USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 880 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 91 THR OG1 : rot -80:sc= -0.171 USER MOD Set 1.2: A 93 CYS SG : rot -32:sc= -0.904 USER MOD Set 2.1: A 69 GLN :FLIP amide:sc= -1.59 F(o=-3.9,f=-2.1) USER MOD Set 2.2: A 86 SER OG : rot 142:sc= -0.508 USER MOD Set 3.1: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 84 TYR OH : rot 58:sc= 0.069 USER MOD Single : A 21 MET CE :methyl 171:sc= -0.171 (180deg=-0.386) USER MOD Single : A 27 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 80:sc= 0.825 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.23 X(o=-0.23,f=-0.22) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.2) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 60 GLN : amide:sc= 0.583 K(o=0.58,f=-0.19) USER MOD Single : A 61 MET CE :methyl 159:sc= 0 (180deg=-0.616) USER MOD Single : A 64 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.5!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -133:sc= -0.104 (180deg=-0.543) USER MOD Single : A 74 SER OG : rot 74:sc= 1.04 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2!) USER MOD Single : A 97 THR OG1 : rot 177:sc= 1.8 USER MOD Single : A 105 ASN : amide:sc= -0.0571 K(o=-0.057,f=-1.8!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -161:sc= -0.103 (180deg=-0.59) USER MOD Single : A 109 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 111 SER OG : rot -101:sc= 0.00656 USER MOD Single : A 113 LYS NZ :NH3+ 154:sc= 1.51 (180deg=0.267) USER MOD Single : A 114 GLN : amide:sc= -3.33! C(o=-3.3!,f=-7.5!) USER MOD Single : A 115 ASN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -20:sc= 0.465 USER MOD Single : A 123 ASN : amide:sc= -0.0012 X(o=-0.0012,f=-0.4) USER MOD Single : A 124 SER OG : rot 160:sc= 0 USER MOD Single : A 127 SER OG : rot 79:sc= 0.697 USER MOD Single : A 131 THR OG1 : rot 63:sc= 1.25 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.429 13.571 -8.431 1.00 52.30 N ATOM 287 CA LEU A 20 -0.932 12.899 -7.221 1.00 30.45 C ATOM 288 C LEU A 20 0.549 12.515 -7.392 1.00 63.01 C ATOM 289 O LEU A 20 0.860 11.544 -8.087 1.00 42.25 O ATOM 290 CB LEU A 20 -1.786 11.622 -6.942 1.00 25.21 C ATOM 291 CG LEU A 20 -1.461 10.836 -5.632 1.00 64.05 C ATOM 292 CD1 LEU A 20 -1.725 11.701 -4.396 1.00 34.44 C ATOM 293 CD2 LEU A 20 -2.251 9.509 -5.563 1.00 75.43 C ATOM 0 HA LEU A 20 -1.018 13.582 -6.376 1.00 30.45 H new ATOM 0 HB2 LEU A 20 -2.836 11.914 -6.913 1.00 25.21 H new ATOM 0 HB3 LEU A 20 -1.668 10.942 -7.786 1.00 25.21 H new ATOM 0 HG LEU A 20 -0.400 10.587 -5.647 1.00 64.05 H new ATOM 0 HD11 LEU A 20 -1.491 11.131 -3.497 1.00 34.44 H new ATOM 0 HD12 LEU A 20 -1.098 12.592 -4.435 1.00 34.44 H new ATOM 0 HD13 LEU A 20 -2.774 11.996 -4.376 1.00 34.44 H new ATOM 0 HD21 LEU A 20 -2.003 8.985 -4.640 1.00 75.43 H new ATOM 0 HD22 LEU A 20 -3.320 9.720 -5.584 1.00 75.43 H new ATOM 0 HD23 LEU A 20 -1.988 8.884 -6.416 1.00 75.43 H new ATOM 305 N MET A 21 1.465 13.305 -6.799 1.00 44.12 N ATOM 306 CA MET A 21 2.893 12.951 -6.764 1.00 51.21 C ATOM 307 C MET A 21 3.248 12.509 -5.340 1.00 54.53 C ATOM 308 O MET A 21 3.484 13.347 -4.462 1.00 12.13 O ATOM 309 CB MET A 21 3.787 14.142 -7.214 1.00 34.31 C ATOM 310 CG MET A 21 5.293 13.816 -7.252 1.00 53.43 C ATOM 311 SD MET A 21 6.308 15.181 -7.857 1.00 15.42 S ATOM 312 CE MET A 21 6.080 16.418 -6.583 1.00 63.34 C ATOM 0 H MET A 21 1.241 14.188 -6.340 1.00 44.12 H new ATOM 0 HA MET A 21 3.079 12.136 -7.463 1.00 51.21 H new ATOM 0 HB2 MET A 21 3.471 14.466 -8.206 1.00 34.31 H new ATOM 0 HB3 MET A 21 3.624 14.981 -6.537 1.00 34.31 H new ATOM 0 HG2 MET A 21 5.624 13.544 -6.250 1.00 53.43 H new ATOM 0 HG3 MET A 21 5.453 12.945 -7.888 1.00 53.43 H new ATOM 0 HE1 MET A 21 6.772 17.243 -6.749 1.00 63.34 H new ATOM 0 HE2 MET A 21 5.056 16.791 -6.617 1.00 63.34 H new ATOM 0 HE3 MET A 21 6.273 15.974 -5.606 1.00 63.34 H new ATOM 322 N LEU A 22 3.254 11.182 -5.138 1.00 32.02 N ATOM 323 CA LEU A 22 3.612 10.544 -3.862 1.00 41.51 C ATOM 324 C LEU A 22 5.130 10.567 -3.678 1.00 10.41 C ATOM 325 O LEU A 22 5.875 10.102 -4.549 1.00 54.31 O ATOM 326 CB LEU A 22 3.100 9.076 -3.865 1.00 74.13 C ATOM 327 CG LEU A 22 1.565 8.907 -4.053 1.00 2.11 C ATOM 328 CD1 LEU A 22 1.196 7.453 -4.395 1.00 3.10 C ATOM 329 CD2 LEU A 22 0.806 9.397 -2.812 1.00 55.55 C ATOM 0 H LEU A 22 3.007 10.513 -5.867 1.00 32.02 H new ATOM 0 HA LEU A 22 3.150 11.089 -3.038 1.00 41.51 H new ATOM 0 HB2 LEU A 22 3.609 8.533 -4.661 1.00 74.13 H new ATOM 0 HB3 LEU A 22 3.388 8.606 -2.924 1.00 74.13 H new ATOM 0 HG LEU A 22 1.263 9.525 -4.898 1.00 2.11 H new ATOM 0 HD11 LEU A 22 0.116 7.371 -4.519 1.00 3.10 H new ATOM 0 HD12 LEU A 22 1.691 7.160 -5.321 1.00 3.10 H new ATOM 0 HD13 LEU A 22 1.519 6.796 -3.587 1.00 3.10 H new ATOM 0 HD21 LEU A 22 -0.265 9.269 -2.967 1.00 55.55 H new ATOM 0 HD22 LEU A 22 1.119 8.819 -1.942 1.00 55.55 H new ATOM 0 HD23 LEU A 22 1.025 10.452 -2.644 1.00 55.55 H new ATOM 409 N GLN A 27 10.221 8.652 7.131 1.00 33.04 N ATOM 410 CA GLN A 27 10.305 7.194 7.254 1.00 73.44 C ATOM 411 C GLN A 27 9.545 6.764 8.517 1.00 22.13 C ATOM 412 O GLN A 27 10.048 6.891 9.640 1.00 41.00 O ATOM 413 CB GLN A 27 11.790 6.704 7.241 1.00 63.33 C ATOM 414 CG GLN A 27 12.751 7.410 8.224 1.00 24.21 C ATOM 415 CD GLN A 27 14.189 6.867 8.204 1.00 65.42 C ATOM 416 OE1 GLN A 27 14.879 6.868 9.227 1.00 43.40 O ATOM 417 NE2 GLN A 27 14.670 6.433 7.043 1.00 24.12 N ATOM 0 HA GLN A 27 9.836 6.720 6.392 1.00 73.44 H new ATOM 0 HB2 GLN A 27 11.800 5.636 7.460 1.00 63.33 H new ATOM 0 HB3 GLN A 27 12.182 6.826 6.231 1.00 63.33 H new ATOM 0 HG2 GLN A 27 12.774 8.474 7.990 1.00 24.21 H new ATOM 0 HG3 GLN A 27 12.353 7.314 9.234 1.00 24.21 H new ATOM 0 HE21 GLN A 27 14.080 6.442 6.211 1.00 24.12 H new ATOM 0 HE22 GLN A 27 15.629 6.091 6.984 1.00 24.12 H new ATOM 426 N LEU A 28 8.298 6.310 8.316 1.00 3.04 N ATOM 427 CA LEU A 28 7.382 5.997 9.418 1.00 24.31 C ATOM 428 C LEU A 28 7.809 4.692 10.090 1.00 14.43 C ATOM 429 O LEU A 28 8.104 3.703 9.409 1.00 14.12 O ATOM 430 CB LEU A 28 5.915 5.902 8.909 1.00 32.13 C ATOM 431 CG LEU A 28 5.380 7.142 8.121 1.00 71.43 C ATOM 432 CD1 LEU A 28 3.879 6.982 7.802 1.00 33.24 C ATOM 433 CD2 LEU A 28 5.662 8.459 8.871 1.00 43.24 C ATOM 0 H LEU A 28 7.901 6.151 7.390 1.00 3.04 H new ATOM 0 HA LEU A 28 7.427 6.802 10.151 1.00 24.31 H new ATOM 0 HB2 LEU A 28 5.830 5.025 8.267 1.00 32.13 H new ATOM 0 HB3 LEU A 28 5.264 5.733 9.767 1.00 32.13 H new ATOM 0 HG LEU A 28 5.920 7.193 7.176 1.00 71.43 H new ATOM 0 HD11 LEU A 28 3.528 7.856 7.254 1.00 33.24 H new ATOM 0 HD12 LEU A 28 3.729 6.089 7.195 1.00 33.24 H new ATOM 0 HD13 LEU A 28 3.318 6.888 8.731 1.00 33.24 H new ATOM 0 HD21 LEU A 28 5.275 9.298 8.292 1.00 43.24 H new ATOM 0 HD22 LEU A 28 5.173 8.435 9.845 1.00 43.24 H new ATOM 0 HD23 LEU A 28 6.737 8.577 9.007 1.00 43.24 H new ATOM 445 N THR A 29 7.876 4.707 11.419 1.00 52.23 N ATOM 446 CA THR A 29 8.145 3.504 12.209 1.00 15.15 C ATOM 447 C THR A 29 6.892 2.612 12.215 1.00 11.22 C ATOM 448 O THR A 29 5.791 3.108 11.969 1.00 3.41 O ATOM 449 CB THR A 29 8.548 3.884 13.666 1.00 14.13 C ATOM 450 OG1 THR A 29 7.490 4.615 14.304 1.00 20.34 O ATOM 451 CG2 THR A 29 9.835 4.726 13.701 1.00 74.50 C ATOM 0 H THR A 29 7.746 5.550 11.979 1.00 52.23 H new ATOM 0 HA THR A 29 8.976 2.959 11.761 1.00 15.15 H new ATOM 0 HB THR A 29 8.730 2.952 14.202 1.00 14.13 H new ATOM 0 HG1 THR A 29 7.757 4.845 15.218 1.00 20.34 H new ATOM 0 HG21 THR A 29 10.082 4.970 14.734 1.00 74.50 H new ATOM 0 HG22 THR A 29 10.653 4.159 13.257 1.00 74.50 H new ATOM 0 HG23 THR A 29 9.683 5.646 13.137 1.00 74.50 H new ATOM 459 N ALA A 30 7.067 1.306 12.480 1.00 20.14 N ATOM 460 CA ALA A 30 5.944 0.353 12.604 1.00 10.33 C ATOM 461 C ALA A 30 4.976 0.783 13.721 1.00 52.43 C ATOM 462 O ALA A 30 3.771 0.578 13.612 1.00 1.40 O ATOM 463 CB ALA A 30 6.467 -1.072 12.851 1.00 21.24 C ATOM 0 H ALA A 30 7.984 0.880 12.614 1.00 20.14 H new ATOM 0 HA ALA A 30 5.392 0.356 11.664 1.00 10.33 H new ATOM 0 HB1 ALA A 30 5.625 -1.758 12.939 1.00 21.24 H new ATOM 0 HB2 ALA A 30 7.098 -1.378 12.017 1.00 21.24 H new ATOM 0 HB3 ALA A 30 7.049 -1.091 13.772 1.00 21.24 H new ATOM 469 N ASP A 31 5.531 1.396 14.787 1.00 63.23 N ATOM 470 CA ASP A 31 4.742 1.959 15.904 1.00 63.52 C ATOM 471 C ASP A 31 3.838 3.107 15.430 1.00 34.44 C ATOM 472 O ASP A 31 2.634 3.112 15.704 1.00 3.44 O ATOM 473 CB ASP A 31 5.666 2.486 17.029 1.00 0.53 C ATOM 474 CG ASP A 31 6.500 1.389 17.702 1.00 23.21 C ATOM 475 OD1 ASP A 31 7.510 0.964 17.118 1.00 11.21 O ATOM 476 OD2 ASP A 31 6.146 0.943 18.810 1.00 4.51 O ATOM 0 H ASP A 31 6.538 1.515 14.898 1.00 63.23 H new ATOM 0 HA ASP A 31 4.122 1.150 16.290 1.00 63.52 H new ATOM 0 HB2 ASP A 31 6.337 3.238 16.614 1.00 0.53 H new ATOM 0 HB3 ASP A 31 5.058 2.983 17.784 1.00 0.53 H new ATOM 481 N TYR A 32 4.440 4.068 14.695 1.00 23.32 N ATOM 482 CA TYR A 32 3.736 5.269 14.224 1.00 12.43 C ATOM 483 C TYR A 32 2.654 4.876 13.216 1.00 21.03 C ATOM 484 O TYR A 32 1.496 5.275 13.356 1.00 43.41 O ATOM 485 CB TYR A 32 4.725 6.274 13.570 1.00 20.45 C ATOM 486 CG TYR A 32 4.077 7.617 13.174 1.00 12.51 C ATOM 487 CD1 TYR A 32 4.008 8.669 14.088 1.00 13.30 C ATOM 488 CD2 TYR A 32 3.513 7.827 11.906 1.00 30.14 C ATOM 489 CE1 TYR A 32 3.409 9.868 13.764 1.00 5.23 C ATOM 490 CE2 TYR A 32 2.905 9.026 11.585 1.00 1.01 C ATOM 491 CZ TYR A 32 2.857 10.041 12.517 1.00 12.12 C ATOM 492 OH TYR A 32 2.229 11.232 12.196 1.00 11.31 O ATOM 0 H TYR A 32 5.420 4.029 14.416 1.00 23.32 H new ATOM 0 HA TYR A 32 3.274 5.753 15.084 1.00 12.43 H new ATOM 0 HB2 TYR A 32 5.544 6.467 14.263 1.00 20.45 H new ATOM 0 HB3 TYR A 32 5.160 5.815 12.682 1.00 20.45 H new ATOM 0 HD1 TYR A 32 4.434 8.541 15.072 1.00 13.30 H new ATOM 0 HD2 TYR A 32 3.555 7.039 11.169 1.00 30.14 H new ATOM 0 HE1 TYR A 32 3.374 10.669 14.488 1.00 5.23 H new ATOM 0 HE2 TYR A 32 2.469 9.167 10.607 1.00 1.01 H new ATOM 0 HH TYR A 32 1.895 11.188 11.276 1.00 11.31 H new ATOM 502 N PHE A 33 3.070 4.082 12.213 1.00 14.14 N ATOM 503 CA PHE A 33 2.218 3.658 11.098 1.00 13.41 C ATOM 504 C PHE A 33 0.997 2.877 11.603 1.00 2.31 C ATOM 505 O PHE A 33 -0.129 3.225 11.264 1.00 33.23 O ATOM 506 CB PHE A 33 3.037 2.792 10.099 1.00 11.12 C ATOM 507 CG PHE A 33 2.266 2.383 8.839 1.00 73.13 C ATOM 508 CD1 PHE A 33 1.410 1.275 8.837 1.00 62.12 C ATOM 509 CD2 PHE A 33 2.380 3.119 7.665 1.00 62.24 C ATOM 510 CE1 PHE A 33 0.697 0.930 7.710 1.00 74.23 C ATOM 511 CE2 PHE A 33 1.671 2.762 6.538 1.00 4.22 C ATOM 512 CZ PHE A 33 0.828 1.669 6.562 1.00 42.23 C ATOM 0 H PHE A 33 4.020 3.715 12.158 1.00 14.14 H new ATOM 0 HA PHE A 33 1.859 4.550 10.584 1.00 13.41 H new ATOM 0 HB2 PHE A 33 3.928 3.346 9.802 1.00 11.12 H new ATOM 0 HB3 PHE A 33 3.377 1.892 10.611 1.00 11.12 H new ATOM 0 HD1 PHE A 33 1.307 0.681 9.733 1.00 62.12 H new ATOM 0 HD2 PHE A 33 3.031 3.980 7.636 1.00 62.24 H new ATOM 0 HE1 PHE A 33 0.035 0.077 7.730 1.00 74.23 H new ATOM 0 HE2 PHE A 33 1.776 3.340 5.632 1.00 4.22 H new ATOM 0 HZ PHE A 33 0.272 1.396 5.677 1.00 42.23 H new ATOM 522 N GLU A 34 1.251 1.808 12.395 1.00 72.22 N ATOM 523 CA GLU A 34 0.191 0.916 12.907 1.00 45.45 C ATOM 524 C GLU A 34 -0.789 1.678 13.810 1.00 53.13 C ATOM 525 O GLU A 34 -1.991 1.445 13.743 1.00 60.23 O ATOM 526 CB GLU A 34 0.794 -0.282 13.679 1.00 1.25 C ATOM 527 CG GLU A 34 -0.252 -1.248 14.278 1.00 23.30 C ATOM 528 CD GLU A 34 0.375 -2.401 15.061 1.00 52.34 C ATOM 529 OE1 GLU A 34 0.688 -3.446 14.452 1.00 35.45 O ATOM 530 OE2 GLU A 34 0.575 -2.261 16.288 1.00 1.42 O ATOM 0 H GLU A 34 2.190 1.544 12.693 1.00 72.22 H new ATOM 0 HA GLU A 34 -0.356 0.536 12.044 1.00 45.45 H new ATOM 0 HB2 GLU A 34 1.444 -0.842 13.006 1.00 1.25 H new ATOM 0 HB3 GLU A 34 1.421 0.099 14.485 1.00 1.25 H new ATOM 0 HG2 GLU A 34 -0.918 -0.690 14.936 1.00 23.30 H new ATOM 0 HG3 GLU A 34 -0.865 -1.654 13.474 1.00 23.30 H new ATOM 537 N LYS A 35 -0.264 2.597 14.641 1.00 25.24 N ATOM 538 CA LYS A 35 -1.096 3.427 15.530 1.00 23.44 C ATOM 539 C LYS A 35 -2.036 4.320 14.700 1.00 3.13 C ATOM 540 O LYS A 35 -3.235 4.389 14.972 1.00 41.14 O ATOM 541 CB LYS A 35 -0.214 4.301 16.448 1.00 1.15 C ATOM 542 CG LYS A 35 -1.004 5.132 17.487 1.00 12.35 C ATOM 543 CD LYS A 35 -0.156 6.249 18.132 1.00 73.44 C ATOM 544 CE LYS A 35 0.336 7.275 17.098 1.00 33.44 C ATOM 545 NZ LYS A 35 1.106 8.374 17.733 1.00 23.23 N ATOM 0 H LYS A 35 0.736 2.783 14.715 1.00 25.24 H new ATOM 0 HA LYS A 35 -1.694 2.763 16.154 1.00 23.44 H new ATOM 0 HB2 LYS A 35 0.491 3.658 16.975 1.00 1.15 H new ATOM 0 HB3 LYS A 35 0.374 4.979 15.829 1.00 1.15 H new ATOM 0 