USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 720 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 53 ASN : amide:sc= -4.48! C(o=-3.3!,f=-4.3!) USER MOD Set 1.2: A 103 TYR OH : rot 84:sc= 1.18 USER MOD Set 2.1: A 23 MET CE :methyl -162:sc= -0.932 (180deg=-1.62) USER MOD Set 2.2: A 126 THR OG1 : rot -48:sc= -0.419 USER MOD Single : A 30 SER OG : rot -34:sc= -4.37! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.85 K(o=1.8,f=-4.4!) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -173:sc= -0.0982 (180deg=-0.733) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= 1.3 (180deg=1.13) USER MOD Single : A 77 THR OG1 : rot -172:sc= 1.39 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 144:sc= 0.834 (180deg=-0.419!) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0.856 (180deg=0.813) USER MOD Single : A 95 MET CE :methyl -106:sc= -0.975 (180deg=-6.61!) USER MOD Single : A 100 MET CE :methyl -147:sc= -0.911 (180deg=-5.58!) USER MOD Single : A 105 ASN : amide:sc= -0.077 X(o=-0.077,f=-0.00042) USER MOD Single : A 106 MET CE :methyl -157:sc= 0 (180deg=-0.842) USER MOD Single : A 124 LYS NZ :NH3+ -176:sc= 1.06 (180deg=1.04) USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= -0.413 (180deg=-1.68!) USER MOD Single : A 130 THR OG1 : rot 90:sc= 0.126 USER MOD Single : A 133 LYS NZ :NH3+ 167:sc= -0.0076 (180deg=-0.146) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.350 0.830 9.585 1.00 73.24 N ATOM 342 CA MET A 23 10.450 1.125 8.464 1.00 1.31 C ATOM 343 C MET A 23 11.154 1.976 7.390 1.00 31.45 C ATOM 344 O MET A 23 12.221 2.542 7.634 1.00 24.33 O ATOM 345 CB MET A 23 9.205 1.848 8.988 1.00 62.10 C ATOM 346 CG MET A 23 9.482 3.244 9.539 1.00 64.32 C ATOM 347 SD MET A 23 8.118 3.879 10.533 1.00 10.50 S ATOM 348 CE MET A 23 6.722 3.436 9.504 1.00 3.42 C ATOM 0 HA MET A 23 10.156 0.185 7.997 1.00 1.31 H new ATOM 0 HB2 MET A 23 8.476 1.925 8.181 1.00 62.10 H new ATOM 0 HB3 MET A 23 8.750 1.243 9.772 1.00 62.10 H new ATOM 0 HG2 MET A 23 10.388 3.218 10.145 1.00 64.32 H new ATOM 0 HG3 MET A 23 9.672 3.927 8.711 1.00 64.32 H new ATOM 0 HE1 MET A 23 5.852 4.021 9.800 1.00 3.42 H new ATOM 0 HE2 MET A 23 6.960 3.641 8.460 1.00 3.42 H new ATOM 0 HE3 MET A 23 6.504 2.375 9.624 1.00 3.42 H new ATOM 358 N LEU A 24 10.552 2.070 6.205 1.00 62.03 N ATOM 359 CA LEU A 24 11.148 2.822 5.089 1.00 71.41 C ATOM 360 C LEU A 24 10.278 3.999 4.640 1.00 75.24 C ATOM 361 O LEU A 24 9.070 3.863 4.459 1.00 71.02 O ATOM 362 CB LEU A 24 11.400 1.889 3.898 1.00 54.31 C ATOM 363 CG LEU A 24 12.715 1.105 3.960 1.00 33.12 C ATOM 364 CD1 LEU A 24 12.701 -0.043 2.961 1.00 40.32 C ATOM 365 CD2 LEU A 24 13.899 2.029 3.693 1.00 73.44 C ATOM 0 H LEU A 24 9.654 1.638 5.988 1.00 62.03 H new ATOM 0 HA LEU A 24 12.091 3.231 5.452 1.00 71.41 H new ATOM 0 HB2 LEU A 24 10.574 1.181 3.829 1.00 54.31 H new ATOM 0 HB3 LEU A 24 11.390 2.481 2.983 1.00 54.31 H new ATOM 0 HG LEU A 24 12.820 0.688 4.962 1.00 33.12 H new ATOM 0 HD11 LEU A 24 13.643 -0.588 3.020 1.00 40.32 H new ATOM 0 HD12 LEU A 24 11.877 -0.717 3.193 1.00 40.32 H new ATOM 0 HD13 LEU A 24 12.573 0.353 1.954 1.00 40.32 H new ATOM 0 HD21 LEU A 24 14.825 1.456 3.741 1.00 73.44 H new ATOM 0 HD22 LEU A 24 13.798 2.473 2.703 1.00 73.44 H new ATOM 0 HD23 LEU A 24 13.921 2.818 4.444 1.00 73.44 H new ATOM 377 N GLU A 25 10.911 5.151 4.453 1.00 30.22 N ATOM 378 CA GLU A 25 10.251 6.312 3.892 1.00 12.14 C ATOM 379 C GLU A 25 10.161 6.184 2.360 1.00 12.53 C ATOM 380 O GLU A 25 11.183 6.094 1.677 1.00 33.51 O ATOM 381 CB GLU A 25 11.030 7.572 4.273 1.00 2.22 C ATOM 382 CG GLU A 25 10.290 8.843 3.933 1.00 3.10 C ATOM 383 CD GLU A 25 11.129 10.099 4.113 1.00 11.24 C ATOM 384 OE1 GLU A 25 11.257 10.581 5.259 1.00 31.31 O ATOM 385 OE2 GLU A 25 11.661 10.613 3.103 1.00 32.04 O ATOM 0 H GLU A 25 11.892 5.301 4.687 1.00 30.22 H new ATOM 0 HA GLU A 25 9.239 6.380 4.292 1.00 12.14 H new ATOM 0 HB2 GLU A 25 11.240 7.554 5.342 1.00 2.22 H new ATOM 0 HB3 GLU A 25 11.991 7.568 3.759 1.00 2.22 H new ATOM 0 HG2 GLU A 25 9.947 8.789 2.900 1.00 3.10 H new ATOM 0 HG3 GLU A 25 9.402 8.916 4.560 1.00 3.10 H new ATOM 392 N VAL A 26 8.945 6.168 1.826 1.00 35.34 N ATOM 393 CA VAL A 26 8.734 5.960 0.389 1.00 14.44 C ATOM 394 C VAL A 26 7.731 6.965 -0.194 1.00 72.13 C ATOM 395 O VAL A 26 6.960 7.583 0.535 1.00 43.31 O ATOM 396 CB VAL A 26 8.225 4.523 0.096 1.00 12.32 C ATOM 397 CG1 VAL A 26 9.282 3.480 0.465 1.00 44.30 C ATOM 398 CG2 VAL A 26 6.916 4.254 0.837 1.00 61.44 C ATOM 0 H VAL A 26 8.087 6.296 2.362 1.00 35.34 H new ATOM 0 HA VAL A 26 9.703 6.109 -0.086 1.00 14.44 H new ATOM 0 HB VAL A 26 8.035 4.443 -0.974 1.00 12.32 H new ATOM 0 HG11 VAL A 26 8.899 2.482 0.250 1.00 44.30 H new ATOM 0 HG12 VAL A 26 10.186 3.656 -0.118 1.00 44.30 H new ATOM 0 HG13 VAL A 26 9.515 3.558 1.527 1.00 44.30 H new ATOM 0 HG21 VAL A 26 6.576 3.242 0.619 1.00 61.44 H new ATOM 0 HG22 VAL A 26 7.077 4.359 1.910 1.00 61.44 H new ATOM 0 HG23 VAL A 26 6.160 4.969 0.512 1.00 61.44 H new ATOM 408 N GLU A 27 7.750 7.126 -1.515 1.00 2.42 N ATOM 409 CA GLU A 27 6.764 7.968 -2.199 1.00 15.11 C ATOM 410 C GLU A 27 5.644 7.100 -2.802 1.00 20.34 C ATOM 411 O GLU A 27 5.878 6.311 -3.718 1.00 32.40 O ATOM 412 CB GLU A 27 7.445 8.818 -3.284 1.00 40.44 C ATOM 413 CG GLU A 27 6.515 9.832 -3.942 1.00 14.14 C ATOM 414 CD GLU A 27 7.253 10.823 -4.833 1.00 74.12 C ATOM 415 OE1 GLU A 27 7.844 11.785 -4.296 1.00 51.33 O ATOM 416 OE2 GLU A 27 7.233 10.656 -6.068 1.00 34.51 O ATOM 0 H GLU A 27 8.433 6.688 -2.133 1.00 2.42 H new ATOM 0 HA GLU A 27 6.316 8.644 -1.471 1.00 15.11 H new ATOM 0 HB2 GLU A 27 8.290 9.346 -2.842 1.00 40.44 H new ATOM 0 HB3 GLU A 27 7.848 8.157 -4.051 1.00 40.44 H new ATOM 0 HG2 GLU A 27 5.770 9.302 -4.536 1.00 14.14 H new ATOM 0 HG3 GLU A 27 5.976 10.379 -3.168 1.00 14.14 H new ATOM 423 N VAL A 28 4.435 7.250 -2.266 1.00 54.11 N ATOM 424 CA VAL A 28 3.290 6.404 -2.628 1.00 44.24 C ATOM 425 C VAL A 28 2.502 6.984 -3.813 1.00 14.42 C ATOM 426 O VAL A 28 1.867 8.033 -3.705 1.00 65.05 O ATOM 427 CB VAL A 28 2.331 6.237 -1.422 1.00 14.43 C ATOM 428 CG1 VAL A 28 1.186 5.288 -1.759 1.00 2.22 C ATOM 429 CG2 VAL A 28 3.094 5.768 -0.183 1.00 3.01 C ATOM 0 H VAL A 28 4.217 7.961 -1.568 1.00 54.11 H new ATOM 0 HA VAL A 28 3.694 5.434 -2.919 1.00 44.24 H new ATOM 0 HB VAL A 28 1.896 7.211 -1.198 1.00 14.43 H new ATOM 0 HG11 VAL A 28 0.529 5.189 -0.895 1.00 2.22 H new ATOM 0 HG12 VAL A 28 0.620 5.685 -2.602 1.00 2.22 H new ATOM 0 HG13 VAL A 28 1.589 4.310 -2.022 1.00 2.22 H new ATOM 0 HG21 VAL A 28 2.401 5.658 0.651 1.00 3.01 H new ATOM 0 HG22 VAL A 28 3.569 4.809 -0.390 1.00 3.01 H new ATOM 0 HG23 VAL A 28 3.857 6.503 0.074 1.00 3.01 H new ATOM 439 N ILE A 29 2.538 6.291 -4.944 1.00 3.20 N ATOM 440 CA ILE A 29 1.865 6.761 -6.156 1.00 15.11 C ATOM 441 C ILE A 29 0.488 6.108 -6.331 1.00 31.24 C ATOM 442 O ILE A 29 0.217 5.046 -5.774 1.00 3.43 O ATOM 443 CB ILE A 29 2.712 6.464 -7.415 1.00 23.32 C ATOM 444 CG1 ILE A 29 4.206 6.554 -7.090 1.00 40.21 C ATOM 445 CG2 ILE A 29 2.351 7.443 -8.531 1.00 12.55 C ATOM 446 CD1 ILE A 29 5.100 6.041 -8.195 1.00 75.41 C ATOM 0 H ILE A 29 3.025 5.401 -5.051 1.00 3.20 H new ATOM 0 HA ILE A 29 1.739 7.838 -6.041 1.00 15.11 H new ATOM 0 HB ILE A 29 2.494 5.450 -7.752 1.00 23.32 H new ATOM 0 HG12 ILE A 29 4.461 7.593 -6.881 1.00 40.21 H new ATOM 0 HG13 ILE A 29 4.406 5.987 -6.181 1.00 40.21 H new ATOM 0 HG21 ILE A 29 2.953 7.226 -9.414 1.00 12.55 H new ATOM 0 HG22 ILE A 29 1.294 7.340 -8.778 1.00 12.55 H new ATOM 0 HG23 ILE A 29 2.548 8.462 -8.199 1.00 12.55 H new ATOM 0 HD11 ILE A 29 6.143 6.137 -7.893 1.00 75.41 H new ATOM 0 HD12 ILE A 29 4.873 4.993 -8.389 1.00 75.41 H new ATOM 0 HD13 ILE A 29 4.930 6.623 -9.101 1.00 75.41 H new ATOM 458 N SER A 30 -0.371 6.744 -7.123 1.00 74.14 N ATOM 459 CA SER A 30 -1.686 6.180 -7.457 1.00 34.54 C ATOM 460 C SER A 30 -1.991 6.327 -8.948 1.00 62.34 C ATOM 461 O SER A 30 -2.306 7.416 -9.428 1.00 61.04 O ATOM 462 CB SER A 30 -2.790 6.840 -6.626 1.00 41.42 C ATOM 463 OG SER A 30 -2.634 6.540 -5.250 1.00 13.53 O ATOM 0 H SER A 30 -0.184 7.652 -7.549 1.00 74.14 H new ATOM 0 HA SER A 30 -1.656 5.117 -7.218 1.00 34.54 H new ATOM 0 HB2 SER A 30 -2.765 7.920 -6.772 1.00 41.42 H new ATOM 0 HB3 SER A 30 -3.765 6.495 -6.969 1.00 41.42 H new ATOM 0 HG SER A 30 -2.271 5.635 -5.152 1.00 13.53 H new ATOM 469 N GLY A 31 -1.883 5.222 -9.678 1.00 62.31 N ATOM 470 CA GLY A 31 -2.135 5.244 -11.115 1.00 61.11 C ATOM 471 C GLY A 31 -3.618 5.165 -11.444 1.00 35.22 C ATOM 472 O GLY A 31 -4.277 4.184 -11.095 1.00 53.53 O ATOM 0 H GLY A 31 -1.625 4.309 -9.304 1.00 62.31 H new ATOM 0 HA2 GLY A 31 -1.719 6.157 -11.540 1.00 61.11 H new ATOM 0 HA3 GLY A 31 -1.616 4.409 -11.585 1.00 61.11 H new ATOM 711 N GLU A 47 -13.007 -8.733 -8.985 1.00 15.03 N ATOM 712 CA GLU A 47 -12.049 -7.977 -9.797 1.00 32.34 C ATOM 713 C GLU A 47 -11.480 -6.782 -9.021 1.00 63.12 C ATOM 714 O GLU A 47 -10.276 -6.522 -9.042 1.00 73.21 O ATOM 715 CB GLU A 47 -12.727 -7.487 -11.079 1.00 33.42 C ATOM 716 CG GLU A 47 -13.147 -8.612 -12.012 1.00 45.04 C ATOM 717 CD GLU A 47 -11.960 -9.394 -12.548 1.00 15.34 C ATOM 718 OE1 GLU A 47 -11.368 -8.959 -13.560 1.00 31.44 O ATOM 719 OE2 GLU A 47 -11.601 -10.430 -11.952 1.00 21.43 O ATOM 0 HA GLU A 47 -11.223 -8.641 -10.050 1.00 32.34 H new ATOM 0 HB2 GLU A 47 -13.605 -6.899 -10.814 1.00 33.42 H new ATOM 0 HB3 GLU A 47 -12.046 -6.821 -11.609 1.00 33.42 H new ATOM 0 HG2 GLU A 47 -13.815 -9.290 -11.481 1.00 45.04 H new ATOM 0 HG3 GLU A 47 -13.712 -8.196 -12.847 1.00 45.04 H new ATOM 726 N TYR A 48 -12.358 -6.079 -8.310 1.00 74.15 N ATOM 727 CA TYR A 48 -11.963 -4.913 -7.518 1.00 62.53 C ATOM 728 C TYR A 48 -11.023 -5.334 -6.368 1.00 61.03 C ATOM 729 O TYR A 48 -10.182 -4.556 -5.912 1.00 31.24 O ATOM 730 CB TYR A 48 -13.219 -4.213 -6.960 1.00 72.11 C ATOM 731 CG TYR A 48 -13.102 -2.702 -6.877 1.00 61.31 C ATOM 732 CD1 TYR A 48 -12.342 -2.094 -5.885 1.00 51.43 C ATOM 733 CD2 TYR A 48 -13.752 -1.881 -7.798 1.00 13.23 C ATOM 734 CE1 TYR A 48 -12.230 -0.721 -5.814 1.00 10.15 C ATOM 735 CE2 TYR A 48 -13.645 -0.506 -7.730 1.00 15.02 C ATOM 736 CZ TYR A 48 -12.882 0.070 -6.737 1.00 52.12 C ATOM 737 OH TYR A 48 -12.765 1.440 -6.667 1.00 33.30 O ATOM 0 H TYR A 48 -13.353 -6.297 -8.265 1.00 74.15 H new ATOM 0 HA TYR A 48 -11.424 -4.215 -8.159 1.00 62.53 H new ATOM 0 HB2 TYR A 48 -14.072 -4.466 -7.589 1.00 72.11 H new ATOM 0 HB3 TYR A 48 -13.429 -4.606 -5.965 1.00 72.11 H new ATOM 0 HD1 TYR A 48 -11.830 -2.707 -5.157 1.00 51.43 H new ATOM 0 HD2 TYR A 48 -14.350 -2.329 -8.578 1.00 13.23 H new ATOM 0 HE1 TYR A 48 -11.633 -0.266 -5.037 1.00 10.15 H new ATOM 0 HE2 TYR A 48 -14.156 0.115 -8.451 1.00 15.02 H new ATOM 0 HH TYR A 48 -13.284 1.850 -7.390 1.00 33.30 H new ATOM 747 N PHE A 49 -11.169 -6.585 -5.922 1.00 72.13 N ATOM 748 CA PHE A 49 -10.353 -7.137 -4.829 1.00 44.14 C ATOM 749 C PHE A 49 -8.987 -7.656 -5.339 1.00 51.22 C ATOM 750 O PHE A 49 -8.107 -8.002 -4.551 1.00 42.33 O ATOM 751 CB PHE A 49 -11.130 -8.263 -4.127 1.00 40.44 C ATOM 752 CG PHE A 49 -10.511 -8.732 -2.831 1.00 44.44 C ATOM 753 CD1 PHE A 49 -10.588 -7.948 -1.690 1.00 31.43 C ATOM 754 CD2 PHE A 49 -9.862 -9.958 -2.753 1.00 43.02 C ATOM 755 CE1 PHE A 49 -10.030 -8.372 -0.498 1.00 73.31 C ATOM 756 CE2 PHE A 49 -9.301 -10.387 -1.563 1.00 34.04 C ATOM 757 CZ PHE A 49 -9.386 -9.594 -0.435 1.00 10.23 C ATOM 0 H PHE A 49 -11.850 -7.242 -6.303 1.00 72.13 H new ATOM 0 HA PHE A 49 -10.148 -6.337 -4.118 1.00 44.14 H new ATOM 0 HB2 PHE A 49 -12.145 -7.919 -3.928 1.00 40.44 H new ATOM 0 HB3 PHE A 49 -11.209 -9.112 -4.806 1.00 40.44 H new ATOM 0 HD1 PHE A 49 -11.091 -6.993 -1.733 1.00 31.43 H new ATOM 0 HD2 PHE A 49 -9.795 -10.583 -3.631 1.00 43.02 H new ATOM 0 HE1 PHE A 49 -10.097 -7.750 0.382 1.00 73.31 H new ATOM 0 HE2 PHE A 49 -8.797 -11.341 -1.516 1.00 34.04 H new ATOM 0 HZ PHE A 49 -8.950 -9.928 0.495 1.00 10.23 H new ATOM 767 N ASN A 50 -8.817 -7.713 -6.661 1.00 43.30 N ATOM 768 CA ASN A 50 -7.535 -8.123 -7.267 1.00 54.13 C ATOM 769 C ASN A 50 -6.906 -6.982 -8.095 1.00 70.32 C ATOM 770 O ASN A 50 -5.822 -7.133 -8.661 1.00 13.34 O ATOM 771 CB ASN A 50 -7.733 -9.369 -8.148 1.00 42.30 C ATOM 772 CG ASN A 50 -8.151 -10.587 -7.339 1.00 61.33 C ATOM 773 OD1 ASN A 50 -7.319 -11.353 -6.863 1.00 4.44 O ATOM 774 ND2 ASN A 50 -9.444 -10.778 -7.174 1.00 41.32 N ATOM 0 H ASN A 50 -9.545 -7.482 -7.337 1.00 43.30 H new ATOM 0 HA ASN A 50 -6.849 -8.364 -6.455 1.00 54.13 H new ATOM 0 HB2 ASN A 50 -8.490 -9.160 -8.904 1.00 42.30 H new ATOM 0 HB3 ASN A 50 -6.806 -9.588 -8.678 1.00 42.30 H new ATOM 0 HD21 ASN A 50 -9.777 -11.580 -6.639 1.00 41.32 H new ATOM 0 HD22 ASN A 50 -10.112 -10.124 -7.582 1.00 41.32 H new ATOM 781 N ALA A 51 -7.587 -5.840 -8.151 1.00 45.25 N ATOM 782 CA ALA A 51 -7.122 -4.695 -8.948 1.00 11.34 C ATOM 783 C ALA A 51 -6.327 -3.668 -8.115 1.00 32.31 C ATOM 784 O ALA A 51 -5.211 -3.298 -8.477 1.00 71.34 O ATOM 785 CB ALA A 51 -8.313 -4.016 -9.615 1.00 2.01 C ATOM 0 H ALA A 51 -8.464 -5.677 -7.656 1.00 45.25 H new ATOM 0 HA ALA A 51 -6.440 -5.085 -9.703 1.00 11.34 H new ATOM 0 HB1 ALA A 51 -7.965 -3.168 -10.205 1.00 2.01 H new ATOM 0 HB2 ALA A 51 -8.820 -4.728 -10.267 1.00 2.01 H new ATOM 0 HB3 ALA A 51 -9.007 -3.666 -8.851 1.00 2.01 H new ATOM 791 N VAL A 52 -6.904 -3.214 -6.999 1.00 5.11 N ATOM 792 CA VAL A 52 -6.321 -2.104 -6.211 1.00 4.04 C ATOM 793 C VAL A 52 -5.888 -2.521 -4.791 1.00 31.30 C ATOM 794 O VAL A 52 -5.711 -1.672 -3.919 1.00 1.32 O ATOM 795 CB VAL A 52 -7.343 -0.944 -6.085 1.00 12.40 C ATOM 796 CG1 VAL A 52 -7.690 -0.373 -7.460 1.00 2.13 C ATOM 797 CG2 VAL A 52 -8.603 -1.415 -5.352 1.00 3.25 C ATOM 0 H VAL A 52 -7.771 -3.590 -6.615 1.00 5.11 H new ATOM 0 HA VAL A 52 -5.430 -1.790 -6.754 1.00 4.04 H new ATOM 0 HB VAL A 52 -6.886 -0.147 -5.498 1.00 12.40 H new ATOM 0 HG11 VAL A 52 -8.408 0.439 -7.346 1.00 2.13 H new ATOM 0 HG12 VAL A 52 -6.785 0.007 -7.935 1.00 2.13 H new ATOM 0 HG13 VAL A 52 -8.124 -1.157 -8.081 1.00 2.13 H new ATOM 0 HG21 VAL A 52 -9.309 -0.588 -5.273 1.00 3.25 H new ATOM 0 HG22 VAL A 52 -9.063 -2.232 -5.907 1.00 3.25 H new ATOM 0 HG23 VAL A 52 -8.335 -1.760 -4.353 1.00 3.25 H new ATOM 807 N ASN A 53 -5.691 -3.817 -4.560 1.00 61.30 N ATOM 808 CA ASN A 53 -5.458 -4.327 -3.194 1.00 61.11 C ATOM 809 C ASN A 53 -3.970 -4.601 -2.902 1.00 74.01 C ATOM 810 O ASN A 53 -3.640 -5.302 -1.945 1.00 74.41 O ATOM 811 CB ASN A 53 -6.268 -5.611 -2.971 1.00 63.13 C ATOM 812 CG ASN A 53 -7.772 -5.398 -3.055 1.00 62.23 C ATOM 813 OD1 ASN A 53 -8.533 -6.045 -2.359 1.00 53.53 O ATOM 814 ND2 ASN A 53 -8.225 -4.501 -3.911 1.00 64.32 N ATOM 0 H ASN A 53 -5.686 -4.533 -5.286 1.00 61.30 H new ATOM 0 HA ASN A 53 -5.784 -3.547 -2.506 1.00 61.11 H new ATOM 0 HB2 ASN A 53 -5.971 -6.352 -3.713 1.00 63.13 H new ATOM 0 HB3 ASN A 53 -6.021 -6.023 -1.992 1.00 63.13 H new ATOM 0 HD21 ASN A 53 -9.228 -4.340 -3.998 1.00 64.32 H new ATOM 0 HD22 ASN A 53 -7.572 -3.969 -4.486 1.00 64.32 H new ATOM 821 N TYR A 54 -3.072 -4.024 -3.693 1.00 12.50 N ATOM 822 CA TYR A 54 -1.639 -4.316 -3.561 1.00 44.14 C ATOM 823 C TYR A 54 -0.763 -3.089 -3.840 1.00 62.30 C ATOM 824 O TYR A 54 -1.225 -2.088 -4.388 1.00 75.04 O ATOM 825 CB TYR A 54 -1.253 -5.463 -4.509 1.00 44.13 C ATOM 826 CG TYR A 54 -1.599 -5.193 -5.964 1.00 32.33 C ATOM 827 CD1 TYR A 54 -0.699 -4.551 -6.811 1.00 13.23 C ATOM 828 CD2 TYR A 54 -2.830 -5.574 -6.485 1.00 24.41 C ATOM 829 CE1 TYR A 54 -1.019 -4.298 -8.131 1.00 54.24 C ATOM 830 CE2 TYR A 54 -3.153 -5.327 -7.804 1.00 11.44 C ATOM 831 CZ TYR A 54 -2.246 -4.688 -8.622 1.00 63.14 C ATOM 832 OH TYR A 54 -2.569 -4.436 -9.936 1.00 65.20 O ATOM 0 H TYR A 54 -3.303 -3.356 -4.428 1.00 12.50 H new ATOM 0 HA TYR A 54 -1.460 -4.610 -2.527 1.00 44.14 H new ATOM 0 HB2 TYR A 54 -0.182 -5.646 -4.427 1.00 44.13 H new ATOM 0 HB3 TYR A 54 -1.757 -6.374 -4.187 1.00 44.13 H new ATOM 0 HD1 TYR A 54 0.264 -4.246 -6.430 1.00 13.23 H new ATOM 0 HD2 TYR A 54 -3.546 -6.072 -5.847 1.00 24.41 H new ATOM 0 HE1 TYR A 54 -0.311 -3.797 -8.775 1.00 54.24 H new ATOM 0 HE2 TYR A 54 -4.113 -5.633 -8.194 1.00 11.44 H new ATOM 0 HH TYR A 54 -3.469 -4.775 -10.122 1.00 65.20 H new ATOM 842 N ALA A 55 0.507 -3.189 -3.455 1.00 11.15 N ATOM 843 CA ALA A 55 1.500 -2.140 -3.717 1.00 3.15 C ATOM 844 C ALA A 55 2.787 -2.744 -4.295 1.00 11.14 C ATOM 845 O ALA A 55 3.198 -3.836 -3.897 1.00 73.55 O ATOM 846 CB ALA A 55 1.809 -1.375 -2.434 1.00 31.53 C ATOM 0 H ALA A 55 0.880 -3.995 -2.954 1.00 11.15 H new ATOM 0 HA ALA A 55 1.084 -1.449 -4.450 1.00 3.15 H new ATOM 0 HB1 ALA A 55 2.547 -0.600 -2.641 1.00 31.53 H new ATOM 0 HB2 ALA A 55 0.896 -0.915 -2.056 1.00 31.53 H new ATOM 0 HB3 ALA A 55 2.205 -2.063 -1.687 1.00 31.53 H new ATOM 852 N GLU A 56 3.415 -2.043 -5.236 1.00 23.53 N ATOM 853 CA GLU A 56 4.666 -2.516 -5.848 1.00 61.21 C ATOM 854 C GLU A 56 5.890 -1.804 -5.249 1.00 2.44 C ATOM 855 O GLU A 56 6.027 -0.582 -5.353 1.00 31.14 O ATOM 856 CB GLU A 56 4.624 -2.324 -7.372 1.00 11.02 C ATOM 857 CG GLU A 56 3.484 -3.086 -8.049 1.00 1.51 C ATOM 858 CD GLU A 56 3.557 -3.039 -9.568 1.00 15.53 C ATOM 859 OE1 GLU A 56 3.102 -2.040 -10.162 1.00 75.23 O ATOM 860 OE2 GLU A 56 4.080 -3.999 -10.176 1.00 31.52 O ATOM 0 H GLU A 56 3.084 -1.147 -5.594 1.00 23.53 H new ATOM 0 HA GLU A 56 4.762 -3.580 -5.630 1.00 61.21 H new ATOM 0 HB2 GLU A 56 4.523 -1.262 -7.594 1.00 11.02 H new ATOM 0 HB3 GLU A 56 5.573 -2.650 -7.798 1.00 11.02 H new ATOM 0 HG2 GLU A 56 3.505 -4.126 -7.722 1.00 1.51 H new ATOM 0 HG3 GLU A 56 2.531 -2.668 -7.723 1.00 1.51 H new ATOM 867 N ILE A 57 6.780 -2.584 -4.626 1.00 41.12 N ATOM 868 CA ILE A 57 7.972 -2.050 -3.950 1.00 10.44 C ATOM 869 C ILE A 57 9.264 -2.430 -4.707 1.00 23.32 C ATOM 870 O ILE A 57 9.314 -3.451 -5.398 1.00 51.52 O ATOM 871 CB ILE A 57 8.078 -2.572 -2.481 1.00 13.03 C ATOM 872 CG1 ILE A 57 6.779 -2.307 -1.684 1.00 31.54 C ATOM 873 CG2 ILE A 57 9.269 -1.941 -1.760 1.00 12.43 C ATOM 874 CD1 ILE A 57 5.663 -3.291 -1.967 1.00 61.21 C ATOM 0 H ILE A 57 6.697 -3.599 -4.575 1.00 41.12 H new ATOM 0 HA ILE A 57 7.864 -0.965 -3.939 1.00 10.44 H new ATOM 0 HB ILE A 57 8.229 -3.650 -2.536 1.00 13.03 H new ATOM 0 HG12 ILE A 57 7.009 -2.332 -0.619 1.00 31.54 H new ATOM 0 HG13 ILE A 57 6.427 -1.301 -1.910 1.00 31.54 H new ATOM 0 HG21 ILE A 57 9.320 -2.321 -0.740 1.00 12.43 H new ATOM 0 HG22 ILE A 57 10.189 -2.193 -2.287 1.00 12.43 H new ATOM 0 HG23 ILE A 57 9.149 -0.858 -1.738 1.00 12.43 H new ATOM 0 HD11 ILE A 57 4.790 -3.033 -1.368 1.00 61.21 H new ATOM 0 HD12 ILE A 57 5.402 -3.251 -3.025 1.00 61.21 H new ATOM 0 HD13 ILE A 57 5.993 -4.298 -1.713 1.00 61.21 H new ATOM 886 N ASN A 58 10.298 -1.595 -4.578 1.00 74.21 N ATOM 887 CA ASN A 58 11.610 -1.854 -5.193 1.00 64.11 C ATOM 888 C ASN A 58 12.315 -3.056 -4.528 1.00 65.25 C ATOM 889 O ASN A 58 12.071 -3.355 -3.361 1.00 63.12 O ATOM 890 CB ASN A 58 12.485 -0.597 -5.064 1.00 34.20 C ATOM 891 CG ASN A 58 13.846 -0.745 -5.721 1.00 34.15 C ATOM 892 OD1 ASN A 58 14.793 -1.243 -5.122 1.00 53.45 O ATOM 893 ND2 ASN A 58 13.962 -0.309 -6.955 1.00 15.11 N ATOM 0 H ASN A 58 10.254 -0.724 -4.048 1.00 74.21 H new ATOM 0 HA ASN A 58 11.458 -2.097 -6.245 1.00 64.11 H new ATOM 0 HB2 ASN A 58 11.963 0.249 -5.512 1.00 34.20 H new ATOM 0 HB3 ASN A 58 12.622 -0.364 -4.008 1.00 34.20 H new ATOM 0 HD21 ASN A 58 14.857 -0.380 -7.439 1.00 15.11 H new ATOM 0 HD22 ASN A 58 13.157 0.101 -7.429 1.00 15.11 H new ATOM 900 N GLU A 59 13.197 -3.729 -5.274 1.00 13.44 N ATOM 901 CA GLU A 59 13.935 -4.899 -4.760 1.00 73.33 C ATOM 902 C GLU A 59 14.753 -4.560 -3.497 1.00 75.24 C ATOM 903 O GLU A 59 14.729 -5.294 -2.506 1.00 65.13 O ATOM 904 CB GLU A 59 14.866 -5.450 -5.850 1.00 12.24 C ATOM 905 CG GLU A 59 15.700 -6.653 -5.412 1.00 31.41 C ATOM 906 CD GLU A 59 14.865 -7.891 -5.111 1.00 65.44 C ATOM 907 OE1 GLU A 59 14.311 -7.992 -4.003 1.00 62.32 O ATOM 908 OE2 GLU A 59 14.761 -8.776 -5.985 1.00 73.31 O ATOM 0 H GLU A 59 13.421 -3.487 -6.239 1.00 13.44 H new ATOM 0 HA GLU A 59 13.200 -5.655 -4.484 1.00 73.33 H new ATOM 0 HB2 GLU A 59 14.266 -5.733 -6.715 1.00 12.24 H new ATOM 0 HB3 GLU A 59 15.538 -4.655 -6.174 1.00 12.24 H new ATOM 0 HG2 GLU A 59 16.420 -6.891 -6.195 1.00 31.41 H new ATOM 0 HG3 GLU A 59 16.272 -6.385 -4.524 1.00 31.41 H new ATOM 915 N GLU A 60 15.475 -3.445 -3.539 1.00 33.43 N ATOM 916 CA GLU A 60 16.326 -3.030 -2.419 1.00 13.31 C ATOM 917 C GLU A 60 15.504 -2.772 -1.146 1.00 62.21 C ATOM 918 O GLU A 60 15.851 -3.249 -0.063 1.00 65.10 O ATOM 919 CB GLU A 60 17.120 -1.777 -2.802 1.00 24.22 C ATOM 