0 HD22 ASN A 79 -11.595 0.670 -0.571 1.00 65.43 H new ATOM 560 N LEU A 80 -8.795 -1.365 0.270 1.00 43.52 N ATOM 561 CA LEU A 80 -7.820 -1.151 -0.797 1.00 11.22 C ATOM 562 C LEU A 80 -7.615 -2.358 -1.699 1.00 21.21 C ATOM 563 O LEU A 80 -7.848 -3.505 -1.302 1.00 70.15 O ATOM 564 CB LEU A 80 -6.463 -0.738 -0.202 1.00 73.43 C ATOM 565 CG LEU A 80 -6.402 0.717 0.298 1.00 44.11 C ATOM 566 CD1 LEU A 80 -5.006 0.975 0.868 1.00 44.11 C ATOM 567 CD2 LEU A 80 -6.675 1.756 -0.798 1.00 51.13 C ATOM 0 H LEU A 80 -8.384 -1.654 1.157 1.00 43.52 H new ATOM 0 HA LEU A 80 -8.234 -0.356 -1.417 1.00 11.22 H new ATOM 0 HB2 LEU A 80 -6.226 -1.404 0.628 1.00 73.43 H new ATOM 0 HB3 LEU A 80 -5.690 -0.882 -0.957 1.00 73.43 H new ATOM 0 HG LEU A 80 -7.185 0.829 1.048 1.00 44.11 H new ATOM 0 HD11 LEU A 80 -4.944 2.002 1.228 1.00 44.11 H new ATOM 0 HD12 LEU A 80 -4.818 0.289 1.694 1.00 44.11 H new ATOM 0 HD13 LEU A 80 -4.260 0.818 0.089 1.00 44.11 H new ATOM 0 HD21 LEU A 80 -6.615 2.758 -0.373 1.00 51.13 H new ATOM 0 HD22 LEU A 80 -5.933 1.653 -1.590 1.00 51.13 H new ATOM 0 HD23 LEU A 80 -7.671 1.596 -1.211 1.00 51.13 H new ATOM 579 N HIS A 81 -7.150 -2.082 -2.919 1.00 31.41 N ATOM 580 CA HIS A 81 -6.853 -3.090 -3.924 1.00 73.41 C ATOM 581 C HIS A 81 -5.547 -3.777 -3.505 1.00 35.33 C ATOM 582 O HIS A 81 -4.655 -3.109 -2.971 1.00 51.43 O ATOM 583 CB HIS A 81 -6.694 -2.389 -5.270 1.00 43.41 C ATOM 584 CG HIS A 81 -6.574 -3.277 -6.464 1.00 45.52 C ATOM 585 ND1 HIS A 81 -5.385 -3.806 -6.961 1.00 15.53 N ATOM 586 CD2 HIS A 81 -7.618 -3.679 -7.238 1.00 10.45 C ATOM 587 CE1 HIS A 81 -5.756 -4.538 -8.027 1.00 70.13 C ATOM 588 NE2 HIS A 81 -7.084 -4.467 -8.223 1.00 65.31 N ATOM 0 H HIS A 81 -6.968 -1.130 -3.237 1.00 31.41 H new ATOM 0 HA HIS A 81 -7.645 -3.833 -4.011 1.00 73.41 H new ATOM 0 HB2 HIS A 81 -7.550 -1.731 -5.417 1.00 43.41 H new ATOM 0 HB3 HIS A 81 -5.809 -1.755 -5.224 1.00 43.41 H new ATOM 0 HD2 HIS A 81 -8.660 -3.427 -7.103 1.00 10.45 H new ATOM 0 HE1 HIS A 81 -5.077 -5.107 -8.644 1.00 70.13 H new ATOM 0 HE2 HIS A 81 -7.604 -4.921 -8.974 1.00 65.31 H new ATOM 596 N PRO A 82 -5.381 -5.080 -3.761 1.00 74.13 N ATOM 597 CA PRO A 82 -4.182 -5.806 -3.372 1.00 43.13 C ATOM 598 C PRO A 82 -2.918 -5.363 -4.108 1.00 61.22 C ATOM 599 O PRO A 82 -1.822 -5.495 -3.558 1.00 1.34 O ATOM 600 CB PRO A 82 -4.510 -7.278 -3.624 1.00 71.13 C ATOM 601 CG PRO A 82 -5.580 -7.244 -4.712 1.00 33.31 C ATOM 602 CD PRO A 82 -6.343 -5.960 -4.397 1.00 71.04 C ATOM 0 HA PRO A 82 -3.940 -5.607 -2.328 1.00 43.13 H new ATOM 0 HB2 PRO A 82 -3.629 -7.832 -3.949 1.00 71.13 H new ATOM 0 HB3 PRO A 82 -4.877 -7.764 -2.720 1.00 71.13 H new ATOM 0 HG2 PRO A 82 -5.142 -7.219 -5.710 1.00 33.31 H new ATOM 0 HG3 PRO A 82 -6.228 -8.120 -4.670 1.00 33.31 H new ATOM 0 HD2 PRO A 82 -6.745 -5.510 -5.305 1.00 71.04 H new ATOM 0 HD3 PRO A 82 -7.188 -6.158 -3.738 1.00 71.04 H new ATOM 610 N GLU A 83 -3.053 -4.829 -5.325 1.00 73.14 N ATOM 611 CA GLU A 83 -1.907 -4.391 -6.112 1.00 13.04 C ATOM 612 C GLU A 83 -1.538 -2.947 -5.739 1.00 72.42 C ATOM 613 O GLU A 83 -0.353 -2.634 -5.582 1.00 52.13 O ATOM 614 CB GLU A 83 -2.228 -4.571 -7.609 1.00 5.12 C ATOM 615 CG GLU A 83 -1.205 -5.366 -8.416 1.00 2.23 C ATOM 616 CD GLU A 83 -1.276 -6.868 -8.149 1.00 51.44 C ATOM 617 OE1 GLU A 83 -0.944 -7.293 -7.021 1.00 33.14 O ATOM 618 OE2 GLU A 83 -1.664 -7.626 -9.064 1.00 54.13 O ATOM 0 H GLU A 83 -3.953 -4.691 -5.785 1.00 73.14 H new ATOM 0 HA GLU A 83 -1.029 -4.999 -5.893 1.00 13.04 H new ATOM 0 HB2 GLU A 83 -3.196 -5.065 -7.697 1.00 5.12 H new ATOM 0 HB3 GLU A 83 -2.332 -3.584 -8.060 1.00 5.12 H new ATOM 0 HG2 GLU A 83 -1.366 -5.183 -9.478 1.00 2.23 H new ATOM 0 HG3 GLU A 83 -0.204 -5.007 -8.179 1.00 2.23 H new ATOM 625 N GLN A 84 -2.545 -2.092 -5.479 1.00 42.13 N ATOM 626 CA GLN A 84 -2.316 -0.691 -5.108 1.00 41.01 C ATOM 627 C GLN A 84 -1.473 -0.632 -3.844 1.00 14.03 C ATOM 628 O GLN A 84 -0.620 0.241 -3.710 1.00 21.12 O ATOM 629 CB GLN A 84 -3.623 0.067 -4.849 1.00 3.23 C ATOM 