HG2 LYS A 35 -1.874 5.576 17.004 1.00 12.35 H new ATOM 0 HG3 LYS A 35 -1.377 4.469 18.268 1.00 12.35 H new ATOM 0 HD2 LYS A 35 -0.747 6.758 18.893 1.00 73.44 H new ATOM 0 HD3 LYS A 35 0.702 5.806 18.638 1.00 73.44 H new ATOM 0 HE2 LYS A 35 0.961 6.774 16.358 1.00 33.44 H new ATOM 0 HE3 LYS A 35 -0.518 7.691 16.564 1.00 33.44 H new ATOM 0 HZ1 LYS A 35 1.420 9.045 17.003 1.00 23.23 H new ATOM 0 HZ2 LYS A 35 0.503 8.868 18.421 1.00 23.23 H new ATOM 0 HZ3 LYS A 35 1.936 7.980 18.221 1.00 23.23 H new ATOM 559 N THR A 36 -1.460 4.969 13.672 1.00 5.44 N ATOM 560 CA THR A 36 -2.195 5.827 12.725 1.00 53.15 C ATOM 561 C THR A 36 -3.211 4.988 11.903 1.00 31.11 C ATOM 562 O THR A 36 -4.326 5.435 11.631 1.00 73.41 O ATOM 563 CB THR A 36 -1.186 6.572 11.781 1.00 31.43 C ATOM 564 OG1 THR A 36 -0.279 7.364 12.577 1.00 71.34 O ATOM 565 CG2 THR A 36 -1.875 7.490 10.756 1.00 11.11 C ATOM 0 H THR A 36 -0.461 4.912 13.473 1.00 5.44 H new ATOM 0 HA THR A 36 -2.756 6.573 13.287 1.00 53.15 H new ATOM 0 HB THR A 36 -0.655 5.802 11.222 1.00 31.43 H new ATOM 0 HG1 THR A 36 0.425 6.788 12.942 1.00 71.34 H new ATOM 0 HG21 THR A 36 -1.120 7.974 10.136 1.00 11.11 H new ATOM 0 HG22 THR A 36 -2.538 6.898 10.125 1.00 11.11 H new ATOM 0 HG23 THR A 36 -2.455 8.249 11.280 1.00 11.11 H new ATOM 573 N TRP A 37 -2.822 3.739 11.586 1.00 65.14 N ATOM 574 CA TRP A 37 -3.642 2.778 10.828 1.00 1.25 C ATOM 575 C TRP A 37 -4.905 2.415 11.630 1.00 51.32 C ATOM 576 O TRP A 37 -6.018 2.455 11.105 1.00 24.21 O ATOM 577 CB TRP A 37 -2.781 1.514 10.521 1.00 71.52 C ATOM 578 CG TRP A 37 -3.495 0.423 9.761 1.00 53.35 C ATOM 579 CD1 TRP A 37 -4.113 -0.686 10.281 1.00 31.24 C ATOM 580 CD2 TRP A 37 -3.669 0.343 8.340 1.00 24.45 C ATOM 581 NE1 TRP A 37 -4.670 -1.427 9.272 1.00 44.02 N ATOM 582 CE2 TRP A 37 -4.402 -0.827 8.074 1.00 14.54 C ATOM 583 CE3 TRP A 37 -3.276 1.149 7.271 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -4.756 -1.207 6.785 1.00 74.25 C ATOM 585 CZ3 TRP A 37 -3.626 0.772 5.993 1.00 12.12 C ATOM 586 CH2 TRP A 37 -4.357 -0.399 5.759 1.00 11.01 C ATOM 0 H TRP A 37 -1.912 3.364 11.855 1.00 65.14 H new ATOM 0 HA TRP A 37 -3.966 3.220 9.886 1.00 1.25 H new ATOM 0 HB2 TRP A 37 -1.905 1.820 9.949 1.00 71.52 H new ATOM 0 HB3 TRP A 37 -2.419 1.102 11.463 1.00 71.52 H new ATOM 0 HD1 TRP A 37 -4.154 -0.938 11.330 1.00 31.24 H new ATOM 0 HE1 TRP A 37 -5.200 -2.289 9.396 1.00 44.02 H new ATOM 0 HE3 TRP A 37 -2.708 2.052 7.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.325 -2.107 6.602 1.00 74.25 H new ATOM 0 HZ3 TRP A 37 -3.332 1.390 5.158 1.00 12.12 H new ATOM 0 HH2 TRP A 37 -4.611 -0.669 4.745 1.00 11.01 H new ATOM 597 N LEU A 38 -4.706 2.084 12.920 1.00 34.30 N ATOM 598 CA LEU A 38 -5.794 1.743 13.854 1.00 25.33 C ATOM 599 C LEU A 38 -6.621 2.994 14.217 1.00 53.00 C ATOM 600 O LEU A 38 -7.784 2.885 14.626 1.00 60.14 O ATOM 601 CB LEU A 38 -5.215 1.076 15.135 1.00 3.14 C ATOM 602 CG LEU A 38 -4.414 -0.252 14.910 1.00 73.44 C ATOM 603 CD1 LEU A 38 -3.832 -0.795 16.230 1.00 72.24 C ATOM 604 CD2 LEU A 38 -5.270 -1.320 14.197 1.00 1.02 C ATOM 0 H LEU A 38 -3.780 2.046 13.345 1.00 34.30 H new ATOM 0 HA LEU A 38 -6.459 1.033 13.362 1.00 25.33 H new ATOM 0 HB2 LEU A 38 -4.561 1.793 15.631 1.00 3.14 H new ATOM 0 HB3 LEU A 38 -6.039 0.870 15.818 1.00 3.14 H new ATOM 0 HG LEU A 38 -3.576 -0.012 14.255 1.00 73.44 H new ATOM 0 HD11 LEU A 38 -3.284 -1.716 16.034 1.00 72.24 H new ATOM 0 HD12 LEU A 38 -3.157 -0.056 16.661 1.00 72.24 H new ATOM 0 HD13 LEU A 38 -4.643 -0.997 16.929 1.00 72.24 H new ATOM 0 HD21 LEU A 38 -4.680 -2.226 14.059 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -6.147 -1.547 14.803 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -5.588 -0.942 13.225 1.00 1.02 H new ATOM 616 N SER A 39 -5.999 4.178 14.072 1.00 44.43 N ATOM 617 CA SER A 39 -6.654 5.479 14.308 1.00 52.45 C ATOM 618 C SER A 39 -7.540 5.892 13.116 1.00 12.35 C ATOM 619 O SER A 39 -8.456 6.698 13.286 1.00 30.03 O ATOM 620 CB SER A 39 -5.583 6.564 14.585 1.00 64.02 C ATOM 621 OG SER A 39 -6.158 7.810 14.948 1.00 24.41 O ATOM 0 H SER A 39 -5.023 4.260 13.786 1.00 44.43 H new ATOM 0 HA SER A 39 -7.301 5.379 15.179 1.00 52.45 H new ATOM 0 HB2 SER A 39 -4.924 6.225 15.384 1.00 64.02 H new ATOM 0 HB3 SER A 39 -4.966 6.697 13.697 1.00 64.02 H new ATOM 0 HG SER A 39 -5.446 8.463 15.115 1.00 24.41 H new ATOM 627 N LEU A 40 -7.278 5.331 11.919 1.00 63.43 N ATOM 628 CA LEU A 40 -8.017 5.687 10.690 1.00 31.41 C ATOM 629 C LEU A 40 -8.961 4.554 10.269 1.00 43.54 C ATOM 630 O LEU A 40 -8.773 3.392 10.649 1.00 42.13 O ATOM 631 CB LEU A 40 -7.024 6.007 9.542 1.00 54.02 C ATOM 632 CG LEU A 40 -6.102 7.245 9.764 1.00 12.45 C ATOM 633 CD1 LEU A 40 -5.115 7.392 8.605 1.00 73.21 C ATOM 634 CD2 LEU A 40 -6.919 8.541 9.970 1.00 34.15 C ATOM 0 H LEU A 40 -6.556 4.625 11.776 1.00 63.43 H new ATOM 0 HA LEU A 40 -8.618 6.572 10.899 1.00 31.41 H new ATOM 0 HB2 LEU A 40 -6.393 5.133 9.379 1.00 54.02 H new ATOM 0 HB3 LEU A 40 -7.595 6.163 8.627 1.00 54.02 H new ATOM 0 HG LEU A 40 -5.535 7.077 10.680 1.00 12.45 H new ATOM 0 HD11 LEU A 40 -4.479 8.261 8.776 1.00 73.21 H new ATOM 0 HD12 LEU A 40 -4.496 6.497 8.538 1.00 73.21 H new ATOM 0 HD13 LEU A 40 -5.665 7.523 7.673 1.00 73.21 H new ATOM 0 HD21 LEU A 40 -6.239 9.380 10.121 1.00 34.15 H new ATOM 0 HD22 LEU A 40 -7.534 8.727 9.090 1.00 34.15 H new ATOM 0 HD23 LEU A 40 -7.560 8.432 10.845 1.00 34.15 H new ATOM 646 N LYS A 41 -9.952 4.912 9.444 1.00 43.52 N ATOM 647 CA LYS A 41 -10.964 3.985 8.914 1.00 62.52 C ATOM 648 C LYS A 41 -10.564 3.574 7.490 1.00 13.55 C ATOM 649 O LYS A 41 -9.911 4.358 6.784 1.00 21.22 O ATOM 650 CB LYS A 41 -12.352 4.685 8.909 1.00 60.40 C ATOM 651 CG LYS A 41 -12.886 5.059 10.313 1.00 60.35 C ATOM 652 CD LYS A 41 -13.246 3.831 11.184 1.00 4.13 C ATOM 653 CE LYS A 41 -14.386 2.992 10.575 1.00 34.35 C ATOM 654 NZ LYS A 41 -14.698 1.785 11.391 1.00 32.25 N ATOM 0 H LYS A 41 -10.077 5.871 9.119 1.00 43.52 H new ATOM 0 HA LYS A 41 -11.025 3.094 9.539 1.00 62.52 H new ATOM 0 HB2 LYS A 41 -12.286 5.591 8.306 1.00 60.40 H new ATOM 0 HB3 LYS A 41 -13.074 4.029 8.422 1.00 60.40 H new ATOM 0 HG2 LYS A 41 -12.135 5.655 10.832 1.00 60.35 H new ATOM 0 HG3 LYS A 41 -13.770 5.687 10.201 1.00 60.35 H new ATOM 0 HD2 LYS A 41 -12.363 3.204 11.306 1.00 4.13 H new ATOM 0 HD3 LYS A 41 -13.538 4.168 12.179 1.00 4.13 H new ATOM 0 HE2 LYS A 41 -15.280 3.609 10.486 1.00 34.35 H new ATOM 0 HE3 LYS A 41 -14.109 2.684 9.567 1.00 34.35 H new ATOM 0 HZ1 LYS A 41 -15.470 1.253 10.942 1.00 32.25 H new ATOM 0 HZ2 LYS A 41 -13.853 1.182 11.455 1.00 32.25 H new ATOM 0 HZ3 LYS A 41 -14.988 2.077 12.346 1.00 32.25 H new ATOM 668 N VAL A 42 -10.948 2.348 7.080 1.00 2.51 N ATOM 669 CA VAL A 42 -10.665 1.836 5.726 1.00 11.24 C ATOM 670 C VAL A 42 -11.384 2.710 4.682 1.00 1.51 C ATOM 671 O VAL A 42 -12.616 2.716 4.615 1.00 5.22 O ATOM 672 CB VAL A 42 -11.103 0.329 5.556 1.00 1.22 C ATOM 673 CG1 VAL A 42 -10.784 -0.201 4.138 1.00 1.20 C ATOM 674 CG2 VAL A 42 -10.446 -0.566 6.632 1.00 44.14 C ATOM 0 H VAL A 42 -11.458 1.692 7.672 1.00 2.51 H new ATOM 0 HA VAL A 42 -9.587 1.882 5.574 1.00 11.24 H new ATOM 0 HB VAL A 42 -12.184 0.289 5.690 1.00 1.22 H new ATOM 0 HG11 VAL A 42 -11.100 -1.241 4.059 1.00 1.20 H new ATOM 0 HG12 VAL A 42 -11.316 0.397 3.398 1.00 1.20 H new ATOM 0 HG13 VAL A 42 -9.711 -0.133 3.957 1.00 1.20 H new ATOM 0 HG21 VAL A 42 -10.765 -1.599 6.491 1.00 44.14 H new ATOM 0 HG22 VAL A 42 -9.361 -0.506 6.542 1.00 44.14 H new ATOM 0 HG23 VAL A 42 -10.748 -0.225 7.622 1.00 44.14 H new ATOM 684 N ALA A 43 -10.602 3.431 3.866 1.00 33.03 N ATOM 685 CA ALA A 43 -11.141 4.400 2.893 1.00 2.33 C ATOM 686 C ALA A 43 -11.556 3.662 1.611 1.00 61.12 C ATOM 687 O ALA A 43 -12.537 4.034 0.952 1.00 1.21 O ATOM 688 CB ALA A 43 -10.101 5.492 2.607 1.00 23.03 C ATOM 0 H ALA A 43 -9.584 3.362 3.859 1.00 33.03 H new ATOM 0 HA ALA A 43 -12.025 4.887 3.306 1.00 2.33 H new ATOM 0 HB1 ALA A 43 -10.508 6.203 1.888 1.00 23.03 H new ATOM 0 HB2 ALA A 43 -9.856 6.013 3.533 1.00 23.03 H new ATOM 0 HB3 ALA A 43 -9.199 5.037 2.197 1.00 23.03 H new ATOM 694 N HIS A 44 -10.786 2.610 1.273 1.00 61.21 N ATOM 695 CA HIS A 44 -11.142 1.652 0.213 1.00 21.32 C ATOM 696 C HIS A 44 -10.444 0.303 0.464 1.00 22.45 C ATOM 697 O HIS A 44 -9.405 0.245 1.127 1.00 72.10 O ATOM 698 CB HIS A 44 -10.743 2.217 -1.179 1.00 1.34 C ATOM 699 CG HIS A 44 -11.224 1.401 -2.359 1.00 34.43 C ATOM 700 ND1 HIS A 44 -12.485 1.568 -2.871 1.00 62.51 N ATOM 701 CD2 HIS A 44 -10.592 0.428 -3.073 1.00 22.01 C ATOM 702 CE1 HIS A 44 -12.593 0.710 -3.864 1.00 55.42 C ATOM 703 NE2 HIS A 44 -11.472 -0.003 -4.027 1.00 62.25 N ATOM 0 H HIS A 44 -9.898 2.402 1.729 1.00 61.21 H new ATOM 0 HA HIS A 44 -12.221 1.496 0.227 1.00 21.32 H new ATOM 0 HB2 HIS A 44 -11.137 3.229 -1.271 1.00 1.34 H new ATOM 0 HB3 HIS A 44 -9.657 2.292 -1.227 1.00 1.34 H new ATOM 0 HD1 HIS A 44 -13.196 2.224 -2.548 1.00 62.51 H new ATOM 0 HD2 HIS A 44 -9.587 0.066 -2.916 1.00 22.01 H new ATOM 0 HE1 HIS A 44 -13.478 0.596 -4.473 1.00 55.42 H new ATOM 711 N GLN A 45 -11.036 -0.776 -0.084 1.00 75.45 N ATOM 712 CA GLN A 45 -10.406 -2.099 -0.141 1.00 51.33 C ATOM 713 C GLN A 45 -10.807 -2.787 -1.454 1.00 2.24 C ATOM 714 O GLN A 45 -11.988 -2.818 -1.818 1.00 35.35 O ATOM 715 CB GLN A 45 -10.744 -2.985 1.085 1.00 41.24 C ATOM 716 CG GLN A 45 -10.043 -4.366 1.074 1.00 5.04 C ATOM 717 CD GLN A 45 -10.252 -5.168 2.356 1.00 10.24 C ATOM 718 OE1 GLN A 45 -9.320 -5.051 3.290 1.00 14.10 O flip ATOM 719 NE2 GLN A 45 -11.231 -5.905 2.494 1.00 70.24 N flip ATOM 0 H GLN A 45 -11.967 -0.749 -0.499 1.00 75.45 H new ATOM 0 HA GLN A 45 -9.325 -1.959 -0.111 1.00 51.33 H new ATOM 0 HB2 GLN A 45 -10.463 -2.453 1.994 1.00 41.24 H new ATOM 0 HB3 GLN A 45 -11.823 -3.136 1.125 1.00 41.24 H new ATOM 0 HG2 GLN A 45 -10.414 -4.945 0.228 1.00 5.04 H new ATOM 0 HG3 GLN A 45 -8.974 -4.220 0.917 1.00 5.04 H new ATOM 0 HE21 GLN A 45 -11.929 -5.970 1.753 1.00 70.24 H new ATOM 0 HE22 GLN A 45 -11.343 -6.450 3.349 1.00 70.24 H new ATOM 728 N GLN A 46 -9.800 -3.308 -2.162 1.00 61.54 N ATOM 729 CA GLN A 46 -9.959 -3.946 -3.475 1.00 41.34 C ATOM 730 C GLN A 46 -9.345 -5.354 -3.424 1.00 43.21 C ATOM 731 O GLN A 46 -8.212 -5.508 -2.997 1.00 60.11 O ATOM 732 CB GLN A 46 -9.248 -3.071 -4.550 1.00 72.22 C ATOM 733 CG GLN A 46 -9.277 -3.639 -5.983 1.00 54.30 C ATOM 734 CD GLN A 46 -10.691 -3.916 -6.488 1.00 10.42 C ATOM 735 OE1 GLN A 46 -11.222 -5.016 -6.328 1.00 74.33 O ATOM 736 NE2 GLN A 46 -11.321 -2.919 -7.086 1.00 5.34 N ATOM 0 H GLN A 46 -8.834 -3.299 -1.834 1.00 61.54 H new ATOM 0 HA GLN A 46 -11.014 -4.034 -3.735 1.00 41.34 H new ATOM 0 HB2 GLN A 46 -9.712 -2.085 -4.558 1.00 72.22 H new ATOM 0 HB3 GLN A 46 -8.209 -2.932 -4.253 1.00 72.22 H new ATOM 0 HG2 GLN A 46 -8.788 -2.935 -6.657 1.00 54.30 H new ATOM 0 HG3 GLN A 46 -8.699 -4.563 -6.013 1.00 54.30 H new ATOM 0 HE21 GLN A 46 -10.855 -2.019 -7.204 1.00 5.34 H new ATOM 0 HE22 GLN A 46 -12.273 -3.050 -7.429 1.00 5.34 H new ATOM 745 N VAL A 47 -10.100 -6.376 -3.847 1.00 42.01 N ATOM 746 CA VAL A 47 -9.605 -7.769 -3.892 1.00 30.03 C ATOM 747 C VAL A 47 -9.393 -8.171 -5.360 1.00 32.14 C ATOM 748 O VAL A 47 -10.312 -8.049 -6.179 1.00 5.14 O ATOM 749 CB VAL A 47 -10.601 -8.770 -3.189 1.00 21.14 C ATOM 750 CG1 VAL A 47 -10.014 -10.201 -3.120 1.00 52.13 C ATOM 751 CG2 VAL A 47 -10.997 -8.259 -1.784 1.00 62.22 C ATOM 0 H VAL A 47 -11.063 -6.269 -4.166 1.00 42.01 H new ATOM 0 HA VAL A 47 -8.663 -7.821 -3.347 1.00 30.03 H new ATOM 0 HB VAL A 47 -11.505 -8.819 -3.797 1.00 21.14 H new ATOM 0 HG11 VAL A 47 -10.727 -10.864 -2.630 1.00 52.13 H new ATOM 0 HG12 VAL A 47 -9.817 -10.563 -4.129 1.00 52.13 H new ATOM 0 HG13 VAL A 47 -9.084 -10.186 -2.552 1.00 52.13 H new ATOM 0 HG21 VAL A 47 -11.684 -8.966 -1.320 1.00 62.22 H new ATOM 0 HG22 VAL A 47 -10.104 -8.163 -1.167 1.00 62.22 H new ATOM 0 HG23 VAL A 47 -11.483 -7.287 -1.874 1.00 62.22 H new ATOM 761 N LEU A 48 -8.180 -8.642 -5.683 1.00 12.14 N ATOM 762 CA LEU A 48 -7.785 -9.012 -7.053 1.00 32.41 C ATOM 763 C LEU A 48 -7.175 -10.425 -7.041 1.00 64.14 C ATOM 764 O LEU A 48 -6.217 -10.660 -6.307 1.00 22.32 O ATOM 765 CB LEU A 48 -6.755 -7.999 -7.622 1.00 14.10 C ATOM 766 CG LEU A 48 -7.272 -6.553 -7.873 1.00 1.14 C ATOM 767 CD1 LEU A 48 -6.139 -5.658 -8.392 1.00 14.44 C ATOM 768 CD2 LEU A 48 -8.470 -6.547 -8.847 1.00 52.10 C ATOM 0 H LEU A 48 -7.438 -8.779 -4.996 1.00 12.14 H new ATOM 0 HA LEU A 48 -8.669 -8.996 -7.691 1.00 32.41 H new ATOM 0 HB2 LEU A 48 -5.912 -7.946 -6.933 1.00 14.10 H new ATOM 0 HB3 LEU A 48 -6.373 -8.393 -8.564 1.00 14.10 H