USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.8!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.13) USER MOD Single : A 77 SER OG : rot 21:sc= 0.483 USER MOD Single : A 80 SER OG : rot -43:sc= 0.893 USER MOD Single : A 81 SER OG : rot 147:sc= -1.36 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 91 THR OG1 : rot -27:sc= -1.01 USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= -0.172 (180deg=-0.773) USER MOD Single : A 94 GLN : amide:sc= -0.84 K(o=-0.84,f=-5.6!) USER MOD Single : A 97 THR OG1 : rot -90:sc= -1.52 USER MOD Single : A 100 GLN : amide:sc= 0.107 X(o=0.11,f=-0.0013) USER MOD Single : A 102 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=-0.036) USER MOD Single : A 104 GLN : amide:sc= -5.05! C(o=-5!,f=-10!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 36:sc= 0.206 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.0298 X(o=0.03,f=0) USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= -0.0454 (180deg=-0.302) USER MOD Single : A 121 LYS NZ :NH3+ -116:sc= -0.641 (180deg=-2.35!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.12) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -1.19 X(o=-1.2,f=-0.74) USER MOD Single : A 136 THR OG1 : rot 12:sc= -0.586 USER MOD Single : A 141 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 145 GLN : amide:sc= -5.04! C(o=-5!,f=-3.9!) USER MOD Single : B 518 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.056) USER MOD Single : B 519 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 523 THR OG1 : rot 180:sc= 0 USER MOD Single : B 527 SER OG : rot 180:sc= 0.0629 USER MOD Single : B 529 SER OG : rot -45:sc= 1.07 USER MOD Single : B 531 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.4) USER MOD Single : B 532 ASN : amide:sc= -0.0476 X(o=-0.048,f=-0.37) USER MOD Single : B 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 536 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 SER OG : rot 180:sc= -0.305 USER MOD Single : B 545 LYS NZ :NH3+ 158:sc= 0.0622 (180deg=-0.0449) USER MOD Single : B 547 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 553 TYR OH : rot 180:sc= 0 USER MOD Single : B 558 GLN : amide:sc= -0.0395 X(o=-0.04,f=-0.013) USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 69 16.143 -26.620 -40.708 1.00 74.20 N ATOM 2 CA MET A 69 15.924 -25.883 -39.470 1.00 31.11 C ATOM 3 C MET A 69 14.700 -24.981 -39.583 1.00 50.54 C ATOM 4 O MET A 69 14.459 -24.373 -40.627 1.00 3.54 O ATOM 5 CB MET A 69 17.158 -25.048 -39.123 1.00 33.12 C ATOM 6 CG MET A 69 18.194 -25.802 -38.306 1.00 34.21 C ATOM 7 SD MET A 69 19.367 -24.705 -37.487 1.00 30.11 S ATOM 8 CE MET A 69 20.923 -25.413 -38.021 1.00 32.55 C ATOM 0 HA MET A 69 15.748 -26.605 -38.673 1.00 31.11 H new ATOM 0 HB2 MET A 69 17.620 -24.698 -40.046 1.00 33.12 H new ATOM 0 HB3 MET A 69 16.844 -24.164 -38.568 1.00 33.12 H new ATOM 0 HG2 MET A 69 17.687 -26.410 -37.557 1.00 34.21 H new ATOM 0 HG3 MET A 69 18.737 -26.486 -38.958 1.00 34.21 H new ATOM 0 HE1 MET A 69 21.748 -24.842 -37.595 1.00 32.55 H new ATOM 0 HE2 MET A 69 20.986 -26.448 -37.685 1.00 32.55 H new ATOM 0 HE3 MET A 69 20.983 -25.381 -39.109 1.00 32.55 H new ATOM 18 N ASP A 70 13.928 -24.899 -38.505 1.00 23.23 N ATOM 19 CA ASP A 70 12.729 -24.069 -38.484 1.00 34.14 C ATOM 20 C ASP A 70 13.093 -22.588 -38.466 1.00 65.45 C ATOM 21 O ASP A 70 14.124 -22.198 -37.920 1.00 24.10 O ATOM 22 CB ASP A 70 11.869 -24.409 -37.266 1.00 21.10 C ATOM 23 CG ASP A 70 12.395 -23.779 -35.991 1.00 71.45 C ATOM 24 OD1 ASP A 70 11.669 -22.956 -35.392 1.00 15.14 O ATOM 25 OD2 ASP A 70 13.530 -24.107 -35.592 1.00 53.42 O1- ATOM 0 H ASP A 70 14.111 -25.397 -37.634 1.00 23.23 H new ATOM 0 HA ASP A 70 12.160 -24.274 -39.391 1.00 34.14 H new ATOM 0 HB2 ASP A 70 10.848 -24.071 -37.440 1.00 21.10 H new ATOM 0 HB3 ASP A 70 11.830 -25.491 -37.143 1.00 21.10 H new ATOM 30 N ASN A 71 12.239 -21.766 -39.068 1.00 22.14 N ATOM 31 CA ASN A 71 12.471 -20.328 -39.124 1.00 34.12 C ATOM 32 C ASN A 71 11.373 -19.571 -38.383 1.00 4.12 C ATOM 33 O ASN A 71 10.187 -19.848 -38.557 1.00 65.53 O ATOM 34 CB ASN A 71 12.539 -19.857 -40.579 1.00 71.13 C ATOM 35 CG ASN A 71 13.930 -19.990 -41.165 1.00 0.32 C ATOM 36 OD1 ASN A 71 14.854 -20.460 -40.500 1.00 3.23 O ATOM 37 ND2 ASN A 71 14.087 -19.576 -42.417 1.00 4.42 N ATOM 0 H ASN A 71 11.380 -22.072 -39.524 1.00 22.14 H new ATOM 0 HA ASN A 71 13.424 -20.119 -38.637 1.00 34.12 H new ATOM 0 HB2 ASN A 71 11.838 -20.437 -41.179 1.00 71.13 H new ATOM 0 HB3 ASN A 71 12.222 -18.816 -40.636 1.00 71.13 H new ATOM 0 HD21 ASN A 71 15.001 -19.641 -42.865 1.00 4.42 H new ATOM 0 HD22 ASN A 71 13.293 -19.193 -42.931 1.00 4.42 H new ATOM 44 N SER A 72 11.779 -18.612 -37.556 1.00 3.04 N ATOM 45 CA SER A 72 10.830 -17.816 -36.786 1.00 45.25 C ATOM 46 C SER A 72 11.149 -16.329 -36.901 1.00 31.43 C ATOM 47 O SER A 72 12.105 -15.938 -37.570 1.00 24.42 O ATOM 48 CB SER A 72 10.849 -18.241 -35.317 1.00 33.44 C ATOM 49 OG SER A 72 10.153 -19.461 -35.129 