630 CG GLN A 84 -4.459 0.352 -6.106 1.00 41.03 C ATOM 631 CD GLN A 84 -5.732 1.110 -5.762 1.00 14.44 C ATOM 632 OE1 GLN A 84 -6.842 0.597 -5.801 1.00 75.12 O ATOM 633 NE2 GLN A 84 -5.618 2.349 -5.369 1.00 35.53 N ATOM 0 H GLN A 84 -3.530 -2.354 -5.521 1.00 42.13 H new ATOM 0 HA GLN A 84 -1.806 -0.218 -5.947 1.00 41.01 H new ATOM 0 HB2 GLN A 84 -4.229 -0.509 -4.149 1.00 3.23 H new ATOM 0 HB3 GLN A 84 -3.388 1.014 -4.363 1.00 3.23 H new ATOM 0 HG2 GLN A 84 -3.868 0.932 -6.815 1.00 41.03 H new ATOM 0 HG3 GLN A 84 -4.714 -0.587 -6.597 1.00 41.03 H new ATOM 0 HE21 GLN A 84 -4.699 2.790 -5.331 1.00 35.53 H new ATOM 0 HE22 GLN A 84 -6.448 2.877 -5.099 1.00 35.53 H new ATOM 642 N ILE A 85 -1.705 -1.568 -2.919 1.00 14.15 N ATOM 643 CA ILE A 85 -0.962 -1.641 -1.678 1.00 31.40 C ATOM 644 C ILE A 85 0.515 -1.788 -2.019 1.00 33.42 C ATOM 645 O ILE A 85 1.284 -0.914 -1.642 1.00 2.51 O ATOM 646 CB ILE A 85 -1.476 -2.785 -0.799 1.00 35.50 C ATOM 647 CG1 ILE A 85 -2.871 -2.436 -0.255 1.00 52.02 C ATOM 648 CG2 ILE A 85 -0.494 -3.019 0.355 1.00 33.01 C ATOM 649 CD1 ILE A 85 -3.550 -3.678 0.310 1.00 23.02 C ATOM 0 H ILE A 85 -2.416 -2.293 -3.019 1.00 14.15 H new ATOM 0 HA ILE A 85 -1.101 -0.730 -1.096 1.00 31.40 H new ATOM 0 HB ILE A 85 -1.552 -3.697 -1.391 1.00 35.50 H new ATOM 0 HG12 ILE A 85 -2.785 -1.676 0.522 1.00 52.02 H new ATOM 0 HG13 ILE A 85 -3.482 -2.011 -1.051 1.00 52.02 H new ATOM 0 HG21 ILE A 85 -0.857 -3.833 0.983 1.00 33.01 H new ATOM 0 HG22 ILE A 85 0.485 -3.280 -0.047 1.00 33.01 H new ATOM 0 HG23 ILE A 85 -0.410 -2.111 0.951 1.00 33.01 H new ATOM 0 HD11 ILE A 85 -4.536 -3.412 0.691 1.00 23.02 H new ATOM 0 HD12 ILE A 85 -3.654 -4.425 -0.477 1.00 23.02 H new ATOM 0 HD13 ILE A 85 -2.946 -4.086 1.121 1.00 23.02 H new ATOM 661 N ARG A 86 0.922 -2.862 -2.714 1.00 24.12 N ATOM 662 CA ARG A 86 2.324 -3.058 -3.080 1.00 41.43 C ATOM 663 C ARG A 86 2.903 -1.800 -3.690 1.00 75.42 C ATOM 664 O ARG A 86 3.974 -1.373 -3.272 1.00 54.53 O ATOM 665 CB ARG A 86 2.498 -4.235 -4.054 1.00 11.52 C ATOM 666 CG ARG A 86 3.954 -4.369 -4.558 1.00 5.43 C ATOM 667 CD ARG A 86 4.356 -3.543 -5.804 1.00 33.43 C ATOM 668 NE ARG A 86 3.504 -3.811 -6.969 1.00 33.24 N ATOM 669 CZ ARG A 86 3.618 -4.900 -7.744 1.00 2.54 C ATOM 670 NH1 ARG A 86 4.643 -5.736 -7.612 1.00 30.41 N ATOM 671 NH2 ARG A 86 2.704 -5.160 -8.669 1.00 51.22 N ATOM 0 H ARG A 86 0.298 -3.604 -3.031 1.00 24.12 H new ATOM 0 HA ARG A 86 2.864 -3.291 -2.163 1.00 41.43 H new ATOM 0 HB2 ARG A 86 2.200 -5.160 -3.560 1.00 11.52 H new ATOM 0 HB3 ARG A 86 1.832 -4.100 -4.906 1.00 11.52 H new ATOM 0 HG2 ARG A 86 4.620 -4.092 -3.741 1.00 5.43 H new ATOM 0 HG3 ARG A 86 4.139 -5.421 -4.777 1.00 5.43 H new ATOM 0 HD2 ARG A 86 4.306 -2.482 -5.561 1.00 33.43 H new ATOM 0 HD3 ARG A 86 5.392 -3.763 -6.060 1.00 33.43 H new ATOM 0 HE ARG A 86 2.783 -3.129 -7.203 1.00 33.24 H new ATOM 0 HH11 ARG A 86 5.362 -5.555 -6.911 1.00 30.41 H new ATOM 0 HH12 ARG A 86 4.711 -6.558 -8.211 1.00 30.41 H new ATOM 0 HH21 ARG A 86 1.911 -4.531 -8.793 1.00 51.22 H new ATOM 0 HH22 ARG A 86 2.794 -5.989 -9.256 1.00 51.22 H new ATOM 685 N TYR A 87 2.226 -1.216 -4.676 1.00 74.45 N ATOM 686 CA TYR A 87 2.768 -0.028 -5.305 1.00 51.55 C ATOM 687 C TYR A 87 2.953 1.119 -4.322 1.00 21.13 C ATOM 688 O TYR A 87 3.965 1.825 -4.364 1.00 24.34 O ATOM 689 CB TYR A 87 1.900 0.374 -6.493 1.00 21.01 C ATOM 690 CG TYR A 87 2.627 1.249 -7.492 1.00 53.15 C ATOM 691 CD1 TYR A 87 3.952 0.958 -7.888 1.00 14.31 C ATOM 692 CD2 TYR A 87 1.970 2.362 -8.043 1.00 71.04 C ATOM 693 CE1 TYR A 87 4.631 1.814 -8.766 1.00 41.21 C ATOM 694 CE2 TYR A 87 2.632 3.203 -8.951 1.00 61.41 C ATOM 695 CZ TYR A 87 3.979 2.954 -9.292 1.00 22.32 C ATOM 696 OH TYR A 87 4.650 3.832 -10.088 1.00 25.12 O ATOM 0 H TYR A 87 1.330 -1.537 -5.043 1.00 74.45 H new ATOM 0 HA TYR A 87 3.766 -0.268 -5.671 1.00 51.55 H new ATOM 0 HB2 TYR A 87 1.546 -0.525 -6.997 1.00 21.01 H new ATOM 0 HB3 TYR A 87 1.019 0.903 -6.129 1.00 21.01 H new ATOM 0 HD1 TYR A 87 4.443 