new ATOM 0 HG LEU A 48 -7.619 -6.150 -6.922 1.00 1.14 H new ATOM 0 HD11 LEU A 48 -6.520 -4.651 -8.562 1.00 14.44 H new ATOM 0 HD12 LEU A 48 -5.336 -5.623 -7.655 1.00 14.44 H new ATOM 0 HD13 LEU A 48 -5.755 -6.063 -9.328 1.00 14.44 H new ATOM 0 HD21 LEU A 48 -8.808 -5.522 -9.002 1.00 52.10 H new ATOM 0 HD22 LEU A 48 -8.165 -6.977 -9.801 1.00 52.10 H new ATOM 0 HD23 LEU A 48 -9.284 -7.138 -8.427 1.00 52.10 H new ATOM 780 N PRO A 49 -7.698 -11.377 -7.866 1.00 53.11 N ATOM 781 CA PRO A 49 -7.163 -12.752 -7.917 1.00 64.14 C ATOM 782 C PRO A 49 -5.792 -12.778 -8.627 1.00 4.42 C ATOM 783 O PRO A 49 -5.725 -12.695 -9.852 1.00 1.13 O ATOM 784 CB PRO A 49 -8.263 -13.520 -8.699 1.00 24.51 C ATOM 785 CG PRO A 49 -8.893 -12.487 -9.595 1.00 73.34 C ATOM 786 CD PRO A 49 -8.814 -11.174 -8.835 1.00 40.22 C ATOM 0 HA PRO A 49 -6.970 -13.194 -6.939 1.00 64.14 H new ATOM 0 HB2 PRO A 49 -7.837 -14.339 -9.279 1.00 24.51 H new ATOM 0 HB3 PRO A 49 -8.997 -13.957 -8.022 1.00 24.51 H new ATOM 0 HG2 PRO A 49 -8.365 -12.420 -10.546 1.00 73.34 H new ATOM 0 HG3 PRO A 49 -9.927 -12.745 -9.822 1.00 73.34 H new ATOM 0 HD2 PRO A 49 -8.612 -10.338 -9.505 1.00 40.22 H new ATOM 0 HD3 PRO A 49 -9.751 -10.954 -8.323 1.00 40.22 H new ATOM 794 N TRP A 50 -4.700 -12.840 -7.838 1.00 12.03 N ATOM 795 CA TRP A 50 -3.323 -12.785 -8.374 1.00 72.24 C ATOM 796 C TRP A 50 -3.076 -13.973 -9.330 1.00 65.54 C ATOM 797 O TRP A 50 -3.167 -15.128 -8.913 1.00 53.01 O ATOM 798 CB TRP A 50 -2.280 -12.775 -7.216 1.00 54.21 C ATOM 799 CG TRP A 50 -0.849 -12.559 -7.692 1.00 52.40 C ATOM 800 CD1 TRP A 50 -0.014 -13.486 -8.260 1.00 5.11 C ATOM 801 CD2 TRP A 50 -0.090 -11.335 -7.645 1.00 43.02 C ATOM 802 NE1 TRP A 50 1.174 -12.903 -8.601 1.00 25.33 N ATOM 803 CE2 TRP A 50 1.163 -11.598 -8.223 1.00 53.10 C ATOM 804 CE3 TRP A 50 -0.348 -10.045 -7.180 1.00 4.33 C ATOM 805 CZ2 TRP A 50 2.150 -10.629 -8.348 1.00 13.12 C ATOM 806 CZ3 TRP A 50 0.639 -9.076 -7.300 1.00 63.30 C ATOM 807 CH2 TRP A 50 1.874 -9.375 -7.882 1.00 42.22 C ATOM 0 H TRP A 50 -4.745 -12.929 -6.823 1.00 12.03 H new ATOM 0 HA TRP A 50 -3.205 -11.859 -8.937 1.00 72.24 H new ATOM 0 HB2 TRP A 50 -2.542 -11.989 -6.508 1.00 54.21 H new ATOM 0 HB3 TRP A 50 -2.337 -13.721 -6.678 1.00 54.21 H new ATOM 0 HD1 TRP A 50 -0.259 -14.526 -8.415 1.00 5.11 H new ATOM 0 HE1 TRP A 50 1.949 -13.375 -9.067 1.00 25.33 H new ATOM 0 HE3 TRP A 50 -1.301 -9.804 -6.733 1.00 4.33 H new ATOM 0 HZ2 TRP A 50 3.104 -10.859 -8.799 1.00 13.12 H new ATOM 0 HZ3 TRP A 50 0.450 -8.076 -6.938 1.00 63.30 H new ATOM 0 HH2 TRP A 50 2.623 -8.601 -7.965 1.00 42.22 H new ATOM 864 N PHE A 54 3.306 -15.339 -7.345 1.00 13.32 N ATOM 865 CA PHE A 54 3.563 -14.104 -6.612 1.00 43.42 C ATOM 866 C PHE A 54 5.063 -13.782 -6.594 1.00 25.22 C ATOM 867 O PHE A 54 5.902 -14.670 -6.418 1.00 21.33 O ATOM 868 CB PHE A 54 2.998 -14.190 -5.177 1.00 34.01 C ATOM 869 CG PHE A 54 3.189 -12.909 -4.369 1.00 2.25 C ATOM 870 CD1 PHE A 54 2.716 -11.687 -4.858 1.00 5.10 C ATOM 871 CD2 PHE A 54 3.867 -12.914 -3.154 1.00 72.34 C ATOM 872 CE1 PHE A 54 2.898 -10.521 -4.151 1.00 0.33 C ATOM 873 CE2 PHE A 54 4.048 -11.744 -2.455 1.00 3.21 C ATOM 874 CZ PHE A 54 3.573 -10.547 -2.957 1.00 5.14 C ATOM 0 HA PHE A 54 3.051 -13.291 -7.127 1.00 43.42 H new ATOM 0 HB2 PHE A 54 1.934 -14.423 -5.227 1.00 34.01 H new ATOM 0 HB3 PHE A 54 3.481 -15.015 -4.654 1.00 34.01 H new ATOM 0 HD1 PHE A 54 2.199 -11.658 -5.806 1.00 5.10 H new ATOM 0 HD2 PHE A 54 4.253 -13.842 -2.758 1.00 72.34 H new ATOM 0 HE1 PHE A 54 2.511 -9.589 -4.535 1.00 0.33 H new ATOM 0 HE2 PHE A 54 4.565 -11.760 -1.507 1.00 3.21 H new ATOM 0 HZ PHE A 54 3.734 -9.631 -2.408 1.00 5.14 H new ATOM 884 N HIS A 55 5.379 -12.492 -6.785 1.00 21.11 N ATOM 885 CA HIS A 55 6.752 -11.976 -6.788 1.00 32.12 C ATOM 886 C HIS A 55 6.853 -10.770 -5.818 1.00 35.31 C ATOM 887 O HIS A 55 6.540 -9.642 -6.213 1.00 52.05 O ATOM 888 CB HIS A 55 7.170 -11.575 -8.229 1.00 44.13 C ATOM 889 CG HIS A 55 7.375 -12.725 -9.191 1.00 0.52 C ATOM 890 ND1 HIS A 55 8.623 -13.223 -9.505 1.00 53.41 N ATOM 891 CD2 HIS A 55 6.499 -13.448 -9.933 1.00 12.33 C ATOM 892 CE1 HIS A 55 8.500 -14.191 -10.390 1.00 25.42 C ATOM 893 NE2 HIS A 55 7.226 -14.347 -10.668 1.00 31.14 N ATOM 0 H HIS A 55 4.676 -11.770 -6.944 1.00 21.11 H new ATOM 0 HA HIS A 55 7.436 -12.753 -6.447 1.00 32.12 H new ATOM 0 HB2 HIS A 55 6.407 -10.913 -8.639 1.00 44.13 H new ATOM 0 HB3 HIS A 55 8.095 -11.001 -8.174 1.00 44.13 H new ATOM 0 HD2 HIS A 55 5.425 -13.335 -9.943 1.00 12.33 H new ATOM 0 HE1 HIS A 55 9.312 -14.762 -10.816 1.00 25.42 H new ATOM 0 HE2 HIS A 55 6.841 -15.026 -11.324 1.00 31.14 H new ATOM 902 N PRO A 56 7.249 -11.001 -4.522 1.00 61.02 N ATOM 903 CA PRO A 56 7.369 -9.920 -3.505 1.00 33.40 C ATOM 904 C PRO A 56 8.611 -9.038 -3.708 1.00 11.40 C ATOM 905 O PRO A 56 8.588 -7.856 -3.359 1.00 5.14 O ATOM 906 CB PRO A 56 7.439 -10.695 -2.175 1.00 54.40 C ATOM 907 CG PRO A 56 8.074 -12.004 -2.536 1.00 73.53 C ATOM 908 CD PRO A 56 7.588 -12.328 -3.937 1.00 70.53 C ATOM 0 HA PRO A 56 6.538 -9.216 -3.557 1.00 33.40 H new ATOM 0 HB2 PRO A 56 8.031 -10.158 -1.433 1.00 54.40 H new ATOM 0 HB3 PRO A 56 6.447 -10.840 -1.747 1.00 54.40 H new ATOM 0 HG2 PRO A 56 9.161 -11.932 -2.506 1.00 73.53 H new ATOM 0 HG3 PRO A 56 7.787 -12.785 -1.832 1.00 73.53 H new ATOM 0 HD2 PRO A 56 8.358 -12.835 -4.519 1.00 70.53 H new ATOM 0 HD3 PRO A 56 6.720 -12.987 -3.915 1.00 70.53 H new ATOM 916 N ASP A 57 9.695 -9.640 -4.232 1.00 32.02 N ATOM 917 CA ASP A 57 10.935 -8.911 -4.578 1.00 11.24 C ATOM 918 C ASP A 57 10.647 -7.918 -5.704 1.00 33.02 C ATOM 919 O ASP A 57 10.982 -6.744 -5.608 1.00 12.11 O ATOM 920 CB ASP A 57 12.067 -9.872 -5.035 1.00 2.03 C ATOM 921 CG ASP A 57 12.360 -11.002 -4.048 1.00 51.43 C ATOM 922 OD1 ASP A 57 11.505 -11.908 -3.909 1.00 4.15 O ATOM 923 OD2 ASP A 57 13.437 -11.007 -3.411 1.00 11.20 O ATOM 0 H ASP A 57 9.739 -10.640 -4.428 1.00 32.02 H new ATOM 0 HA ASP A 57 11.271 -8.391 -3.681 1.00 11.24 H new ATOM 0 HB2 ASP A 57 11.795 -10.306 -5.997 1.00 2.03 H new ATOM 0 HB3 ASP A 57 12.978 -9.295 -5.192 1.00 2.03 H new ATOM 928 N THR A 58 9.964 -8.428 -6.748 1.00 33.24 N ATOM 929 CA THR A 58 9.582 -7.645 -7.931 1.00 44.15 C ATOM 930 C THR A 58 8.590 -6.534 -7.521 1.00 13.14 C ATOM 931 O THR A 58 8.643 -5.416 -8.041 1.00 3.53 O ATOM 932 CB THR A 58 8.945 -8.578 -9.016 1.00 44.52 C ATOM 933 OG1 THR A 58 9.808 -9.703 -9.259 1.00 41.44 O ATOM 934 CG2 THR A 58 8.678 -7.863 -10.349 1.00 2.42 C ATOM 0 H THR A 58 9.662 -9.401 -6.790 1.00 33.24 H new ATOM 0 HA THR A 58 10.472 -7.183 -8.358 1.00 44.15 H new ATOM 0 HB THR A 58 7.983 -8.901 -8.618 1.00 44.52 H new ATOM 0 HG1 THR A 58 9.405 -10.284 -9.937 1.00 41.44 H new ATOM 0 HG21 THR A 58 8.237 -8.565 -11.056 1.00 2.42 H new ATOM 0 HG22 THR A 58 7.991 -7.033 -10.185 1.00 2.42 H new ATOM 0 HG23 THR A 58 9.617 -7.483 -10.752 1.00 2.42 H new ATOM 942 N LEU A 59 7.722 -6.873 -6.539 1.00 11.44 N ATOM 943 CA LEU A 59 6.759 -5.939 -5.940 1.00 60.44 C ATOM 944 C LEU A 59 7.483 -4.807 -5.204 1.00 53.34 C ATOM 945 O LEU A 59 7.247 -3.642 -5.497 1.00 31.12 O ATOM 946 CB LEU A 59 5.795 -6.704 -4.992 1.00 55.25 C ATOM 947 CG LEU A 59 4.673 -5.874 -4.288 1.00 11.11 C ATOM 948 CD1 LEU A 59 3.783 -5.115 -5.293 1.00 11.10 C ATOM 949 CD2 LEU A 59 3.819 -6.786 -3.396 1.00 32.25 C ATOM 0 H LEU A 59 7.676 -7.811 -6.142 1.00 11.44 H new ATOM 0 HA LEU A 59 6.168 -5.485 -6.736 1.00 60.44 H new ATOM 0 HB2 LEU A 59 5.317 -7.498 -5.566 1.00 55.25 H new ATOM 0 HB3 LEU A 59 6.394 -7.185 -4.219 1.00 55.25 H new ATOM 0 HG LEU A 59 5.166 -5.123 -3.670 1.00 11.11 H new ATOM 0 HD11 LEU A 59 3.020 -4.555 -4.753 1.00 11.10 H new ATOM 0 HD12 LEU A 59 4.396 -4.426 -5.874 1.00 11.10 H new ATOM 0 HD13 LEU A 59 3.303 -5.827 -5.964 1.00 11.10 H new ATOM 0 HD21 LEU A 59 3.041 -6.196 -2.911 1.00 32.25 H new ATOM 0 HD22 LEU A 59 3.358 -7.563 -4.006 1.00 32.25 H new ATOM 0 HD23 LEU A 59 4.451 -7.247 -2.637 1.00 32.25 H new ATOM 961 N GLN A 60 8.428 -5.180 -4.318 1.00 43.20 N ATOM 962 CA GLN A 60 9.145 -4.234 -3.442 1.00 65.42 C ATOM 963 C GLN A 60 9.958 -3.232 -4.275 1.00 24.21 C ATOM 964 O GLN A 60 9.894 -2.025 -4.039 1.00 24.54 O ATOM 965 CB GLN A 60 10.083 -5.012 -2.482 1.00 15.32 C ATOM 966 CG GLN A 60 10.758 -4.146 -1.405 1.00 70.34 C ATOM 967 CD GLN A 60 11.673 -4.947 -0.482 1.00 42.32 C ATOM 968 OE1 GLN A 60 12.867 -5.099 -0.745 1.00 62.40 O ATOM 969 NE2 GLN A 60 11.126 -5.467 0.606 1.00 53.15 N ATOM 0 H GLN A 60 8.716 -6.150 -4.190 1.00 43.20 H new ATOM 0 HA GLN A 60 8.412 -3.679 -2.857 1.00 65.42 H new ATOM 0 HB2 GLN A 60 9.508 -5.797 -1.991 1.00 15.32 H new ATOM 0 HB3 GLN A 60 10.857 -5.505 -3.071 1.00 15.32 H new ATOM 0 HG2 GLN A 60 11.338 -3.360 -1.889 1.00 70.34 H new ATOM 0 HG3 GLN A 60 9.990 -3.654 -0.808 1.00 70.34 H new ATOM 0 HE21 GLN A 60 10.134 -5.324 0.797 1.00 53.15 H new ATOM 0 HE22 GLN A 60 11.696 -6.011 1.254 1.00 53.15 H new ATOM 978 N MET A 61 10.687 -3.769 -5.275 1.00 54.44 N ATOM 979 CA MET A 61 11.513 -2.978 -6.204 1.00 2.34 C ATOM 980 C MET A 61 10.650 -2.016 -7.048 1.00 10.15 C ATOM 981 O MET A 61 11.031 -0.867 -7.257 1.00 72.43 O ATOM 982 CB MET A 61 12.329 -3.921 -7.128 1.00 74.13 C ATOM 983 CG MET A 61 13.317 -4.843 -6.394 1.00 11.23 C ATOM 984 SD MET A 61 14.071 -6.057 -7.499 1.00 62.11 S ATOM 985 CE MET A 61 14.828 -7.182 -6.326 1.00 55.43 C ATOM 0 H MET A 61 10.718 -4.772 -5.460 1.00 54.44 H new ATOM 0 HA MET A 61 12.201 -2.375 -5.612 1.00 2.34 H new ATOM 0 HB2 MET A 61 11.635 -4.537 -7.700 1.00 74.13 H new ATOM 0 HB3 MET A 61 12.883 -3.315 -7.845 1.00 74.13 H new ATOM 0 HG2 MET A 61 14.099 -4.240 -5.932 1.00 11.23 H new ATOM 0 HG3 MET A 61 12.797 -5.362 -5.589 1.00 11.23 H new ATOM 0 HE1 MET A 61 14.999 -8.146 -6.805 1.00 55.43 H new ATOM 0 HE2 MET A 61 15.779 -6.770 -5.989 1.00 55.43 H new ATOM 0 HE3 MET A 61 14.166 -7.314 -5.470 1.00 55.43 H new ATOM 995 N ALA A 62 9.464 -2.499 -7.490 1.00 33.13 N ATOM 996 CA ALA A 62 8.516 -1.698 -8.293 1.00 32.35 C ATOM 997 C ALA A 62 7.947 -0.531 -7.466 1.00 43.13 C ATOM 998 O ALA A 62 7.859 0.601 -7.955 1.00 0.55 O ATOM 999 CB ALA A 62 7.379 -2.587 -8.810 1.00 65.12 C ATOM 0 H ALA A 62 9.142 -3.448 -7.300 1.00 33.13 H new ATOM 0 HA ALA A 62 9.054 -1.281 -9.144 1.00 32.35 H new ATOM 0 HB1 ALA A 62 6.687 -1.986 -9.400 1.00 65.12 H new ATOM 0 HB2 ALA A 62 7.792 -3.381 -9.432 1.00 65.12 H new ATOM 0 HB3 ALA A 62 6.848 -3.027 -7.966 1.00 65.12 H new ATOM 1005 N LEU A 63 7.615 -0.837 -6.189 1.00 31.43 N ATOM 1006 CA LEU A 63 7.112 0.150 -5.217 1.00 11.35 C ATOM 1007 C LEU A 63 8.150 1.262 -5.010 1.00 25.21 C ATOM 1008 O LEU A 63 7.813 2.443 -5.053 1.00 54.12 O ATOM 1009 CB LEU A 63 6.760 -0.541 -3.868 1.00 23.22 C ATOM 1010 CG LEU A 63 5.590 -1.575 -3.933 1.00 73.11 C ATOM 1011 CD1 LEU A 63 5.503 -2.408 -2.642 1.00 64.55 C ATOM 1012 CD2 LEU A 63 4.245 -0.885 -4.252 1.00 20.40 C ATOM 0 H LEU A 63 7.691 -1.780 -5.808 1.00 31.43 H new ATOM 0 HA LEU A 63 6.200 0.599 -5.611 1.00 11.35 H new ATOM 0 HB2 LEU A 63 7.650 -1.047 -3.495 1.00 23.22 H new ATOM 0 HB3 LEU A 63 6.503 0.229 -3.141 1.00 23.22 H new ATOM 0 HG LEU A 63 5.806 -2.263 -4.751 1.00 73.11 H new ATOM 0 HD11 LEU A 63 4.679 -3.117 -2.721 1.00 64.55 H new ATOM 0 HD12 LEU A 63 6.436 -2.952 -2.496 1.00 64.55 H new ATOM 0 HD13 LEU A 63 5.332 -1.746 -1.793 1.00 64.55 H new ATOM 0 HD21 LEU A 63 3.453 -1.632 -4.290 1.00 20.40 H new ATOM 0 HD22 LEU A 63 4.018 -0.154 -3.476 1.00 20.40 H new ATOM 0 HD23 LEU A 63 4.314 -0.381 -5.216 1.00 20.40 H new ATOM 1024 N GLN A 64 9.424 0.854 -4.847 1.00 4.13 N ATOM 1025 CA GLN A 64 10.571 1.776 -4.772 1.00 23.43 C ATOM 1026 C GLN A 64 10.649 2.711 -6.010 1.00 11.21 C ATOM 1027 O GLN A 64 10.888 3.923 -5.860 1.00 51.23 O ATOM 1028 CB GLN A 64 11.895 0.980 -4.606 1.00 42.30 C ATOM 1029 CG GLN A 64 12.026 0.238 -3.264 1.00 62.54 C ATOM 1030 CD GLN A 64 13.321 -0.565 -3.160 1.00 64.51 C ATOM 1031 OE1 GLN A 64 13.371 -1.737 -3.538 1.00 41.42 O ATOM 1032 NE2 GLN A 64 14.385 0.062 -2.673 1.00 2.31 N ATOM 0 H GLN A 64 9.686 -0.128 -4.764 1.00 4.13 H new ATOM 0 HA GLN A 64 10.425 2.409 -3.897 1.00 23.43 H new ATOM 0 HB2 GLN A 64 11.974 0.256 -5.417 1.00 42.30 H new ATOM 0 HB3 GLN A 64 12.734 1.668 -4.710 1.00 42.30 H new ATOM 0 HG2 GLN A 64 11.984 0.960 -2.448 1.00 62.54 H new ATOM 0 HG3 GLN A 64 11.176 -0.433 -3.140 1.00 62.54 H new ATOM 0 HE21 GLN A 64 14.310 1.033 -2.369 1.00 2.31 H new ATOM 0 HE22 GLN A 64 15.277 -0.427 -2.603 1.00 2.31 H new ATOM 1041 N VAL A 65 10.393 2.158 -7.226 1.00 54.55 N ATOM 1042 CA VAL A 65 10.422 2.939 -8.487 1.00 74.33 C ATOM 1043 C VAL A 65 9.310 4.008 -8.507 1.00 