920 CG GLU A 60 18.024 -1.978 -4.016 1.00 4.43 C ATOM 921 CD GLU A 60 18.864 -0.753 -4.334 1.00 14.45 C ATOM 922 OE1 GLU A 60 19.865 -0.515 -3.620 1.00 31.04 O ATOM 923 OE2 GLU A 60 18.527 -0.016 -5.285 1.00 31.24 O ATOM 0 H GLU A 60 15.491 -2.809 -4.336 1.00 33.43 H new ATOM 0 HA GLU A 60 17.018 -3.845 -2.204 1.00 13.31 H new ATOM 0 HB2 GLU A 60 16.424 -0.964 -3.008 1.00 24.22 H new ATOM 0 HB3 GLU A 60 17.729 -1.468 -1.952 1.00 24.22 H new ATOM 0 HG2 GLU A 60 18.683 -2.828 -3.836 1.00 4.43 H new ATOM 0 HG3 GLU A 60 17.411 -2.227 -4.882 1.00 4.43 H new ATOM 930 N ASP A 61 14.416 -2.016 -1.285 1.00 30.45 N ATOM 931 CA ASP A 61 13.506 -1.756 -0.164 1.00 45.15 C ATOM 932 C ASP A 61 12.803 -3.047 0.292 1.00 3.04 C ATOM 933 O ASP A 61 12.559 -3.256 1.486 1.00 32.31 O ATOM 934 CB ASP A 61 12.469 -0.705 -0.562 1.00 75.05 C ATOM 935 CG ASP A 61 13.115 0.587 -1.020 1.00 15.45 C ATOM 936 OD1 ASP A 61 13.542 1.382 -0.159 1.00 61.05 O ATOM 937 OD2 ASP A 61 13.214 0.804 -2.240 1.00 55.51 O ATOM 0 H ASP A 61 14.141 -1.572 -2.161 1.00 30.45 H new ATOM 0 HA ASP A 61 14.096 -1.379 0.671 1.00 45.15 H new ATOM 0 HB2 ASP A 61 11.842 -1.100 -1.361 1.00 75.05 H new ATOM 0 HB3 ASP A 61 11.815 -0.502 0.286 1.00 75.05 H new ATOM 942 N TRP A 62 12.490 -3.907 -0.673 1.00 20.24 N ATOM 943 CA TRP A 62 11.882 -5.214 -0.404 1.00 70.33 C ATOM 944 C TRP A 62 12.743 -6.029 0.576 1.00 72.44 C ATOM 945 O TRP A 62 12.265 -6.491 1.618 1.00 64.43 O ATOM 946 CB TRP A 62 11.728 -5.977 -1.728 1.00 51.24 C ATOM 947 CG TRP A 62 10.937 -7.242 -1.615 1.00 40.43 C ATOM 948 CD1 TRP A 62 11.397 -8.474 -1.252 1.00 75.11 C ATOM 949 CD2 TRP A 62 9.542 -7.393 -1.879 1.00 11.21 C ATOM 950 NE1 TRP A 62 10.369 -9.381 -1.271 1.00 44.23 N ATOM 951 CE2 TRP A 62 9.221 -8.740 -1.653 1.00 71.24 C ATOM 952 CE3 TRP A 62 8.531 -6.516 -2.282 1.00 34.15 C ATOM 953 CZ2 TRP A 62 7.933 -9.233 -1.817 1.00 72.14 C ATOM 954 CZ3 TRP A 62 7.252 -7.007 -2.442 1.00 52.12 C ATOM 955 CH2 TRP A 62 6.963 -8.354 -2.209 1.00 41.30 C ATOM 0 H TRP A 62 12.649 -3.721 -1.663 1.00 20.24 H new ATOM 0 HA TRP A 62 10.904 -5.063 0.053 1.00 70.33 H new ATOM 0 HB2 TRP A 62 11.248 -5.325 -2.457 1.00 51.24 H new ATOM 0 HB3 TRP A 62 12.719 -6.214 -2.116 1.00 51.24 H new ATOM 0 HD1 TRP A 62 12.419 -8.701 -0.989 1.00 75.11 H new ATOM 0 HE1 TRP A 62 10.447 -10.371 -1.039 1.00 44.23 H new ATOM 0 HE3 TRP A 62 8.747 -5.474 -2.465 1.00 34.15 H new ATOM 0 HZ2 TRP A 62 7.706 -10.274 -1.641 1.00 72.14 H new ATOM 0 HZ3 TRP A 62 6.461 -6.340 -2.752 1.00 52.12 H new ATOM 0 HH2 TRP A 62 5.951 -8.708 -2.342 1.00 41.30 H new ATOM 966 N ASN A 63 14.019 -6.191 0.237 1.00 41.14 N ATOM 967 CA ASN A 63 14.976 -6.880 1.107 1.00 12.00 C ATOM 968 C ASN A 63 15.194 -6.113 2.424 1.00 33.41 C ATOM 969 O ASN A 63 15.403 -6.714 3.479 1.00 71.33 O ATOM 970 CB ASN A 63 16.312 -7.067 0.375 1.00 61.21 C ATOM 971 CG ASN A 63 16.211 -8.053 -0.777 1.00 40.21 C ATOM 972 OD1 ASN A 63 15.456 -9.020 -0.719 1.00 50.24 O ATOM 973 ND2 ASN A 63 16.976 -7.829 -1.825 1.00 71.11 N ATOM 0 H ASN A 63 14.419 -5.853 -0.639 1.00 41.14 H new ATOM 0 HA ASN A 63 14.562 -7.857 1.355 1.00 12.00 H new ATOM 0 HB2 ASN A 63 16.653 -6.104 -0.004 1.00 61.21 H new ATOM 0 HB3 ASN A 63 17.065 -7.415 1.082 1.00 61.21 H new ATOM 0 HD21 ASN A 63 16.952 -8.468 -2.620 1.00 71.11 H new ATOM 0 HD22 ASN A 63 17.592 -7.016 -1.842 1.00 71.11 H new ATOM 980 N ALA A 64 15.137 -4.783 2.359 1.00 24.55 N ATOM 981 CA ALA A 64 15.317 -3.937 3.547 1.00 11.14 C ATOM 982 C ALA A 64 14.259 -4.228 4.626 1.00 21.12 C ATOM 983 O ALA A 64 14.576 -4.324 5.816 1.00 14.10 O ATOM 984 CB ALA A 64 15.284 -2.466 3.154 1.00 32.30 C ATOM 0 H ALA A 64 14.968 -4.264 1.497 1.00 24.55 H new ATOM 0 HA ALA A 64 16.291 -4.173 3.975 1.00 11.14 H new ATOM 0 HB1 ALA A 64 15.418 -1.849 4.042 1.00 32.30 H new ATOM 0 HB2 ALA A 64 16.086 -2.261 2.445 1.00 32.30 H new ATOM 0 HB3 ALA A 64 14.324 -2.234 2.693 1.00 32.30 H new ATOM 990 N LEU A 65 13.003 -4.369 4.203 1.00 20.14 N ATOM 991 CA LEU A 65 11.900 -4.693 5.122 1.00 5.05 C ATOM 992 C LEU A 65 11.782 -6.208 5.370 1.00 21.02 C ATOM 993 O LEU A 65 11.028 -6.648 6.242 1.00 60.45 O ATOM 994 CB LEU A 65 10.578 -4.157 4.554 1.00 42.33 C ATOM 995 CG LEU A 65 10.503 -2.631 4.381 1.00 15.34 C ATOM 996 CD1 LEU A 65 9.213 -2.232 3.671 1.00 31.42 C ATOM 997 CD2 LEU A 65 10.617 -1.922 5.731 1.00 25.34 C ATOM 0 H LEU A 65 12.719 -4.265 3.229 1.00 20.14 H new ATOM 0 HA LEU A 65 12.116 -4.217 6.078 1.00 5.05 H new ATOM 0 HB2 LEU A 65 10.403 -4.624 3.585 1.00 42.33 H new ATOM 0 HB3 LEU A 65 9.767 -4.471 5.210 1.00 42.33 H new ATOM 0 HG LEU A 65 11.345 -2.319 3.763 1.00 15.34 H new ATOM 0 HD11 LEU A 65 9.180 -1.148 3.559 1.00 31.42 H new ATOM 0 HD12 LEU A 65 9.179 -2.700 2.687 1.00 31.42 H new ATOM 0 HD13 LEU A 65 8.357 -2.562 4.259 1.00 31.42 H new ATOM 0 HD21 LEU A 65 10.561 -0.844 5.582 1.00 25.34 H new ATOM 0 HD22 LEU A 65 9.801 -2.241 6.380 1.00 25.34 H new ATOM 0 HD23 LEU A 65 11.570 -2.175 6.196 1.00 25.34 H new ATOM 1009 N GLY A 66 12.530 -7.002 4.603 1.00 75.51 N ATOM 1010 CA GLY A 66 12.447 -8.457 4.715 1.00 21.05 C ATOM 1011 C GLY A 66 11.110 -9.008 4.229 1.00 44.44 C ATOM 1012 O GLY A 66 10.489 -9.850 4.887 1.00 73.45 O ATOM 0 H GLY A 66 13.193 -6.666 3.905 1.00 75.51 H new ATOM 0 HA2 GLY A 66 13.253 -8.909 4.137 1.00 21.05 H new ATOM 0 HA3 GLY A 66 12.599 -8.747 5.755 1.00 21.05 H new ATOM 1016 N LEU A 67 10.661 -8.526 3.075 1.00 25.11 N ATOM 1017 CA LEU A 67 9.363 -8.920 2.520 1.00 30.24 C ATOM 1018 C LEU A 67 9.445 -10.245 1.742 1.00 11.31 C ATOM 1019 O LEU A 67 10.529 -10.730 1.413 1.00 41.24 O ATOM 1020 CB LEU A 67 8.828 -7.808 1.610 1.00 3.15 C ATOM 1021 CG LEU A 67 8.698 -6.423 2.269 1.00 41.03 C ATOM 1022 CD1 LEU A 67 8.157 -5.396 1.277 1.00 32.52 C ATOM 1023 CD2 LEU A 67 7.816 -6.501 3.514 1.00 55.50 C ATOM 0 H LEU A 67 11.176 -7.859 2.501 1.00 25.11 H new ATOM 0 HA LEU A 67 8.679 -9.074 3.355 1.00 30.24 H new ATOM 0 HB2 LEU A 67 9.486 -7.720 0.746 1.00 3.15 H new ATOM 0 HB3 LEU A 67 7.849 -8.107 1.236 1.00 3.15 H new ATOM 0 HG LEU A 67 9.691 -6.097 2.577 1.00 41.03 H new ATOM 0 HD11 LEU A 67 8.074 -4.426 1.767 1.00 32.52 H new ATOM 0 HD12 LEU A 67 8.836 -5.317 0.428 1.00 32.52 H new ATOM 0 HD13 LEU A 67 7.174 -5.711 0.927 1.00 32.52 H new ATOM 0 HD21 LEU A 67 7.736 -5.512 3.966 1.00 55.50 H new ATOM 0 HD22 LEU A 67 6.823 -6.854 3.235 1.00 55.50 H new ATOM 0 HD23 LEU A 67 8.259 -7.193 4.231 1.00 55.50 H new ATOM 1035 N GLN A 68 8.282 -10.815 1.444 1.00 71.51 N ATOM 1036 CA GLN A 68 8.185 -12.092 0.731 1.00 2.33 C ATOM 1037 C GLN A 68 6.932 -12.105 -0.145 1.00 43.33 C ATOM 1038 O GLN A 68 5.820 -11.979 0.359 1.00 20.04 O ATOM 1039 CB GLN A 68 8.137 -13.253 1.726 1.00 2.43 C ATOM 1040 CG GLN A 68 8.110 -14.632 1.076 1.00 43.41 C ATOM 1041 CD GLN A 68 8.197 -15.757 2.093 1.00 2.40 C ATOM 1042 OE1 GLN A 68 9.280 -16.233 2.426 1.00 25.13 O ATOM 1043 NE2 GLN A 68 7.064 -16.185 2.606 1.00 1.32 N ATOM 0 H GLN A 68 7.379 -10.408 1.688 1.00 71.51 H new ATOM 0 HA GLN A 68 9.065 -12.208 0.099 1.00 2.33 H new ATOM 0 HB2 GLN A 68 9.005 -13.190 2.383 1.00 2.43 H new ATOM 0 HB3 GLN A 68 7.253 -13.142 2.354 1.00 2.43 H new ATOM 0 HG2 GLN A 68 7.192 -14.740 0.498 1.00 43.41 H new ATOM 0 HG3 GLN A 68 8.940 -14.716 0.375 1.00 43.41 H new ATOM 0 HE21 GLN A 68 6.181 -15.770 2.309 1.00 1.32 H new ATOM 0 HE22 GLN A 68 7.069 -16.932 3.300 1.00 1.32 H new ATOM 1052 N GLU A 69 7.125 -12.293 -1.447 1.00 50.04 N ATOM 1053 CA GLU A 69 6.056 -12.112 -2.443 1.00 74.21 C ATOM 1054 C GLU A 69 4.722 -12.739 -2.021 1.00 33.54 C ATOM 1055 O GLU A 69 4.502 -13.945 -2.168 1.00 13.03 O ATOM 1056 CB GLU A 69 6.507 -12.659 -3.799 1.00 71.34 C ATOM 1057 CG GLU A 69 7.635 -11.847 -4.417 1.00 10.20 C ATOM 1058 CD GLU A 69 8.161 -12.451 -5.707 1.00 20.01 C ATOM 1059 OE1 GLU A 69 7.591 -12.163 -6.779 1.00 11.51 O ATOM 1060 OE2 GLU A 69 9.144 -13.221 -5.651 1.00 43.22 O ATOM 0 H GLU A 69 8.020 -12.574 -1.847 1.00 50.04 H new ATOM 0 HA GLU A 69 5.874 -11.040 -2.522 1.00 74.21 H new ATOM 0 HB2 GLU A 69 6.833 -13.692 -3.679 1.00 71.34 H new ATOM 0 HB3 GLU A 69 5.657 -12.670 -4.482 1.00 71.34 H new ATOM 0 HG2 GLU A 69 7.282 -10.835 -4.614 1.00 10.20 H new ATOM 0 HG3 GLU A 69 8.452 -11.766 -3.700 1.00 10.20 H new ATOM 1067 N GLY A 70 3.839 -11.889 -1.495 1.00 75.32 N ATOM 1068 CA GLY A 70 2.540 -12.335 -1.001 1.00 43.43 C ATOM 1069 C GLY A 70 2.266 -11.943 0.455 1.00 15.14 C ATOM 1070 O GLY A 70 1.175 -12.198 0.969 1.00 42.30 O ATOM 0 H GLY A 70 4.002 -10.887 -1.401 1.00 75.32 H new ATOM 0 HA2 GLY A 70 1.757 -11.916 -1.634 1.00 43.43 H new ATOM 0 HA3 GLY A 70 2.479 -13.419 -1.094 1.00 43.43 H new ATOM 1074 N ASP A 71 3.243 -11.333 1.130 1.00 61.00 N ATOM 1075 CA ASP A 71 3.073 -10.938 2.535 1.00 24.54 C ATOM 1076 C ASP A 71 2.278 -9.621 2.675 1.00 34.40 C ATOM 1077 O ASP A 71 1.793 -9.059 1.689 1.00 51.31 O ATOM 1078 CB ASP A 71 4.440 -10.822 3.224 1.00 33.44 C ATOM 1079 CG ASP A 71 5.243 -9.620 2.758 1.00 63.22 C ATOM 1080 OD1 ASP A 71 5.647 -9.584 1.583 1.00 23.11 O ATOM 1081 OD2 ASP A 71 5.501 -8.725 3.587 1.00 51.15 O ATOM 0 H ASP A 71 4.154 -11.102 0.733 1.00 61.00 H new ATOM 0 HA ASP A 71 2.492 -11.718 3.028 1.00 24.54 H new ATOM 0 HB2 ASP A 71 4.292 -10.757 4.302 1.00 33.44 H new ATOM 0 HB3 ASP A 71 5.013 -11.730 3.035 1.00 33.44 H new ATOM 1086 N ARG A 72 2.136 -9.149 3.916 1.00 51.05 N ATOM 1087 CA ARG A 72 1.341 -7.946 4.218 1.00 1.15 C ATOM 1088 C ARG A 72 2.234 -6.746 4.577 1.00 50.31 C ATOM 1089 O ARG A 72 3.035 -6.809 5.516 1.00 41.23 O ATOM 1090 CB ARG A 72 0.369 -8.218 5.385 1.00 51.32 C ATOM 1091 CG ARG A 72 -0.869 -9.048 5.030 1.00 13.30 C ATOM 1092 CD ARG A 72 -0.525 -10.448 4.529 1.00 42.01 C ATOM 1093 NE ARG A 72 -1.722 -11.275 4.364 1.00 61.34 N ATOM 1094 CZ ARG A 72 -1.853 -12.209 3.459 1.00 35.34 C ATOM 1095 NH1 ARG A 72 -0.918 -12.424 2.594 1.00 1.55 N ATOM 1096 NH2 ARG A 72 -2.932 -12.925 3.421 1.00 13.02 N ATOM 0 H ARG A 72 2.562 -9.582 4.735 1.00 51.05 H new ATOM 0 HA ARG A 72 0.778 -7.702 3.317 1.00 1.15 H new ATOM 0 HB2 ARG A 72 0.914 -8.731 6.177 1.00 51.32 H new ATOM 0 HB3 ARG A 72 0.040 -7.262 5.792 1.00 51.32 H new ATOM 0 HG2 ARG A 72 -1.509 -9.130 5.909 1.00 13.30 H new ATOM 0 HG3 ARG A 72 -1.443 -8.525 4.265 1.00 13.30 H new ATOM 0 HD2 ARG A 72 