1.00 30.22 O ATOM 0 H SER A 72 12.757 -18.368 -37.402 1.00 3.04 H new ATOM 0 HA SER A 72 9.834 -17.989 -37.194 1.00 45.25 H new ATOM 0 HB2 SER A 72 11.880 -18.352 -34.981 1.00 33.44 H new ATOM 0 HB3 SER A 72 10.396 -17.462 -34.704 1.00 33.44 H new ATOM 0 HG SER A 72 10.182 -19.711 -34.182 1.00 30.22 H new ATOM 55 N ALA A 73 10.341 -15.504 -36.243 1.00 32.23 N ATOM 56 CA ALA A 73 10.537 -14.059 -36.269 1.00 1.24 C ATOM 57 C ALA A 73 11.494 -13.616 -35.168 1.00 73.54 C ATOM 58 O ALA A 73 12.046 -14.442 -34.441 1.00 43.12 O ATOM 59 CB ALA A 73 9.202 -13.343 -36.131 1.00 50.03 C ATOM 0 H ALA A 73 9.544 -15.811 -35.685 1.00 32.23 H new ATOM 0 HA ALA A 73 10.981 -13.794 -37.229 1.00 1.24 H new ATOM 0 HB1 ALA A 73 9.363 -12.265 -36.152 1.00 50.03 H new ATOM 0 HB2 ALA A 73 8.549 -13.628 -36.956 1.00 50.03 H new ATOM 0 HB3 ALA A 73 8.736 -13.622 -35.186 1.00 50.03 H new ATOM 65 N SER A 74 11.688 -12.306 -35.050 1.00 65.05 N ATOM 66 CA SER A 74 12.582 -11.753 -34.040 1.00 24.22 C ATOM 67 C SER A 74 11.827 -11.465 -32.746 1.00 51.35 C ATOM 68 O SER A 74 10.618 -11.233 -32.755 1.00 13.12 O ATOM 69 CB SER A 74 13.238 -10.471 -34.557 1.00 11.40 C ATOM 70 OG SER A 74 13.671 -9.652 -33.485 1.00 64.15 O ATOM 0 H SER A 74 11.238 -11.608 -35.642 1.00 65.05 H new ATOM 0 HA SER A 74 13.357 -12.491 -33.832 1.00 24.22 H new ATOM 0 HB2 SER A 74 14.087 -10.724 -35.192 1.00 11.40 H new ATOM 0 HB3 SER A 74 12.530 -9.921 -35.176 1.00 11.40 H new ATOM 0 HG SER A 74 14.088 -8.840 -33.841 1.00 64.15 H new ATOM 76 N LYS A 75 12.550 -11.481 -31.631 1.00 51.20 N ATOM 77 CA LYS A 75 11.952 -11.221 -30.327 1.00 61.13 C ATOM 78 C LYS A 75 12.960 -10.567 -29.386 1.00 14.21 C ATOM 79 O LYS A 75 14.157 -10.842 -29.456 1.00 53.03 O ATOM 80 CB LYS A 75 11.434 -12.523 -29.711 1.00 4.54 C ATOM 81 CG LYS A 75 10.933 -12.365 -28.286 1.00 70.10 C ATOM 82 CD LYS A 75 10.562 -13.705 -27.673 1.00 22.54 C ATOM 83 CE LYS A 75 9.775 -13.529 -26.384 1.00 42.01 C ATOM 84 NZ LYS A 75 9.735 -14.785 -25.584 1.00 3.24 N1+ ATOM 0 H LYS A 75 13.552 -11.671 -31.605 1.00 51.20 H new ATOM 0 HA LYS A 75 11.116 -10.536 -30.469 1.00 61.13 H new ATOM 0 HB2 LYS A 75 10.626 -12.912 -30.330 1.00 4.54 H new ATOM 0 HB3 LYS A 75 12.232 -13.265 -29.726 1.00 4.54 H new ATOM 0 HG2 LYS A 75 11.703 -11.887 -27.680 1.00 70.10 H new ATOM 0 HG3 LYS A 75 10.065 -11.706 -28.276 1.00 70.10 H new ATOM 0 HD2 LYS A 75 9.971 -14.281 -28.385 1.00 22.54 H new ATOM 0 HD3 LYS A 75 11.467 -14.278 -27.472 1.00 22.54 H new