0.073 -7.513 1.00 14.31 H new ATOM 0 HD2 TYR A 87 0.948 2.572 -7.766 1.00 71.04 H new ATOM 0 HE1 TYR A 87 5.654 1.603 -9.041 1.00 41.21 H new ATOM 0 HE2 TYR A 87 2.110 4.041 -9.389 1.00 61.41 H new ATOM 0 HH TYR A 87 4.046 4.555 -10.359 1.00 25.12 H new ATOM 706 N SER A 88 1.983 1.309 -3.433 1.00 73.01 N ATOM 707 CA SER A 88 2.070 2.372 -2.449 1.00 63.42 C ATOM 708 C SER A 88 3.275 2.080 -1.565 1.00 51.02 C ATOM 709 O SER A 88 4.089 2.970 -1.383 1.00 74.32 O ATOM 710 CB SER A 88 0.773 2.526 -1.651 1.00 15.10 C ATOM 711 OG SER A 88 0.855 3.669 -0.811 1.00 61.01 O ATOM 0 H SER A 88 1.136 0.744 -3.377 1.00 73.01 H new ATOM 0 HA SER A 88 2.205 3.334 -2.944 1.00 63.42 H new ATOM 0 HB2 SER A 88 -0.073 2.624 -2.331 1.00 15.10 H new ATOM 0 HB3 SER A 88 0.598 1.634 -1.050 1.00 15.10 H new ATOM 0 HG SER A 88 1.436 4.340 -1.227 1.00 61.01 H new ATOM 717 N LEU A 89 3.417 0.854 -1.055 1.00 62.15 N ATOM 718 CA LEU A 89 4.522 0.438 -0.199 1.00 31.14 C ATOM 719 C LEU A 89 5.863 0.706 -0.864 1.00 74.33 C ATOM 720 O LEU A 89 6.799 1.134 -0.194 1.00 52.02 O ATOM 721 CB LEU A 89 4.449 -1.069 0.085 1.00 2.55 C ATOM 722 CG LEU A 89 3.266 -1.496 0.941 1.00 33.24 C ATOM 723 CD1 LEU A 89 3.149 -3.011 0.919 1.00 73.45 C ATOM 724 CD2 LEU A 89 3.409 -0.996 2.366 1.00 55.01 C ATOM 0 H LEU A 89 2.747 0.106 -1.233 1.00 62.15 H new ATOM 0 HA LEU A 89 4.438 1.010 0.725 1.00 31.14 H new ATOM 0 HB2 LEU A 89 4.405 -1.603 -0.864 1.00 2.55 H new ATOM 0 HB3 LEU A 89 5.369 -1.377 0.581 1.00 2.55 H new ATOM 0 HG LEU A 89 2.359 -1.055 0.528 1.00 33.24 H new ATOM 0 HD11 LEU A 89 2.302 -3.319 1.532 1.00 73.45 H new ATOM 0 HD12 LEU A 89 2.998 -3.349 -0.106 1.00 73.45 H new ATOM 0 HD13 LEU A 89 4.063 -3.452 1.316 1.00 73.45 H new ATOM 0 HD21 LEU A 89 2.548 -1.317 2.952 1.00 55.01 H new ATOM 0 HD22 LEU A 89 4.320 -1.404 2.805 1.00 55.01 H new ATOM 0 HD23 LEU A 89 3.462 0.093 2.366 1.00 55.01 H new ATOM 736 N GLU A 90 5.975 0.421 -2.160 1.00 2.01 N ATOM 737 CA GLU A 90 7.206 0.623 -2.909 1.00 71.24 C ATOM 738 C GLU A 90 7.520 2.111 -3.013 1.00 73.23 C ATOM 739 O GLU A 90 8.682 2.508 -3.017 1.00 52.21 O ATOM 740 CB GLU A 90 7.080 0.007 -4.313 1.00 15.13 C ATOM 741 CG GLU A 90 7.311 -1.513 -4.270 1.00 31.32 C ATOM 742 CD GLU A 90 7.435 -2.199 -5.636 1.00 52.21 C ATOM 743 OE1 GLU A 90 6.971 -1.640 -6.657 1.00 3.43 O ATOM 744 OE2 GLU A 90 7.955 -3.343 -5.668 1.00 33.12 O ATOM 0 H GLU A 90 5.210 0.042 -2.719 1.00 2.01 H new ATOM 0 HA GLU A 90 8.022 0.129 -2.382 1.00 71.24 H new ATOM 0 HB2 GLU A 90 6.090 0.217 -4.719 1.00 15.13 H new ATOM 0 HB3 GLU A 90 7.804 0.470 -4.984 1.00 15.13 H new ATOM 0 HG2 GLU A 90 8.219 -1.709 -3.700 1.00 31.32 H new ATOM 0 HG3 GLU A 90 6.487 -1.973 -3.725 1.00 31.32 H new ATOM 751 N ASN A 91 6.495 2.951 -3.098 1.00 35.43 N ATOM 752 CA ASN A 91 6.689 4.388 -3.209 1.00 15.21 C ATOM 753 C ASN A 91 6.934 5.073 -1.863 1.00 2.13 C ATOM 754 O ASN A 91 7.847 5.897 -1.788 1.00 21.21 O ATOM 755 CB ASN A 91 5.527 5.032 -3.962 1.00 23.25 C ATOM 756 CG ASN A 91 5.681 4.809 -5.464 1.00 42.24 C ATOM 757 OD1 ASN A 91 6.383 5.532 -6.160 1.00 40.05 O ATOM 758 ND2 ASN A 91 5.085 3.762 -6.010 1.00 11.53 N ATOM 0 H ASN A 91 5.518 2.658 -3.092 1.00 35.43 H new ATOM 0 HA ASN A 91 7.603 4.536 -3.785 1.00 15.21 H new ATOM 0 HB2 ASN A 91 4.583 4.608 -3.619 1.00 23.25 H new ATOM 0 HB3 ASN A 91 5.493 6.100 -3.748 1.00 23.25 H new ATOM 0 HD21 ASN A 91 5.212 3.563 -7.002 1.00 11.53 H new ATOM 0 HD22 ASN A 91 4.498 3.154 -5.439 1.00 11.53 H new ATOM 765 N THR A 92 6.149 4.774 -0.822 1.00 31.11 N ATOM 766 CA THR A 92 6.260 5.352 0.512 1.00 24.45 C ATOM 767 C THR A 92 7.487 4.790 1.240 1.00 62.32 C ATOM 768 O THR A 92 8.262 5.521 1.851 1.00 41.40 O ATOM 769 CB THR A 92 4.972 4.981 1.285 1.00 44.41 C ATOM 770 OG1 THR A 92 4.838 3.573 1.388 1.00 75.11 O ATOM 771 CG2 THR A 92 3.688 5.508 0.638 1.00 71.24 C ATOM 0 H THR A 92 5.391 4.096 -0.894 1.00 31.11 H new ATOM 0 HA THR A 92 6.377 6.434 0.448 1.00 24.45 H new ATOM 0 HB THR A 92 5.088 5.451 2.262 1.00 