0.000 -10.375 3.577 1.00 42.01 H new ATOM 0 HD3 ARG A 72 0.155 -10.929 5.232 1.00 42.01 H new ATOM 0 HE ARG A 72 -2.505 -11.112 4.997 1.00 61.34 H new ATOM 0 HH11 ARG A 72 -0.067 -11.862 2.613 1.00 1.55 H new ATOM 0 HH12 ARG A 72 -1.031 -13.156 1.892 1.00 1.55 H new ATOM 0 HH21 ARG A 72 -3.678 -12.760 4.097 1.00 13.02 H new ATOM 0 HH22 ARG A 72 -3.036 -13.654 2.715 1.00 13.02 H new ATOM 1110 N VAL A 73 2.074 -5.647 3.842 1.00 61.15 N ATOM 1111 CA VAL A 73 2.797 -4.405 4.139 1.00 32.51 C ATOM 1112 C VAL A 73 1.838 -3.280 4.549 1.00 1.00 C ATOM 1113 O VAL A 73 0.715 -3.184 4.053 1.00 64.30 O ATOM 1114 CB VAL A 73 3.655 -3.926 2.939 1.00 30.25 C ATOM 1115 CG1 VAL A 73 4.834 -4.868 2.710 1.00 50.45 C ATOM 1116 CG2 VAL A 73 2.807 -3.794 1.672 1.00 42.05 C ATOM 0 H VAL A 73 1.451 -5.588 3.036 1.00 61.15 H new ATOM 0 HA VAL A 73 3.461 -4.635 4.972 1.00 32.51 H new ATOM 0 HB VAL A 73 4.049 -2.938 3.179 1.00 30.25 H new ATOM 0 HG11 VAL A 73 5.423 -4.514 1.864 1.00 50.45 H new ATOM 0 HG12 VAL A 73 5.459 -4.892 3.603 1.00 50.45 H new ATOM 0 HG13 VAL A 73 4.463 -5.871 2.500 1.00 50.45 H new ATOM 0 HG21 VAL A 73 3.435 -3.457 0.847 1.00 42.05 H new ATOM 0 HG22 VAL A 73 2.371 -4.762 1.424 1.00 42.05 H new ATOM 0 HG23 VAL A 73 2.010 -3.070 1.841 1.00 42.05 H new ATOM 1126 N LYS A 74 2.293 -2.440 5.467 1.00 4.13 N ATOM 1127 CA LYS A 74 1.510 -1.298 5.936 1.00 32.11 C ATOM 1128 C LYS A 74 2.109 0.016 5.415 1.00 32.41 C ATOM 1129 O LYS A 74 3.324 0.135 5.256 1.00 73.23 O ATOM 1130 CB LYS A 74 1.462 -1.308 7.468 1.00 11.21 C ATOM 1131 CG LYS A 74 0.707 -0.139 8.092 1.00 51.22 C ATOM 1132 CD LYS A 74 0.754 -0.195 9.620 1.00 14.45 C ATOM 1133 CE LYS A 74 -0.113 -1.309 10.189 1.00 32.23 C ATOM 1134 NZ LYS A 74 -1.563 -1.032 10.004 1.00 23.05 N ATOM 0 H LYS A 74 3.209 -2.527 5.908 1.00 4.13 H new ATOM 0 HA LYS A 74 0.493 -1.376 5.550 1.00 32.11 H new ATOM 0 HB2 LYS A 74 0.999 -2.238 7.797 1.00 11.21 H new ATOM 0 HB3 LYS A 74 2.483 -1.308 7.849 1.00 11.21 H new ATOM 0 HG2 LYS A 74 1.139 0.800 7.748 1.00 51.22 H new ATOM 0 HG3 LYS A 74 -0.330 -0.154 7.758 1.00 51.22 H new ATOM 0 HD2 LYS A 74 1.785 -0.340 9.944 1.00 14.45 H new ATOM 0 HD3 LYS A 74 0.424 0.761 10.026 1.00 14.45 H new ATOM 0 HE2 LYS A 74 0.142 -2.251 9.704 1.00 32.23 H new ATOM 0 HE3 LYS A 74 0.101 -1.429 11.251 1.00 32.23 H new ATOM 0 HZ1 LYS A 74 -2.121 -1.751 10.507 1.00 23.05 H new ATOM 0 HZ2 LYS A 74 -1.788 -0.091 10.385 1.00 23.05 H new ATOM 0 HZ3 LYS A 74 -1.795 -1.060 8.991 1.00 23.05 H new ATOM 1148 N VAL A 75 1.248 0.992 5.156 1.00 54.44 N ATOM 1149 CA VAL A 75 1.653 2.269 4.559 1.00 2.20 C ATOM 1150 C VAL A 75 1.085 3.448 5.362 1.00 51.25 C ATOM 1151 O VAL A 75 -0.109 3.489 5.642 1.00 62.22 O ATOM 1152 CB VAL A 75 1.173 2.379 3.087 1.00 43.01 C ATOM 1153 CG1 VAL A 75 1.593 3.713 2.469 1.00 1.44 C ATOM 1154 CG2 VAL A 75 1.698 1.211 2.255 1.00 14.41 C ATOM 0 H VAL A 75 0.249 0.926 5.352 1.00 54.44 H new ATOM 0 HA VAL A 75 2.742 2.305 4.580 1.00 2.20 H new ATOM 0 HB VAL A 75 0.084 2.336 3.088 1.00 43.01 H new ATOM 0 HG11 VAL A 75 1.243 3.762 1.438 1.00 1.44 H new ATOM 0 HG12 VAL A 75 1.156 4.532 3.040 1.00 1.44 H new ATOM 0 HG13 VAL A 75 2.680 3.797 2.488 1.00 1.44 H new ATOM 0 HG21 VAL A 75 1.348 1.310 1.227 1.00 14.41 H new ATOM 0 HG22 VAL A 75 2.788 1.215 2.269 1.00 14.41 H new ATOM 0 HG23 VAL A 75 1.333 0.273 2.674 1.00 14.41 H new ATOM 1164 N LYS A 76 1.942 4.401 5.721 1.00 73.21 N ATOM 1165 CA LYS A 76 1.548 5.534 6.577 1.00 71.01 C ATOM 1166 C LYS A 76 1.998 6.884 5.992 1.00 75.13 C ATOM 1167 O LYS A 76 3.177 7.087 5.704 1.00 32.11 O ATOM 1168 CB LYS A 76 2.156 5.346 7.972 1.00 30.34 C ATOM 1169 CG LYS A 76 1.493 4.240 8.794 1.00 32.23 C ATOM 1170 CD LYS A 76 2.482 3.563 9.735 1.00 10.23 C ATOM 1171 CE LYS A 76 1.781 2.840 10.880 1.00 34.51 C ATOM 1172 NZ LYS A 76 2.751 2.199 11.807 1.00 51.12 N ATOM 0 H LYS A 76 2.921 4.417 5.434 1.00 73.21 H new ATOM 0 HA LYS A 76 0.460 5.550 6.635 1.00 71.01 H new ATOM 0 HB2 LYS A 76 3.217 5.121 7.867 1.00 30.34 H new ATOM 0 HB3 LYS A 76 2.082 6.286 8.519 1.00 30.34 H new ATOM 0 HG2 LYS A 76 0.671 4.661 9.373 1.00 32.23 H new ATOM 0 HG3 LYS A 76 1.063 3.497 8.123 1.00 32.23 H new ATOM 0 HD2 LYS A 76 3.087 2.851 9.173 1.00 10.23 H new ATOM 0 HD3 LYS A 76 3.164 4.310 10.142 1.00 10.23 H new ATOM 0 HE2 LYS A 76 1.164 3.548 11.433 1.00 34.51 H new ATOM 0 HE3 LYS A 76 1.111 2.082 10.475 1.00 34.51 H new ATOM 0 HZ1 LYS A 76 2.274 1.446 12.343 1.00 51.12 H new ATOM 0 HZ2 LYS A 76 3.536 1.791 11.260 1.00 51.12 H new ATOM 0 HZ3 LYS A 76 3.123 2.911 12.467 1.00 51.12 H new ATOM 1186 N THR A 77 1.050 7.806 5.826 1.00 2.51 N ATOM 1187 CA THR A 77 1.347 9.164 5.332 1.00 20.12 C ATOM 1188 C THR A 77 0.788 10.221 6.293 1.00 52.21 C ATOM 1189 O THR A 77 0.345 9.897 7.394 1.00 60.14 O ATOM 1190 CB THR A 77 0.739 9.421 3.932 1.00 24.13 C ATOM 1191 OG1 THR A 77 -0.694 9.446 4.023 1.00 62.35 O ATOM 1192 CG2 THR A 77 1.170 8.357 2.929 1.00 51.13 C ATOM 0 H THR A 77 0.063 7.643 6.026 1.00 2.51 H new ATOM 0 HA THR A 77 2.433 9.238 5.268 1.00 20.12 H new ATOM 0 HB THR A 77 1.106 10.385 3.579 1.00 24.13 H new ATOM 0 HG1 THR A 77 -1.078 9.486 3.122 1.00 62.35 H new ATOM 0 HG21 THR A 77 0.724 8.571 1.958 1.00 51.13 H new ATOM 0 HG22 THR A 77 2.256 8.361 2.838 1.00 51.13 H new ATOM 0 HG23 THR A 77 0.839 7.377 3.273 1.00 51.13 H new ATOM 1200 N GLU A 78 0.820 11.491 5.885 1.00 63.13 N ATOM 1201 CA GLU A 78 0.220 12.568 6.688 1.00 45.53 C ATOM 1202 C GLU A 78 -1.317 12.578 6.563 1.00 22.22 C ATOM 1203 O GLU A 78 -2.004 13.330 7.258 1.00 33.34 O ATOM 1204 CB GLU A 78 0.804 13.930 6.283 1.00 22.20 C ATOM 1205 CG GLU A 78 0.602 14.290 4.816 1.00 34.02 C ATOM 1206 CD GLU A 78 1.201 15.642 4.463 1.00 14.24 C ATOM 1207 OE1 GLU A 78 2.399 15.695 4.097 1.00 34.13 O ATOM 1208 OE2 GLU A 78 0.488 16.660 4.564 1.00 35.30 O ATOM 0 H GLU A 78 1.249 11.801 5.013 1.00 63.13 H new ATOM 0 HA GLU A 78 0.465 12.379 7.733 1.00 45.53 H new ATOM 0 HB2 GLU A 78 0.350 14.705 6.901 1.00 22.20 H new ATOM 0 HB3 GLU A 78 1.872 13.933 6.502 1.00 22.20 H new ATOM 0 HG2 GLU A 78 1.055 13.521 4.190 1.00 34.02 H new ATOM 0 HG3 GLU A 78 -0.464 14.298 4.590 1.00 34.02 H new ATOM 1215 N PHE A 79 -1.849 11.736 5.677 1.00 55.35 N ATOM 1216 CA PHE A 79 -3.300 11.601 5.497 1.00 21.02 C ATOM 1217 C PHE A 79 -3.859 10.484 6.393 1.00 12.01 C ATOM 1218 O PHE A 79 -4.695 10.732 7.268 1.00 31.11 O ATOM 1219 CB PHE A 79 -3.626 11.306 4.025 1.00 61.12 C ATOM 1220 CG PHE A 79 -3.212 12.407 3.077 1.00 43.23 C ATOM 1221 CD1 PHE A 79 -1.893 12.524 2.658 1.00 45.35 C ATOM 1222 CD2 PHE A 79 -4.142 13.323 2.611 1.00 12.32 C ATOM 1223 CE1 PHE A 79 -1.513 13.534 1.793 1.00 72.03 C ATOM 1224 CE2 PHE A 79 -3.767 14.333 1.746 1.00 51.01 C ATOM 1225 CZ PHE A 79 -2.452 14.439 1.336 1.00 63.53 C ATOM 0 H PHE A 79 -1.296 11.133 5.068 1.00 55.35 H new ATOM 0 HA PHE A 79 -3.769 12.542 5.785 1.00 21.02 H new ATOM 0 HB2 PHE A 79 -3.131 10.381 3.731 1.00 61.12 H new ATOM 0 HB3 PHE A 79 -4.699 11.138 3.926 1.00 61.12 H new ATOM 0 HD1 PHE A 79 -1.156 11.818 3.012 1.00 45.35 H new ATOM 0 HD2 PHE A 79 -5.172 13.246 2.928 1.00 12.32 H new ATOM 0 HE1 PHE A 79 -0.484 13.615 1.475 1.00 72.03 H new ATOM 0 HE2 PHE A 79 -4.502 15.040 1.390 1.00 51.01 H new ATOM 0 HZ PHE A 79 -2.158 15.228 0.659 1.00 63.53 H new ATOM 1235 N GLY A 80 -3.378 9.261 6.178 1.00 60.02 N ATOM 1236 CA GLY A 80 -3.840 8.116 6.962 1.00 73.25 C ATOM 1237 C GLY A 80 -2.907 6.912 6.857 1.00 1.13 C ATOM 1238 O GLY A 80 -1.685 7.073 6.783 1.00 63.42 O ATOM 0 H GLY A 80 -2.675 9.038 5.474 1.00 60.02 H new ATOM 0 HA2 GLY A 80 -3.930 8.410 8.008 1.00 73.25 H new ATOM 0 HA3 GLY A 80 -4.836 7.829 6.625 1.00 73.25 H new ATOM 1242 N GLU A 81 -3.471 5.704 6.860 1.00 12.54 N ATOM 1243 CA GLU A 81 -2.670 4.480 6.739 1.00 2.32 C ATOM 1244 C GLU A 81 -3.501 3.327 6.148 1.00 41.12 C ATOM 1245 O GLU A 81 -4.734 3.360 6.182 1.00 52.03 O ATOM 1246 CB GLU A 81 -2.072 4.091 8.109 1.00 52.43 C ATOM 1247 CG GLU A 81 -3.075 3.548 9.131 1.00 50.44 C ATOM 1248 CD GLU A 81 -3.240 2.033 9.067 1.00 3.32 C ATOM 1249 OE1 GLU A 81 -2.258 1.320 9.346 1.00 33.32 O ATOM 1250 OE2 GLU A 81 -4.343 1.552 8.738 1.00 51.53 O ATOM 0 H GLU A 81 -4.475 5.544 6.944 1.00 12.54 H new ATOM 0 HA GLU A 81 -1.848 4.676 6.050 1.00 2.32 H new ATOM 0 HB2 GLU A 81 -1.299 3.340 7.949 1.00 52.43 H new ATOM 0 HB3 GLU A 81 -1.582 4.967 8.535 1.00 52.43 H new ATOM 0 HG2 GLU A 81 -2.751 3.829 10.133 1.00 50.44 H new ATOM 0 HG3 GLU A 81 -4.044 4.020 8.965 1.00 50.44 H new ATOM 1257 N VAL A 82 -2.823 2.318 5.596 1.00 62.42 N ATOM 1258 CA VAL A 82 -3.504 1.151 5.012 1.00 33.22 C ATOM 1259 C VAL A 82 -2.580 -0.086 4.952 1.00 43.24 C ATOM 1260 O VAL A 82 -1.369 0.039 4.752 1.00 43.00 O ATOM 1261 CB VAL A 82 -4.037 1.475 3.589 1.00 22.24 C ATOM 1262 CG1 VAL A 82 -2.890 1.670 2.594 1.00 24.23 C ATOM 1263 CG2 VAL A 82 -5.015 0.401 3.107 1.00 21.51 C ATOM 0 H VAL A 82 -1.805 2.282 5.539 1.00 62.42 H new ATOM 0 HA VAL A 82 -4.344 0.916 5.665 1.00 33.22 H new ATOM 0 HB VAL A 82 -4.582 2.417 3.648 1.00 22.24 H new ATOM 0 HG11 VAL A 82 -3.298 1.895 1.608 1.00 24.23 H new ATOM 0 HG12 VAL A 82 -2.259 2.496 2.923 1.00 24.23 H new ATOM 0 HG13 VAL A 82 -2.295 0.758 2.541 1.00 24.23 H new ATOM 0 HG21 VAL A 82 -5.371 0.655 2.109 1.00 21.51 H new ATOM 0 HG22 VAL A 82 -4.510 -0.564 3.077 1.00 21.51 H new ATOM 0 HG23 VAL A 82 -5.862 0.346 3.791 1.00 21.51 H new ATOM 1273 N VAL A 83 -3.157 -1.275 5.161 1.00 30.23 N ATOM 1274 CA VAL A 83 -2.424 -2.546 5.021 1.00 15.50 C ATOM 1275 C VAL A 83 -2.835 -3.268 3.725 1.00 11.35 C ATOM 1276 O VAL A 83 -4.003 -3.630 3.553 1.00 61.34 O ATOM 1277 CB VAL A 83 -2.681 -3.491 6.230 1.00 22.11 C ATOM 1278 CG1 VAL A 83 -1.803 -4.741 6.149 1.00 0.24 C ATOM 1279 CG2 VAL A 83 -2.460 -2.763 7.554 1.00 71.13 C ATOM 0 H VAL A 83 -4.135 -1.387 5.429 1.00 30.23 H new ATOM 0 HA VAL A 83 -1.362 -2.302 4.987 1.00 15.50 H new ATOM 0 HB VAL A 83 -3.724 -3.806 6.186 1.00 22.11 H new ATOM 0 HG11 VAL A 83 -2.004 -5.383 7.007 1.00 0.24 H new ATOM 0 HG12 VAL A 83 -2.026 -5.283 5.230 1.00 0.24 H new ATOM 0 HG13 VAL A 83 -0.753 -4.449 6.153 1.00 0.24 H new ATOM 0 HG21 VAL A 83 -2.647 -3.448 8.381 1.00 71.13 H new ATOM 0 HG22 VAL A 83 -1.432 -2.404 7.605 1.00 71.13 H new ATOM 0 HG23 VAL A 83 -3.143 -1.917 7.622 1.00 71.13 H new ATOM 1289 N VAL A 84 -1.872 -3.478 2.820 1.00 72.44 N ATOM 1290 CA VAL A 84 -2.145 -4.095 1.508 1.00 25.15 C ATOM 1291 C VAL A 84 -1.207 -5.284 1.221 1.00 64.02 C ATOM 1292 O VAL A 84 -0.308 -5.587 2.007 1.00 42.44 O ATOM 1293 CB VAL A 84 -2.000 -3.059 0.357 1.00 11.34 C ATOM 1294 CG1 VAL A 84 -3.010 -1.922 0.512 1.00 3.53 C ATOM 1295 CG2 VAL A 84 -0.572 -2.512 0.290 1.00 5.42 C ATOM 0 H VAL A 84 -0.894 -3.231 2.969 1.00 72.44 H new ATOM 0 HA VAL A 84 -3.172 -4.457 1.551 1.00 25.15 H new ATOM 0 HB VAL A 84 -2.211 -3.571 -0.582 1.00 11.34 H new ATOM 0 HG11 VAL A 84 -2.887 -1.212 -0.306 1.00 3.53 H new ATOM 0 HG12 VAL A 84 -4.021 -2.328 0.491 1.00 3.53 H new ATOM 0 HG13 VAL A 84 -2.843 -1.414 1.462 1.00 3.53 H new ATOM 0 HG21 VAL A 84 -0.497 -1.790 -0.523 1.00 5.42 H new ATOM 0 HG22 VAL A 84 -0.325 -2.024 1.233 1.00 5.42 H new ATOM 0 HG23 VAL A 84 0.124 -3.332 0.112 1.00 5.42 H new ATOM 1305 N PHE A 85 -1.426 -5.956 0.083 1.00 12.34 N ATOM 1306 CA PHE A 85 -0.552 -7.059 -0.352 1.00 12.33 C ATOM 1307 C PHE A 85 0.739 -6.528 -1.002 1.00 4.10 C ATOM 1308 O PHE A 85 0.716 -5.548 -1.752 1.00 35.20 O ATOM 1309 CB PHE A 85 -1.287 -7.976 -1.344 1.00 12.14 C ATOM 1310 CG PHE A 85 -2.480 -8.693 -0.756 1.00 11.54 C ATOM 1311 CD1 PHE A 85 -2.305 -9.793 0.074 1.00 73.44 C ATOM 1312 CD2 PHE A 85 -3.772 -8.270 -1.034 1.00 1.13 C ATOM 1313 CE1 PHE A 85 -3.395 -10.453 0.611 1.00 51.04 C ATOM 1314 CE2 PHE A 85 -4.863 -8.927 -0.500 1.00 41.43 C ATOM 1315 CZ PHE A 85 -4.676 -10.021 0.323 1.00 64.11 C ATOM 0 H PHE A 85 -2.198 -5.758 -0.553 1.00 12.34 H new ATOM 0 HA PHE A 85 -0.284 -7.631 0.536 1.00 12.33 H new ATOM 0 HB2 PHE A 85 -1.618 -7.381 -2.195 1.00 12.14 H new ATOM 0 HB3 PHE A 85 -0.584 -8.716 -1.727 1.00 12.14 H new ATOM 0 HD1 PHE A 85 -1.307 -10.136 0.302 1.00 73.44 H new ATOM 0 HD2 PHE A 85 -3.926 -7.416 -1.676 1.00 1.13 H new ATOM 0 HE1 PHE A 85 -3.245 -11.306 1.256 1.00 51.04 H new ATOM 0 HE2 PHE A 85 -5.862 -8.586 -0.726 1.00 41.43 H new ATOM 0 HZ PHE A 85 -5.528 -10.537 0.740 1.00 64.11 H new ATOM 1325 N ALA A 86 1.861 -7.189 -0.724 1.00 63.24 N ATOM 1326 CA ALA A 86 3.166 -6.753 -1.239 1.00 41.13 C ATOM 1327 C ALA A 86 3.528 -7.415 -2.584 1.00 43.14 C ATOM 1328 O ALA A 86 3.519 -8.642 -2.717 1.00 15.31 O ATOM 1329 CB ALA A 86 4.249 -7.034 -0.204 1.00 63.01 C ATOM 0 H ALA A 86 1.897 -8.028 -0.146 1.00 63.24 H new ATOM 0 HA ALA A 86 3.099 -5.681 -1.424 1.00 41.13 H new ATOM 0 HB1 ALA A 86 5.215 -6.709 -0.591 1.00 63.01 H new ATOM 0 HB2 ALA A 86 4.024 -6.491 0.714 1.00 63.01 H new ATOM 0 HB3 ALA A 86 4.283 -8.103 0.006 1.00 63.01 H new ATOM 1335 N LYS A 87 3.848 -6.586 -3.580 1.00 74.40 N ATOM 1336 CA LYS A 87 4.350 -7.057 -4.882 1.00 40.45 C ATOM 1337 C LYS A 87 5.659 -6.366 -5.242 1.00 44.03 C ATOM 1338 O LYS A 87 5.862 -5.192 -4.943 1.00 21.30 O ATOM 1339 CB LYS A 87 3.321 -6.812 -5.999 1.00 41.14 C ATOM 1340 CG LYS A 87 2.072 -7.666 -5.926 1.00 65.23 C ATOM 1341 CD LYS A 87 1.190 -7.384 -7.128 1.00 1.30 C ATOM 1342 CE LYS A 87 -0.088 -8.194 -7.114 1.00 3.23 C ATOM 1343 NZ LYS A 87 0.120 -9.606 -7.534 1.00 21.43 N ATOM 0 H LYS A 87 3.768 -5.571 -3.512 1.00 74.40 H new ATOM 0 HA LYS A 87 4.523 -8.129 -4.792 1.00 40.45 H new ATOM 0 HB2 LYS A 87 3.026 -5.763 -5.975 1.00 41.14 H new ATOM 0 HB3 LYS A 87 3.804 -6.985 -6.960 1.00 41.14 H new ATOM 0 HG2 LYS A 87 2.342 -8.722 -5.901 1.00 65.23 H new ATOM 0 HG3 LYS A 87 1.528 -7.454 -5.006 1.00 65.23 H new ATOM 0 HD2 LYS A 87 0.943 -6.323 -7.152 1.00 1.30 H new ATOM 0 HD3 LYS A 87 1.745 -7.603 -8.040 1.00 1.30 H new ATOM 0 HE2 LYS A 87 -0.513 -8.177 -6.110 1.00 3.23 H new ATOM 0 HE3 LYS A 87 -0.817 -7.726 -7.776 1.00 3.23 H new ATOM 0 HZ1 LYS A 87 -0.787 -10.114 -7.506 1.00 21.43 H new ATOM 0 HZ2 LYS A 87 0.499 -9.628 -8.502 1.00 21.43 H new ATOM 0 HZ3 LYS A 87 0.794 -10.065 -6.888 1.00 21.43 H new ATOM 1357 N LYS A 88 6.551 -7.109 -5.876 1.00 74.03 N ATOM 1358 CA LYS A 88 7.837 -6.578 -6.285 1.00 21.31 C ATOM 1359 C LYS A 88 7.743 -5.955 -7.688 1.00 12.23 C ATOM 1360 O LYS A 88 7.385 -6.632 -8.656 1.00 73.30 O ATOM 1361 CB LYS A 88 8.880 -7.694 -6.256 1.00 1.41 C ATOM 1362 CG LYS A 88 10.289 -7.163 -6.360 1.00 14.24 C ATOM 1363 CD LYS A 88 11.339 -8.270 -6.327 1.00 21.43 C ATOM 1364 CE LYS A 88 11.326 -9.034 -5.007 1.00 4.21 C ATOM 1365 NZ LYS A 88 12.438 -10.015 -4.929 1.00 73.31 N ATOM 0 H LYS A 88 6.405 -8.089 -6.119 1.00 74.03 H new ATOM 0 HA LYS A 88 8.138 -5.793 -5.591 1.00 21.31 H new ATOM 0 HB2 LYS A 88 8.775 -8.262 -5.332 1.00 1.41 H new ATOM 0 HB3 LYS A 88 8.693 -8.385 -7.078 1.00 1.41 H new ATOM 0 HG2 LYS A 88 10.392 -6.597 -7.286 1.00 14.24 H new ATOM 0 HG3 LYS A 88 10.473 -6.469 -5.540 1.00 14.24 H new ATOM 0 HD2 LYS A 88 11.160 -8.964 -7.149 1.00 21.43 H new ATOM 0 HD3 LYS A 88 12.327 -7.837 -6.485 1.00 21.43 H new ATOM 0 HE2 LYS A 88 11.403 -8.330 -4.178 1.00 4.21 H new ATOM 0 HE3 LYS A 88 10.374 -9.553 -4.897 1.00 4.21 H new ATOM 0 HZ1 LYS A 88 12.792 -10.061 -3.952 1.00 73.31 H new ATOM 0 HZ2 LYS A 88 12.094 -10.953 -5.217 1.00 73.31 H new ATOM 0 HZ3 LYS A 88 13.207 -9.719 -5.563 1.00 73.31 H new ATOM 1379 N GLY A 89 8.068 -4.668 -7.798 1.00 1.53 N ATOM 1380 CA GLY A 89 7.889 -3.959 -9.062 1.00 62.55 C ATOM 1381 C GLY A 89 9.150 -3.274 -9.579 1.00 73.35 C ATOM 1382 O GLY A 89 10.209 -3.331 -8.953 1.00 11.51 O ATOM 0 H GLY A 89 8.451 -4.103 -7.040 1.00 1.53 H new ATOM 0 HA2 GLY A 89 7.538 -4.665 -9.815 1.00 62.55 H new ATOM 0 HA3 GLY A 89 7.107 -3.210 -8.938 1.00 62.55 H new ATOM 1386 N ASP A 90 9.022 -2.609 -10.729 1.00 70.43 N ATOM 1387 CA ASP A 90 10.146 -1.909 -11.365 1.00 2.40 C ATOM 1388 C ASP A 90 10.234 -0.442 -10.893 1.00 15.21 C ATOM 1389 O ASP A 90 10.865 0.397 -11.542 1.00 30.33 O ATOM 1390 CB ASP A 90 9.985 -1.958 -12.889 1.00 31.23 C ATOM 1391 CG ASP A 90 9.810 -3.376 -13.408 1.00 63.41 C ATOM 1392 OD1 ASP A 90 10.718 -4.209 -13.196 1.00 34.34 O ATOM 1393 OD2 ASP A 90 8.765 -3.664 -14.034 1.00 53.04 O ATOM 0 H ASP A 90 8.145 -2.539 -11.244 1.00 70.43 H new ATOM 0 HA ASP A 90 11.069 -2.411 -11.075 1.00 2.40 H new ATOM 0 HB2 ASP A 90 9.122 -1.359 -13.180 1.00 31.23 H new ATOM 0 HB3 ASP A 90 10.859 -1.507 -13.359 1.00 31.23 H new ATOM 1398 N VAL A 91 9.596 -0.148 -9.762 1.00 11.32 N ATOM 1399 CA VAL A 91 9.565 1.209 -9.202 1.00 3.23 C ATOM 1400 C VAL A 91 10.927 1.615 -8.602 1.00 71.53 C ATOM 1401 O VAL A 91 11.701 0.762 -8.170 1.00 0.01 O ATOM 1402 CB VAL A 91 8.468 1.328 -8.111 1.00 64.51 C ATOM 1403 CG1 VAL A 91 7.084 1.064 -8.701 1.00 4.54 C ATOM 1404 CG2 VAL A 91 8.753 0.374 -6.951 1.00 40.22 C ATOM 0 H VAL A 91 9.087 -0.837 -9.208 1.00 11.32 H new ATOM 0 HA VAL A 91 9.337 1.886 -10.025 1.00 3.23 H new ATOM 0 HB VAL A 91 8.483 2.347 -7.725 1.00 64.51 H new ATOM 0 HG11 VAL A 91 6.331 1.153 -7.918 1.00 4.54 H new ATOM 0 HG12 VAL A 91 6.878 1.792 -9.486 1.00 4.54 H new ATOM 0 HG13 VAL A 91 7.053 0.059 -9.121 1.00 4.54 H new ATOM 0 HG21 VAL A 91 7.972 0.474 -6.197 1.00 40.22 H new ATOM 0 HG22 VAL A 91 8.773 -0.652 -7.320 1.00 40.22 H new ATOM 0 HG23 VAL A 91 9.718 0.619 -6.507 1.00 40.22 H new ATOM 1414 N PRO A 92 11.243 2.928 -8.588 1.00 30.13 N ATOM 1415 CA PRO A 92 12.502 3.442 -8.006 1.00 74.45 C ATOM 1416 C PRO A 92 12.644 3.162 -6.494 1.00 73.24 C ATOM 1417 O PRO A 92 11.660 2.907 -5.798 1.00 64.32 O ATOM 1418 CB PRO A 92 12.423 4.958 -8.266 1.00 52.53 C ATOM 1419 CG PRO A 92 11.424 5.114 -9.362 1.00 3.35 C ATOM 1420 CD PRO A 92 10.421 4.015 -9.152 1.00 2.41 C ATOM 0 HA PRO A 92 13.369 2.955 -8.452 1.00 74.45 H new ATOM 0 HB2 PRO A 92 12.112 5.496 -7.370 1.00 52.53 H new ATOM 0 HB3 PRO A 92 13.394 5.359 -8.558 1.00 52.53 H new ATOM 0 HG2 PRO A 92 10.947 6.093 -9.322 1.00 3.35 H new ATOM 0 HG3 PRO A 92 11.898 5.031 -10.340 1.00 3.35 H new ATOM 0 HD2 PRO A 92 9.626 4.317 -8.470 1.00 2.41 H new ATOM 0 HD3 PRO A 92 9.944 3.719 -10.086 1.00 2.41 H new ATOM 1428 N LYS A 93 13.879 3.225 -5.991 1.00 12.11 N ATOM 1429 CA LYS A 93 14.153 2.969 -4.570 1.00 1.51 C ATOM 1430 C LYS A 93 13.583 4.085 -3.677 1.00 52.41 C ATOM 1431 O LYS A 93 13.688 5.273 -4.003 1.00 4.12 O ATOM 1432 CB LYS A 93 15.663 2.825 -4.339 1.00 72.32 C ATOM 1433 CG LYS A 93 16.024 2.376 -2.925 1.00 11.54 C ATOM 1434 CD LYS A 93 17.519 2.127 -2.774 1.00 24.30 C ATOM 1435 CE LYS A 93 17.860 1.541 -1.409 1.00 73.11 C ATOM 1436 NZ LYS A 93 19.300 1.183 -1.307 1.00 33.31 N ATOM 0 H LYS A 93 14.706 3.451 -6.544 1.00 12.11 H new ATOM 0 HA LYS A 93 13.659 2.037 -4.297 1.00 1.51 H new ATOM 0 HB2 LYS A 93 16.065 2.106 -5.053 1.00 72.32 H new ATOM 0 HB3 LYS A 93 16.146 3.781 -4.542 1.00 72.32 H new ATOM 0 HG2 LYS A 93 15.708 3.136 -2.211 1.00 11.54 H new ATOM 0 HG3 LYS A 93 15.478 1.465 -2.683 1.00 11.54 H new ATOM 0 HD2 LYS A 93 17.855 1.446 -3.556 1.00 24.30 H new ATOM 0 HD3 LYS A 93 18.059 3.063 -2.913 1.00 24.30 H new ATOM 0 HE2 LYS A 93 17.608 2.261 -0.631 1.00 73.11 H new ATOM 0 HE3 LYS A 93 17.251 0.654 -1.231 1.00 73.11 H new ATOM 0 HZ1 LYS A 93 19.470 0.680 -0.413 1.00 33.31 H new ATOM 0 HZ2 LYS A 93 19.562 0.569 -2.104 1.00 33.31 H new ATOM 0 HZ3 LYS A 93 19.876 2.049 -1.333 1.00 33.31 H new ATOM 1450 N GLY A 94 12.994 3.700 -2.543 1.00 61.33 N ATOM 1451 CA GLY A 94 12.303 4.663 -1.691 1.00 14.44 C ATOM 1452 C GLY A 94 11.036 5.211 -2.345 1.00 21.13 C ATOM 1453 O GLY A 94 10.596 6.325 -2.050 1.00 14.11 O ATOM 0 H GLY A 94 12.982 2.740 -2.199 1.00 61.33 H new ATOM 0 HA2 GLY A 94 12.044 4.188 -0.745 1.00 14.44 H new ATOM 0 HA3 GLY A 94 12.976 5.489 -1.460 1.00 14.44 H new ATOM 1457 N MET A 95 10.449 4.422 -3.238 1.00 41.04 N ATOM 1458 CA MET A 95 9.259 4.827 -3.978 1.00 13.12 C ATOM 1459 C MET A 95 8.397 3.597 -4.318 1.00 25.31 C ATOM 1460 O MET A 95 8.923 2.566 -4.727 1.00 4.14 O ATOM 1461 CB MET A 95 9.711 5.547 -5.255 1.00 5.43 C ATOM 1462 CG MET A 95 8.603 6.249 -6.008 1.00 51.22 C ATOM 1463 SD MET A 95 9.239 7.230 -7.383 1.00 44.35 S ATOM 1464 CE MET A 95 7.768 8.114 -7.884 1.00 73.54 C ATOM 0 H MET A 95 10.783 3.486 -3.469 1.00 41.04 H new ATOM 0 HA MET A 95 8.649 5.499 -3.374 1.00 13.12 H new ATOM 0 HB2 MET A 95 10.475 6.279 -4.993 1.00 5.43 H new ATOM 0 HB3 MET A 95 10.180 4.821 -5.919 1.00 5.43 H new ATOM 0 HG2 MET A 95 7.896 5.510 -6.386 1.00 51.22 H new ATOM 0 HG3 MET A 95 8.053 6.896 -5.325 1.00 51.22 H new ATOM 0 