ATOM 0 HE2 LYS A 75 10.225 -12.734 -25.789 1.00 42.01 H new ATOM 0 HE3 LYS A 75 8.758 -13.215 -26.619 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 9.190 -14.625 -24.713 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 9.283 -15.538 -26.142 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 10.704 -15.071 -25.338 1.00 3.24 H new ATOM 98 N ASN A 76 12.467 -9.702 -28.507 1.00 3.42 N ATOM 99 CA ASN A 76 13.324 -9.010 -27.551 1.00 15.21 C ATOM 100 C ASN A 76 14.051 -10.006 -26.653 1.00 1.14 C ATOM 101 O ASN A 76 13.969 -11.217 -26.857 1.00 24.43 O ATOM 102 CB ASN A 76 12.500 -8.045 -26.698 1.00 52.35 C ATOM 103 CG ASN A 76 11.424 -8.754 -25.898 1.00 1.44 C ATOM 104 OD1 ASN A 76 11.676 -9.243 -24.797 1.00 51.55 O ATOM 105 ND2 ASN A 76 10.218 -8.814 -26.451 1.00 51.31 N ATOM 0 H ASN A 76 11.478 -9.463 -28.436 1.00 3.42 H new ATOM 0 HA ASN A 76 14.067 -8.443 -28.112 1.00 15.21 H new ATOM 0 HB2 ASN A 76 13.162 -7.510 -26.017 1.00 52.35 H new ATOM 0 HB3 ASN A 76 12.037 -7.299 -27.343 1.00 52.35 H new ATOM 0 HD21 ASN A 76 9.455 -9.280 -25.960 1.00 51.31 H new ATOM 0 HD22 ASN A 76 10.055 -8.394 -27.366 1.00 51.31 H new ATOM 112 N SER A 77 14.762 -9.487 -25.657 1.00 4.44 N ATOM 113 CA SER A 77 15.506 -10.330 -24.728 1.00 12.05 C ATOM 114 C SER A 77 15.687 -9.630 -23.385 1.00 25.02 C ATOM 115 O SER A 77 15.826 -8.408 -23.322 1.00 34.10 O ATOM 116 CB SER A 77 16.872 -10.691 -25.316 1.00 2.00 C ATOM 117 OG SER A 77 16.769 -11.786 -26.209 1.00 22.15 O ATOM 0 H SER A 77 14.839 -8.487 -25.473 1.00 4.44 H new ATOM 0 HA SER A 77 14.934 -11.244 -24.567 1.00 12.05 H new ATOM 0 HB2 SER A 77 17.286 -9.829 -25.839 1.00 2.00 H new ATOM 0 HB3 SER A 77 17.564 -10.938 -24.511 1.00 2.00 H new ATOM 0 HG SER A 77 15.844 -11.866 -26.523 1.00 22.15 H new ATOM 123 N ALA A 78 15.684 -10.413 -22.311 1.00 22.23 N ATOM 124 CA ALA A 78 15.850 -9.870 -20.969 1.00 11.51 C ATOM 125 C ALA A 78 17.303 -9.492 -20.705 1.00 34.52 C ATOM 126 O ALA A 78 17.989 -10.142 -19.913 1.00 71.44 O ATOM 127 CB ALA A 78 15.365 -10.871 -19.930 1.00 23.42 C ATOM 0 H ALA A 78 15.568 -11.426 -22.345 1.00 22.23 H new ATOM 0 HA ALA A 78 15.248 -8.965 -20.894 1.00 11.51 H new ATOM 0 HB1 ALA A 78 15.495 -10.452 -18.932 1.00 23.42 H new ATOM 0 HB2 ALA A 78 14.310 -11.087 -20.098 1.00 23.42 H new ATOM 0 HB3 ALA A 78 15.942 -11.792 -20.015 1.00 23.42 H new ATOM 133 N ILE A 79 17.767 -8.441 -21.371 1.00 74.14 N ATOM 134 CA ILE A 79 19.140 -7.979 -21.207 1.00 71.01 C ATOM 135 C ILE A 79 