63.12 C ATOM 1044 O VAL A 65 9.520 5.133 -8.988 1.00 32.42 O ATOM 1045 CB VAL A 65 10.311 2.001 -9.757 1.00 14.23 C ATOM 1046 CG1 VAL A 65 10.250 2.807 -11.078 1.00 53.42 C ATOM 1047 CG2 VAL A 65 11.482 0.991 -9.803 1.00 32.45 C ATOM 0 H VAL A 65 10.164 1.173 -7.357 1.00 54.55 H new ATOM 0 HA VAL A 65 11.386 3.446 -8.528 1.00 74.33 H new ATOM 0 HB VAL A 65 9.374 1.453 -9.661 1.00 14.23 H new ATOM 0 HG11 VAL A 65 10.174 2.120 -11.921 1.00 53.42 H new ATOM 0 HG12 VAL A 65 9.379 3.462 -11.065 1.00 53.42 H new ATOM 0 HG13 VAL A 65 11.154 3.408 -11.180 1.00 53.42 H new ATOM 0 HG21 VAL A 65 11.382 0.358 -10.685 1.00 32.45 H new ATOM 0 HG22 VAL A 65 12.427 1.532 -9.849 1.00 32.45 H new ATOM 0 HG23 VAL A 65 11.463 0.370 -8.907 1.00 32.45 H new ATOM 1057 N VAL A 66 8.147 3.675 -7.918 1.00 74.33 N ATOM 1058 CA VAL A 66 6.983 4.585 -7.885 1.00 11.31 C ATOM 1059 C VAL A 66 6.899 5.329 -6.531 1.00 2.35 C ATOM 1060 O VAL A 66 5.830 5.834 -6.157 1.00 44.34 O ATOM 1061 CB VAL A 66 5.644 3.822 -8.223 1.00 54.25 C ATOM 1062 CG1 VAL A 66 5.707 3.216 -9.641 1.00 30.12 C ATOM 1063 CG2 VAL A 66 5.307 2.732 -7.180 1.00 0.05 C ATOM 0 H VAL A 66 7.986 2.780 -7.456 1.00 74.33 H new ATOM 0 HA VAL A 66 7.123 5.337 -8.661 1.00 11.31 H new ATOM 0 HB VAL A 66 4.840 4.557 -8.187 1.00 54.25 H new ATOM 0 HG11 VAL A 66 4.774 2.694 -9.855 1.00 30.12 H new ATOM 0 HG12 VAL A 66 5.853 4.012 -10.371 1.00 30.12 H new ATOM 0 HG13 VAL A 66 6.538 2.513 -9.700 1.00 30.12 H new ATOM 0 HG21 VAL A 66 4.377 2.237 -7.459 1.00 0.05 H new ATOM 0 HG22 VAL A 66 6.113 1.999 -7.147 1.00 0.05 H new ATOM 0 HG23 VAL A 66 5.194 3.191 -6.198 1.00 0.05 H new ATOM 1073 N ASN A 67 8.062 5.393 -5.817 1.00 44.23 N ATOM 1074 CA ASN A 67 8.262 6.246 -4.618 1.00 71.20 C ATOM 1075 C ASN A 67 7.288 5.905 -3.468 1.00 64.10 C ATOM 1076 O ASN A 67 6.878 6.775 -2.688 1.00 3.41 O ATOM 1077 CB ASN A 67 8.211 7.752 -5.004 1.00 73.31 C ATOM 1078 CG ASN A 67 9.336 8.152 -5.966 1.00 31.10 C ATOM 1079 OD1 ASN A 67 9.183 8.091 -7.188 1.00 22.23 O ATOM 1080 ND2 ASN A 67 10.489 8.533 -5.427 1.00 23.11 N ATOM 0 H ASN A 67 8.888 4.848 -6.064 1.00 44.23 H new ATOM 0 HA ASN A 67 9.257 6.030 -4.230 1.00 71.20 H new ATOM 0 HB2 ASN A 67 7.248 7.973 -5.465 1.00 73.31 H new ATOM 0 HB3 ASN A 67 8.278 8.358 -4.100 1.00 73.31 H new ATOM 0 HD21 ASN A 67 11.274 8.784 -6.027 1.00 23.11 H new ATOM 0 HD22 ASN A 67 10.589 8.575 -4.413 1.00 23.11 H new ATOM 1087 N ILE A 68 6.955 4.615 -3.368 1.00 22.23 N ATOM 1088 CA ILE A 68 6.181 4.052 -2.259 1.00 23.31 C ATOM 1089 C ILE A 68 7.161 3.472 -1.227 1.00 61.43 C ATOM 1090 O ILE A 68 7.968 2.588 -1.545 1.00 12.12 O ATOM 1091 CB ILE A 68 5.173 2.942 -2.749 1.00 21.31 C ATOM 1092 CG1 ILE A 68 4.125 3.539 -3.742 1.00 72.24 C ATOM 1093 CG2 ILE A 68 4.471 2.244 -1.560 1.00 73.30 C ATOM 1094 CD1 ILE A 68 3.237 4.627 -3.155 1.00 3.43 C ATOM 0 H ILE A 68 7.220 3.921 -4.067 1.00 22.23 H new ATOM 0 HA ILE A 68 5.582 4.844 -1.809 1.00 23.31 H new ATOM 0 HB ILE A 68 5.752 2.185 -3.278 1.00 21.31 H new ATOM 0 HG12 ILE A 68 4.653 3.946 -4.604 1.00 72.24 H new ATOM 0 HG13 ILE A 68 3.492 2.731 -4.109 1.00 72.24 H new ATOM 0 HG21 ILE A 68 3.784 1.486 -1.937 1.00 73.30 H new ATOM 0 HG22 ILE A 68 5.218 1.772 -0.922 1.00 73.30 H new ATOM 0 HG23 ILE A 68 3.915 2.982 -0.982 1.00 73.30 H new ATOM 0 HD11 ILE A 68 2.542 4.980 -3.917 1.00 3.43 H new ATOM 0 HD12 ILE A 68 2.676 4.223 -2.312 1.00 3.43 H new ATOM 0 HD13 ILE A 68 3.856 5.457 -2.815 1.00 3.43 H new ATOM 1106 N GLN A 69 7.099 4.014 -0.014 1.00 11.33 N ATOM 1107 CA GLN A 69 7.952 3.624 1.112 1.00 55.32 C ATOM 1108 C GLN A 69 7.401 2.345 1.765 1.00 4.55 C ATOM 1109 O GLN A 69 6.224 2.294 2.114 1.00 55.14 O ATOM 1110 CB GLN A 69 7.973 4.803 2.113 1.00 50.23 C ATOM 1111 CG GLN A 69 8.835 4.604 3.358 1.00 64.22 C ATOM 1112 CD GLN A 69 8.853 5.849 4.234 1.00 4.12 C ATOM 1113 OE1 GLN A 69 7.908 5.951 5.155 1.00 33.15 O flip ATOM 1114 NE2 GLN A 69 9.701 6.729 4.065 1.00 35.31 N flip ATOM 0 H GLN A 69 6.439 4.755 0.222 1.00 11.33 H new ATOM 0 HA GLN A 69 8.967 3.408 0.780 1.00 55.32 H new ATOM 0 HB2 GLN A 69 8.324 5.693 1.590 1.00 50.23 H new ATOM 0 HB3 GLN A 69 6.950 5.003 2.431 1.00 50.23 H new ATOM 0 HG2 GLN A 69 8.455 3.760 3.933 1.00 64.22 H new ATOM 0 HG3 GLN A 69 9.853 4.354 3.060 1.00 64.22 H new ATOM 0 HE21 GLN A 69 10.415 6.617 3.346 1.00 35.31 H new ATOM 0 HE22 GLN A 69 9.688 7.568 4.645 1.00 35.31 H new ATOM 1123 N THR A 70 8.247 1.320 1.934 1.00 30.21 N ATOM 1124 CA THR A 70 7.820 0.039 2.520 1.00 31.12 C ATOM 1125 C THR A 70 8.086 0.065 4.031 1.00 34.31 C ATOM 1126 O THR A 70 9.236 0.203 4.464 1.00 31.30 O ATOM 1127 CB THR A 70 8.555 -1.175 1.862 1.00 43.53 C ATOM 1128 OG1 THR A 70 8.344 -1.159 0.438 1.00 42.34 O ATOM 1129 CG2 THR A 70 8.071 -2.523 2.430 1.00 63.33 C ATOM 0 H THR A 70 9.233 1.352 1.673 1.00 30.21 H new ATOM 0 HA THR A 70 6.754 -0.088 2.330 1.00 31.12 H new ATOM 0 HB THR A 70 9.616 -1.075 2.090 1.00 43.53 H new ATOM 0 HG1 THR A 70 8.808 -1.920 0.030 1.00 42.34 H new ATOM 0 HG21 THR A 70 8.609 -3.337 1.944 1.00 63.33 H new ATOM 0 HG22 THR A 70 8.259 -2.554 3.503 1.00 63.33 H new ATOM 0 HG23 THR A 70 7.002 -2.633 2.245 1.00 63.33 H new ATOM 1137 N ILE A 71 7.012 -0.027 4.817 1.00 14.44 N ATOM 1138 CA ILE A 71 7.075 -0.058 6.285 1.00 35.35 C ATOM 1139 C ILE A 71 7.296 -1.497 6.758 1.00 42.32 C ATOM 1140 O ILE A 71 8.227 -1.781 7.513 1.00 72.42 O ATOM 1141 CB ILE A 71 5.758 0.539 6.907 1.00 52.15 C ATOM 1142 CG1 ILE A 71 5.548 1.994 6.394 1.00 40.11 C ATOM 1143 CG2 ILE A 71 5.756 0.476 8.457 1.00 54.12 C ATOM 1144 CD1 ILE A 71 6.709 2.938 6.659 1.00 55.51 C ATOM 0 H ILE A 71 6.062 -0.083 4.451 1.00 14.44 H new ATOM 0 HA ILE A 71 7.911 0.556 6.620 1.00 35.35 H new ATOM 0 HB ILE A 71 4.920 -0.076 6.579 1.00 52.15 H new ATOM 0 HG12 ILE A 71 5.362 1.962 5.320 1.00 40.11 H new ATOM 0 HG13 ILE A 71 4.652 2.403 6.861 1.00 40.11 H new ATOM 0 HG21 ILE A 71 4.827 0.900 8.837 1.00 54.12 H new ATOM 0 HG22 ILE A 71 5.840 -0.562 8.779 1.00 54.12 H new ATOM 0 HG23 ILE A 71 6.600 1.046 8.845 1.00 54.12 H new ATOM 0 HD11 ILE A 71 6.471 3.927 6.266 1.00 55.51 H new ATOM 0 HD12 ILE A 71 6.885 3.006 7.733 1.00 55.51 H new ATOM 0 HD13 ILE A 71 7.605 2.559 6.168 1.00 55.51 H new ATOM 1156 N ALA A 72 6.450 -2.411 6.275 1.00 50.31 N ATOM 1157 CA ALA A 72 6.522 -3.837 6.622 1.00 15.02 C ATOM 1158 C ALA A 72 6.331 -4.684 5.362 1.00 71.22 C ATOM 1159 O ALA A 72 5.694 -4.233 4.405 1.00 0.15 O ATOM 1160 CB ALA A 72 5.453 -4.169 7.676 1.00 45.10 C ATOM 0 H ALA A 72 5.693 -2.184 5.630 1.00 50.31 H new ATOM 0 HA ALA A 72 7.501 -4.064 7.043 1.00 15.02 H new ATOM 0 HB1 ALA A 72 5.510 -5.227 7.931 1.00 45.10 H new ATOM 0 HB2 ALA A 72 5.626 -3.571 8.571 1.00 45.10 H new ATOM 0 HB3 ALA A 72 4.465 -3.945 7.275 1.00 45.10 H new ATOM 1166 N MET A 73 6.925 -5.885 5.364 1.00 12.33 N ATOM 1167 CA MET A 73 6.799 -6.861 4.271 1.00 23.13 C ATOM 1168 C MET A 73 7.112 -8.271 4.805 1.00 41.43 C ATOM 1169 O MET A 73 8.152 -8.476 5.442 1.00 23.02 O ATOM 1170 CB MET A 73 7.731 -6.466 3.089 1.00 51.53 C ATOM 1171 CG MET A 73 7.690 -7.408 1.879 1.00 70.41 C ATOM 1172 SD MET A 73 8.297 -6.638 0.356 1.00 52.03 S ATOM 1173 CE MET A 73 7.030 -5.400 0.028 1.00 63.34 C ATOM 0 H MET A 73 7.513 -6.210 6.132 1.00 12.33 H new ATOM 0 HA MET A 73 5.777 -6.863 3.891 1.00 23.13 H new ATOM 0 HB2 MET A 73 7.464 -5.463 2.757 1.00 51.53 H new ATOM 0 HB3 MET A 73 8.756 -6.418 3.457 1.00 51.53 H new ATOM 0 HG2 MET A 73 8.289 -8.293 2.095 1.00 70.41 H new ATOM 0 HG3 MET A 73 6.665 -7.746 1.724 1.00 70.41 H new ATOM 0 HE1 MET A 73 6.735 -5.450 -1.020 1.00 63.34 H new ATOM 0 HE2 MET A 73 6.162 -5.592 0.659 1.00 63.34 H new ATOM 0 HE3 MET A 73 7.425 -4.408 0.247 1.00 63.34 H new ATOM 1183 N SER A 74 6.189 -9.224 4.568 1.00 64.25 N ATOM 1184 CA SER A 74 6.340 -10.634 4.994 1.00 23.42 C ATOM 1185 C SER A 74 7.298 -11.405 4.064 1.00 13.32 C ATOM 1186 O SER A 74 7.716 -10.891 3.017 1.00 73.40 O ATOM 1187 CB SER A 74 4.951 -11.315 5.036 1.00 11.24 C ATOM 1188 OG SER A 74 4.067 -10.615 5.903 1.00 20.35 O ATOM 0 H SER A 74 5.315 -9.040 4.075 1.00 64.25 H new ATOM 0 HA SER A 74 6.777 -10.648 5.992 1.00 23.42 H new ATOM 0 HB2 SER A 74 4.529 -11.351 4.032 1.00 11.24 H new ATOM 0 HB3 SER A 74 5.057 -12.346 5.374 1.00 11.24 H new ATOM 0 HG SER A 74 3.776 -9.785 5.472 1.00 20.35 H new ATOM 1194 N ARG A 75 7.620 -12.649 4.458 1.00 11.22 N ATOM 1195 CA ARG A 75 8.580 -13.515 3.751 1.00 13.33 C ATOM 1196 C ARG A 75 7.996 -14.059 2.431 1.00 73.31 C ATOM 1197 O ARG A 75 6.801 -14.380 2.350 1.00 72.24 O ATOM 1198 CB ARG A 75 8.993 -14.693 4.674 1.00 2.11 C ATOM 1199 CG ARG A 75 9.805 -14.272 5.926 1.00 23.03 C ATOM 1200 CD ARG A 75 10.089 -15.459 6.871 1.00 44.13 C ATOM 1201 NE ARG A 75 10.987 -15.090 7.982 1.00 14.20 N ATOM 1202 CZ ARG A 75 11.250 -15.865 9.054 1.00 20.55 C ATOM 1203 NH1 ARG A 75 10.702 -17.081 9.184 1.00 23.44 N ATOM 1204 NH2 ARG A 75 12.109 -15.436 9.972 1.00 2.13 N ATOM 0 H ARG A 75 7.216 -13.087 5.286 1.00 11.22 H new ATOM 0 HA ARG A 75 9.455 -12.915 3.501 1.00 13.33 H new ATOM 0 HB2 ARG A 75 8.094 -15.217 4.998 1.00 2.11 H new ATOM 0 HB3 ARG A 75 9.584 -15.403 4.095 1.00 2.11 H new ATOM 0 HG2 ARG A 75 10.749 -13.828 5.611 1.00 23.03 H new ATOM 0 HG3 ARG A 75 9.257 -13.502 6.469 1.00 23.03 H new ATOM 0 HD2 ARG A 75 9.148 -15.831 7.276 1.00 44.13 H new ATOM 0 HD3 ARG A 75 10.535 -16.274 6.302 1.00 44.13 H new ATOM 0 HE ARG A 75 11.444 -14.179 7.936 1.00 14.20 H new ATOM 0 HH11 ARG A 75 10.073 -17.436 8.464 1.00 23.44 H new ATOM 0 HH12 ARG A 75 10.914 -17.651 10.003 1.00 23.44 H new ATOM 0 HH21 ARG A 75 12.562 -14.529 9.862 1.00 2.13 H new ATOM 0 HH22 ARG A 75 12.315 -16.014 10.787 1.00 2.13 H new ATOM 1218 N ALA A 76 8.870 -14.145 1.408 1.00 1.21 N ATOM 1219 CA ALA A 76 8.565 -14.741 0.095 1.00 63.10 C ATOM 1220 C ALA A 76 8.121 -16.204 0.247 1.00 21.44 C ATOM 1221 O ALA A 76 8.795 -16.985 0.930 1.00 43.35 O ATOM 1222 CB ALA A 76 9.806 -14.647 -0.817 1.00 3.22 C ATOM 0 H ALA A 76 9.826 -13.795 1.474 1.00 1.21 H new ATOM 0 HA ALA A 76 7.743 -14.187 -0.359 1.00 63.10 H new ATOM 0 HB1 ALA A 76 9.579 -15.088 -1.787 1.00 3.22 H new ATOM 0 HB2 ALA A 76 10.082 -13.601 -0.950 1.00 3.22 H new ATOM 0 HB3 ALA A 76 10.636 -15.186 -0.359 1.00 3.22 H new ATOM 1228 N GLY A 77 6.980 -16.572 -0.378 1.00 63.43 N ATOM 1229 CA GLY A 77 6.419 -17.918 -0.252 1.00 61.41 C ATOM 1230 C GLY A 77 5.499 -18.097 0.955 1.00 31.23 C ATOM 1231 O GLY A 77 4.683 -19.024 0.972 1.00 1.22 O ATOM 0 H GLY A 77 6.436 -15.948 -0.974 1.00 63.43 H new ATOM 0 HA2 GLY A 77 5.862 -18.155 -1.159 1.00 61.41 H new ATOM 0 HA3 GLY A 77 7.236 -18.636 -0.183 1.00 61.41 H new ATOM 1235 N SER A 78 5.623 -17.219 1.965 1.00 42.31 N ATOM 1236 CA SER A 78 4.814 -17.305 3.189 1.00 55.31 C ATOM 1237 C SER A 78 3.483 -16.576 2.965 1.00 35.14 C ATOM 1238 O SER A 78 3.477 -15.372 2.695 1.00 1.12 O ATOM 1239 CB SER A 78 5.587 -16.680 4.384 1.00 1.44 C ATOM 1240 OG SER A 78 4.854 -16.768 5.598 1.00 54.11 O ATOM 0 H SER A 78 6.280 -16.439 1.955 1.00 42.31 H new ATOM 0 HA SER A 78 4.613 -18.350 3.424 1.00 55.31 H new ATOM 0 HB2 SER A 78 6.544 -17.187 4.501 1.00 1.44 H new ATOM 0 HB3 SER A 78 5.805 -15.634 4.167 1.00 1.44 H new ATOM 0 HG SER A 78 5.375 -16.366 6.324 1.00 54.11 H new ATOM 1246 N ARG A 79 2.365 -17.318 3.055 1.00 43.11 N ATOM 1247 CA ARG A 79 1.001 -16.751 2.989 1.00 34.10 C ATOM 1248 C ARG A 79 0.237 -17.079 4.299 1.00 5.42 C ATOM 1249 O ARG A 79 0.523 -18.108 4.916 1.00 62.30 O ATOM 1250 CB ARG A 79 0.205 -17.251 1.739 1.00 43.52 C ATOM 1251 CG ARG A 79 0.506 -16.509 0.408 1.00 61.53 C ATOM 1252 CD ARG A 79 1.855 -16.890 -0.218 1.00 45.55 C ATOM 1253 NE ARG A 79 1.936 -18.341 -0.469 1.00 1.10 N ATOM 1254 CZ ARG A 79 2.565 -18.927 -1.502 1.00 22.13 C ATOM 1255 NH1 ARG A 79 3.206 -18.201 -2.418 1.00 73.14 N ATOM 1256 NH2 ARG A 79 2.551 -20.255 -1.601 1.00 65.31 N ATOM 0 H ARG A 79 2.379 -18.331 3.176 1.00 43.11 H new ATOM 0 HA ARG A 79 1.094 -15.670 2.883 1.00 34.10 H new ATOM 0 HB2 ARG A 79 0.415 -18.311 1.598 1.00 43.52 H new ATOM 0 HB3 ARG A 79 -0.861 -17.162 1.950 1.00 43.52 H new ATOM 0 HG2 ARG A 79 -0.289 -16.724 -0.306 1.00 61.53 H new ATOM 0 HG3 ARG A 79 0.490 -15.434 0.589 1.00 61.53 H new ATOM 0 HD2 ARG A 79 1.990 -16.348 -1.154 1.00 45.55 H new ATOM 0 HD3 ARG A 79 2.665 -16.587 0.445 1.00 45.55 H new ATOM 0 HE ARG A 79 1.473 -18.955 0.201 1.00 1.10 H new ATOM 0 HH11 ARG A 79 3.224 -17.184 -2.341 1.00 73.14 H new ATOM 0 HH12 ARG A 79 3.678 -18.662 -3.196 1.00 73.14 H new ATOM 0 HH21 ARG A 79 2.067 -20.814 -0.898 1.00 65.31 H new ATOM 0 HH22 ARG A 79 3.024 -20.713 -2.380 1.00 65.31 H new ATOM 1270 N PRO A 80 -0.740 -16.219 4.774 1.00 1.15 N ATOM 1271 CA PRO A 80 -1.151 -14.941 4.129 1.00 62.13 C ATOM 1272 C PRO A 80 -0.055 -13.853 4.180 1.00 31.31 C ATOM 1273 O PRO A 80 0.272 -13.326 5.247 1.00 32.42 O ATOM 1274 CB PRO A 80 -2.415 -14.527 4.924 1.00 11.13 C ATOM 1275 CG PRO A 80 -2.247 -15.170 6.266 1.00 12.21 C ATOM 1276 CD PRO A 80 -1.544 -16.479 6.001 1.00 3.02 C ATOM 0 HA PRO A 80 -1.336 -15.064 3.062 1.00 62.13 H new ATOM 0 HB2 PRO A 80 -2.491 -13.443 5.011 1.00 11.13 H new ATOM 0 HB3 PRO A 80 -3.324 -14.872 4.431 1.00 11.13 H new ATOM 0 HG2 PRO A 80 -1.661 -14.538 6.933 1.00 12.21 H new ATOM 0 HG3 PRO A 80 -3.212 -15.333 6.747 1.00 12.21 H new ATOM 0 HD2 PRO A 80 -0.910 -16.767 6.839 1.00 3.02 H new ATOM 0 HD3 PRO A 80 -2.256 -17.290 5.846 1.00 3.02 H new ATOM 1284 N TRP A 81 0.508 -13.558 3.001 1.00 5.44 N ATOM 1285 CA TRP A 81 1.601 -12.594 2.850 1.00 50.25 C ATOM 1286 C TRP A 81 1.035 -11.195 3.043 1.00 15.50 C ATOM 1287 O TRP A 81 0.141 -10.806 2.314 1.00 30.05 O ATOM 1288 CB TRP A 81 2.241 -12.731 1.437 1.00 72.22 C ATOM 1289 CG TRP A 81 3.416 -11.803 1.189 1.00 3.13 C ATOM 1290 CD1 TRP A 81 4.742 -12.075 1.388 1.00 72.53 C ATOM 1291 CD2 TRP A 81 3.364 -10.451 0.702 1.00 4.12 C ATOM 1292 NE1 TRP A 81 5.503 -10.982 1.063 1.00 22.44 N ATOM 1293 CE2 TRP A 81 4.681 -9.980 0.635 1.00 42.03 C ATOM 1294 CE3 TRP A 81 2.322 -9.595 0.318 1.00 45.51 C ATOM 1295 CZ2 TRP A 81 4.986 -8.703 0.197 1.00 53.53 C ATOM 1296 CZ3 TRP A 81 2.631 -8.328 -0.115 1.00 14.33 C ATOM 1297 CH2 TRP A 81 3.956 -7.892 -0.171 1.00 40.13 C ATOM 0 H TRP A 81 0.215 -13.985 2.122 1.00 5.44 H new ATOM 0 HA TRP A 81 2.376 -12.784 3.593 1.00 50.25 H new ATOM 0 HB2 TRP A 81 2.571 -13.761 1.299 1.00 72.22 H new ATOM 0 HB3 TRP A 81 1.476 -12.538 0.685 1.00 72.22 H new ATOM 0 HD1 TRP A 81 5.133 -13.015 1.749 1.00 72.53 H new ATOM 0 HE1 TRP A 81 6.519 -10.927 1.130 1.00 22.44 H new ATOM 0 HE3 TRP A 81 1.295 -9.926 0.362 1.00 45.51 H new ATOM 0 HZ2 TRP A 81 6.009 -8.360 0.149 1.00 53.53 H new ATOM 0 HZ3 TRP A 81 1.838 -7.660 -0.416 1.00 14.33 H new ATOM 0 HH2 TRP A 81 4.169 -6.890 -0.514 1.00 40.13 H new ATOM 1308 N LYS A 82 1.536 -10.432 4.010 1.00 42.10 N ATOM 1309 CA LYS A 82 1.086 -9.045 4.181 1.00 20.53 C ATOM 1310 C LYS A 82 2.254 -8.073 4.097 1.00 20.22 C ATOM 1311 O LYS A 82 3.416 -8.460 4.207 1.00 73.42 O ATOM 1312 CB LYS A 82 0.271 -8.884 5.483 1.00 13.13 C ATOM 1313 CG LYS A 82 1.048 -9.027 6.807 1.00 43.32 C ATOM 1314 CD LYS A 82 0.097 -9.233 8.016 1.00 1.04 C ATOM 1315 CE LYS A 82 -1.034 -8.188 8.085 1.00 5.33 C ATOM 1316 NZ LYS A 82 -2.017 -8.497 9.157 1.00 14.31 N ATOM 0 H LYS A 82 2.242 -10.739 4.679 1.00 42.10 H new ATOM 0 HA LYS A 82 0.416 -8.798 3.358 1.00 20.53 H new ATOM 0 HB2 LYS A 82 -0.201 -7.902 5.470 1.00 13.13 H new ATOM 0 HB3 LYS A 82 -0.530 -9.623 5.477 1.00 13.13 H new ATOM 0 HG2 LYS A 82 1.734 -9.871 6.736 1.00 43.32 H new ATOM 0 HG3 LYS A 82 1.655 -8.136 6.970 1.00 43.32 H new ATOM 0 HD2 LYS A 82 -0.341 -10.230 7.960 1.00 1.04 H new ATOM 0 HD3 LYS A 82 0.678 -9.192 8.938 1.00 1.04 H new ATOM 0 HE2 LYS A 82 -0.605 -7.201 8.261 1.00 5.33 H new ATOM 0 HE3 LYS A 82 -1.547 -8.146 7.124 1.00 5.33 H new ATOM 0 HZ1 LYS A 82 -2.760 -7.769 9.167 1.00 14.31 H new ATOM 0 HZ2 LYS A 82 -2.446 -9.427 8.977 1.00 14.31 H new ATOM 0 HZ3 LYS A 82 -1.534 -8.512 10.078 1.00 14.31 H new ATOM 1330 N ALA A 83 1.915 -6.811 3.850 1.00 40.15 N ATOM 1331 CA ALA A 83 2.865 -5.711 3.779 1.00 31.32 C ATOM 1332 C ALA A 83 2.143 -4.431 4.157 1.00 52.00 C ATOM 1333 O ALA A 83 0.939 -4.312 3.939 1.00 10.53 O ATOM 1334 CB ALA A 83 3.472 -5.587 2.373 1.00 2.34 C ATOM 0 H ALA A 83 0.950 -6.521 3.690 1.00 40.15 H new ATOM 0 HA ALA A 83 3.686 -5.899 4.470 1.00 31.32 H new ATOM 0 HB1 ALA A 83 4.177 -4.756 2.353 1.00 2.34 H new ATOM 0 HB2 ALA A 83 3.992 -6.511 2.118 1.00 2.34 H new ATOM 0 HB3 ALA A 83 2.678 -5.406 1.649 1.00 2.34 H new ATOM 1340 N TYR A 84 2.873 -3.494 4.744 1.00 63.12 N ATOM 1341 CA TYR A 84 2.357 -2.166 5.076 1.00 3.41 C ATOM 1342 C TYR A 84 3.187 -1.120 4.321 1.00 11.14 C ATOM 1343 O TYR A 84 4.413 -1.112 4.415 1.00 32.23 O ATOM 1344 CB TYR A 84 2.399 -1.960 6.608 1.00 32.33 C ATOM 1345 CG TYR A 84 1.403 -2.856 7.373 1.00 14.12 C ATOM 1346 CD1 TYR A 84 0.062 -2.480 7.527 1.00 65.32 C ATOM 1347 CD2 TYR A 84 1.799 -4.071 7.936 1.00 71.42 C ATOM 1348 CE1 TYR A 84 -0.830 -3.280 8.220 1.00 71.52 C ATOM 1349 CE2 TYR A 84 0.910 -4.872 8.623 1.00 51.22 C ATOM 1350 CZ TYR A 84 -0.400 -4.472 8.764 1.00 20.42 C ATOM 1351 OH TYR A 84 -1.287 -5.264 9.469 1.00 23.44 O ATOM 0 H TYR A 84 3.849 -3.631 5.007 1.00 63.12 H new ATOM 0 HA TYR A 84 1.316 -2.061 4.769 1.00 3.41 H new ATOM 0 HB2 TYR A 84 3.408 -2.162 6.967 1.00 32.33 H new ATOM 0 HB3 TYR A 84 2.184 -0.915 6.833 1.00 32.33 H new ATOM 0 HD1 TYR A 84 -0.281 -1.550 7.098 1.00 65.32 H new ATOM 0 HD2 TYR A 84 2.825 -4.391 7.831 1.00 71.42 H new ATOM 0 HE1 TYR A 84 -1.859 -2.972 8.334 1.00 71.52 H new ATOM 0 HE2 TYR A 84 1.240 -5.808 9.048 1.00 51.22 H new ATOM 0 HH TYR A 84 -2.049 -5.491 8.896 1.00 23.44 H new ATOM 1361 N LEU A 85 2.507 -0.285 3.525 1.00 43.45 N ATOM 1362 CA LEU A 85 3.134 0.727 2.660 1.00 5.51 C ATOM 1363 C LEU A 85 2.701 2.131 3.087 1.00 34.31 C ATOM 1364 O LEU A 85 1.570 2.327 3.504 1.00 15.32 O ATOM 1365 CB LEU A 85 2.694 0.492 1.192 1.00 41.21 C ATOM 1366 CG LEU A 85 3.012 -0.907 0.591 1.00 43.02 C ATOM 1367 CD1 LEU A 85 2.505 -0.996 -0.863 1.00 60.33 C ATOM 1368 CD2 LEU A 85 4.519 -1.229 0.693 1.00 10.15 C ATOM 0 H LEU A 85 1.489 -0.292 3.462 1.00 43.45 H new ATOM 0 HA LEU A 85 4.217 0.642 2.747 1.00 5.51 H new ATOM 0 HB2 LEU A 85 1.618 0.655 1.127 1.00 41.21 H new ATOM 0 HB3 LEU A 85 3.169 1.248 0.567 1.00 41.21 H new ATOM 0 HG LEU A 85 2.485 -1.661 1.175 1.00 43.02 H new ATOM 0 HD11 LEU A 85 2.735 -1.981 -1.269 1.00 60.33 H new ATOM 0 HD12 LEU A 85 1.427 -0.839 -0.883 1.00 60.33 H new ATOM 0 HD13 LEU A 85 2.994 -0.231 -1.466 1.00 60.33 H new ATOM 0 HD21 LEU A 85 4.711 -2.213 0.265 1.00 10.15 H new ATOM 0 HD22 LEU A 85 5.089 -0.478 0.146 1.00 10.15 H new ATOM 0 HD23 LEU A 85 4.822 -1.224 1.740 1.00 10.15 H new ATOM 1380 N SER A 86 3.590 3.104 2.926 1.00 45.22 N ATOM 1381 CA SER A 86 3.322 4.507 3.245 1.00 33.10 C ATOM 1382 C SER A 86 3.799 5.399 2.095 1.00 12.14 C ATOM 1383 O SER A 86 4.721 5.037 1.353 1.00 44.45 O ATOM 1384 CB SER A 86 4.046 4.906 4.542 1.00 42.24 C ATOM 1385 OG SER A 86 5.443 4.729 4.414 1.00 13.15 O ATOM 0 H SER A 86 4.530 2.942 2.566 1.00 45.22 H new ATOM 0 HA SER A 86 2.249 4.637 3.385 1.00 33.10 H new ATOM 0 HB2 SER A 86 3.827 5.947 4.780 1.00 42.24 H new ATOM 0 HB3 SER A 86 3.673 4.305 5.371 1.00 42.24 H new ATOM 0 HG SER A 86 5.909 5.462 4.868 1.00 13.15 H new ATOM 1391 N ALA A 87 3.148 6.537 1.953 1.00 64.13 N ATOM 1392 CA ALA A 87 3.558 7.611 1.049 1.00 13.23 C ATOM 1393 C ALA A 87 3.008 8.929 1.593 1.00 13.41 C ATOM 1394 O ALA A 87 2.224 8.930 2.539 1.00 10.03 O ATOM 1395 CB ALA A 87 3.047 7.341 -0.379 1.00 14.24 C ATOM 0 H ALA A 87 2.297 6.752 2.473 1.00 64.13 H new ATOM 0 HA ALA A 87 4.645 7.664 0.996 1.00 13.23 H new ATOM 0 HB1 ALA A 87 3.362 8.151 -1.037 1.00 14.24 H new ATOM 0 HB2 ALA A 87 3.458 6.399 -0.741 1.00 14.24 H new ATOM 0 HB3 ALA A 87 1.959 7.282 -0.371 1.00 14.24 H new ATOM 1401 N GLN A 88 3.448 10.043 1.026 1.00 2.52 N ATOM 1402 CA GLN A 88 2.885 11.362 1.324 1.00 22.30 C ATOM 1403 C GLN A 88 3.062 12.224 0.093 1.00 3.13 C ATOM 1404 O GLN A 88 4.190 12.427 -0.347 1.00 21.14 O ATOM 1405 CB GLN A 88 3.575 12.022 2.544 1.00 22.50 C ATOM 1406 CG GLN A 88 2.990 13.406 2.913 1.00 63.40 C ATOM 1407 CD GLN A 88 3.615 14.046 4.149 1.00 4.35 C ATOM 1408 OE1 GLN A 88 4.063 13.362 5.069 1.00 64.52 O ATOM 1409 NE2 GLN A 88 3.654 15.362 4.176 1.00 33.31 N ATOM 0 H GLN A 88 4.207 10.063 0.344 1.00 2.52 H new ATOM 0 HA GLN A 88 1.831 11.256 1.580 1.00 22.30 H new ATOM 0 HB2 GLN A 88 3.486 11.358 3.404 1.00 22.50 H new ATOM 0 HB3 GLN A 88 4.639 12.131 2.334 1.00 22.50 H new ATOM 0 HG2 GLN A 88 3.120 14.079 2.066 1.00 63.40 H new ATOM 0 HG3 GLN A 88 1.917 13.302 3.076 1.00 63.40 H new ATOM 0 HE21 GLN A 88 3.274 15.900 3.397 1.00 33.31 H new ATOM 0 HE22 GLN A 88 4.064 15.844 4.976 1.00 33.31 H new ATOM 1418 N ASP A 89 1.966 12.738 -0.466 1.00 11.11 N ATOM 1419 CA ASP A 89 2.042 13.496 -1.715 1.00 75.30 C ATOM 1420 C ASP A 89 2.537 14.927 -1.443 1.00 64.51 C ATOM 1421 O ASP A 89 2.651 15.361 -0.281 1.00 62.55 O ATOM 1422 CB ASP A 89 0.693 13.461 -2.483 1.00 1.20 C ATOM 1423 CG ASP A 89 -0.351 14.488 -2.016 1.00 12.23 C ATOM 1424 OD1 ASP A 89 -0.624 14.578 -0.796 1.00 51.12 O ATOM 1425 OD2 ASP A 89 -0.899 15.224 -2.865 1.00 75.32 O ATOM 0 H ASP A 89 1.027 12.645 -0.080 1.00 11.11 H new ATOM 0 HA ASP A 89 2.773 13.021 -2.369 1.00 75.30 H new ATOM 0 HB2 ASP A 89 0.892 13.624 -3.542 1.00 1.20 H new ATOM 0 HB3 ASP A 89 0.265 12.463 -2.389 1.00 1.20 H new ATOM 1430 N ASP A 90 2.846 15.634 -2.531 1.00 74.23 N ATOM 1431 CA ASP A 90 3.415 16.992 -2.495 1.00 41.51 C ATOM 1432 C ASP A 90 2.481 18.053 -1.827 1.00 10.52 C ATOM 1433 O ASP A 90 2.931 19.162 -1.514 1.00 24.51 O ATOM 1434 CB ASP A 90 3.808 17.398 -3.937 1.00 33.00 C ATOM 1435 CG ASP A 90 4.419 18.813 -4.057 1.00 12.13 C ATOM 1436 OD1 ASP A 90 5.582 18.999 -3.654 1.00 4.24 O ATOM 1437 OD2 ASP A 90 3.741 19.739 -4.565 1.00 3.53 O ATOM 0 H ASP A 90 2.708 15.279 -3.477 1.00 74.23 H new ATOM 0 HA ASP A 90 4.298 16.969 -1.856 1.00 41.51 H new ATOM 0 HB2 ASP A 90 4.524 16.672 -4.324 1.00 33.00 H new ATOM 0 HB3 ASP A 90 2.923 17.342 -4.571 1.00 33.00 H new ATOM 1442 N THR A 91 1.203 17.715 -1.580 1.00 41.44 N ATOM 1443 CA THR A 91 0.256 18.644 -0.905 1.00 44.40 C ATOM 1444 C THR A 91 0.154 18.367 0.616 1.00 71.11 C ATOM 1445 O THR A 91 -0.581 19.065 1.335 1.00 11.11 O ATOM 1446 CB THR A 91 -1.154 18.605 -1.562 1.00 24.22 C ATOM 1447 OG1 THR A 91 -1.791 17.372 -1.270 1.00 63.35 O ATOM 1448 CG2 THR A 91 -1.094 18.787 -3.089 1.00 13.10 C ATOM 0 H THR A 91 0.797 16.814 -1.832 1.00 41.44 H new ATOM 0 HA THR A 91 0.663 19.647 -1.033 1.00 44.40 H new ATOM 0 HB THR A 91 -1.722 19.437 -1.145 1.00 24.22 H new ATOM 0 HG1 THR A 91 -1.448 16.677 -1.869 1.00 63.35 H new ATOM 0 HG21 THR A 91 -2.103 18.752 -3.500 1.00 13.10 H new ATOM 0 HG22 THR A 91 -0.640 19.750 -3.323 1.00 13.10 H new ATOM 0 HG23 THR A 91 -0.496 17.988 -3.527 1.00 13.10 H new ATOM 1456 N GLY A 92 0.906 17.354 1.101 1.00 51.20 N ATOM 1457 CA GLY A 92 1.040 17.089 2.542 1.00 60.24 C ATOM 1458 C GLY A 92 0.149 15.979 3.095 1.00 62.30 C ATOM 1459 O GLY A 92 0.270 15.648 4.281 1.00 31.24 O ATOM 0 H GLY A 92 1.429 16.708 0.510 1.00 51.20 H new ATOM 0 HA2 GLY A 92 2.079 16.834 2.751 1.00 60.24 H new ATOM 0 HA3 GLY A 92 0.822 18.009 3.084 1.00 60.24 H new ATOM 1463 N CYS A 93 -0.743 15.400 2.270 1.00 42.32 N ATOM 1464 CA CYS A 93 -1.627 14.306 2.724 1.00 55.00 C ATOM 1465 C CYS A 93 -0.831 12.998 2.867 1.00 3.21 C ATOM 1466 O CYS A 93 -0.061 12.638 1.976 1.00 63.35 O ATOM 1467 CB CYS A 93 -2.814 14.119 1.762 1.00 0.12 C ATOM 1468 SG CYS A 93 -3.897 15.565 1.634 1.00 20.12 S ATOM 0 H CYS A 93 -0.872 15.667 1.294 1.00 42.32 H new ATOM 0 HA CYS A 93 -2.028 14.576 3.701 1.00 55.00 H new ATOM 0 HB2 CYS A 93 -2.430 13.877 0.771 1.00 0.12 H new ATOM 0 HB3 CYS A 93 -3.404 13.264 2.092 1.00 0.12 H new ATOM 0 HG CYS A 93 -3.922 16.191 2.773 1.00 20.12 H new ATOM 1474 N LEU A 94 -1.028 12.307 3.998 1.00 30.01 N ATOM 1475 CA LEU A 94 -0.313 11.065 4.333 1.00 63.53 C ATOM 1476 C LEU A 94 -1.179 9.865 3.881 1.00 24.54 C ATOM 1477 O LEU A 94 -2.388 9.863 4.074 1.00 31.11 O ATOM 1478 CB LEU A 94 -0.003 11.043 5.878 1.00 44.32 C ATOM 1479 CG LEU A 94 1.157 10.106 6.389 1.00 50.22 C ATOM 1480 CD1 LEU A 94 0.759 8.629 6.390 1.00 14.43 C ATOM 1481 CD2 LEU A 94 2.451 10.315 5.589 1.00 45.32 C ATOM 0 H LEU A 94 -1.694 12.596 4.714 1.00 30.01 H new ATOM 0 HA LEU A 94 0.643 11.004 3.814 1.00 63.53 H new ATOM 0 HB2 LEU A 94 0.232 12.062 6.186 1.00 44.32 H new ATOM 0 HB3 LEU A 94 -0.917 10.756 6.397 1.00 44.32 H new ATOM 0 HG LEU A 94 1.345 10.394 7.423 1.00 50.22 H new ATOM 0 HD11 LEU A 94 1.594 8.028 6.750 1.00 14.43 H new ATOM 0 HD12 LEU A 94 -0.101 8.484 7.043 1.00 14.43 H new ATOM 0 HD13 LEU A 94 0.501 8.321 5.377 1.00 14.43 H new ATOM 0 HD21 LEU A 94 3.226 9.651 5.971 1.00 45.32 H new ATOM 0 HD22 LEU A 94 2.269 10.092 4.538 1.00 45.32 H new ATOM 0 HD23 LEU A 94 2.778 11.350 5.689 1.00 45.32 H new ATOM 1493 N PHE A 95 -0.543 8.879 3.236 1.00 62.31 N ATOM 1494 CA PHE A 95 -1.199 7.670 2.694 1.00 41.34 C ATOM 1495 C PHE A 95 -0.641 6.415 3.377 1.00 32.14 C ATOM 1496 O PHE A 95 