HE1 MET A 95 7.390 7.693 -8.816 1.00 73.54 H new ATOM 0 HE2 MET A 95 7.007 8.022 -7.109 1.00 73.54 H new ATOM 0 HE3 MET A 95 8.009 9.167 -8.033 1.00 73.54 H new ATOM 1474 N ILE A 96 7.075 3.701 -4.150 1.00 23.41 N ATOM 1475 CA ILE A 96 6.180 2.555 -4.390 1.00 2.50 C ATOM 1476 C ILE A 96 4.936 2.960 -5.192 1.00 71.24 C ATOM 1477 O ILE A 96 4.423 4.072 -5.058 1.00 42.21 O ATOM 1478 CB ILE A 96 5.731 1.877 -3.063 1.00 25.43 C ATOM 1479 CG1 ILE A 96 4.917 2.853 -2.192 1.00 54.05 C ATOM 1480 CG2 ILE A 96 6.942 1.349 -2.291 1.00 13.43 C ATOM 1481 CD1 ILE A 96 4.376 2.233 -0.917 1.00 14.03 C ATOM 0 H ILE A 96 6.601 4.554 -3.853 1.00 23.41 H new ATOM 0 HA ILE A 96 6.761 1.839 -4.972 1.00 2.50 H new ATOM 0 HB ILE A 96 5.088 1.034 -3.316 1.00 25.43 H new ATOM 0 HG12 ILE A 96 5.546 3.704 -1.932 1.00 54.05 H new ATOM 0 HG13 ILE A 96 4.084 3.240 -2.779 1.00 54.05 H new ATOM 0 HG21 ILE A 96 6.607 0.879 -1.366 1.00 13.43 H new ATOM 0 HG22 ILE A 96 7.471 0.616 -2.900 1.00 13.43 H new ATOM 0 HG23 ILE A 96 7.612 2.176 -2.055 1.00 13.43 H new ATOM 0 HD11 ILE A 96 3.815 2.982 -0.358 1.00 14.03 H new ATOM 0 HD12 ILE A 96 3.719 1.400 -1.168 1.00 14.03 H new ATOM 0 HD13 ILE A 96 5.205 1.871 -0.308 1.00 14.03 H new ATOM 1493 N PHE A 97 4.448 2.042 -6.021 1.00 44.45 N ATOM 1494 CA PHE A 97 3.268 2.294 -6.854 1.00 51.51 C ATOM 1495 C PHE A 97 2.033 1.549 -6.324 1.00 44.21 C ATOM 1496 O PHE A 97 2.088 0.348 -6.057 1.00 4.30 O ATOM 1497 CB PHE A 97 3.542 1.865 -8.302 1.00 62.13 C ATOM 1498 CG PHE A 97 2.347 2.006 -9.218 1.00 24.00 C ATOM 1499 CD1 PHE A 97 2.061 3.221 -9.825 1.00 25.12 C ATOM 1500 CD2 PHE A 97 1.509 0.925 -9.467 1.00 73.24 C ATOM 1501 CE1 PHE A 97 0.969 3.354 -10.660 1.00 1.13 C ATOM 1502 CE2 PHE A 97 0.414 1.054 -10.300 1.00 24.11 C ATOM 1503 CZ PHE A 97 0.144 2.270 -10.897 1.00 72.23 C ATOM 0 H PHE A 97 4.851 1.112 -6.137 1.00 44.45 H new ATOM 0 HA PHE A 97 3.063 3.364 -6.819 1.00 51.51 H new ATOM 0 HB2 PHE A 97 4.364 2.461 -8.698 1.00 62.13 H new ATOM 0 HB3 PHE A 97 3.871 0.826 -8.307 1.00 62.13 H new ATOM 0 HD1 PHE A 97 2.700 4.072 -9.642 1.00 25.12 H new ATOM 0 HD2 PHE A 97 1.717 -0.028 -9.003 1.00 73.24 H new ATOM 0 HE1 PHE A 97 0.759 4.305 -11.128 1.00 1.13 H new ATOM 0 HE2 PHE A 97 -0.229 0.206 -10.484 1.00 24.11 H new ATOM 0 HZ PHE A 97 -0.711 2.374 -11.549 1.00 72.23 H new ATOM 1513 N ILE A 98 0.922 2.267 -6.175 1.00 2.41 N ATOM 1514 CA ILE A 98 -0.359 1.650 -5.817 1.00 51.12 C ATOM 1515 C ILE A 98 -1.440 2.003 -6.855 1.00 42.24 C ATOM 1516 O ILE A 98 -1.570 3.159 -7.261 1.00 14.20 O ATOM 1517 CB ILE A 98 -0.840 2.092 -4.405 1.00 72.14 C ATOM 1518 CG1 ILE A 98 0.207 1.719 -3.339 1.00 52.12 C ATOM 1519 CG2 ILE A 98 -2.198 1.467 -4.069 1.00 11.51 C ATOM 1520 CD1 ILE A 98 -0.218 2.032 -1.918 1.00 31.15 C ATOM 0 H ILE A 98 0.880 3.279 -6.296 1.00 2.41 H new ATOM 0 HA ILE A 98 -0.200 0.572 -5.805 1.00 51.12 H new ATOM 0 HB ILE A 98 -0.959 3.175 -4.410 1.00 72.14 H new ATOM 0 HG12 ILE A 98 0.424 0.654 -3.416 1.00 52.12 H new ATOM 0 HG13 ILE A 98 1.134 2.250 -3.555 1.00 52.12 H new ATOM 0 HG21 ILE A 98 -2.512 1.791 -3.077 1.00 11.51 H new ATOM 0 HG22 ILE A 98 -2.937 1.784 -4.805 1.00 11.51 H new ATOM 0 HG23 ILE A 98 -2.112 0.380 -4.085 1.00 11.51 H new ATOM 0 HD11 ILE A 98 0.574 1.740 -1.229 1.00 31.15 H new ATOM 0 HD12 ILE A 98 -0.406 3.101 -1.822 1.00 31.15 H new ATOM 0 HD13 ILE A 98 -1.128 1.480 -1.680 1.00 31.15 H new ATOM 1532 N PRO A 99 -2.202 1.005 -7.339 1.00 62.14 N ATOM 1533 CA PRO A 99 -3.347 1.253 -8.232 1.00 73.30 C ATOM 1534 C PRO A 99 -4.408 2.168 -7.586 1.00 63.23 C ATOM 1535 O PRO A 99 -4.811 1.952 -6.440 1.00 2.11 O ATOM 1536 CB PRO A 99 -3.916 -0.155 -8.484 1.00 30.34 C ATOM 1537 CG PRO A 99 -2.784 -1.083 -8.193 1.00 53.52 C ATOM 1538 CD PRO A 99 -1.997 -0.434 -7.087 1.00 63.55 C ATOM 0 HA PRO A 99 -3.051 1.772 -9.144 1.00 73.30 H new ATOM 0 HB2 PRO A 99 -4.770 -0.358 -7.837 1.00 30.34 H new ATOM 0 HB3 PRO A 99 -4.262 -0.263 -9.512 1.00 30.34 H new ATOM 0 HG2 PRO A 99 -3.150 -2.064 -7.889 1.00 53.52 H new ATOM 0 HG3 PRO A 99 -2.165 -1.234 -9.077 1.00 53.52 H new ATOM 0 HD2 PRO A 99 -2.363 -0.728 -6.104 1.00 63.55 H new ATOM 0 HD3 PRO A 99 -0.942 -0.705 -7.128 1.00 63.55 H new ATOM 1546 N MET A 100 -4.852 3.189 -8.327 1.00 43.22 N ATOM 1547 CA MET A 100 -5.855 4.150 -7.830 1.00 33.42 C ATOM 1548 C MET A 100 -7.097 3.441 -7.261 1.00 31.54 C ATOM 1549 O MET A 100 -7.899 2.881 -8.007 1.00 63.33 O ATOM 1550 CB MET A 100 -6.261 5.101 -8.969 1.00 65.45 C ATOM 1551 CG MET A 100 -7.362 6.106 -8.631 1.00 54.25 C ATOM 1552 SD MET A 100 -6.842 7.397 -7.474 1.00 21.12 S ATOM 1553 CE MET A 100 -7.211 6.645 -5.888 1.00 5.11 C ATOM 0 H MET A 100 -4.534 3.375 -9.278 1.00 43.22 H new ATOM 0 HA MET A 100 -5.405 4.718 -7.016 1.00 33.42 H new ATOM 0 HB2 MET A 100 -5.377 5.652 -9.290 1.00 65.45 H new ATOM 0 HB3 MET A 100 -6.589 4.502 -9.818 1.00 65.45 H new ATOM 0 HG2 MET A 100 -7.709 6.575 -9.552 1.00 54.25 H new ATOM 0 HG3 MET A 100 -8.211 5.571 -8.206 1.00 54.25 H new ATOM 0 HE1 MET A 100 -7.509 7.418 -5.180 1.00 5.11 H new ATOM 0 HE2 MET A 100 -8.023 5.927 -6.006 1.00 5.11 H new ATOM 0 HE3 MET A 100 -6.325 6.132 -5.514 1.00 5.11 H new ATOM 1563 N GLY A 101 -7.246 3.466 -5.936 1.00 61.54 N ATOM 1564 CA GLY A 101 -8.393 2.815 -5.304 1.00 23.54 C ATOM 1565 C GLY A 101 -8.576 3.198 -3.840 1.00 2.53 C ATOM 1566 O GLY A 101 -7.827 4.023 -3.318 1.00 5.42 O ATOM 0 H GLY A 101 -6.600 3.921 -5.290 1.00 61.54 H new ATOM 0 HA2 GLY A 101 -9.297 3.073 -5.855 1.00 23.54 H new ATOM 0 HA3 GLY A 101 -8.273 1.734 -5.377 1.00 23.54 H new ATOM 1570 N PRO A 102 -9.570 2.600 -3.146 1.00 5.52 N ATOM 1571 CA PRO A 102 -9.862 2.902 -1.729 1.00 71.24 C ATOM 1572 C PRO A 102 -8.644 2.704 -0.810 1.00 72.45 C ATOM 1573 O PRO A 102 -8.450 3.448 0.150 1.00 5.43 O ATOM 1574 CB PRO A 102 -10.987 1.911 -1.366 1.00 11.14 C ATOM 1575 CG PRO A 102 -10.955 0.875 -2.445 1.00 15.11 C ATOM 1576 CD PRO A 102 -10.490 1.586 -3.685 1.00 12.43 C ATOM 0 HA PRO A 102 -10.140 3.947 -1.594 1.00 71.24 H new ATOM 0 HB2 PRO A 102 -10.819 1.465 -0.386 1.00 11.14 H new ATOM 0 HB3 PRO A 102 -11.955 2.410 -1.327 1.00 11.14 H new ATOM 0 HG2 PRO A 102 -10.279 0.061 -2.185 1.00 15.11 H new ATOM 0 HG3 PRO A 102 -11.941 0.435 -2.594 1.00 15.11 H new ATOM 0 HD2 PRO A 102 -9.988 0.909 -4.376 1.00 12.43 H new ATOM 0 HD3 PRO A 102 -11.320 2.039 -4.228 1.00 12.43 H new ATOM 1584 N TYR A 103 -7.826 1.700 -1.121 1.00 3.30 N ATOM 1585 CA TYR A 103 -6.595 1.432 -0.373 1.00 3.14 C ATOM 1586 C TYR A 103 -5.631 2.624 -0.472 1.00 24.14 C ATOM 1587 O TYR A 103 -5.155 3.141 0.538 1.00 74.22 O ATOM 1588 CB TYR A 103 -5.933 0.154 -0.905 1.00 72.44 C ATOM 1589 CG TYR A 103 -6.787 -1.092 -0.725 1.00 40.11 C ATOM 1590 CD1 TYR A 103 -7.919 -1.307 -1.508 1.00 55.31 C ATOM 1591 CD2 TYR A 103 -6.471 -2.045 0.238 1.00 3.42 C ATOM 1592 CE1 TYR A 103 -8.703 -2.431 -1.338 1.00 22.24 C ATOM 1593 CE2 TYR A 103 -7.251 -3.170 0.412 1.00 11.13 C ATOM 1594 CZ TYR A 103 -8.365 -3.359 -0.376 1.00 51.43 C ATOM 1595 OH TYR A 103 -9.146 -4.480 -0.201 1.00 23.31 O ATOM 0 H TYR A 103 -7.994 1.053 -1.892 1.00 3.30 H new ATOM 0 HA TYR A 103 -6.845 1.288 0.678 1.00 3.14 H new ATOM 0 HB2 TYR A 103 -5.711 0.283 -1.964 1.00 72.44 H new ATOM 0 HB3 TYR A 103 -4.980 0.009 -0.396 1.00 72.44 H new ATOM 0 HD1 TYR A 103 -8.188 -0.582 -2.261 1.00 55.31 H new ATOM 0 HD2 TYR A 103 -5.600 -1.902 0.860 1.00 3.42 H new ATOM 0 HE1 TYR A 103 -9.576 -2.582 -1.955 1.00 22.24 H new ATOM 0 HE2 TYR A 103 -6.989 -3.900 1.164 1.00 11.13 H new ATOM 0 HH TYR A 103 -8.877 -5.169 -0.844 1.00 23.31 H new ATOM 1605 N ALA A 104 -5.368 3.069 -1.698 1.00 2.11 N ATOM 1606 CA ALA A 104 -4.553 4.265 -1.927 1.00 54.35 C ATOM 1607 C ALA A 104 -5.214 5.510 -1.311 1.00 41.33 C ATOM 1608 O ALA A 104 -4.543 6.372 -0.748 1.00 23.43 O ATOM 1609 CB ALA A 104 -4.330 4.468 -3.421 1.00 54.14 C ATOM 0 H ALA A 104 -5.706 2.621 -2.550 1.00 2.11 H new ATOM 0 HA ALA A 104 -3.588 4.120 -1.440 1.00 54.35 H new ATOM 0 HB1 ALA A 104 -3.723 5.359 -3.581 1.00 54.14 H new ATOM 0 HB2 ALA A 104 -3.815 3.600 -3.833 1.00 54.14 H new ATOM 0 HB3 ALA A 104 -5.292 4.590 -3.919 1.00 54.14 H new ATOM 1615 N ASN A 105 -6.539 5.580 -1.410 1.00 3.21 N ATOM 1616 CA ASN A 105 -7.326 6.684 -0.838 1.00 41.45 C ATOM 1617 C ASN A 105 -7.044 6.876 0.667 1.00 53.54 C ATOM 1618 O ASN A 105 -7.192 7.976 1.201 1.00 24.31 O ATOM 1619 CB ASN A 105 -8.817 6.412 -1.087 1.00 32.54 C ATOM 1620 CG ASN A 105 -9.734 7.345 -0.322 1.00 51.33 C ATOM 1621 OD1 ASN A 105 -10.078 8.424 -0.787 1.00 75.41 O ATOM 1622 ND2 ASN A 105 -10.146 6.925 0.858 1.00 52.13 N ATOM 0 H ASN A 105 -7.103 4.877 -1.887 1.00 3.21 H new ATOM 0 HA ASN A 105 -7.033 7.612 -1.329 1.00 41.45 H new ATOM 0 HB2 ASN A 105 -9.023 6.506 -2.153 1.00 32.54 H new ATOM 0 HB3 ASN A 105 -9.043 5.383 -0.808 1.00 32.54 H new ATOM 0 HD21 ASN A 105 -10.773 7.505 1.416 1.00 52.13 H new ATOM 0 HD22 ASN A 105 -9.838 6.020 1.213 1.00 52.13 H new ATOM 1629 N MET A 106 -6.627 5.806 1.339 1.00 52.21 N ATOM 1630 CA MET A 106 -6.299 5.862 2.772 1.00 41.31 C ATOM 1631 C MET A 106 -5.021 6.671 3.048 1.00 73.25 C ATOM 1632 O MET A 106 -4.766 7.067 4.184 1.00 4.33 O ATOM 1633 CB MET A 106 -6.119 4.441 3.318 1.00 11.52 C ATOM 1634 CG MET A 106 -7.370 3.586 3.212 1.00 52.30 C ATOM 1635 SD MET A 106 -8.632 4.043 4.417 1.00 24.14 S ATOM 1636 CE MET A 106 -7.954 3.331 5.914 1.00 20.43 C ATOM 0 H MET A 106 -6.506 4.885 0.918 1.00 52.21 H new ATOM 0 HA MET A 106 -7.128 6.363 3.273 1.00 41.31 H new ATOM 0 HB2 MET A 106 -5.308 3.953 2.777 1.00 11.52 H new ATOM 0 HB3 MET A 106 -5.815 4.498 4.363 1.00 11.52 H new ATOM 0 HG2 MET A 106 -7.783 3.677 2.207 1.00 52.30 H new ATOM 0 HG3 MET A 106 -7.102 2.539 3.352 1.00 52.30 H new ATOM 0 HE1 MET A 106 -8.756 3.162 6.632 1.00 20.43 H new ATOM 0 HE2 MET A 106 -7.471 2.383 5.679 1.00 20.43 H new ATOM 0 HE3 MET A 106 -7.222 4.015 6.343 1.00 20.43 H new ATOM 1646 N VAL A 107 -4.212 6.906 2.013 1.00 34.12 N ATOM 1647 CA VAL A 107 -2.904 7.556 2.190 1.00 44.20 C ATOM 1648 C VAL A 107 -2.652 8.709 1.198 1.00 41.23 C ATOM 1649 O VAL A 107 -1.792 9.555 1.440 1.00 34.11 O ATOM 1650 CB VAL A 107 -1.749 6.526 2.068 1.00 73.35 C ATOM 1651 CG1 VAL A 107 -1.800 5.509 3.206 1.00 31.44 C ATOM 1652 CG2 VAL A 107 -1.784 5.822 0.711 