19.179 -6.584 -20.592 1.00 71.13 C ATOM 136 O ILE A 79 18.698 -5.618 -21.185 1.00 10.44 O ATOM 137 CB ILE A 79 19.891 -7.956 -22.552 1.00 31.22 C ATOM 138 CG1 ILE A 79 21.291 -7.367 -22.369 1.00 14.41 C ATOM 139 CG2 ILE A 79 19.106 -7.160 -23.584 1.00 3.00 C ATOM 140 CD1 ILE A 79 22.154 -7.465 -23.607 1.00 1.13 C ATOM 0 H ILE A 79 17.213 -7.893 -22.029 1.00 74.14 H new ATOM 0 HA ILE A 79 19.633 -8.684 -20.537 1.00 71.01 H new ATOM 0 HB ILE A 79 19.992 -8.980 -22.912 1.00 31.22 H new ATOM 0 HG12 ILE A 79 21.201 -6.320 -22.081 1.00 14.41 H new ATOM 0 HG13 ILE A 79 21.789 -7.882 -21.547 1.00 14.41 H new ATOM 0 HG21 ILE A 79 19.650 -7.153 -24.529 1.00 3.00 H new ATOM 0 HG22 ILE A 79 18.129 -7.619 -23.731 1.00 3.00 H new ATOM 0 HG23 ILE A 79 18.977 -6.136 -23.232 1.00 3.00 H new ATOM 0 HD11 ILE A 79 23.132 -7.028 -23.404 1.00 1.13 H new ATOM 0 HD12 ILE A 79 22.275 -8.512 -23.884 1.00 1.13 H new ATOM 0 HD13 ILE A 79 21.678 -6.925 -24.426 1.00 1.13 H new ATOM 152 N SER A 80 19.759 -6.485 -19.399 1.00 54.20 N ATOM 153 CA SER A 80 19.861 -5.209 -18.703 1.00 1.35 C ATOM 154 C SER A 80 21.318 -4.775 -18.572 1.00 11.25 C ATOM 155 O SER A 80 21.716 -4.191 -17.564 1.00 61.02 O ATOM 156 CB SER A 80 19.221 -5.307 -17.317 1.00 45.00 C ATOM 157 OG SER A 80 19.247 -4.056 -16.652 1.00 4.14 O ATOM 0 H SER A 80 20.165 -7.274 -18.895 1.00 54.20 H new ATOM 0 HA SER A 80 19.328 -4.461 -19.290 1.00 1.35 H new ATOM 0 HB2 SER A 80 18.191 -5.650 -17.412 1.00 45.00 H new ATOM 0 HB3 SER A 80 19.750 -6.050 -16.721 1.00 45.00 H new ATOM 0 HG SER A 80 20.123 -3.636 -16.779 1.00 4.14 H new ATOM 163 N SER A 81 22.110 -5.066 -19.600 1.00 72.10 N ATOM 164 CA SER A 81 23.523 -4.711 -19.600 1.00 3.34 C ATOM 165 C SER A 81 23.728 -3.297 -20.136 1.00 74.11 C ATOM 166 O SER A 81 22.767 -2.577 -20.402 1.00 52.22 O ATOM 167 CB SER A 81 24.322 -5.709 -20.441 1.00 32.25 C ATOM 168 OG SER A 81 23.818 -5.778 -21.764 1.00 4.53 O ATOM 0 H SER A 81 21.796 -5.547 -20.443 1.00 72.10 H new ATOM 0 HA SER A 81 23.881 -4.746 -18.571 1.00 3.34 H new ATOM 0 HB2 SER A 81 25.371 -5.414 -20.463 1.00 32.25 H new ATOM 0 HB3 SER A 81 24.278 -6.696 -19.980 1.00 32.25 H new ATOM 0 HG SER A 81 24.555 -5.951 -22.386 1.00 4.53 H new ATOM 174 N SER A 82 24.990 -2.907 -20.292 1.00 64.12 N ATOM 175 CA SER A 82 25.323 -1.579 -20.794 1.00 73.52 C ATOM 176 C SER A 82 25.413 -1.580 -22.316 1.00 10.43 C ATOM 177 O SER A 82 26.504 -1.520 -22.884 1.00 22.43 O ATOM 178 CB SER A 82 26.646 -1.101 -20.193 1.00 44.04 C