0.576 6.240 3.464 1.00 14.05 O ATOM 1497 CB PHE A 95 -0.968 7.599 1.160 1.00 25.21 C ATOM 1498 CG PHE A 95 -1.533 8.812 0.427 1.00 31.52 C ATOM 1499 CD1 PHE A 95 -0.772 9.970 0.256 1.00 63.22 C ATOM 1500 CD2 PHE A 95 -2.839 8.810 -0.053 1.00 0.03 C ATOM 1501 CE1 PHE A 95 -1.301 11.078 -0.375 1.00 44.30 C ATOM 1502 CE2 PHE A 95 -3.365 9.922 -0.675 1.00 25.30 C ATOM 1503 CZ PHE A 95 -2.594 11.055 -0.837 1.00 63.31 C ATOM 0 H PHE A 95 0.463 8.894 3.070 1.00 62.31 H new ATOM 0 HA PHE A 95 -2.270 7.722 2.891 1.00 41.34 H new ATOM 0 HB2 PHE A 95 0.101 7.523 0.960 1.00 25.21 H new ATOM 0 HB3 PHE A 95 -1.431 6.693 0.768 1.00 25.21 H new ATOM 0 HD1 PHE A 95 0.244 9.999 0.622 1.00 63.22 H new ATOM 0 HD2 PHE A 95 -3.448 7.926 0.063 1.00 0.03 H new ATOM 0 HE1 PHE A 95 -0.697 11.964 -0.505 1.00 44.30 H new ATOM 0 HE2 PHE A 95 -4.383 9.907 -1.036 1.00 25.30 H new ATOM 0 HZ PHE A 95 -3.008 11.924 -1.327 1.00 63.31 H new ATOM 1513 N LEU A 96 -1.544 5.569 3.880 1.00 61.55 N ATOM 1514 CA LEU A 96 -1.205 4.287 4.525 1.00 64.24 C ATOM 1515 C LEU A 96 -1.939 3.161 3.790 1.00 20.01 C ATOM 1516 O LEU A 96 -3.091 3.324 3.410 1.00 1.35 O ATOM 1517 CB LEU A 96 -1.602 4.296 6.029 1.00 14.24 C ATOM 1518 CG LEU A 96 -1.077 5.514 6.869 1.00 33.11 C ATOM 1519 CD1 LEU A 96 -2.087 6.677 6.873 1.00 52.52 C ATOM 1520 CD2 LEU A 96 -0.684 5.115 8.297 1.00 45.11 C ATOM 0 H LEU A 96 -2.547 5.753 3.853 1.00 61.55 H new ATOM 0 HA LEU A 96 -0.128 4.130 4.469 1.00 64.24 H new ATOM 0 HB2 LEU A 96 -2.690 4.274 6.098 1.00 14.24 H new ATOM 0 HB3 LEU A 96 -1.235 3.378 6.487 1.00 14.24 H new ATOM 0 HG LEU A 96 -0.169 5.862 6.376 1.00 33.11 H new ATOM 0 HD11 LEU A 96 -1.690 7.502 7.464 1.00 52.52 H new ATOM 0 HD12 LEU A 96 -2.259 7.013 5.850 1.00 52.52 H new ATOM 0 HD13 LEU A 96 -3.028 6.340 7.307 1.00 52.52 H new ATOM 0 HD21 LEU A 96 -0.328 5.993 8.835 1.00 45.11 H new ATOM 0 HD22 LEU A 96 -1.552 4.702 8.811 1.00 45.11 H new ATOM 0 HD23 LEU A 96 0.107 4.366 8.261 1.00 45.11 H new ATOM 1532 N THR A 97 -1.252 2.041 3.548 1.00 34.11 N ATOM 1533 CA THR A 97 -1.810 0.905 2.787 1.00 73.42 C ATOM 1534 C THR A 97 -1.346 -0.455 3.355 1.00 1.02 C ATOM 1535 O THR A 97 -0.314 -0.541 4.013 1.00 20.51 O ATOM 1536 CB THR A 97 -1.417 1.034 1.273 1.00 74.43 C ATOM 1537 OG1 THR A 97 -1.730 2.356 0.820 1.00 72.50 O ATOM 1538 CG2 THR A 97 -2.149 0.023 0.373 1.00 32.13 C ATOM 0 H THR A 97 -0.296 1.890 3.870 1.00 34.11 H new ATOM 0 HA THR A 97 -2.895 0.939 2.883 1.00 73.42 H new ATOM 0 HB THR A 97 -0.349 0.826 1.201 1.00 74.43 H new ATOM 0 HG1 THR A 97 -1.442 2.460 -0.111 1.00 72.50 H new ATOM 0 HG21 THR A 97 -1.835 0.163 -0.661 1.00 32.13 H new ATOM 0 HG22 THR A 97 -1.907 -0.991 0.692 1.00 32.13 H new ATOM 0 HG23 THR A 97 -3.225 0.180 0.450 1.00 32.13 H new ATOM 1546 N GLU A 98 -2.174 -1.489 3.137 1.00 33.43 N ATOM 1547 CA GLU A 98 -1.830 -2.891 3.410 1.00 42.15 C ATOM 1548 C GLU A 98 -2.051 -3.734 2.133 1.00 71.03 C ATOM 1549 O GLU A 98 -3.073 -3.587 1.456 1.00 12.32 O ATOM 1550 CB GLU A 98 -2.690 -3.459 4.565 1.00 70.33 C ATOM 1551 CG GLU A 98 -2.403 -4.945 4.901 1.00 61.13 C ATOM 1552 CD GLU A 98 -3.393 -5.531 5.915 1.00 52.33 C ATOM 1553 OE1 GLU A 98 -4.442 -6.060 5.497 1.00 54.34 O ATOM 1554 OE2 GLU A 98 -3.138 -5.456 7.134 1.00 3.20 O ATOM 0 H GLU A 98 -3.115 -1.371 2.761 1.00 33.43 H new ATOM 0 HA GLU A 98 -0.783 -2.938 3.708 1.00 42.15 H new ATOM 0 HB2 GLU A 98 -2.521 -2.857 5.458 1.00 70.33 H new ATOM 0 HB3 GLU A 98 -3.743 -3.354 4.304 1.00 70.33 H new ATOM 0 HG2 GLU A 98 -2.440 -5.533 3.984 1.00 61.13 H new ATOM 0 HG3 GLU A 98 -1.391 -5.034 5.296 1.00 61.13 H new ATOM 1561 N LEU A 99 -1.073 -4.591 1.805 1.00 23.55 N ATOM 1562 CA LEU A 99 -1.189 -5.598 0.732 1.00 70.22 C ATOM 1563 C LEU A 99 -1.251 -6.975 1.385 1.00 3.05 C ATOM 1564 O LEU A 99 -0.343 -7.318 2.123 1.00 32.23 O ATOM 1565 CB LEU A 99 0.029 -5.524 -0.230 1.00 1.21 C ATOM 1566 CG LEU A 99 0.240 -4.168 -0.962 1.00 54.50 C ATOM 1567 CD1 LEU A 99 1.383 -4.271 -1.991 1.00 10.15 C ATOM 1568 CD2 LEU A 99 -1.065 -3.680 -1.611 1.00 2.13 C ATOM 0 H LEU A 99 -0.170 -4.607 2.279 1.00 23.55 H new ATOM 0 HA LEU A 99 -2.088 -5.409 0.146 1.00 70.22 H new ATOM 0 HB2 LEU A 99 0.930 -5.751 0.339 1.00 1.21 H new ATOM 0 HB3 LEU A 99 -0.079 -6.306 -0.981 1.00 1.21 H new ATOM 0 HG LEU A 99 0.531 -3.424 -0.220 1.00 54.50 H new ATOM 0 HD11 LEU A 99 1.511 -3.310 -2.490 1.00 10.15 H new ATOM 0 HD12 LEU A 99 2.308 -4.542 -1.482 1.00 10.15 H new ATOM 0 HD13 LEU A 99 1.139 -5.034 -2.730 1.00 10.15 H new ATOM 0 HD21 LEU A 99 -0.887 -2.730 -2.115 1.00 2.13 H new ATOM 0 HD22 LEU A 99 -1.409 -4.417 -2.336 1.00 2.13 H new ATOM 0 HD23 LEU A 99 -1.826 -3.546 -0.842 1.00 2.13 H new ATOM 1580 N LEU A 100 -2.309 -7.750 1.117 1.00 34.13 N ATOM 1581 CA LEU A 100 -2.542 -9.035 1.806 1.00 10.25 C ATOM 1582 C LEU A 100 -2.936 -10.139 0.805 1.00 13.14 C ATOM 1583 O LEU A 100 -4.011 -10.091 0.236 1.00 54.10 O ATOM 1584 CB LEU A 100 -3.645 -8.837 2.878 1.00 53.42 C ATOM 1585 CG LEU A 100 -4.021 -10.096 3.714 1.00 71.45 C ATOM 1586 CD1 LEU A 100 -2.800 -10.689 4.448 1.00 33.55 C ATOM 1587 CD2 LEU A 100 -5.172 -9.776 4.684 1.00 30.51 C ATOM 0 H LEU A 100 -3.022 -7.513 0.427 1.00 34.13 H new ATOM 0 HA LEU A 100 -1.620 -9.356 2.290 1.00 10.25 H new ATOM 0 HB2 LEU A 100 -3.321 -8.054 3.564 1.00 53.42 H new ATOM 0 HB3 LEU A 100 -4.545 -8.473 2.382 1.00 53.42 H new ATOM 0 HG LEU A 100 -4.367 -10.864 3.022 1.00 71.45 H new ATOM 0 HD11 LEU A 100 -3.109 -11.565 5.018 1.00 33.55 H new ATOM 0 HD12 LEU A 100 -2.043 -10.979 3.719 1.00 33.55 H new ATOM 0 HD13 LEU A 100 -2.385 -9.943 5.125 1.00 33.55 H new ATOM 0 HD21 LEU A 100 -5.421 -10.667 5.260 1.00 30.51 H new ATOM 0 HD22 LEU A 100 -4.865 -8.980 5.362 1.00 30.51 H new ATOM 0 HD23 LEU A 100 -6.046 -9.454 4.118 1.00 30.51 H new ATOM 1599 N LEU A 101 -2.086 -11.160 0.649 1.00 42.14 N ATOM 1600 CA LEU A 101 -2.284 -12.243 -0.321 1.00 4.14 C ATOM 1601 C LEU A 101 -2.686 -13.516 0.439 1.00 74.22 C ATOM 1602 O LEU A 101 -1.883 -14.045 1.221 1.00 54.54 O ATOM 1603 CB LEU A 101 -0.991 -12.499 -1.132 1.00 13.04 C ATOM 1604 CG LEU A 101 -1.109 -13.596 -2.242 1.00 22.33 C ATOM 1605 CD1 LEU A 101 -2.011 -13.135 -3.399 1.00 23.35 C ATOM 1606 CD2 LEU A 101 0.273 -14.035 -2.745 1.00 5.23 C ATOM 0 H LEU A 101 -1.232 -11.259 1.198 1.00 42.14 H new ATOM 0 HA LEU A 101 -3.070 -11.959 -1.021 1.00 4.14 H new ATOM 0 HB2 LEU A 101 -0.682 -11.564 -1.599 1.00 13.04 H new ATOM 0 HB3 LEU A 101 -0.199 -12.787 -0.441 1.00 13.04 H new ATOM 0 HG LEU A 101 -1.583 -14.467 -1.790 1.00 22.33 H new ATOM 0 HD11 LEU A 101 -2.069 -13.922 -4.151 1.00 23.35 H new ATOM 0 HD12 LEU A 101 -3.010 -12.922 -3.019 1.00 23.35 H new ATOM 0 HD13 LEU A 101 -1.594 -12.234 -3.849 1.00 23.35 H new ATOM 0 HD21 LEU A 101 0.155 -14.797 -3.515 1.00 5.23 H new ATOM 0 HD22 LEU A 101 0.798 -13.176 -3.163 1.00 5.23 H new ATOM 0 HD23 LEU A 101 0.849 -14.444 -1.915 1.00 5.23 H new ATOM 1618 N GLU A 102 -3.913 -13.985 0.198 1.00 74.34 N ATOM 1619 CA GLU A 102 -4.486 -15.157 0.872 1.00 64.54 C ATOM 1620 C GLU A 102 -3.825 -16.481 0.404 1.00 31.14 C ATOM 1621 O GLU A 102 -3.439 -16.606 -0.771 1.00 53.12 O ATOM 1622 CB GLU A 102 -6.018 -15.195 0.633 1.00 73.33 C ATOM 1623 CG GLU A 102 -6.772 -13.965 1.184 1.00 4.14 C ATOM 1624 CD GLU A 102 -6.571 -13.751 2.704 1.00 71.13 C ATOM 1625 OE1 GLU A 102 -7.185 -14.485 3.510 1.00 63.25 O ATOM 1626 OE2 GLU A 102 -5.811 -12.848 3.100 1.00 32.21 O ATOM 0 H GLU A 102 -4.545 -13.558 -0.479 1.00 74.34 H new ATOM 0 HA GLU A 102 -4.286 -15.064 1.939 1.00 64.54 H new ATOM 0 HB2 GLU A 102 -6.206 -15.274 -0.438 1.00 73.33 H new ATOM 0 HB3 GLU A 102 -6.425 -16.094 1.095 1.00 73.33 H new ATOM 0 HG2 GLU A 102 -6.437 -13.075 0.652 1.00 4.14 H new ATOM 0 HG3 GLU A 102 -7.836 -14.078 0.978 1.00 4.14 H new ATOM 1633 N PRO A 103 -3.667 -17.479 1.334 1.00 12.22 N ATOM 1634 CA PRO A 103 -3.128 -18.821 1.003 1.00 63.10 C ATOM 1635 C PRO A 103 -4.154 -19.682 0.233 1.00 61.43 C ATOM 1636 O PRO A 103 -5.373 -19.483 0.370 1.00 21.05 O ATOM 1637 CB PRO A 103 -2.810 -19.421 2.393 1.00 11.33 C ATOM 1638 CG PRO A 103 -3.825 -18.796 3.297 1.00 2.40 C ATOM 1639 CD PRO A 103 -3.989 -17.376 2.792 1.00 50.15 C ATOM 0 HA PRO A 103 -2.260 -18.778 0.345 1.00 63.10 H new ATOM 0 HB2 PRO A 103 -2.895 -20.508 2.388 1.00 11.33 H new ATOM 0 HB3 PRO A 103 -1.794 -19.182 2.708 1.00 11.33 H new ATOM 0 HG2 PRO A 103 -4.770 -19.338 3.262 1.00 2.40 H new ATOM 0 HG3 PRO A 103 -3.489 -18.809 4.334 1.00 2.40 H new ATOM 0 HD2 PRO A 103 -5.002 -17.008 2.953 1.00 50.15 H new ATOM 0 HD3 PRO A 103 -3.315 -16.689 3.303 1.00 50.15 H new ATOM 1647 N GLY A 104 -3.646 -20.650 -0.554 1.00 13.31 N ATOM 1648 CA GLY A 104 -4.490 -21.494 -1.406 1.00 41.05 C ATOM 1649 C GLY A 104 -5.024 -20.718 -2.608 1.00 4.15 C ATOM 1650 O GLY A 104 -4.453 -20.787 -3.704 1.00 22.00 O ATOM 0 H GLY A 104 -2.650 -20.863 -0.614 1.00 13.31 H new ATOM 0 HA2 GLY A 104 -3.916 -22.353 -1.752 1.00 41.05 H new ATOM 0 HA3 GLY A 104 -5.325 -21.883 -0.822 1.00 41.05 H new ATOM 1654 N ASN A 105 -6.110 -19.960 -2.384 1.00 2.40 N ATOM 1655 CA ASN A 105 -6.703 -19.070 -3.393 1.00 54.44 C ATOM 1656 C ASN A 105 -5.940 -17.736 -3.397 1.00 1.40 C ATOM 1657 O ASN A 105 -6.133 -16.889 -2.507 1.00 13.33 O ATOM 1658 CB ASN A 105 -8.223 -18.845 -3.127 1.00 74.33 C ATOM 1659 CG ASN A 105 -9.075 -20.119 -3.253 1.00 74.02 C ATOM 1660 OD1 ASN A 105 -8.632 -21.234 -2.948 1.00 54.35 O ATOM 1661 ND2 ASN A 105 -10.300 -19.969 -3.725 1.00 10.22 N ATOM 0 H ASN A 105 -6.604 -19.948 -1.491 1.00 2.40 H new ATOM 0 HA ASN A 105 -6.617 -19.537 -4.374 1.00 54.44 H new ATOM 0 HB2 ASN A 105 -8.349 -18.433 -2.126 1.00 74.33 H new ATOM 0 HB3 ASN A 105 -8.598 -18.099 -3.828 1.00 74.33 H new ATOM 0 HD21 ASN A 105 -10.903 -20.783 -3.845 1.00 10.22 H new ATOM 0 HD22 ASN A 105 -10.642 -19.040 -3.969 1.00 10.22 H new ATOM 1668 N SER A 106 -5.044 -17.584 -4.387 1.00 64.54 N ATOM 1669 CA SER A 106 -4.202 -16.392 -4.539 1.00 50.24 C ATOM 1670 C SER A 106 -5.065 -15.162 -4.900 1.00 12.21 C ATOM 1671 O SER A 106 -5.373 -14.929 -6.069 1.00 50.12 O ATOM 1672 CB SER A 106 -3.121 -16.639 -5.613 1.00 15.25 C ATOM 1673 OG SER A 106 -2.375 -17.818 -5.339 1.00 51.33 O ATOM 0 H SER A 106 -4.885 -18.290 -5.106 1.00 64.54 H new ATOM 0 HA SER A 106 -3.705 -16.189 -3.590 1.00 50.24 H new ATOM 0 HB2 SER A 106 -3.592 -16.724 -6.592 1.00 15.25 H new ATOM 0 HB3 SER A 106 -2.448 -15.783 -5.657 1.00 15.25 H new ATOM 0 HG SER A 106 -1.700 -17.948 -6.038 1.00 51.33 H new ATOM 1679 N GLU A 107 -5.506 -14.439 -3.860 1.00 60.41 N ATOM 1680 CA GLU A 107 -6.205 -13.143 -3.998 1.00 40.33 C ATOM 1681 C GLU A 107 -5.548 -12.121 -3.071 1.00 32.33 C ATOM 1682 O GLU A 107 -5.245 -12.428 -1.917 1.00 71.30 O ATOM 1683 CB GLU A 107 -7.720 -13.243 -3.671 1.00 72.22 C ATOM 1684 CG GLU A 107 -8.527 -14.112 -4.643 1.00 10.14 C ATOM 1685 CD GLU A 107 -10.036 -14.061 -4.371 1.00 54.50 C ATOM 1686 OE1 GLU A 107 -10.539 -14.890 -3.581 1.00 52.32 O ATOM 1687 OE2 GLU A 107 -10.732 -13.198 -4.951 1.00 44.23 O ATOM 0 H GLU A 107 -5.389 -14.735 -2.891 1.00 60.41 H new ATOM 0 HA GLU A 107 -6.122 -12.832 -5.039 1.00 40.33 H new ATOM 0 HB2 GLU A 107 -7.835 -13.644 -2.664 1.00 72.22 H new ATOM 0 HB3 GLU A 107 -8.144 -12.239 -3.664 1.00 72.22 H new ATOM 0 HG2 GLU A 107 -8.335 -13.782 -5.664 1.00 10.14 H new ATOM 0 HG3 GLU A 107 -8.184 -15.144 -4.572 1.00 10.14 H new ATOM 1694 N MET A 108 -5.359 -10.901 -3.580 1.00 3.00 N ATOM 1695 CA MET A 108 -4.701 -9.818 -2.855 1.00 60.42 C ATOM 1696 C MET A 108 -5.739 -8.758 -2.481 1.00 2.44 C ATOM 1697 O MET A 108 -6.442 -8.240 -3.342 1.00 12.51 O ATOM 1698 CB MET A 108 -3.558 -9.188 -3.695 1.00 52.24 C ATOM 1699 CG MET A 108 -2.826 -8.029 -2.987 1.00 74.11 C ATOM 1700 SD MET A 108 -1.336 -7.497 -3.853 1.00 31.04 S ATOM 1701 CE MET A 108 -0.262 -8.915 -3.616 1.00 32.51 C ATOM 0 H MET A 108 -5.663 -10.637 -4.517 1.00 3.00 H new ATOM 0 HA MET A 108 -4.253 -10.226 -1.949 1.00 60.42 H new ATOM 0 HB2 MET A 108 -2.834 -9.964 -3.944 1.00 52.24 H new ATOM 0 HB3 MET A 108 -3.971 -8.823 -4.636 1.00 52.24 H new ATOM 0 HG2 MET A 108 -3.506 -7.182 -2.892 1.00 74.11 H new ATOM 0 HG3 MET A 108 -2.560 -8.339 -1.976 1.00 74.11 H new ATOM 0 HE1 MET A 108 0.773 -8.620 -3.787 1.00 32.51 H new ATOM 0 HE2 MET A 108 -0.370 -9.287 -2.597 1.00 32.51 H new ATOM 0 HE3 MET A 108 -0.536 -9.701 -4.320 1.00 32.51 H new ATOM 1711 N GLN A 109 -5.816 -8.467 -1.187 1.00 54.13 N ATOM 1712 CA GLN A 109 -6.685 -7.462 -0.602 1.00 1.21 C ATOM 1713 C GLN A 109 -5.828 -6.216 -0.352 1.00 11.31 C ATOM 1714 O GLN A 109 -4.842 -6.276 0.398 1.00 34.31 O ATOM 1715 CB GLN A 