1.00 24.25 C ATOM 0 H VAL A 107 -4.434 6.659 1.048 1.00 34.12 H new ATOM 0 HA VAL A 107 -2.926 7.982 3.193 1.00 44.20 H new ATOM 0 HB VAL A 107 -0.808 7.070 2.143 1.00 73.35 H new ATOM 0 HG11 VAL A 107 -0.980 4.799 3.097 1.00 31.44 H new ATOM 0 HG12 VAL A 107 -1.707 6.026 4.161 1.00 31.44 H new ATOM 0 HG13 VAL A 107 -2.749 4.974 3.174 1.00 31.44 H new ATOM 0 HG21 VAL A 107 -0.964 5.106 0.651 1.00 24.25 H new ATOM 0 HG22 VAL A 107 -2.733 5.298 0.597 1.00 24.25 H new ATOM 0 HG23 VAL A 107 -1.680 6.560 -0.084 1.00 24.25 H new ATOM 1662 N ILE A 108 -3.393 8.753 0.092 1.00 75.14 N ATOM 1663 CA ILE A 108 -3.143 9.759 -0.953 1.00 61.30 C ATOM 1664 C ILE A 108 -4.093 10.970 -0.858 1.00 60.24 C ATOM 1665 O ILE A 108 -4.955 11.042 0.021 1.00 70.12 O ATOM 1666 CB ILE A 108 -3.253 9.156 -2.373 1.00 74.13 C ATOM 1667 CG1 ILE A 108 -4.716 8.973 -2.791 1.00 55.21 C ATOM 1668 CG2 ILE A 108 -2.509 7.823 -2.466 1.00 21.12 C ATOM 1669 CD1 ILE A 108 -4.850 8.709 -4.263 1.00 11.40 C ATOM 0 H ILE A 108 -4.163 8.115 -0.108 1.00 75.14 H new ATOM 0 HA ILE A 108 -2.123 10.102 -0.779 1.00 61.30 H new ATOM 0 HB ILE A 108 -2.786 9.862 -3.060 1.00 74.13 H new ATOM 0 HG12 ILE A 108 -5.152 8.145 -2.233 1.00 55.21 H new ATOM 0 HG13 ILE A 108 -5.283 9.867 -2.530 1.00 55.21 H new ATOM 0 HG21 ILE A 108 -2.604 7.423 -3.476 1.00 21.12 H new ATOM 0 HG22 ILE A 108 -1.455 7.978 -2.235 1.00 21.12 H new ATOM 0 HG23 ILE A 108 -2.937 7.117 -1.754 1.00 21.12 H new ATOM 0 HD11 ILE A 108 -5.903 8.585 -4.516 1.00 11.40 H new ATOM 0 HD12 ILE A 108 -4.438 9.549 -4.822 1.00 11.40 H new ATOM 0 HD13 ILE A 108 -4.306 7.800 -4.521 1.00 11.40 H new ATOM 1681 N ASP A 109 -3.918 11.922 -1.779 1.00 45.53 N ATOM 1682 CA ASP A 109 -4.782 13.107 -1.867 1.00 41.02 C ATOM 1683 C ASP A 109 -5.772 12.985 -3.047 1.00 72.34 C ATOM 1684 O ASP A 109 -5.362 12.913 -4.205 1.00 32.14 O ATOM 1685 CB ASP A 109 -3.921 14.368 -2.024 1.00 22.43 C ATOM 1686 CG ASP A 109 -4.758 15.618 -2.234 1.00 42.11 C ATOM 1687 OD1 ASP A 109 -5.529 15.987 -1.323 1.00 42.31 O ATOM 1688 OD2 ASP A 109 -4.654 16.235 -3.313 1.00 0.23 O ATOM 0 H ASP A 109 -3.179 11.896 -2.481 1.00 45.53 H new ATOM 0 HA ASP A 109 -5.362 13.180 -0.947 1.00 41.02 H new ATOM 0 HB2 ASP A 109 -3.301 14.494 -1.136 1.00 22.43 H new ATOM 0 HB3 ASP A 109 -3.245 14.240 -2.870 1.00 22.43 H new ATOM 1862 N GLY A 122 4.289 10.846 -6.601 1.00 45.12 N ATOM 1863 CA GLY A 122 3.160 10.403 -5.797 1.00 14.24 C ATOM 1864 C GLY A 122 3.124 11.049 -4.417 1.00 55.13 C ATOM 1865 O GLY A 122 3.944 11.913 -4.104 1.00 71.01 O ATOM 0 HA2 GLY A 122 2.234 10.632 -6.324 1.00 14.24 H new ATOM 0 HA3 GLY A 122 3.204 9.320 -5.684 1.00 14.24 H new ATOM 1869 N VAL A 123 2.171 10.635 -3.589 1.00 25.25 N ATOM 1870 CA VAL A 123 2.063 11.146 -2.216 1.00 72.34 C ATOM 1871 C VAL A 123 3.065 10.442 -1.283 1.00 24.33 C ATOM 1872 O VAL A 123 2.992 9.233 -1.085 1.00 62.13 O ATOM 1873 CB VAL A 123 0.633 10.952 -1.659 1.00 10.31 C ATOM 1874 CG1 VAL A 123 0.533 11.440 -0.217 1.00 33.24 C ATOM 1875 CG2 VAL A 123 -0.395 11.653 -2.550 1.00 11.42 C ATOM 0 H VAL A 123 1.460 9.948 -3.839 1.00 25.25 H new ATOM 0 HA VAL A 123 2.292 12.211 -2.252 1.00 72.34 H new ATOM 0 HB VAL A 123 0.412 9.885 -1.662 1.00 10.31 H new ATOM 0 HG11 VAL A 123 -0.483 11.291 0.148 1.00 33.24 H new ATOM 0 HG12 VAL A 123 1.228 10.878 0.406 1.00 33.24 H new ATOM 0 HG13 VAL A 123 0.782 12.500 -0.174 1.00 33.24 H new ATOM 0 HG21 VAL A 123 -1.394 11.504 -2.140 1.00 11.42 H new ATOM 0 HG22 VAL A 123 -0.175 12.720 -2.590 1.00 11.42 H new ATOM 0 HG23 VAL A 123 -0.350 11.235 -3.556 1.00 11.42 H new ATOM 1885 N LYS A 124 3.992 11.201 -0.702 1.00 21.41 N ATOM 1886 CA LYS A 124 5.031 10.616 0.158 1.00 1.43 C ATOM 1887 C LYS A 124 4.469 10.033 1.462 1.00 62.33 C ATOM 1888 O LYS A 124 3.418 10.445 1.954 1.00 44.11 O ATOM 1889 CB LYS A 124 6.128 11.637 0.492 1.00 23.33 C ATOM 1890 CG LYS A 124 7.105 11.900 -0.649 1.00 71.12 C ATOM 1891 CD LYS A 124 8.359 12.617 -0.156 1.00 40.42 C ATOM 1892 CE LYS A 124 9.138 11.763 0.845 1.00 51.11 C ATOM 1893 NZ LYS A 124 10.291 12.494 1.429 1.00 54.43 N ATOM 0 H LYS A 124 4.049 12.214 -0.807 1.00 21.41 H new ATOM 0 HA LYS A 124 5.460 9.797 -0.420 1.00 1.43 H new ATOM 0 HB2 LYS A 124 5.658 12.578 0.777 1.00 23.33 H new ATOM 0 HB3 LYS A 124 6.686 11.284 1.359 1.00 23.33 H new ATOM 0 HG2 LYS A 124 7.384 10.955 -1.116 1.00 71.12 H new ATOM 0 HG3 LYS A 124 6.618 12.502 -1.416 1.00 71.12 H new ATOM 0 HD2 LYS A 124 8.999 12.858 -1.005 1.00 40.42 H new ATOM 0 HD3 LYS A 124 8.079 13.562 0.311 1.00 40.42 H new ATOM 0 HE2 LYS A 124 8.470 11.444 1.645 1.00 51.11 H new ATOM 0 HE3 LYS A 124 9.496 10.861 0.349 1.00 51.11 H new ATOM 0 HZ1 LYS A 124 10.829 11.856 2.049 1.00 54.43 H new ATOM 0 HZ2 LYS A 124 10.908 12.836 0.665 1.00 54.43 H new ATOM 0 HZ3 LYS A 124 9.945 13.304 1.982 1.00 54.43 H new ATOM 1907 N GLY A 125 5.210 9.082 2.018 1.00 61.01 N ATOM 1908 CA GLY A 125 4.828 8.425 3.259 1.00 63.22 C ATOM 1909 C GLY A 125 5.840 7.366 3.684 1.00 63.52 C ATOM 1910 O GLY A 125 7.035 7.501 3.424 1.00 72.43 O ATOM 0 H GLY A 125 6.088 8.747 1.622 1.00 61.01 H new ATOM 0 HA2 GLY A 125 4.731 9.171 4.048 1.00 63.22 H new ATOM 0 HA3 GLY A 125 3.849 7.962 3.137 1.00 63.22 H new ATOM 1914 N THR A 126 5.370 6.306 4.334 1.00 11.31 N ATOM 1915 CA THR A 126 6.249 5.221 4.791 1.00 32.24 C ATOM 1916 C THR A 126 5.621 3.844 4.555 1.00 44.22 C ATOM 1917 O THR A 126 4.400 3.706 4.506 1.00 72.42 O ATOM 1918 CB THR A 126 6.588 5.347 6.299 1.00 70.12 C ATOM 1919 OG1 THR A 126 5.380 5.415 7.073 1.00 2.20 O ATOM 1920 CG2 THR A 126 7.449 6.575 6.577 1.00 2.30 C ATOM 0 H THR A 126 4.385 6.170 4.559 1.00 11.31 H new ATOM 0 HA THR A 126 7.163 5.313 4.204 1.00 32.24 H new ATOM 0 HB THR A 126 7.156 4.462 6.587 1.00 70.12 H new ATOM 0 HG1 THR A 126 4.770 6.068 6.671 1.00 2.20 H new ATOM 0 HG21 THR A 126 7.668 6.632 7.643 1.00 2.30 H new ATOM 0 HG22 THR A 126 8.382 6.499 6.019 1.00 2.30 H new ATOM 0 HG23 THR A 126 6.913 7.473 6.268 1.00 2.30 H new ATOM 1928 N VAL A 127 6.470 2.831 4.402 1.00 22.52 N ATOM 1929 CA VAL A 127 6.025 1.442 4.267 1.00 1.24 C ATOM 1930 C VAL A 127 6.763 0.546 5.276 1.00 3.34 C ATOM 1931 O VAL A 127 7.936 0.779 5.585 1.00 10.30 O ATOM 1932 CB VAL A 127 6.256 0.910 2.826 1.00 31.14 C ATOM 1933 CG1 VAL A 127 7.746 0.871 2.488 1.00 61.30 C ATOM 1934 CG2 VAL A 127 5.615 -0.466 2.637 1.00 31.04 C ATOM 0 H VAL A 127 7.483 2.947 4.368 1.00 22.52 H new ATOM 0 HA VAL A 127 4.955 1.415 4.473 1.00 1.24 H new ATOM 0 HB VAL A 127 5.773 1.601 2.135 1.00 31.14 H new ATOM 0 HG11 VAL A 127 7.879 0.495 1.474 1.00 61.30 H new ATOM 0 HG12 VAL A 127 8.162 1.876 2.560 1.00 61.30 H new ATOM 0 HG13 VAL A 127 8.261 0.214 3.189 1.00 61.30 H new ATOM 0 HG21 VAL A 127 5.793 -0.813 1.619 1.00 31.04 H new ATOM 0 HG22 VAL A 127 6.053 -1.172 3.343 1.00 31.04 H new ATOM 0 HG23 VAL A 127 4.542 -0.395 2.814 1.00 31.04 H new ATOM 1944 N GLU A 128 6.078 -0.469 5.796 1.00 73.12 N ATOM 1945 CA GLU A 128 6.660 -1.331 6.830 1.00 72.11 C ATOM 1946 C GLU A 128 6.140 -2.777 6.763 1.00 34.53 C ATOM 1947 O GLU A 128 5.017 -3.037 6.321 1.00 44.12 O ATOM 1948 CB GLU A 128 6.348 -0.755 8.219 1.00 74.31 C ATOM 1949 CG GLU A 128 4.857 -0.519 8.451 1.00 73.31 C ATOM 1950 CD GLU A 128 4.511 -0.217 9.902 1.00 45.45 C ATOM 1951 OE1 GLU A 128 4.661 0.947 10.325 1.00 14.13 O ATOM 1952 OE2 GLU A 128 4.072 -1.142 10.619 1.00 24.21 O ATOM 0 H GLU A 128 5.127 -0.716 5.524 1.00 73.12 H new ATOM 0 HA GLU A 128 7.735 -1.357 6.651 1.00 72.11 H new ATOM 0 HB2 GLU A 128 6.724 -1.437 8.981 1.00 74.31 H new ATOM 0 HB3 GLU A 128 6.882 0.187 8.343 1.00 74.31 H new ATOM 0 HG2 GLU A 128 4.527 0.311 7.826 1.00 73.31 H new ATOM 0 HG3 GLU A 128 4.303 -1.401 8.129 1.00 73.31 H new ATOM 1959 N LYS A 129 6.981 -3.711 7.206 1.00 14.04 N ATOM 1960 CA LYS A 129 6.558 -5.090 7.463 1.00 54.33 C ATOM 1961 C LYS A 129 5.632 -5.135 8.688 1.00 11.41 C ATOM 1962 O LYS A 129 6.083 -4.985 9.825 1.00 0.31 O ATOM 1963 CB LYS A 129 7.791 -5.980 7.709 1.00 13.22 C ATOM 1964 CG LYS A 129 7.468 -7.367 8.277 1.00 5.42 C ATOM 1965 CD LYS A 129 6.908 -8.315 7.223 1.00 42.32 C ATOM 1966 CE LYS A 129 7.986 -8.744 6.238 1.00 63.44 C ATOM 1967 NZ LYS A 129 7.469 -9.687 5.218 1.00 30.01 N ATOM 0 H LYS A 129 7.968 -3.537 7.396 1.00 14.04 H new ATOM 0 HA LYS A 129 6.017 -5.462 6.593 1.00 54.33 H new ATOM 0 HB2 LYS A 129 8.329 -6.102 6.769 1.00 13.22 H new ATOM 0 HB3 LYS A 129 8.463 -5.467 8.397 1.00 13.22 H new ATOM 0 HG2 LYS A 129 8.372 -7.799 8.706 1.00 5.42 H new ATOM 0 HG3 LYS A 129 6.747 -7.265 9.088 1.00 5.42 H new ATOM 0 HD2 LYS A 129 6.486 -9.194 7.709 1.00 42.32 H new ATOM 0 HD3 LYS A 129 6.095 -7.826 6.686 1.00 42.32 H new ATOM 0 HE2 LYS A 129 8.394 -7.863 5.742 1.00 63.44 H new ATOM 0 HE3 LYS A 129 8.806 -9.213 6.781 1.00 63.44 H new ATOM 0 HZ1 LYS A 129 8.257 -10.244 4.829 1.00 30.01 H new ATOM 0 HZ2 LYS A 129 6.776 -10.327 5.656 1.00 30.01 H new ATOM 0 HZ3 LYS A 129 7.011 -9.153 4.452 1.00 30.01 H new ATOM 1981 N THR A 130 4.339 -5.333 8.458 1.00 40.24 N ATOM 1982 CA THR A 130 3.359 -5.321 9.552 1.00 70.01 C ATOM 1983 C THR A 130 2.954 -6.734 9.987 1.00 15.04 C ATOM 1984 O THR A 130 3.168 -7.714 9.270 1.00 54.12 O ATOM 1985 CB THR A 130 2.084 -4.522 9.183 1.00 14.22 C ATOM 1986 OG1 THR A 130 1.157 -4.536 10.282 1.00 54.11 O ATOM 1987 CG2 THR A 130 1.408 -5.093 7.940 1.00 30.54 C ATOM 0 H THR A 130 3.941 -5.503 7.534 1.00 40.24 H new ATOM 0 HA THR A 130 3.859 -4.827 10.385 1.00 70.01 H new ATOM 0 HB THR A 130 2.386 -3.497 8.969 1.00 14.22 H new ATOM 0 HG1 THR A 130 1.333 -3.770 10.868 1.00 54.11 H new ATOM 0 HG21 THR A 130 0.517 -4.509 7.710 1.00 30.54 H new ATOM 0 HG22 THR A 130 2.099 -5.049 7.098 1.00 30.54 H new ATOM 0 HG23 THR A 130 1.125 -6.129 8.124 1.00 30.54 H new ATOM 1995 N ASP A 131 2.383 -6.824 11.185 1.00 14.42 N ATOM 1996 CA ASP A 131 1.886 -8.088 11.734 1.00 50.13 C ATOM 1997 C ASP A 131 0.355 -8.187 11.570 1.00 42.21 C ATOM 1998 O ASP A 131 -0.270 -9.177 11.964 1.00 51.21 O ATOM 1999 CB ASP A 131 2.298 -8.172 13.212 1.00 15.11 C ATOM 2000 CG ASP A 131 1.838 -9.445 13.901 1.00 54.02 C ATOM 2001 OD1 ASP A 131 2.357 -10.530 13.573 1.00 41.52 O ATOM 2002 OD2 ASP A 131 0.970 -9.361 14.796 1.00 71.54 O ATOM 0 H ASP A 131 2.251 -6.025 11.805 1.00 14.42 H new