44.41 H new ATOM 0 HG1 THR A 92 4.459 3.219 0.557 1.00 75.11 H new ATOM 0 HG21 THR A 92 2.829 5.207 1.237 1.00 71.24 H new ATOM 0 HG22 THR A 92 3.729 6.596 0.582 1.00 71.24 H new ATOM 0 HG23 THR A 92 3.591 5.096 -0.367 1.00 71.24 H new ATOM 779 N GLY A 93 7.720 3.487 1.098 1.00 23.51 N ATOM 780 CA GLY A 93 8.810 2.735 1.699 1.00 23.34 C ATOM 781 C GLY A 93 8.525 2.359 3.148 1.00 2.01 C ATOM 782 O GLY A 93 9.403 1.772 3.777 1.00 3.22 O ATOM 0 H GLY A 93 7.116 2.897 0.526 1.00 23.51 H new ATOM 0 HA2 GLY A 93 8.986 1.829 1.119 1.00 23.34 H new ATOM 0 HA3 GLY A 93 9.725 3.326 1.653 1.00 23.34 H new ATOM 786 N SER A 94 7.319 2.635 3.664 1.00 32.43 N ATOM 787 CA SER A 94 6.907 2.319 5.027 1.00 2.24 C ATOM 788 C SER A 94 5.431 1.883 5.048 1.00 23.31 C ATOM 789 O SER A 94 4.573 2.569 4.483 1.00 1.41 O ATOM 790 CB SER A 94 7.193 3.527 5.942 1.00 5.51 C ATOM 791 OG SER A 94 8.546 3.951 5.837 1.00 33.11 O ATOM 0 H SER A 94 6.587 3.097 3.124 1.00 32.43 H new ATOM 0 HA SER A 94 7.483 1.478 5.412 1.00 2.24 H new ATOM 0 HB2 SER A 94 6.531 4.351 5.676 1.00 5.51 H new ATOM 0 HB3 SER A 94 6.973 3.262 6.976 1.00 5.51 H new ATOM 0 HG SER A 94 8.695 4.719 6.428 1.00 33.11 H new ATOM 797 N VAL A 95 5.130 0.714 5.638 1.00 64.33 N ATOM 798 CA VAL A 95 3.759 0.202 5.763 1.00 14.33 C ATOM 799 C VAL A 95 2.992 1.256 6.545 1.00 62.12 C ATOM 800 O VAL A 95 1.950 1.694 6.083 1.00 52.01 O ATOM 801 CB VAL A 95 3.680 -1.169 6.476 1.00 22.35 C ATOM 802 CG1 VAL A 95 2.291 -1.550 6.993 1.00 42.45 C ATOM 803 CG2 VAL A 95 4.208 -2.313 5.621 1.00 10.42 C ATOM 0 H VAL A 95 5.835 0.097 6.042 1.00 64.33 H new ATOM 0 HA VAL A 95 3.339 0.028 4.772 1.00 14.33 H new ATOM 0 HB VAL A 95 4.325 -1.024 7.342 1.00 22.35 H new ATOM 0 HG11 VAL A 95 2.338 -2.526 7.476 1.00 42.45 H new ATOM 0 HG12 VAL A 95 1.953 -0.804 7.713 1.00 42.45 H new ATOM 0 HG13 VAL A 95 1.591 -1.592 6.159 1.00 42.45 H new ATOM 0 HG21 VAL A 95 4.127 -3.248 6.174 1.00 10.42 H new ATOM 0 HG22 VAL A 95 3.623 -2.382 4.704 1.00 10.42 H new ATOM 0 HG23 VAL A 95 5.253 -2.129 5.372 1.00 10.42 H new ATOM 813 N GLU A 96 3.535 1.709 7.673 1.00 43.11 N ATOM 814 CA GLU A 96 2.914 2.711 8.523 1.00 51.10 C ATOM 815 C GLU A 96 2.540 3.955 7.726 1.00 74.35 C ATOM 816 O GLU A 96 1.428 4.443 7.878 1.00 5.34 O ATOM 817 CB GLU A 96 3.824 2.993 9.718 1.00 30.11 C ATOM 818 CG GLU A 96 5.172 3.654 9.410 1.00 12.41 C ATOM 819 CD GLU A 96 6.192 3.294 10.492 1.00 13.00 C ATOM 820 OE1 GLU A 96 6.500 2.083 10.624 1.00 51.24 O ATOM 821 OE2 GLU A 96 6.667 4.193 11.215 1.00 73.54 O ATOM 0 H GLU A 96 4.435 1.381 8.024 1.00 43.11 H new ATOM 0 HA GLU A 96 1.971 2.333 8.918 1.00 51.10 H new ATOM 0 HB2 GLU A 96 3.283 3.632 10.416 1.00 30.11 H new ATOM 0 HB3 GLU A 96 4.015 2.050 10.231 1.00 30.11 H new ATOM 0 HG2 GLU A 96 5.533 3.326 8.435 1.00 12.41 H new ATOM 0 HG3 GLU A 96 5.052 4.736 9.358 1.00 12.41 H new ATOM 828 N GLU A 97 3.413 4.430 6.828 1.00 33.03 N ATOM 829 CA GLU A 97 3.101 5.605 6.018 1.00 45.14 C ATOM 830 C GLU A 97 1.867 5.304 5.170 1.00 62.32 C ATOM 831 O GLU A 97 0.981 6.147 5.050 1.00 23.54 O ATOM 832 CB GLU A 97 4.291 5.989 5.118 1.00 62.44 C ATOM 833 CG GLU A 97 3.871 7.087 4.135 1.00 71.43 C ATOM 834 CD GLU A 97 5.030 7.973 3.710 1.00 53.53 C ATOM 835 OE1 GLU A 97 5.293 8.956 4.436 1.00 43.54 O ATOM 836 OE2 GLU A 97 5.570 7.772 2.606 1.00 32.41 O ATOM 0 H GLU A 97 4.330 4.021 6.648 1.00 33.03 H new ATOM 0 HA GLU A 97 2.901 6.451 6.676 1.00 45.14 H new ATOM 0 HB2 GLU A 97 5.123 6.336 5.730 1.00 62.44 H new ATOM 0 HB3 GLU A 97 4.641 5.114 4.571 1.00 62.44 H new ATOM 0 HG2 GLU A 97 3.428 6.627 3.251 1.00 71.43 H new ATOM 0 HG3 GLU A 97 3.098 7.703 4.595 1.00 71.43 H new ATOM 843 N THR A 98 1.829 4.110 4.582 1.00 44.21 N ATOM 844 CA THR A 98 0.769 3.588 3.741 1.00 41.25 C ATOM 845 C THR A 98 -0.559 3.483 4.509 1.00 71.42 C ATOM 846 O THR A 98 -1.614 3.825 3.975 1.00 63.54 O ATOM 847 CB THR A 98 1.254 2.274 3.113 1.00 34.23 C ATOM 848 OG1 THR A 98 2.540 2.483 2.547 1.00 42.22 O ATOM 849 