109 -7.275 -8.013 0.726 1.00 22.31 C ATOM 1716 CG GLN A 109 -8.083 -9.308 0.553 1.00 32.00 C ATOM 1717 CD GLN A 109 -8.651 -9.841 1.869 1.00 4.04 C ATOM 1718 OE1 GLN A 109 -9.770 -9.508 2.260 1.00 64.31 O ATOM 1719 NE2 GLN A 109 -7.874 -10.647 2.572 1.00 3.11 N ATOM 0 H GLN A 109 -5.248 -8.948 -0.490 1.00 54.13 H new ATOM 0 HA GLN A 109 -7.517 -7.212 -1.260 1.00 1.21 H new ATOM 0 HB2 GLN A 109 -6.461 -8.194 1.427 1.00 22.31 H new ATOM 0 HB3 GLN A 109 -7.916 -7.252 1.172 1.00 22.31 H new ATOM 0 HG2 GLN A 109 -8.902 -9.128 -0.143 1.00 32.00 H new ATOM 0 HG3 GLN A 109 -7.445 -10.070 0.104 1.00 32.00 H new ATOM 0 HE21 GLN A 109 -6.952 -10.903 2.219 1.00 3.11 H new ATOM 0 HE22 GLN A 109 -8.196 -11.013 3.468 1.00 3.11 H new ATOM 1728 N ILE A 110 -6.182 -5.122 -1.020 1.00 62.44 N ATOM 1729 CA ILE A 110 -5.482 -3.841 -0.920 1.00 33.14 C ATOM 1730 C ILE A 110 -6.344 -2.924 -0.051 1.00 61.11 C ATOM 1731 O ILE A 110 -7.426 -2.543 -0.477 1.00 54.53 O ATOM 1732 CB ILE A 110 -5.263 -3.160 -2.343 1.00 53.00 C ATOM 1733 CG1 ILE A 110 -4.442 -4.070 -3.331 1.00 33.42 C ATOM 1734 CG2 ILE A 110 -4.592 -1.769 -2.186 1.00 51.44 C ATOM 1735 CD1 ILE A 110 -5.234 -5.176 -4.025 1.00 40.32 C ATOM 0 H ILE A 110 -6.977 -5.098 -1.658 1.00 62.44 H new ATOM 0 HA ILE A 110 -4.494 -4.007 -0.490 1.00 33.14 H new ATOM 0 HB ILE A 110 -6.250 -3.028 -2.787 1.00 53.00 H new ATOM 0 HG12 ILE A 110 -3.995 -3.434 -4.095 1.00 33.42 H new ATOM 0 HG13 ILE A 110 -3.622 -4.528 -2.778 1.00 33.42 H new ATOM 0 HG21 ILE A 110 -4.451 -1.320 -3.169 1.00 51.44 H new ATOM 0 HG22 ILE A 110 -5.229 -1.124 -1.581 1.00 51.44 H new ATOM 0 HG23 ILE A 110 -3.624 -1.885 -1.698 1.00 51.44 H new ATOM 0 HD11 ILE A 110 -4.572 -5.741 -4.681 1.00 40.32 H new ATOM 0 HD12 ILE A 110 -5.659 -5.844 -3.276 1.00 40.32 H new ATOM 0 HD13 ILE A 110 -6.038 -4.734 -4.614 1.00 40.32 H new ATOM 1747 N SER A 111 -5.868 -2.564 1.140 1.00 35.50 N ATOM 1748 CA SER A 111 -6.606 -1.690 2.058 1.00 53.21 C ATOM 1749 C SER A 111 -5.904 -0.332 2.106 1.00 2.13 C ATOM 1750 O SER A 111 -4.783 -0.232 2.589 1.00 33.31 O ATOM 1751 CB SER A 111 -6.682 -2.327 3.461 1.00 2.12 C ATOM 1752 OG SER A 111 -7.454 -1.531 4.353 1.00 33.51 O ATOM 0 H SER A 111 -4.962 -2.868 1.498 1.00 35.50 H new ATOM 0 HA SER A 111 -7.628 -1.555 1.705 1.00 53.21 H new ATOM 0 HB2 SER A 111 -7.121 -3.322 3.387 1.00 2.12 H new ATOM 0 HB3 SER A 111 -5.676 -2.451 3.861 1.00 2.12 H new ATOM 0 HG SER A 111 -6.855 -1.021 4.938 1.00 33.51 H new ATOM 1758 N VAL A 112 -6.550 0.698 1.555 1.00 40.40 N ATOM 1759 CA VAL A 112 -6.012 2.060 1.528 1.00 11.35 C ATOM 1760 C VAL A 112 -6.720 2.900 2.613 1.00 60.24 C ATOM 1761 O VAL A 112 -7.954 2.977 2.635 1.00 32.32 O ATOM 1762 CB VAL A 112 -6.218 2.725 0.110 1.00 2.41 C ATOM 1763 CG1 VAL A 112 -5.512 4.096 0.025 1.00 61.23 C ATOM 1764 CG2 VAL A 112 -5.743 1.779 -1.023 1.00 64.24 C ATOM 0 H VAL A 112 -7.465 0.610 1.113 1.00 40.40 H new ATOM 0 HA VAL A 112 -4.941 2.021 1.726 1.00 11.35 H new ATOM 0 HB VAL A 112 -7.286 2.896 -0.024 1.00 2.41 H new ATOM 0 HG11 VAL A 112 -5.673 4.527 -0.963 1.00 61.23 H new ATOM 0 HG12 VAL A 112 -5.921 4.764 0.783 1.00 61.23 H new ATOM 0 HG13 VAL A 112 -4.443 3.966 0.195 1.00 61.23 H new ATOM 0 HG21 VAL A 112 -5.896 2.262 -1.988 1.00 64.24 H new ATOM 0 HG22 VAL A 112 -4.684 1.558 -0.892 1.00 64.24 H new ATOM 0 HG23 VAL A 112 -6.315 0.852 -0.986 1.00 64.24 H new ATOM 1774 N LYS A 113 -5.929 3.468 3.536 1.00 45.22 N ATOM 1775 CA LYS A 113 -6.375 4.457 4.529 1.00 54.22 C ATOM 1776 C LYS A 113 -5.468 5.677 4.396 1.00 31.45 C ATOM 1777 O LYS A 113 -4.296 5.608 4.751 1.00 44.02 O ATOM 1778 CB LYS A 113 -6.232 3.922 5.977 1.00 63.14 C ATOM 1779 CG LYS A 113 -7.045 2.667 6.321 1.00 14.43 C ATOM 1780 CD LYS A 113 -6.840 2.260 7.800 1.00 21.21 C ATOM 1781 CE LYS A 113 -7.636 1.019 8.192 1.00 1.11 C ATOM 1782 NZ LYS A 113 -7.327 0.588 9.578 1.00 22.35 N ATOM 0 H LYS A 113 -4.936 3.247 3.614 1.00 45.22 H new ATOM 0 HA LYS A 113 -7.425 4.688 4.347 1.00 54.22 H new ATOM 0 HB2 LYS A 113 -5.179 3.709 6.160 1.00 63.14 H new ATOM 0 HB3 LYS A 113 -6.521 4.716 6.665 1.00 63.14 H new ATOM 0 HG2 LYS A 113 -8.103 2.853 6.135 1.00 14.43 H new ATOM 0 HG3 LYS A 113 -6.746 1.846 5.670 1.00 14.43 H new ATOM 0 HD2 LYS A 113 -5.780 2.076 7.977 1.00 21.21 H new ATOM 0 HD3 LYS A 113 -7.131 3.090 8.443 1.00 21.21 H new ATOM 0 HE2 LYS A 113 -8.702 1.227 8.104 1.00 1.11 H new ATOM 0 HE3 LYS A 113 -7.411 0.208 7.499 1.00 1.11 H new ATOM 0 HZ1 LYS A 113 -8.138 0.068 9.969 1.00 22.35 H new ATOM 0 HZ2 LYS A 113 -6.490 -0.030 9.571 1.00 22.35 H new ATOM 0 HZ3 LYS A 113 -7.136 1.424 10.167 1.00 22.35 H new ATOM 1796 N GLN A 114 -5.987 6.778 3.874 1.00 73.11 N ATOM 1797 CA GLN A 114 -5.249 8.047 3.838 1.00 22.10 C ATOM 1798 C GLN A 114 -5.756 8.953 4.970 1.00 41.05 C ATOM 1799 O GLN A 114 -6.962 8.996 5.252 1.00 43.43 O ATOM 1800 CB GLN A 114 -5.361 8.734 2.442 1.00 23.53 C ATOM 1801 CG GLN A 114 -6.788 9.003 1.930 1.00 41.43 C ATOM 1802 CD GLN A 114 -7.487 7.834 1.221 1.00 3.42 C ATOM 1803 OE1 GLN A 114 -7.202 6.661 1.445 1.00 20.51 O ATOM 1804 NE2 GLN A 114 -8.462 8.160 0.400 1.00 41.10 N ATOM 0 H GLN A 114 -6.921 6.826 3.466 1.00 73.11 H new ATOM 0 HA GLN A 114 -4.188 7.852 3.995 1.00 22.10 H new ATOM 0 HB2 GLN A 114 -4.827 9.683 2.483 1.00 23.53 H new ATOM 0 HB3 GLN A 114 -4.846 8.111 1.711 1.00 23.53 H new ATOM 0 HG2 GLN A 114 -7.404 9.307 2.776 1.00 41.43 H new ATOM 0 HG3 GLN A 114 -6.751 9.848 1.242 1.00 41.43 H new ATOM 0 HE21 GLN A 114 -8.679 9.142 0.231 1.00 41.10 H new ATOM 0 HE22 GLN A 114 -9.001 7.431 -0.067 1.00 41.10 H new ATOM 1813 N ASN A 115 -4.806 9.656 5.609 1.00 62.22 N ATOM 1814 CA ASN A 115 -5.047 10.474 6.808 1.00 53.13 C ATOM 1815 C ASN A 115 -5.952 11.665 6.472 1.00 1.32 C ATOM 1816 O ASN A 115 -6.852 12.020 7.237 1.00 51.42 O ATOM 1817 CB ASN A 115 -3.698 10.927 7.422 1.00 23.52 C ATOM 1818 CG ASN A 115 -3.871 11.740 8.709 1.00 44.30 C ATOM 1819 OD1 ASN A 115 -3.974 11.186 9.802 1.00 11.01 O ATOM 1820 ND2 ASN A 115 -3.880 13.053 8.582 1.00 10.43 N ATOM 0 H ASN A 115 -3.834 9.672 5.301 1.00 62.22 H new ATOM 0 HA ASN A 115 -5.567 9.873 7.555 1.00 53.13 H new ATOM 0 HB2 ASN A 115 -3.087 10.049 7.632 1.00 23.52 H new ATOM 0 HB3 ASN A 115 -3.155 11.525 6.691 1.00 23.52 H new ATOM 0 HD21 ASN A 115 -3.975 13.645 9.408 1.00 10.43 H new ATOM 0 HD22 ASN A 115 -3.792 13.477 7.658 1.00 10.43 H new ATOM 1827 N GLU A 116 -5.694 12.276 5.305 1.00 62.32 N ATOM 1828 CA GLU A 116 -6.582 13.286 4.708 1.00 73.05 C ATOM 1829 C GLU A 116 -7.133 12.712 3.399 1.00 34.40 C ATOM 1830 O GLU A 116 -6.392 12.584 2.413 1.00 74.22 O ATOM 1831 CB GLU A 116 -5.817 14.612 4.469 1.00 65.41 C ATOM 1832 CG GLU A 116 -5.278 15.258 5.758 1.00 0.23 C ATOM 1833 CD GLU A 116 -4.483 16.542 5.507 1.00 73.15 C ATOM 1834 OE1 GLU A 116 -3.381 16.455 4.927 1.00 42.12 O ATOM 1835 OE2 GLU A 116 -4.948 17.641 5.885 1.00 0.24 O ATOM 0 H GLU A 116 -4.862 12.083 4.748 1.00 62.32 H new ATOM 0 HA GLU A 116 -7.407 13.516 5.382 1.00 73.05 H new ATOM 0 HB2 GLU A 116 -4.984 14.423 3.792 1.00 65.41 H new ATOM 0 HB3 GLU A 116 -6.480 15.318 3.969 1.00 65.41 H new ATOM 0 HG2 GLU A 116 -6.114 15.481 6.421 1.00 0.23 H new ATOM 0 HG3 GLU A 116 -4.642 14.541 6.277 1.00 0.23 H new ATOM 1842 N ALA A 117 -8.422 12.331 3.414 1.00 3.54 N ATOM 1843 CA ALA A 117 -9.062 11.651 2.280 1.00 43.10 C ATOM 1844 C ALA A 117 -9.477 12.640 1.187 1.00 41.31 C ATOM 1845 O ALA A 117 -10.333 13.497 1.408 1.00 21.43 O ATOM 1846 CB ALA A 117 -10.269 10.843 2.801 1.00 71.32 C ATOM 0 H ALA A 117 -9.044 12.485 4.208 1.00 3.54 H new ATOM 0 HA ALA A 117 -8.345 10.971 1.820 1.00 43.10 H new ATOM 0 HB1 ALA A 117 -10.753 10.333 1.968 1.00 71.32 H new ATOM 0 HB2 ALA A 117 -9.927 10.106 3.528 1.00 71.32 H new ATOM 0 HB3 ALA A 117 -10.981 11.518 3.276 1.00 71.32 H new ATOM 1852 N ARG A 118 -8.844 12.519 0.002 1.00 54.23 N ATOM 1853 CA ARG A 118 -9.257 13.231 -1.219 1.00 0.44 C ATOM 1854 C ARG A 118 -9.817 12.202 -2.204 1.00 73.35 C ATOM 1855 O ARG A 118 -9.342 11.059 -2.243 1.00 61.31 O ATOM 1856 CB ARG A 118 -8.057 14.027 -1.831 1.00 73.41 C ATOM 1857 CG ARG A 118 -8.202 15.559 -1.800 1.00 2.42 C ATOM 1858 CD ARG A 118 -6.926 16.276 -2.265 1.00 41.15 C ATOM 1859 NE ARG A 118 -5.731 15.836 -1.523 1.00 1.32 N ATOM 1860 CZ ARG A 118 -4.473 15.843 -1.995 1.00 0.02 C ATOM 1861 NH1 ARG A 118 -4.174 16.303 -3.209 1.00 23.40 N ATOM 1862 NH2 ARG A 118 -3.513 15.317 -1.258 1.00 14.45 N ATOM 0 H ARG A 118 -8.029 11.921 -0.133 1.00 54.23 H new ATOM 0 HA ARG A 118 -10.029 13.964 -0.986 1.00 0.44 H new ATOM 0 HB2 ARG A 118 -7.149 13.753 -1.294 1.00 73.41 H new ATOM 0 HB3 ARG A 118 -7.923 13.712 -2.866 1.00 73.41 H new ATOM 0 HG2 ARG A 118 -9.035 15.856 -2.437 1.00 2.42 H new ATOM 0 HG3 ARG A 118 -8.446 15.878 -0.787 1.00 2.42 H new ATOM 0 HD2 ARG A 118 -6.777 16.093 -3.329 1.00 41.15 H new ATOM 0 HD3 ARG A 118 -7.051 17.352 -2.141 1.00 41.15 H new ATOM 0 HE ARG A 118 -5.871 15.498 -0.571 1.00 1.32 H new ATOM 0 HH11 ARG A 118 -4.912 16.665 -3.813 1.00 23.40 H new ATOM 0 HH12 ARG A 118 -3.207 16.293 -3.534 1.00 23.40 H new ATOM 0 HH21 ARG A 118 -3.732 14.914 -0.347 1.00 14.45 H new ATOM 0 HH22 ARG A 118 -2.552 15.313 -1.600 1.00 14.45 H new ATOM 1876 N THR A 119 -10.809 12.618 -2.999 1.00 50.11 N ATOM 1877 CA THR A 119 -11.450 11.751 -4.001 1.00 13.32 C ATOM 1878 C THR A 119 -10.442 11.424 -5.119 1.00 74.04 C ATOM 1879 O THR A 119 -10.284 10.257 -5.517 1.00 2.40 O ATOM 1880 CB THR A 119 -12.709 12.467 -4.597 1.00 13.24 C ATOM 1881 OG1 THR A 119 -13.531 12.985 -3.527 1.00 10.25 O ATOM 1882 CG2 THR A 119 -13.552 11.520 -5.475 1.00 50.32 C ATOM 0 H THR A 119 -11.191 13.563 -2.968 1.00 50.11 H new ATOM 0 HA THR A 119 -11.768 10.822 -3.527 1.00 13.32 H new ATOM 0 HB THR A 119 -12.353 13.282 -5.227 1.00 13.24 H new ATOM 0 HG1 THR A 119 -14.316 13.433 -3.905 1.00 10.25 H new ATOM 0 HG21 THR A 119 -14.415 12.059 -5.867 1.00 50.32 H new ATOM 0 HG22 THR A 119 -12.945 11.155 -6.303 1.00 50.32 H new ATOM 0 HG23 THR A 119 -13.893 10.676 -4.876 1.00 50.32 H new ATOM 1890 N GLU A 120 -9.738 12.483 -5.565 1.00 11.42 N ATOM 1891 CA GLU A 120 -8.686 12.399 -6.587 1.00 31.53 C ATOM 1892 C GLU A 120 -7.567 11.428 -6.167 1.00 55.14 C ATOM 1893 O GLU A 120 -7.148 10.584 -6.955 1.00 14.31 O ATOM 1894 CB GLU A 120 -8.097 13.815 -6.868 1.00 54.51 C ATOM 1895 CG GLU A 120 -7.558 14.544 -5.621 1.00 42.02 C ATOM 1896 CD GLU A 120 -6.830 15.855 -5.931 1.00 71.42 C ATOM 1897 OE1 GLU A 120 -7.489 16.815 -6.378 1.00 33.01 O ATOM 1898 OE2 GLU A 120 -5.599 15.940 -5.706 1.00 31.13 O ATOM 0 H GLU A 120 -9.889 13.431 -5.219 1.00 11.42 H new ATOM 0 HA GLU A 120 -9.136 12.011 -7.501 1.00 31.53 H new ATOM 0 HB2 GLU A 120 -7.290 13.721 -7.595 1.00 54.51 H new ATOM 0 HB3 GLU A 120 -8.870 14.431 -7.327 1.00 54.51 H new ATOM 0 HG2 GLU A 120 -8.389 14.753 -4.947 1.00 42.02 H new ATOM 0 HG3 GLU A 120 -6.877 13.879 -5.090 1.00 42.02 H new ATOM 1905 N THR A 121 -7.134 11.531 -4.900 1.00 5.31 N ATOM 1906 CA THR A 121 -5.977 10.799 -4.396 1.00 73.13 C ATOM 1907 C THR A 121 -6.288 9.325 -4.192 1.00 34.43 C ATOM 1908 O THR A 121 -5.436 8.484 -4.453 1.00 72.20 O ATOM 1909 CB THR A 121 -5.467 11.399 -3.065 1.00 32.02 C ATOM 1910 OG1 THR A 121 -6.492 11.343 -2.049 1.00 54.43 O ATOM 1911 CG2 THR A 121 -4.994 12.840 -3.254 1.00 1.54 C ATOM 0 H THR A 121 -7.581 12.126 -4.202 1.00 5.31 H new ATOM 0 HA THR A 121 -5.198 10.892 -5.153 1.00 73.13 H new ATOM 0 HB THR A 121 -4.618 10.799 -2.738 1.00 32.02 H new ATOM 0 HG1 THR A 121 -7.369 11.242 -2.474 1.00 54.43 H new ATOM 0 HG21 THR A 121 -4.641 13.235 -2.301 1.00 1.54 H new ATOM 0 HG22 THR A 121 -4.181 12.864 -3.980 1.00 1.54 H new ATOM 0 HG23 THR A 121 -5.822 13.450 -3.616 1.00 1.54 H new ATOM 1919 N LEU A 122 -7.508 9.027 -3.704 1.00 55.41 N ATOM 1920 CA LEU A 122 -7.933 7.652 -3.477 1.00 32.14 C ATOM 1921 C LEU A 122 -7.975 6.896 -4.812 1.00 72.05 C ATOM 1922 O LEU A 122 -7.279 5.896 -4.966 1.00 73.22 O ATOM 1923 CB LEU A 122 -9.311 7.600 -2.765 1.00 32.35 C ATOM 1924 CG LEU A 122 -9.828 6.172 -2.387 1.00 41.55 C ATOM 1925 CD1 LEU A 122 -8.776 5.380 -1.574 1.00 71.31 C ATOM 1926 CD2 LEU A 122 -11.166 6.244 -1.626 1.00 4.31 C ATOM 0 H LEU A 122 -8.209 9.728 -3.463 1.00 55.41 H new ATOM 0 HA LEU A 122 -7.210 7.168 -2.820 1.00 32.14 H new ATOM 0 HB2 LEU A 122 -9.252 8.197 -1.855 1.00 32.35 H new ATOM 0 HB3 LEU A 122 -10.050 8.075 -3.410 1.00 32.35 H new ATOM 0 HG LEU A 122 -9.998 5.635 -3.320 1.00 41.55 H new ATOM 0 HD11 LEU A 122 -9.171 4.394 -1.330 1.00 71.31 H new ATOM 0 HD12 LEU A 122 -7.867 5.270 -2.165 1.00 71.31 H new ATOM 0 HD13 LEU A 122 -8.548 5.917 -0.653 1.00 71.31 H new ATOM 0 HD21 LEU A 122 -11.498 5.236 -1.378 1.00 4.31 H new ATOM 0 HD22 LEU A 122 -11.033 6.818 -0.709 1.00 4.31 H new ATOM 0 HD23 LEU A 122 -11.915 6.729 -2.252 1.00 4.31 H new ATOM 1938 N ASN A 123 -8.720 7.452 -5.793 1.00 1.12 N ATOM 1939 CA ASN A 123 -8.914 6.820 -7.116 1.00 51.33 C ATOM 1940 C ASN A 123 -7.564 6.608 -7.835 1.00 25.13 C ATOM 1941 O ASN A 123 -7.269 5.501 -8.310 1.00 32.20 O ATOM 1942 CB ASN A 123 -9.867 7.695 -7.981 1.00 11.23 C ATOM 1943 CG ASN A 123 -11.289 7.782 -7.423 1.00 50.23 C ATOM 1944 OD1 ASN A 123 -11.807 6.827 -6.835 1.00 61.21 O ATOM 1945 ND2 ASN A 123 -11.923 8.936 -7.578 1.00 31.11 N ATOM 0 H ASN A 123 -9.201 8.346 -5.691 1.00 1.12 H new ATOM 0 HA ASN A 123 -9.366 5.839 -6.970 1.00 51.33 H new ATOM 0 HB2 ASN A 123 -9.454 8.701 -8.059 1.00 11.23 H new ATOM 0 HB3 ASN A 123 -9.906 7.287 -8.991 1.00 11.23 H new ATOM 0 HD21 ASN A 123 -12.866 9.054 -7.207 1.00 31.11 H new ATOM 0 HD22 ASN A 123 -11.468 9.706 -8.068 1.00 31.11 H new ATOM 1952 N SER A 124 -6.747 7.679 -7.851 1.00 63.24 N ATOM 1953 CA SER A 124 -5.410 7.671 -8.463 1.00 24.32 C ATOM 1954 C SER A 124 -4.507 6.602 -7.820 1.00 15.11 C ATOM 1955 O SER A 124 -3.891 5.809 -8.531 1.00 20.14 O ATOM 1956 CB SER A 124 -4.761 9.068 -8.333 1.00 22.50 C ATOM 1957 OG SER A 124 -3.455 9.103 -8.884 1.00 65.12 O ATOM 0 H SER A 124 -7.000 8.576 -7.437 1.00 63.24 H new ATOM 0 HA SER A 124 -5.521 7.424 -9.519 1.00 24.32 H new ATOM 0 HB2 SER A 124 -5.386 9.806 -8.836 1.00 22.50 H new ATOM 0 HB3 SER A 124 -4.718 9.351 -7.281 1.00 22.50 H new ATOM 0 HG SER A 124 -3.206 10.031 -9.077 1.00 65.12 H new ATOM 1963 N PHE A 125 -4.491 6.563 -6.464 1.00 12.41 N ATOM 1964 CA PHE A 125 -3.610 5.666 -5.683 1.00 55.23 C ATOM 1965 C PHE A 125 -3.909 4.189 -5.985 1.00 23.42 C ATOM 1966 O PHE A 125 -2.987 3.397 -6.213 1.00 44.32 O ATOM 1967 CB PHE A 125 -3.763 5.933 -4.156 1.00 12.04 C ATOM 1968 CG PHE A 125 -2.761 5.180 -3.281 1.00 22.11 C ATOM 1969 CD1 PHE A 125 -3.021 3.882 -2.834 1.00 64.31 C ATOM 1970 CD2 PHE A 125 -1.540 5.758 -2.935 1.00 75.01 C ATOM 1971 CE1 PHE A 125 -2.097 3.198 -2.073 1.00 13.33 C ATOM 1972 CE2 PHE A 125 -0.618 5.071 -2.167 1.00 45.04 C ATOM 1973 CZ PHE A 125 -0.895 3.793 -1.742 1.00 71.24 C ATOM 0 H PHE A 125 -5.088 7.153 -5.884 1.00 12.41 H new ATOM 0 HA PHE A 125 -2.583 5.878 -5.979 1.00 55.23 H new ATOM 0 HB2 PHE A 125 -3.655 7.002 -3.974 1.00 12.04 H new ATOM 0 HB3 PHE A 125 -4.773 5.658 -3.851 1.00 12.04 H new ATOM 0 HD1 PHE A 125 -3.958 3.408 -3.088 1.00 64.31 H new ATOM 0 HD2 PHE A 125 -1.311 6.758 -3.272 1.00 75.01 H new ATOM 0 HE1 PHE A 125 -2.313 2.195 -1.735 1.00 13.33 H new ATOM 0 HE2 PHE A 125 0.319 5.538 -1.901 1.00 45.04 H new ATOM 0 HZ PHE A 125 -0.172 3.254 -1.148 1.00 71.24 H new ATOM 1983 N ILE A 126 -5.214 3.847 -5.971 1.00 24.50 N ATOM 1984 CA ILE A 126 -5.708 2.483 -6.239 1.00 25.21 C ATOM 1985 C ILE A 126 -5.260 2.037 -7.641 1.00 43.05 C ATOM 1986 O ILE A 126 -4.701 0.959 -7.797 1.00 53.14 O ATOM 1987 CB ILE A 126 -7.281 2.414 -6.126 1.00 50.44 C ATOM 1988 CG1 ILE A 126 -7.763 2.886 -4.720 1.00 54.43 C ATOM 1989 CG2 ILE A 126 -7.820 0.993 -6.423 1.00 11.55 C ATOM 1990 CD1 ILE A 126 -9.246 3.211 -4.650 1.00 12.04 C ATOM 0 H ILE A 126 -5.959 4.515 -5.772 1.00 24.50 H new ATOM 0 HA ILE A 126 -5.287 1.811 -5.491 1.00 25.21 H new ATOM 0 HB ILE A 126 -7.682 3.090 -6.881 1.00 50.44 H new ATOM 0 HG12 ILE A 126 -7.537 2.108 -3.990 1.00 54.43 H new ATOM 0 HG13 ILE A 126 -7.194 3.770 -4.430 1.00 54.43 H new ATOM 0 HG21 ILE A 126 -8.906 0.990 -6.334 1.00 11.55 H new ATOM 0 HG22 ILE A 126 -7.538 0.701 -7.434 1.00 11.55 H new ATOM 0 HG23 ILE A 126 -7.396 0.286 -5.710 1.00 11.55 H new ATOM 0 HD11 ILE A 126 -9.501 3.531 -3.640 1.00 12.04 H new ATOM 0 HD12 ILE A 126 -9.477 4.011 -5.353 1.00 12.04 H new ATOM 0 HD13 ILE A 126 -9.825 2.324 -4.907 1.00 12.04 H new ATOM 2002 N SER A 127 -5.434 2.939 -8.631 1.00 22.22 N ATOM 2003 CA SER A 127 -5.076 2.670 -10.033 1.00 51.01 C ATOM 2004 C SER A 127 -3.550 2.455 -10.212 1.00 71.32 C ATOM 2005 O SER A 127 -3.133 1.561 -10.956 1.00 31.45 O ATOM 2006 CB SER A 127 -5.573 3.824 -10.936 1.00 35.10 C ATOM 2007 OG SER A 127 -6.973 4.016 -10.797 1.00 61.21 O ATOM 0 H SER A 127 -5.825 3.869 -8.478 1.00 22.22 H new ATOM 0 HA SER A 127 -5.567 1.744 -10.330 1.00 51.01 H new ATOM 0 HB2 SER A 127 -5.049 4.744 -10.677 1.00 35.10 H new ATOM 0 HB3 SER A 127 -5.335 3.604 -11.977 1.00 35.10 H new ATOM 0 HG SER A 127 -7.155 4.513 -9.972 1.00 61.21 H new ATOM 2013 N VAL A 128 -2.735 3.264 -9.495 1.00 35.43 N ATOM 2014 CA VAL A 128 -1.260 3.186 -9.554 1.00 2.21 C ATOM 2015 C VAL A 128 -0.769 1.854 -8.967 1.00 23.31 C ATOM 2016 O VAL A 128 0.031 1.146 -9.587 1.00 72.32 O ATOM 2017 CB VAL A 128 -0.582 4.398 -8.795 1.00 31.11 C ATOM 2018 CG1 VAL A 128 0.951 4.223 -8.662 1.00 12.13 C ATOM 2019 CG2 VAL A 128 -0.915 5.739 -9.491 1.00 3.14 C ATOM 0 H VAL A 128 -3.082 3.985 -8.863 1.00 35.43 H new ATOM 0 HA VAL A 128 -0.969 3.242 -10.603 1.00 2.21 H new ATOM 0 HB VAL A 128 -0.996 4.412 -7.787 1.00 31.11 H new ATOM 0 HG11 VAL A 128 1.371 5.080 -8.134 1.00 12.13 H new ATOM 0 HG12 VAL A 128 1.166 3.312 -8.104 1.00 12.13 H new ATOM 0 HG13 VAL A 128 1.397 4.154 -9.654 1.00 12.13 H new ATOM 0 HG21 VAL A 128 -0.438 6.557 -8.951 1.00 3.14 H new ATOM 0 HG22 VAL A 128 -0.547 5.718 -10.517 1.00 3.14 H new ATOM 0 HG23 VAL A 128 -1.995 5.888 -9.496 1.00 3.14 H new ATOM 2029 N LEU A 129 -1.260 1.530 -7.765 1.00 21.54 N ATOM 2030 CA LEU A 129 -0.921 0.283 -7.064 1.00 61.21 C ATOM 2031 C LEU A 129 -1.348 -0.958 -7.891 1.00 50.13 C ATOM 2032 O LEU A 129 -0.595 -1.933 -7.985 1.00 64.21 O ATOM 2033 CB LEU A 129 -1.559 0.309 -5.647 1.00 2.32 C ATOM 2034 CG LEU A 129 -0.995 -0.715 -4.598 1.00 75.14 C ATOM 2035 CD1 LEU A 129 -1.280 -0.242 -3.164 1.00 5.43 C ATOM 2036 CD2 LEU A 129 -1.558 -2.135 -4.812 1.00 43.01 C ATOM 0 H LEU A 129 -1.906 2.127 -7.248 1.00 21.54 H new ATOM 0 HA LEU A 129 0.160 0.206 -6.948 1.00 61.21 H new ATOM 0 HB2 LEU A 129 -1.441 1.313 -5.239 1.00 2.32 H new ATOM 0 HB3 LEU A 129 -2.629 0.132 -5.753 1.00 2.32 H new ATOM 0 HG LEU A 129 0.084 -0.761 -4.748 1.00 75.14 H new ATOM 0 HD11 LEU A 129 -0.880 -0.967 -2.455 1.00 5.43 H new ATOM 0 HD12 LEU A 129 -0.806 0.726 -2.999 1.00 5.43 H new ATOM 0 HD13 LEU A 129 -2.356 -0.148 -3.019 1.00 5.43 H new ATOM 0 HD21 LEU A 129 -1.140 -2.809 -4.064 1.00 43.01 H new ATOM 0 HD22 LEU A 129 -2.644 -2.114 -4.716 1.00 43.01 H new ATOM 0 HD23 LEU A 129 -1.289 -2.487 -5.808 1.00 43.01 H new ATOM 2048 N GLU A 130 -2.548 -0.902 -8.497 1.00 51.03 N ATOM 2049 CA GLU A 130 -3.048 -1.975 -9.383 1.00 32.23 C ATOM 2050 C GLU A 130 -2.187 -2.108 -10.653 1.00 62.34 C ATOM 2051 O GLU A 130 -2.044 -3.212 -11.182 1.00 40.44 O ATOM 2052 CB GLU A 130 -4.534 -1.751 -9.747 1.00 51.13 C ATOM 2053 CG GLU A 130 -5.508 -1.923 -8.562 1.00 3.43 C ATOM 2054 CD GLU A 130 -6.965 -1.659 -8.962 1.00 12.33 C ATOM 2055 OE1 GLU A 130 -7.266 -0.524 -9.374 1.00 42.42 O ATOM 2056 OE2 GLU A 130 -7.806 -2.583 -8.899 1.00 51.43 O ATOM 0 H GLU A 130 -3.195 -0.121 -8.390 1.00 51.03 H new ATOM 0 HA GLU A 130 -2.972 -2.912 -8.832 1.00 32.23 H new ATOM 0 HB2 GLU A 130 -4.649 -0.747 -10.155 1.00 51.13 H new ATOM 0 HB3 GLU A 130 -4.813 -2.449 -10.536 1.00 51.13 H new ATOM 0 HG2 GLU A 130 -5.420 -2.935 -8.166 1.00 3.43 H new ATOM 0 HG3 GLU A 130 -5.225 -1.241 -7.760 1.00 3.43 H new ATOM 2063 N THR A 131 -1.612 -0.982 -11.129 1.00 54.24 N ATOM 2064 CA THR A 131 -0.647 -0.992 -12.244 1.00 21.24 C ATOM 2065 C THR A 131 0.629 -1.761 -11.840 1.00 32.30 C ATOM 2066 O THR A 131 1.168 -2.534 -12.640 1.00 3.25 O ATOM 2067 CB THR A 131 -0.289 0.463 -12.712 1.00 3.31 C ATOM 2068 OG1 THR A 131 -1.482 1.150 -13.118 1.00 4.04 O ATOM 2069 CG2 THR A 131 0.716 0.478 -13.881 1.00 21.54 C ATOM 0 H THR A 131 -1.802 -0.052 -10.755 1.00 54.24 H new ATOM 0 HA THR A 131 -1.115 -1.502 -13.086 1.00 21.24 H new ATOM 0 HB THR A 131 0.176 0.964 -11.863 1.00 3.31 H new ATOM 0 HG1 THR A 131 -2.089 1.232 -12.353 1.00 4.04 H new ATOM 0 HG21 THR A 131 0.929 1.509 -14.165 1.00 21.54 H new ATOM 0 HG22 THR A 131 1.640 -0.011 -13.573 1.00 21.54 H new ATOM 0 HG23 THR A 131 0.291 -0.053 -14.733 1.00 21.54 H new ATOM 2077 N VAL A 132 1.060 -1.571 -10.570 1.00 53.53 N ATOM 2078 CA VAL A 132 2.196 -2.309 -9.988 1.00 12.21 C ATOM 2079 C VAL A 132 1.887 -3.824 -9.994 1.00 33.14 C ATOM 2080 O VAL A 132 2.667 -4.599 -10.524 1.00 34.35 O ATOM 2081 CB VAL A 132 2.550 -1.821 -8.526 1.00 35.24 C ATOM 2082 CG1 VAL A 132 3.740 -2.609 -7.943 1.00 1.10 C ATOM 2083 CG2 VAL A 132 2.842 -0.300 -8.500 1.00 43.32 C ATOM 0 H VAL A 132 0.630 -0.905 -9.928 1.00 53.53 H new ATOM 0 HA VAL A 132 3.072 -2.109 -10.605 1.00 12.21 H new ATOM 0 HB VAL A 132 1.679 -2.013 -7.900 1.00 35.24 H new ATOM 0 HG11 VAL A 132 3.957 -2.249 -6.937 1.00 1.10 H new ATOM 0 HG12 VAL A 132 3.490 -3.669 -7.902 1.00 1.10 H new ATOM 0 HG13 VAL A 132 4.616 -2.467 -8.576 1.00 1.10 H new ATOM 0 HG21 VAL A 132 3.082 0.007 -7.482 1.00 43.32 H new ATOM 0 HG22 VAL A 132 3.686 -0.080 -9.154 1.00 43.32 H new ATOM 0 HG23 VAL A 132 1.964 0.245 -8.846 1.00 43.32 H new ATOM 2093 N ILE A 133 0.684 -4.200 -9.497 1.00 32.51 N ATOM 2094 CA ILE A 133 0.225 -5.613 -9.434 1.00 15.22 C ATOM 2095 C ILE A 133 0.249 -6.256 -10.847 1.00 72.25 C ATOM 2096 O ILE A 133 0.910 -7.280 -11.073 1.00 73.01 O ATOM 2097 CB ILE A 133 -1.243 -5.699 -8.833 1.00 23.22 C ATOM 2098 CG1 ILE A 133 -1.273 -5.204 -7.352 1.00 64.31 C ATOM 2099 CG2 ILE A 133 -1.842 -7.123 -8.949 1.00 41.24 C ATOM 2100 CD1 ILE A 133 -2.658 -5.188 -6.719 1.00 11.31 C ATOM 0 H ILE A 133 0.004 -3.535 -9.129 1.00 32.51 H new ATOM 0 HA ILE A 133 0.906 -6.160 -8.782 1.00 15.22 H new ATOM 0 HB ILE A 133 -1.869 -5.037 -9.431 1.00 23.22 H new ATOM 0 HG12 ILE A 133 -0.622 -5.843 -6.755 1.00 64.31 H new ATOM 0 HG13 ILE A 133 -0.857 -4.198 -7.310 1.00 64.31 H new ATOM 0 HG21 ILE A 133 -2.846 -7.131 -8.525 1.00 41.24 H new ATOM 0 HG22 ILE A 133 -1.889 -7.413 -9.999 1.00 41.24 H new ATOM 0 HG23 ILE A 133 -1.213 -7.828 -8.405 1.00 41.24 H new ATOM 0 HD11 ILE A 133 -2.584 -4.831 -5.692 1.00 11.31 H new ATOM 0 HD12 ILE A 133 -3.310 -4.525 -7.288 1.00 11.31 H new ATOM 0 HD13 ILE A 133 -3.072 -6.196 -6.724 1.00 11.31 H new ATOM 2112 N GLY A 134 -0.404 -5.548 -11.790 1.00 63.51 N ATOM 2113 CA GLY A 134 -0.629 -6.033 -13.149 1.00 62.33 C ATOM 2114 C GLY A 134 0.659 -6.330 -13.903 1.00 2.12 C ATOM 2115 O GLY A 134 0.825 -7.426 -14.447 1.00 23.44 O ATOM 0 H GLY A 134 -0.789 -4.619 -11.620 1.00 63.51 H new ATOM 0 HA2 GLY A 134 -1.235 -6.938 -13.109 1.00 62.33 H new ATOM 0 HA3 GLY A 134 -1.203 -5.290 -13.702 1.00 62.33 H new ATOM 2119 N THR A 135 1.599 -5.363 -13.862 1.00 12.32 N ATOM 2120 CA THR A 135 2.867 -5.444 -14.612 1.00 63.30 C ATOM 2121 C THR A 135 3.793 -6.556 -14.069 1.00 61.41 C ATOM 2122 O THR A 135 4.655 -7.053 -14.797 1.00 21.53 O ATOM 2123 CB THR A 135 3.621 -4.069 -14.616 1.00 13.44 C ATOM 2124 OG1 THR A 135 4.673 -4.084 -15.595 1.00 71.30 O ATOM 2125 CG2 THR A 135 4.199 -3.696 -13.237 1.00 31.10 C ATOM 0 H THR A 135 1.501 -4.510 -13.312 1.00 12.32 H new ATOM 0 HA THR A 135 2.603 -5.698 -15.639 1.00 63.30 H new ATOM 0 HB THR A 135 2.883 -3.309 -14.871 1.00 13.44 H new ATOM 0 HG1 THR A 135 5.136 -3.221 -15.590 1.00 71.30 H new ATOM 0 HG21 THR A 135 4.709 -2.735 -13.304 1.00 31.10 H new ATOM 0 HG22 THR A 135 3.390 -3.628 -12.510 1.00 31.10 H new ATOM 0 HG23 THR A 135 4.908 -4.461 -12.920 1.00 31.10 H new ATOM 2133 N ILE A 136 3.603 -6.931 -12.785 1.00 51.32 N ATOM 2134 CA ILE A 136 4.384 -8.002 -12.132 1.00 31.03 C ATOM 2135 C ILE A 136 3.878 -9.379 -12.577 1.00 53.11 C ATOM 2136 O ILE A 136 4.665 -10.328 -12.712 1.00 42.51 O ATOM 2137 CB ILE A 136 4.316 -7.875 -10.568 1.00 43.41 C ATOM 2138 CG1 ILE A 136 4.954 -6.536 -10.123 1.00 24.23 C ATOM 2139 CG2 ILE A 136 5.003 -9.064 -9.851 1.00 42.32 C ATOM 2140 CD1 ILE A 136 4.701 -6.184 -8.683 1.00 13.01 C ATOM 0 H ILE A 136 2.907 -6.501 -12.175 1.00 51.32 H new ATOM 0 HA ILE A 136 5.425 -7.895 -12.436 1.00 31.03 H new ATOM 0 HB ILE A 136 3.265 -7.894 -10.281 1.00 43.41 H new ATOM 0 HG12 ILE A 136 6.030 -6.585 -10.290 1.00 24.23 H new ATOM 0 HG13 ILE A 136 4.570 -5.735 -10.755 1.00 24.23 H new ATOM 0 HG21 ILE A 136 4.929 -8.930 -8.772 1.00 42.32 H new ATOM 0 HG22 ILE A 136 4.511 -9.994 -10.136 1.00 42.32 H new ATOM 0 HG23 ILE A 136 6.053 -9.106 -10.141 1.00 42.32 H new ATOM 0 HD11 ILE A 136 5.181 -5.233 -8.451 1.00 13.01 H new ATOM 0 HD12 ILE A 136 3.628 -6.100 -8.512 1.00 13.01 H new ATOM 0 HD13 ILE A 136 5.111 -6.963 -8.041 1.00 13.01 H new