ATOM 0 HA ASP A 131 2.320 -8.928 11.191 1.00 50.13 H new ATOM 0 HB2 ASP A 131 3.384 -8.103 13.282 1.00 15.11 H new ATOM 0 HB3 ASP A 131 1.889 -7.313 13.744 1.00 15.11 H new ATOM 2007 N GLU A 132 -0.243 -7.157 10.967 1.00 21.03 N ATOM 2008 CA GLU A 132 -1.701 -7.094 10.788 1.00 74.30 C ATOM 2009 C GLU A 132 -2.178 -7.761 9.486 1.00 60.30 C ATOM 2010 O GLU A 132 -1.385 -8.278 8.694 1.00 22.55 O ATOM 2011 CB GLU A 132 -2.182 -5.638 10.800 1.00 54.22 C ATOM 2012 CG GLU A 132 -1.889 -4.897 12.095 1.00 71.44 C ATOM 2013 CD GLU A 132 -2.763 -3.667 12.275 1.00 62.24 C ATOM 2014 OE1 GLU A 132 -3.961 -3.828 12.592 1.00 72.11 O ATOM 2015 OE2 GLU A 132 -2.262 -2.540 12.099 1.00 52.54 O ATOM 0 H GLU A 132 0.259 -6.352 10.593 1.00 21.03 H new ATOM 0 HA GLU A 132 -2.130 -7.646 11.624 1.00 74.30 H new ATOM 0 HB2 GLU A 132 -1.711 -5.104 9.974 1.00 54.22 H new ATOM 0 HB3 GLU A 132 -3.257 -5.620 10.619 1.00 54.22 H new ATOM 0 HG2 GLU A 132 -2.040 -5.572 12.938 1.00 71.44 H new ATOM 0 HG3 GLU A 132 -0.841 -4.599 12.109 1.00 71.44 H new ATOM 2022 N LYS A 133 -3.494 -7.738 9.284 1.00 54.02 N ATOM 2023 CA LYS A 133 -4.124 -8.277 8.073 1.00 10.14 C ATOM 2024 C LYS A 133 -4.479 -7.162 7.075 1.00 71.22 C ATOM 2025 O LYS A 133 -4.558 -5.990 7.439 1.00 3.43 O ATOM 2026 CB LYS A 133 -5.382 -9.084 8.464 1.00 15.51 C ATOM 2027 CG LYS A 133 -6.354 -8.352 9.404 1.00 51.11 C ATOM 2028 CD LYS A 133 -7.193 -7.293 8.686 1.00 40.43 C ATOM 2029 CE LYS A 133 -8.078 -6.512 9.651 1.00 10.45 C ATOM 2030 NZ LYS A 133 -7.285 -5.707 10.618 1.00 32.53 N ATOM 0 H LYS A 133 -4.156 -7.346 9.953 1.00 54.02 H new ATOM 0 HA LYS A 133 -3.412 -8.936 7.577 1.00 10.14 H new ATOM 0 HB2 LYS A 133 -5.917 -9.359 7.555 1.00 15.51 H new ATOM 0 HB3 LYS A 133 -5.067 -10.012 8.942 1.00 15.51 H new ATOM 0 HG2 LYS A 133 -7.018 -9.080 9.870 1.00 51.11 H new ATOM 0 HG3 LYS A 133 -5.788 -7.878 10.206 1.00 51.11 H new ATOM 0 HD2 LYS A 133 -6.533 -6.603 8.161 1.00 40.43 H new ATOM 0 HD3 LYS A 133 -7.816 -7.774 7.932 1.00 40.43 H new ATOM 0 HE2 LYS A 133 -8.735 -5.852 9.085 1.00 10.45 H new ATOM 0 HE3 LYS A 133 -8.717 -7.206 10.197 1.00 10.45 H new ATOM 0 HZ1 LYS A 133 -7.910 -5.032 11.103 1.00 32.53 H new ATOM 0 HZ2 LYS A 133 -6.848 -6.339 11.319 1.00 32.53 H new ATOM 0 HZ3 LYS A 133 -6.542 -5.187 10.109 1.00 32.53 H new ATOM 2044 N VAL A 134 -4.697 -7.536 5.816 1.00 13.25 N ATOM 2045 CA VAL A 134 -5.099 -6.578 4.778 1.00 35.42 C ATOM 2046 C VAL A 134 -6.538 -6.076 4.998 1.00 1.55 C ATOM 2047 O VAL A 134 -7.435 -6.856 5.337 1.00 54.52 O ATOM 2048 CB VAL A 134 -4.986 -7.207 3.364 1.00 64.34 C ATOM 2049 CG1 VAL A 134 -5.504 -6.253 2.286 1.00 21.15 C ATOM 2050 CG2 VAL A 134 -3.543 -7.610 3.075 1.00 44.30 C ATOM 0 H VAL A 134 -4.603 -8.496 5.486 1.00 13.25 H new ATOM 0 HA VAL A 134 -4.418 -5.730 4.849 1.00 35.42 H new ATOM 0 HB VAL A 134 -5.610 -8.100 3.344 1.00 64.34 H new ATOM 0 HG11 VAL A 134 -5.411 -6.724 1.308 1.00 21.15 H new ATOM 0 HG12 VAL A 134 -6.551 -6.021 2.478 1.00 21.15 H new ATOM 0 HG13 VAL A 134 -4.920 -5.333 2.303 1.00 21.15 H new ATOM 0 HG21 VAL A 134 -3.480 -8.050 2.080 1.00 44.30 H new ATOM 0 HG22 VAL A 134 -2.903 -6.729 3.124 1.00 44.30 H new ATOM 0 HG23 VAL A 134 -3.214 -8.339 3.815 1.00 44.30 H new ATOM 2060 N LEU A 135 -6.752 -4.774 4.814 1.00 12.15 N ATOM 2061 CA LEU A 135 -8.094 -4.190 4.926 1.00 33.24 C ATOM 2062 C LEU A 135 -8.927 -4.469 3.670 1.00 1.30 C ATOM 2063 O LEU A 135 -8.803 -3.764 2.676 1.00 62.33 O ATOM 2064 CB LEU A 135 -8.024 -2.669 5.169 1.00 70.24 C ATOM 2065 CG LEU A 135 -8.207 -2.218 6.626 1.00 14.21 C ATOM 2066 CD1 LEU A 135 -8.273 -0.695 6.709 1.00 64.55 C ATOM 2067 CD2 LEU A 135 -9.463 -2.844 7.226 1.00 13.42 C ATOM 0 H LEU A 135 -6.018 -4.103 4.587 1.00 12.15 H new ATOM 0 HA LEU A 135 -8.577 -4.662 5.782 1.00 33.24 H new ATOM 0 HB2 LEU A 135 -7.059 -2.307 4.814 1.00 70.24 H new ATOM 0 HB3 LEU A 135 -8.789 -2.187 4.560 1.00 70.24 H new ATOM 0 HG LEU A 135 -7.346 -2.556 7.203 1.00 14.21 H new ATOM 0 HD11 LEU A 135 -8.403 -0.393 7.748 1.00 64.55 H new ATOM 0 HD12 LEU A 135 -7.348 -0.269 6.320 1.00 64.55 H new ATOM 0 HD13 LEU A 135 -9.115 -0.335 6.118 1.00 64.55 H new ATOM 0 HD21 LEU A 135 -9.577 -2.513 8.258 1.00 13.42 H new ATOM 0 HD22 LEU A 135 -10.335 -2.536 6.648 1.00 13.42 H new ATOM 0 HD23 LEU A 135 -9.376 -3.930 7.200 1.00 13.42 H new ATOM 2079 N SER A 136 -9.775 -5.493 3.727 1.00 31.24 N ATOM 2080 CA SER A 136 -10.641 -5.850 2.592 1.00 75.13 C ATOM 2081 C SER A 136 -11.491 -4.658 2.139 1.00 54.02 C ATOM 2082 O SER A 136 -11.801 -3.769 2.933 1.00 74.12 O ATOM 2083 CB SER A 136 -11.547 -7.039 2.949 1.00 62.03 C ATOM 2084 OG SER A 136 -12.349 -6.761 4.088 1.00 61.34 O ATOM 0 H SER A 136 -9.885 -6.094 4.544 1.00 31.24 H new ATOM 0 HA SER A 136 -9.992 -6.138 1.765 1.00 75.13 H new ATOM 0 HB2 SER A 136 -12.189 -7.276 2.100 1.00 62.03 H new ATOM 0 HB3 SER A 136 -10.934 -7.920 3.141 1.00 62.03 H new ATOM 0 HG SER A 136 -12.914 -7.536 4.287 1.00 61.34 H new ATOM 2090 N VAL A 137 -11.878 -4.663 0.866 1.00 63.25 N ATOM 2091 CA VAL A 137 -12.563 -3.522 0.243 1.00 35.03 C ATOM 2092 C VAL A 137 -13.694 -2.950 1.117 1.00 34.05 C ATOM 2093 O VAL A 137 -13.712 -1.754 1.407 1.00 32.20 O ATOM 2094 CB VAL A 137 -13.137 -3.914 -1.144 1.00 74.35 C ATOM 2095 CG1 VAL A 137 -13.901 -2.748 -1.774 1.00 22.34 C ATOM 2096 CG2 VAL A 137 -12.025 -4.399 -2.076 1.00 21.41 C ATOM 0 H VAL A 137 -11.729 -5.451 0.236 1.00 63.25 H new ATOM 0 HA VAL A 137 -11.808 -2.744 0.128 1.00 35.03 H new ATOM 0 HB VAL A 137 -13.839 -4.734 -0.995 1.00 74.35 H new ATOM 0 HG11 VAL A 137 -14.292 -3.052 -2.745 1.00 22.34 H new ATOM 0 HG12 VAL A 137 -14.727 -2.461 -1.124 1.00 22.34 H new ATOM 0 HG13 VAL A 137 -13.229 -1.900 -1.903 1.00 22.34 H new ATOM 0 HG21 VAL A 137 -12.452 -4.668 -3.042 1.00 21.41 H new ATOM 0 HG22 VAL A 137 -11.292 -3.604 -2.212 1.00 21.41 H new ATOM 0 HG23 VAL A 137 -11.538 -5.271 -1.639 1.00 21.41 H new ATOM 2106 N LYS A 138 -14.626 -3.799 1.543 1.00 3.44 N ATOM 2107 CA LYS A 138 -15.779 -3.335 2.323 1.00 20.40 C ATOM 2108 C LYS A 138 -15.389 -2.937 3.759 1.00 73.34 C ATOM 2109 O LYS A 138 -15.857 -1.921 4.274 1.00 70.20 O ATOM 2110 CB LYS A 138 -16.880 -4.398 2.353 1.00 40.42 C ATOM 2111 CG LYS A 138 -18.167 -3.918 3.020 1.00 32.41 C ATOM 2112 CD LYS A 138 -19.208 -5.026 3.107 1.00 0.31 C ATOM 2113 CE LYS A 138 -18.743 -6.172 3.998 1.00 23.31 C ATOM 2114 NZ LYS A 138 -19.778 -7.226 4.123 1.00 73.31 N ATOM 0 H LYS A 138 -14.610 -4.803 1.365 1.00 3.44 H new ATOM 0 HA LYS A 138 -16.158 -2.443 1.825 1.00 20.40 H new ATOM 0 HB2 LYS A 138 -17.102 -4.709 1.332 1.00 40.42 H new ATOM 0 HB3 LYS A 138 -16.512 -5.277 2.881 1.00 40.42 H new ATOM 0 HG2 LYS A 138 -17.942 -3.552 4.022 1.00 32.41 H new ATOM 0 HG3 LYS A 138 -18.576 -3.079 2.458 1.00 32.41 H new ATOM 0 HD2 LYS A 138 -20.141 -4.618 3.497 1.00 0.31 H new ATOM 0 HD3 LYS A 138 -19.419 -5.406 2.107 1.00 0.31 H new ATOM 0 HE2 LYS A 138 -17.831 -6.605 3.587 1.00 23.31 H new ATOM 0 HE3 LYS A 138 -18.495 -5.786 4.987 1.00 23.31 H new ATOM 0 HZ1 LYS A 138 -19.425 -7.988 4.736 1.00 73.31 H new ATOM 0 HZ2 LYS A 138 -20.640 -6.819 4.538 1.00 73.31 H new ATOM 0 HZ3 LYS A 138 -19.996 -7.612 3.182 1.00 73.31 H new ATOM 2128 N GLU A 139 -14.530 -3.731 4.400 1.00 14.02 N ATOM 2129 CA GLU A 139 -14.043 -3.420 5.749 1.00 11.11 C ATOM 2130 C GLU A 139 -13.388 -2.032 5.763 1.00 34.21 C ATOM 2131 O GLU A 139 -13.562 -1.246 6.696 1.00 14.33 O ATOM 2132 CB GLU A 139 -13.041 -4.496 6.193 1.00 55.12 C ATOM 2133 CG GLU A 139 -12.477 -4.307 7.597 1.00 24.20 C ATOM 2134 CD GLU A 139 -13.528 -4.410 8.692 1.00 60.21 C ATOM 2135 OE1 GLU A 139 -14.418 -5.281 8.594 1.00 60.13 O ATOM 2136 OE2 GLU A 139 -13.446 -3.640 9.678 1.00 12.02 O ATOM 0 H GLU A 139 -14.156 -4.595 4.008 1.00 14.02 H new ATOM 0 HA GLU A 139 -14.881 -3.411 6.446 1.00 11.11 H new ATOM 0 HB2 GLU A 139 -13.529 -5.470 6.141 1.00 55.12 H new ATOM 0 HB3 GLU A 139 -12.213 -4.516 5.484 1.00 55.12 H new ATOM 0 HG2 GLU A 139 -11.705 -5.056 7.774 1.00 24.20 H new ATOM 0 HG3 GLU A 139 -11.995 -3.331 7.658 1.00 24.20 H new ATOM 2143 N LEU A 140 -12.648 -1.748 4.697 1.00 63.31 N ATOM 2144 CA LEU A 140 -12.044 -0.439 4.472 1.00 63.03 C ATOM 2145 C LEU A 140 -13.130 0.657 4.378 1.00 15.40 C ATOM 2146 O LEU A 140 -12.978 1.746 4.938 1.00 13.22 O ATOM 2147 CB LEU A 140 -11.212 -0.506 3.185 1.00 34.21 C ATOM 2148 CG LEU A 140 -9.998 0.426 3.137 1.00 64.21 C ATOM 2149 CD1 LEU A 140 -9.009 -0.046 2.082 1.00 13.31 C ATOM 2150 CD2 LEU A 140 -10.420 1.866 2.871 1.00 45.21 C ATOM 0 H LEU A 140 -12.449 -2.424 3.959 1.00 63.31 H new ATOM 0 HA LEU A 140 -11.398 -0.178 5.311 1.00 63.03 H new ATOM 0 HB2 LEU A 140 -10.867 -1.531 3.049 1.00 34.21 H new ATOM 0 HB3 LEU A 140 -11.861 -0.273 2.341 1.00 34.21 H new ATOM 0 HG LEU A 140 -9.510 0.396 4.111 1.00 64.21 H new ATOM 0 HD11 LEU A 140 -8.152 0.627 2.060 1.00 13.31 H new ATOM 0 HD12 LEU A 140 -8.673 -1.054 2.324 1.00 13.31 H new ATOM 0 HD13 LEU A 140 -9.493 -0.049 1.105 1.00 13.31 H new ATOM 0 HD21 LEU A 140 -9.537 2.505 2.842 1.00 45.21 H new ATOM 0 HD22 LEU A 140 -10.940 1.922 1.914 1.00 45.21 H new ATOM 0 HD23 LEU A 140 -11.086 2.203 3.666 1.00 45.21 H new ATOM 2162 N LEU A 141 -14.234 0.350 3.682 1.00 43.54 N ATOM 2163 CA LEU A 141 -15.363 1.285 3.552 1.00 3.03 C ATOM 2164 C LEU A 141 -15.920 1.661 4.929 1.00 65.03 C ATOM 2165 O LEU A 141 -16.020 2.837 5.276 1.00 32.21 O ATOM 2166 CB LEU A 141 -16.500 0.670 2.721 1.00 54.11 C ATOM 2167 CG LEU A 141 -16.119 0.157 1.328 1.00 63.41 C ATOM 2168 CD1 LEU A 141 -17.338 -0.439 0.629 1.00 70.32 C ATOM 2169 CD2 LEU A 141 -15.492 1.265 0.488 1.00 30.23 C ATOM 0 H LEU A 141 -14.370 -0.539 3.200 1.00 43.54 H new ATOM 0 HA LEU A 141 -14.984 2.175 3.049 1.00 3.03 H new ATOM 0 HB2 LEU A 141 -16.928 -0.158 3.286 1.00 54.11 H new ATOM 0 HB3 LEU A 141 -17.285 1.418 2.608 1.00 54.11 H new ATOM 0 HG LEU A 141 -15.373 -0.629 1.445 1.00 63.41 H new ATOM 0 HD11 LEU A 141 -17.051 -0.799 -0.359 1.00 70.32 H new ATOM 0 HD12 LEU A 141 -17.726 -1.269 1.219 1.00 70.32 H new ATOM 0 HD13 LEU A 141 -18.109 0.325 0.527 1.00 70.32 H new ATOM 0 HD21 LEU A 141 -15.231 0.873 -0.495 1.00 30.23 H new ATOM 0 HD22 LEU A 141 -16.203 2.083 0.376 1.00 30.23 H new ATOM 0 HD23 LEU A 141 -14.592 1.632 0.982 1.00 30.23 H new