CG2 THR A 98 0.308 1.822 2.010 1.00 52.43 C ATOM 0 H THR A 98 2.592 3.442 4.692 1.00 44.21 H new ATOM 0 HA THR A 98 0.546 4.275 2.925 1.00 41.25 H new ATOM 0 HB THR A 98 1.289 1.508 3.888 1.00 34.23 H new ATOM 0 HG1 THR A 98 3.224 2.380 3.241 1.00 42.22 H new ATOM 0 HG21 THR A 98 0.671 0.889 1.579 1.00 52.43 H new ATOM 0 HG22 THR A 98 -0.688 1.667 2.426 1.00 52.43 H new ATOM 0 HG23 THR A 98 0.262 2.586 1.234 1.00 52.43 H new ATOM 857 N VAL A 99 -0.529 3.056 5.766 1.00 71.02 N ATOM 858 CA VAL A 99 -1.729 2.939 6.590 1.00 72.33 C ATOM 859 C VAL A 99 -2.182 4.352 7.015 1.00 45.14 C ATOM 860 O VAL A 99 -3.381 4.639 7.040 1.00 61.02 O ATOM 861 CB VAL A 99 -1.469 2.011 7.802 1.00 11.44 C ATOM 862 CG1 VAL A 99 -2.753 1.803 8.621 1.00 74.32 C ATOM 863 CG2 VAL A 99 -0.969 0.607 7.409 1.00 5.42 C ATOM 0 H VAL A 99 0.329 2.780 6.244 1.00 71.02 H new ATOM 0 HA VAL A 99 -2.535 2.480 6.018 1.00 72.33 H new ATOM 0 HB VAL A 99 -0.696 2.520 8.377 1.00 11.44 H new ATOM 0 HG11 VAL A 99 -2.543 1.148 9.466 1.00 74.32 H new ATOM 0 HG12 VAL A 99 -3.110 2.765 8.988 1.00 74.32 H new ATOM 0 HG13 VAL A 99 -3.517 1.349 7.990 1.00 74.32 H new ATOM 0 HG21 VAL A 99 -0.808 0.013 8.309 1.00 5.42 H new ATOM 0 HG22 VAL A 99 -1.713 0.119 6.780 1.00 5.42 H new ATOM 0 HG23 VAL A 99 -0.031 0.695 6.860 1.00 5.42 H new ATOM 873 N GLU A 100 -1.236 5.255 7.298 1.00 4.12 N ATOM 874 CA GLU A 100 -1.488 6.626 7.736 1.00 33.42 C ATOM 875 C GLU A 100 -2.084 7.486 6.626 1.00 64.22 C ATOM 876 O GLU A 100 -2.890 8.375 6.901 1.00 3.34 O ATOM 877 CB GLU A 100 -0.217 7.227 8.364 1.00 11.00 C ATOM 878 CG GLU A 100 -0.046 6.692 9.796 1.00 25.02 C ATOM 879 CD GLU A 100 0.949 7.497 10.628 1.00 65.10 C ATOM 880 OE1 GLU A 100 2.115 7.708 10.224 1.00 52.23 O ATOM 881 OE2 GLU A 100 0.537 7.929 11.730 1.00 54.41 O ATOM 0 H GLU A 100 -0.241 5.041 7.225 1.00 4.12 H new ATOM 0 HA GLU A 100 -2.251 6.606 8.514 1.00 33.42 H new ATOM 0 HB2 GLU A 100 0.655 6.970 7.762 1.00 11.00 H new ATOM 0 HB3 GLU A 100 -0.285 8.315 8.377 1.00 11.00 H new ATOM 0 HG2 GLU A 100 -1.015 6.697 10.296 1.00 25.02 H new ATOM 0 HG3 GLU A 100 0.284 5.654 9.751 1.00 25.02 H new ATOM 888 N ARG A 101 -1.730 7.217 5.371 1.00 63.03 N ATOM 889 CA ARG A 101 -2.272 7.941 4.224 1.00 21.03 C ATOM 890 C ARG A 101 -3.620 7.317 3.858 1.00 25.45 C ATOM 891 O ARG A 101 -4.553 8.018 3.483 1.00 35.12 O ATOM 892 CB ARG A 101 -1.267 7.963 3.070 1.00 71.32 C ATOM 893 CG ARG A 101 -0.878 6.570 2.574 1.00 10.20 C ATOM 894 CD ARG A 101 0.399 6.538 1.737 1.00 24.33 C ATOM 895 NE ARG A 101 0.349 7.571 0.712 1.00 41.33 N ATOM 896 CZ ARG A 101 -0.145 7.457 -0.528 1.00 34.32 C ATOM 897 NH1 ARG A 101 -0.381 6.273 -1.082 1.00 4.43 N ATOM 898 NH2 ARG A 101 -0.433 8.540 -1.232 1.00 23.15 N ATOM 0 H ARG A 101 -1.059 6.491 5.121 1.00 63.03 H new ATOM 0 HA ARG A 101 -2.445 8.989 4.469 1.00 21.03 H new ATOM 0 HB2 ARG A 101 -1.690 8.530 2.241 1.00 71.32 H new ATOM 0 HB3 ARG A 101 -0.368 8.490 3.391 1.00 71.32 H new ATOM 0 HG2 ARG A 101 -0.752 5.912 3.434 1.00 10.20 H new ATOM 0 HG3 ARG A 101 -1.698 6.166 1.981 1.00 10.20 H new ATOM 0 HD2 ARG A 101 1.267 6.692 2.378 1.00 24.33 H new ATOM 0 HD3 ARG A 101 0.515 5.559 1.273 1.00 24.33 H new ATOM 0 HE ARG A 101 0.732 8.481 0.966 1.00 41.33 H new ATOM 0 HH11 ARG A 101 -0.186 5.418 -0.561 1.00 4.43 H new ATOM 0 HH12 ARG A 101 -0.758 6.219 -2.028 1.00 4.43 H new ATOM 0 HH21 ARG A 101 -0.279 9.465 -0.831 1.00 23.15 H new ATOM 0 HH22 ARG A 101 -0.809 8.450 -2.176 1.00 23.15 H new ATOM 912 N TYR A 102 -3.753 5.999 3.992 1.00 70.13 N ATOM 913 CA TYR A 102 -4.992 5.278 3.704 1.00 5.42 C ATOM 914 C TYR A 102 -6.124 5.829 4.568 1.00 71.43 C ATOM 915 O TYR A 102 -7.137 6.285 4.037 1.00 33.10 O ATOM 916 CB TYR A 102 -4.794 3.793 3.981 1.00 73.44 C ATOM 917 CG TYR A 102 -6.064 3.047 4.318 1.00 55.21 C ATOM 918 CD1 TYR A 102 -7.015 2.813 3.312 1.00 43.55 C ATOM 919 CD2 TYR A 102 -6.333 2.679 5.650 1.00 12.52 C ATOM 920 CE1 TYR A 102 -8.204 2.137 3.618 1.00 33.04 C ATOM 921 CE2 TYR A 102 -7.532 2.016 5.967 1.00 72.11 C ATOM 922 CZ TYR A 102 -8.466 1.720 4.944 1.00 75.21 C ATOM 923 OH TYR A 102 -9.593 0.997 5.202 1.00 14.03 O ATOM 0 H TYR A 102 -2.995 5.394 4.307 1.00 70.13 H new ATOM 0 HA TYR A 102 -5.254 5.412 2.655 1.00 5.42 H new ATOM 0 HB2 TYR A 102 -4.336 3.330 3.107 1.00 73.44 H new ATOM 0 HB3 TYR A 102 -4.091 3.680 4.806 1.00 73.44 H new ATOM 0 HD1 TYR A 102 -6.831 3.153 2.304 1.00 43.55 H new ATOM 0 HD2 TYR A 102 -5.619 2.906 6.428 1.00 12.52 H new ATOM 0 HE1 TYR A 102 -8.923 1.934 2.838 1.00 33.04 H new ATOM 0 HE2 TYR A 102 -7.740 1.733 6.988 1.00 72.11 H new ATOM 0 HH TYR A 102 -9.633 0.784 6.158 1.00 14.03 H new ATOM 933 N LEU A 103 -5.949 5.832 5.895 1.00 55.32 N ATOM 934 CA LEU A 103 -6.964 6.346 6.811 1.00 1.14 C ATOM 935 C LEU A 103 -7.309 7.800 6.498 1.00 53.22 C ATOM 936 O LEU A 103 -8.434 8.219 6.768 1.00 44.35 O ATOM 937 CB LEU A 103 -6.550 6.150 8.278 1.00 24.34 C ATOM 938 CG LEU A 103 -5.270 6.895 8.712 1.00 43.32 C ATOM 939 CD1 LEU A 103 -5.500 8.353 9.150 1.00 62.31 C ATOM 940 CD2 LEU A 103 -4.631 6.137 9.880 1.00 55.31 C ATOM 0 H LEU A 103 -5.109 5.482 6.356 1.00 55.32 H new ATOM 0 HA LEU A 103 -7.873 5.764 6.660 1.00 1.14 H new ATOM 0 HB2 LEU A 103 -7.372 6.474 8.916 1.00 24.34 H new ATOM 0 HB3 LEU A 103 -6.408 5.084 8.458 1.00 24.34 H new ATOM 0 HG LEU A 103 -4.626 6.930 7.834 1.00 43.32 H new ATOM 0 HD11 LEU A 103 -4.549 8.801 9.438 1.00 62.31 H new ATOM 0 HD12 LEU A 103 -5.931 8.918 8.323 1.00 62.31 H new ATOM 0 HD13 LEU A 103 -6.183 8.374 9.999 1.00 62.31 H new ATOM 0 HD21 LEU A 103 -3.725 6.653 10.197 1.00 55.31 H new ATOM 0 HD22 LEU A 103 -5.333 6.093 10.713 1.00 55.31 H new ATOM 0 HD23 LEU A 103 -4.380 5.125 9.563 1.00 55.31 H new ATOM 952 N ARG A 104 -6.393 8.562 5.884 1.00 65.43 N ATOM 953 CA ARG A 104 -6.634 9.960 5.534 1.00 52.14 C ATOM 954 C ARG A 104 -7.380 10.090 4.197 1.00 33.12 C ATOM 955 O ARG A 104 -7.807 11.187 3.846 1.00 31.25 O ATOM 956 CB ARG A 104 -5.326 10.774 5.636 1.00 3.04 C ATOM 957 CG ARG A 104 -4.610 11.049 4.304 1.00 74.31 C ATOM 958 CD ARG A 104 -4.860 12.467 3.795 1.00 61.31 C ATOM 959 NE ARG A 104 -3.702 13.310 4.101 1.00 71.21 N ATOM 960 CZ ARG A 104 -3.560 14.613 3.872 1.00 53.03 C ATOM 961 NH1 ARG A 104 -4.551 15.303 3.329 1.00 51.05 N ATOM 962 NH2 ARG A 104 -2.410 15.193 4.190 1.00 2.10 N ATOM 0 H ARG A 104 -5.468 8.223 5.619 1.00 65.43 H new ATOM 0 HA ARG A 104 -7.313 10.405 6.262 1.00 52.14 H new ATOM 0 HB2 ARG A 104 -5.549 11.729 6.112 1.00 3.04 H new ATOM 0 HB3 ARG A 104 -4.639 10.243 6.295 1.00 3.04 H new ATOM 0 HG2 ARG A 104 -3.539 10.894 4.431 1.00 74.31 H new ATOM 0 HG3 ARG A 104 -4.949 10.332 3.557 1.00 74.31 H new ATOM 0 HD2 ARG A 104 -5.038 12.452 2.720 1.00 61.31 H new ATOM 0 HD3 ARG A 104 -5.755 12.879 4.260 1.00 61.31 H new ATOM 0 HE ARG A 104 -2.910 12.843 4.542 1.00 71.21 H new ATOM 0 HH11 ARG A 104 -5.424 14.836 3.086 1.00 51.05 H new ATOM 0 HH12 ARG A 104 -4.441 16.302 3.154 1.00 51.05 H new ATOM 0 HH21 ARG A 104 -1.657 14.641 4.601 1.00 2.10 H new ATOM 0 HH22 ARG A 104 -2.279 16.191 4.023 1.00 2.10 H new ATOM 976 N GLY A 105 -7.559 8.989 3.462 1.00 53.41 N ATOM 977 CA GLY A 105 -8.264 8.971 2.190 1.00 11.52 C ATOM 978 C GLY A 105 -7.389 9.474 1.056 1.00 12.43 C ATOM 979 O GLY A 105 -7.910 10.035 0.091 1.00 42.12 O ATOM 0 H GLY A 105 -7.210 8.073 3.744 1.00 53.41 H new ATOM 0 HA2 GLY A 105 -8.595 7.956 1.972 1.00 11.52 H new ATOM 0 HA3 GLY A 105 -9.159 9.589 2.261 1.00 11.52 H new ATOM 983 N ASP A 106 -6.072 9.299 1.178 1.00 70.05 N ATOM 984 CA ASP A 106 -5.123 9.751 0.167 1.00 55.11 C ATOM 985 C ASP A 106 -5.262 8.970 -1.144 1.00 70.31 C ATOM 986 O ASP A 106 -6.061 8.030 -1.246 1.00 40.13 O ATOM 987 CB ASP A 106 -3.694 9.687 0.712 1.00 44.43 C ATOM 988 CG ASP A 106 -2.860 10.840 0.170 1.00 61.14 C ATOM 989 OD1 ASP A 106 -2.439 10.801 -1.006 1.00 40.53 O ATOM 990 OD2 ASP A 106 -2.615 11.815 0.917 1.00 61.33 O ATOM 0 H ASP A 106 -5.637 8.841 1.979 1.00 70.05 H new ATOM 0 HA ASP A 106 -5.355 10.790 -0.067 1.00 55.11 H new ATOM 0 HB2 ASP A 106 -3.713 9.725 1.801 1.00 44.43 H new ATOM 0 HB3 ASP A 106 -3.236 8.738 0.434 1.00 44.43 H new ATOM 995 N GLU A 107 -4.527 9.394 -2.168 1.00 72.13 N ATOM 996 CA GLU A 107 -4.510 8.786 -3.486 1.00 32.32 C ATOM 997 C GLU A 107 -3.599 7.575 -3.466 1.00 43.20 C ATOM 998 O GLU A 107 -2.524 7.594 -2.862 1.00 4.51 O ATOM 999 CB GLU A 107 -4.017 9.784 -4.536 1.00 22.24 C ATOM 1000 CG GLU A 107 -4.881 11.048 -4.593 1.00 60.21 C ATOM 1001 CD GLU A 107 -4.590 11.825 -5.875 1.00 43.32 C ATOM 1002 OE1 GLU A 107 -3.559 12.541 -5.941 1.00 60.42 O ATOM 1003 OE2 GLU A 107 -5.322 11.637 -6.874 1.00 23.43 O ATOM 0 H GLU A 107 -3.906 10.200 -2.096 1.00 72.13 H new ATOM 0 HA GLU A 107 -5.524 8.483 -3.747 1.00 32.32 H new ATOM 0 HB2 GLU A 107 -2.987 10.061 -4.314 1.00 22.24 H new ATOM 0 HB3 GLU A 107 -4.014 9.305 -5.515 1.00 22.24 H new ATOM 0 HG2 GLU A 107 -5.936 10.779 -4.553 1.00 60.21 H new ATOM 0 HG3 GLU A 107 -4.679 11.675 -3.725 1.00 60.21 H new ATOM 1010 N PHE A 108 -4.034 6.531 -4.159 1.00 62.12 N ATOM 1011 CA PHE A 108 -3.322 5.279 -4.283 1.00 54.51 C ATOM 1012 C PHE A 108 -3.330 4.912 -5.762 1.00 71.05 C ATOM 1013 O PHE A 108 -4.357 4.534 -6.318 1.00 23.04 O ATOM 1014 CB PHE A 108 -3.994 4.196 -3.423 1.00 10.31 C ATOM 1015 CG PHE A 108 -3.621 4.192 -1.954 1.00 54.21 C ATOM 1016 CD1 PHE A 108 -4.123 5.169 -1.074 1.00 73.30 C ATOM 1017 CD2 PHE A 108 -2.783 3.178 -1.457 1.00 40.22 C ATOM 1018 CE1 PHE A 108 -3.736 5.178 0.270 1.00 24.33 C ATOM 1019 CE2 PHE A 108 -2.431 3.160 -0.098 1.00 54.31 C ATOM 1020 CZ PHE A 108 -2.891 4.171 0.760 1.00 2.33 C ATOM 0 H PHE A 108 -4.920 6.539 -4.664 1.00 62.12 H new ATOM 0 HA PHE A 108 -2.296 5.366 -3.926 1.00 54.51 H new ATOM 0 HB2 PHE A 108 -5.075 4.314 -3.503 1.00 10.31 H new ATOM 0 HB3 PHE A 108 -3.748 3.221 -3.843 1.00 10.31 H new ATOM 0 HD1 PHE A 108 -4.812 5.917 -1.439 1.00 73.30 H new ATOM 0 HD2 PHE A 108 -2.410 2.412 -2.121 1.00 40.22 H new ATOM 0 HE1 PHE A 108 -4.087 5.958 0.929 1.00 24.33 H new ATOM 0 HE2 PHE A 108 -1.806 2.368 0.287 1.00 54.31 H new ATOM 0 HZ PHE A 108 -2.594 4.174 1.798 1.00 2.33 H new ATOM 1030 N SER A 109 -2.180 4.996 -6.411 1.00 44.41 N ATOM 1031 CA SER A 109 -2.033 4.653 -7.822 1.00 23.02 C ATOM 1032 C SER A 109 -1.829 3.142 -7.986 1.00 60.53 C ATOM 1033 O SER A 109 -1.624 2.416 -7.002 1.00 53.21 O ATOM 1034 CB SER A 109 -0.823 5.409 -8.392 1.00 63.42 C ATOM 1035 OG SER A 109 -0.854 5.547 -9.796 1.00 44.11 O ATOM 0 H SER A 109 -1.313 5.306 -5.972 1.00 44.41 H new ATOM 0 HA SER A 109 -2.937 4.938 -8.361 1.00 23.02 H new ATOM 0 HB2 SER A 109 -0.777 6.399 -7.939 1.00 63.42 H new ATOM 0 HB3 SER A 109 0.089 4.885 -8.107 1.00 63.42 H new ATOM 0 HG SER A 109 -0.059 6.037 -10.094 1.00 44.11 H new ATOM 1041 N PHE A 110 -1.890 2.676 -9.236 1.00 74.33 N ATOM 1042 CA PHE A 110 -1.708 1.273 -9.622 1.00 73.24 C ATOM 1043 C PHE A 110 -0.276 1.100 -10.154 1.00 71.04 C ATOM 1044 O PHE A 110 0.275 2.058 -10.703 1.00 12.41 O ATOM 1045 CB PHE A 110 -2.772 0.803 -10.642 1.00 61.55 C ATOM 1046 CG PHE A 110 -4.166 0.524 -10.076 1.00 65.02 C ATOM 1047 CD1 PHE A 110 -4.939 1.575 -9.550 1.00 73.14 C ATOM 1048 CD2 PHE A 110 -4.682 -0.793 -10.005 1.00 2.24 C ATOM 1049 CE1 PHE A 110 -6.180 1.314 -8.947 1.00 11.22 C ATOM 1050 CE2 PHE A 110 -5.934 -1.047 -9.426 1.00 51.11 C ATOM 1051 CZ PHE A 110 -6.683 0.005 -8.886 1.00 61.21 C ATOM 0 H PHE A 110 -2.073 3.284 -10.034 1.00 74.33 H new ATOM 0 HA PHE A 110 -1.849 0.637 -8.748 1.00 73.24 H new ATOM 0 HB2 PHE A 110 -2.862 1.562 -11.419 1.00 61.55 H new ATOM 0 HB3 PHE A 110 -2.409 -0.105 -11.124 1.00 61.55 H new ATOM 0 HD1 PHE A 110 -4.575 2.590 -9.610 1.00 73.14 H new ATOM 0 HD2 PHE A 110 -4.103 -1.614 -10.402 1.00 2.24 H new ATOM 0 HE1 PHE A 110 -6.752 2.128 -8.526 1.00 11.22 H new ATOM 0 HE2 PHE A 110 -6.320 -2.055 -9.397 1.00 51.11 H new ATOM 0 HZ PHE A 110 -7.641 -0.189 -8.426 1.00 61.21 H new ATOM 1061 N PRO A 111 0.338 -0.091 -10.007 1.00 30.14 N ATOM 1062 CA PRO A 111 1.700 -0.362 -10.443 1.00 41.01 C ATOM 1063 C PRO A 111 1.886 -0.322 -11.959 1.00 1.33 C ATOM 1064 O PRO A 111 0.905 -0.372 -12.703 1.00 3.21 O ATOM 1065 CB PRO A 111 2.060 -1.738 -9.873 1.00 55.13 C ATOM 1066 CG PRO A 111 0.727 -2.419 -9.618 1.00 33.44 C ATOM 1067 CD PRO A 111 -0.238 -1.267 -9.388 1.00 62.34 C ATOM 0 HA PRO A 111 2.362 0.422 -10.076 1.00 41.01 H new ATOM 0 HB2 PRO A 111 2.667 -2.309 -10.575 1.00 55.13 H new ATOM 0 HB3 PRO A 111 2.638 -1.645 -8.954 1.00 55.13 H new ATOM 0 HG2 PRO A 111 0.423 -3.031 -10.467 1.00 33.44 H new ATOM 0 HG3 PRO A 111 0.775 -3.078 -8.751 1.00 33.44 H new ATOM 0 HD2 PRO A 111 -1.213 -1.490 -9.821 1.00 62.34 H new ATOM 0 HD3 PRO A 111 -0.393 -1.103 -8.322 1.00 62.34 H new ATOM 1075 N PRO A 112 3.147 -0.294 -12.426 1.00 52.05 N ATOM 1076 CA PRO A 112 3.467 -0.256 -13.843 1.00 22.43 C ATOM 1077 C PRO A 112 2.987 -1.515 -14.568 1.00 11.53 C ATOM 1078 O PRO A 112 3.140 -2.637 -14.076 1.00 44.13 O ATOM 1079 CB PRO A 112 4.993 -0.105 -13.905 1.00 14.15 C ATOM 1080 CG PRO A 112 5.483 -0.669 -12.576 1.00 15.41 C ATOM 1081 CD PRO A 112 4.372 -0.232 -11.636 1.00 12.24 C ATOM 0 HA PRO A 112 2.962 0.567 -14.348 1.00 22.43 H new ATOM 0 HB2 PRO A 112 5.413 -0.653 -14.748 1.00 14.15 H new ATOM 0 HB3 PRO A 112 5.285 0.938 -14.026 1.00 14.15 H new ATOM 0 HG2 PRO A 112 5.593 -1.753 -12.606 1.00 15.41 H new ATOM 0 HG3 PRO A 112 6.450 -0.258 -12.287 1.00 15.41 H new ATOM 0 HD2 PRO A 112 4.312 -0.887 -10.767 1.00 12.24 H new ATOM 0 HD3 PRO A 112 4.548 0.777 -11.263 1.00 12.24 H new ATOM 1089 N GLY A 113 2.459 -1.334 -15.776 1.00 33.41 N ATOM 1090 CA GLY A 113 1.956 -2.412 -16.617 1.00 43.21 C ATOM 1091 C GLY A 113 0.586 -2.936 -16.196 1.00 15.24 C ATOM 1092 O GLY A 113 0.109 -3.890 -16.810 1.00 24.24 O ATOM 0 H GLY A 113 2.368 -0.413 -16.205 1.00 33.41 H new ATOM 0 HA2 GLY A 113 1.899 -2.060 -17.647 1.00 43.21 H new ATOM 0 HA3 GLY A 113 2.670 -3.236 -16.601 1.00 43.21 H new ATOM 1096 N PHE A 114 -0.022 -2.398 -15.133 1.00 23.23 N ATOM 1097 CA PHE A 114 -1.343 -2.833 -14.709 1.00 70.32 C ATOM 1098 C PHE A 114 -2.381 -2.352 -15.733 1.00 61.34 C ATOM 1099 O PHE A 114 -3.399 -3.009 -15.948 1.00 43.34 O ATOM 1100 CB PHE A 114 -1.639 -2.258 -13.319 1.00 70.31 C ATOM 1101 CG PHE A 114 -2.916 -2.792 -12.706 1.00 63.41 C ATOM 1102 CD1 PHE A 114 -4.161 -2.228 -13.048 1.00 54.34 C ATOM 1103 CD2 PHE A 114 -2.857 -3.879 -11.816 1.00 40.14 C ATOM 1104 CE1 PHE A 114 -5.346 -2.755 -12.504 1.00 23.35 C ATOM 1105 CE2 PHE A 114 -4.035 -4.390 -11.252 1.00 13.32 C ATOM 1106 CZ PHE A 114 -5.280 -3.827 -11.595 1.00 43.44 C ATOM 0 H PHE A 114 0.385 -1.662 -14.556 1.00 23.23 H new ATOM 0 HA PHE A 114 -1.386 -3.921 -14.652 1.00 70.32 H new ATOM 0 HB2 PHE A 114 -0.804 -2.484 -12.655 1.00 70.31 H new ATOM 0 HB3 PHE A 114 -1.705 -1.172 -13.390 1.00 70.31 H new ATOM 0 HD1 PHE A 114 -4.205 -1.390 -13.728 1.00 54.34 H new ATOM 0 HD2 PHE A 114 -1.904 -4.321 -11.566 1.00 40.14 H new ATOM 0 HE1 PHE A 114 -6.303 -2.339 -12.783 1.00 23.35 H new ATOM 0 HE2 PHE A 114 -3.988 -5.214 -10.556 1.00 13.32 H new ATOM 0 HZ PHE A 114 -6.187 -4.219 -11.159 1.00 43.44 H new ATOM 1116 N GLU A 115 -2.141 -1.175 -16.310 1.00 41.50 N ATOM 1117 CA GLU A 115 -2.963 -0.509 -17.311 1.00 60.12 C ATOM 1118 C GLU A 115 -2.887 -1.210 -18.669 1.00 13.13 C ATOM 1119 O GLU A 115 -2.313 -2.312 -18.780 1.00 43.51 O ATOM 1120 CB GLU A 115 -2.468 0.945 -17.412 1.00 4.25 C ATOM 1121 CG GLU A 115 -1.051 1.045 -18.014 1.00 11.22 C ATOM 1122 CD GLU A 115 -0.454 2.453 -17.943 1.00 51.21 C ATOM 1123 OE1 GLU A 115 -1.011 3.370 -17.291 1.00 30.01 O ATOM 1124 OE2 GLU A 115 0.614 2.669 -18.560 1.00 4.20 O ATOM 0 H GLU A 115 -1.313 -0.629 -16.073 1.00 41.50 H new ATOM 0 HA GLU A 115 -4.011 -0.542 -17.013 1.00 60.12 H new ATOM 0 HB2 GLU A 115 -3.162 1.520 -18.026 1.00 4.25 H new ATOM 0 HB3 GLU A 115 -2.471 1.396 -16.420 1.00 4.25 H new ATOM 0 HG2 GLU A 115 -0.392 0.353 -17.489 1.00 11.22 H new ATOM 0 HG3 GLU A 115 -1.084 0.725 -19.056 1.00 11.22 H new