ATOM 179 OG SER A 82 26.693 -1.350 -18.798 1.00 54.11 O ATOM 0 H SER A 82 25.798 -3.492 -20.078 1.00 64.12 H new ATOM 0 HA SER A 82 24.529 -0.895 -20.496 1.00 73.52 H new ATOM 0 HB2 SER A 82 27.476 -1.608 -20.684 1.00 44.04 H new ATOM 0 HB3 SER A 82 26.769 -0.034 -20.379 1.00 44.04 H new ATOM 0 HG SER A 82 27.549 -1.037 -18.438 1.00 54.11 H new ATOM 185 N ILE A 83 24.259 -1.648 -22.971 1.00 3.54 N ATOM 186 CA ILE A 83 24.207 -1.656 -24.428 1.00 1.04 C ATOM 187 C ILE A 83 25.001 -0.492 -25.012 1.00 52.44 C ATOM 188 O ILE A 83 25.597 -0.609 -26.083 1.00 74.14 O ATOM 189 CB ILE A 83 22.756 -1.582 -24.940 1.00 20.12 C ATOM 190 CG1 ILE A 83 22.716 -1.799 -26.454 1.00 73.13 C ATOM 191 CG2 ILE A 83 22.134 -0.243 -24.574 1.00 13.24 C ATOM 192 CD1 ILE A 83 21.388 -2.327 -26.953 1.00 71.04 C ATOM 0 H ILE A 83 23.347 -1.698 -22.516 1.00 3.54 H new ATOM 0 HA ILE A 83 24.651 -2.596 -24.755 1.00 1.04 H new ATOM 0 HB ILE A 83 22.176 -2.372 -24.463 1.00 20.12 H new ATOM 0 HG12 ILE A 83 22.934 -0.855 -26.954 1.00 73.13 H new ATOM 0 HG13 ILE A 83 23.504 -2.498 -26.734 1.00 73.13 H new ATOM 0 HG21 ILE A 83 21.109 -0.205 -24.942 1.00 13.24 H new ATOM 0 HG22 ILE A 83 22.135 -0.125 -23.490 1.00 13.24 H new ATOM 0 HG23 ILE A 83 22.712 0.563 -25.027 1.00 13.24 H new ATOM 0 HD11 ILE A 83 21.431 -2.457 -28.034 1.00 71.04 H new ATOM 0 HD12 ILE A 83 21.177 -3.286 -26.480 1.00 71.04 H new ATOM 0 HD13 ILE A 83 20.598 -1.618 -26.704 1.00 71.04 H new ATOM 204 N PHE A 84 25.006 0.630 -24.301 1.00 22.43 N ATOM 205 CA PHE A 84 25.727 1.816 -24.748 1.00 52.22 C ATOM 206 C PHE A 84 27.177 1.477 -25.082 1.00 1.23 C ATOM 207 O PHE A 84 27.765 2.052 -25.999 1.00 0.11 O ATOM 208 CB PHE A 84 25.681 2.903 -23.673 1.00 51.20 C ATOM 209 CG PHE A 84 24.401 3.691 -23.671 1.00 42.14 C ATOM 210 CD1 PHE A 84 23.583 3.707 -22.553 1.00 24.13 C ATOM 211 CD2 PHE A 84 24.016 4.413 -24.788 1.00 23.11 C ATOM 212 CE1 PHE A 84 22.406 4.431 -22.548 1.00 43.41 C ATOM 213 CE2 PHE A 84 22.840 5.139 -24.789 1.00 3.54 C ATOM 214 CZ PHE A 84 22.033 5.147 -23.668 1.00 63.45 C ATOM 0 H PHE A 84 24.519 0.743 -23.412 1.00 22.43 H new ATOM 0 HA PHE A 84 25.241 2.187 -25.651 1.00 52.22 H new ATOM 0 HB2 PHE A 84 25.816 2.441 -22.695 1.00 51.20 H new ATOM 0 HB3 PHE A 84 26.518 3.585 -23.821 1.00 51.20 H new ATOM 0 HD1 PHE A 84 23.869 3.147 -21.675 1.00 24.13 H new ATOM 0 HD2 PHE A 84 24.642 4.409 -25.668 1.00 23.11 H new ATOM 0 HE1 PHE A 84 21.779 4.437 -21.669 1.00 43.41 H new ATOM 0 HE2 PHE A 84 22.552 5.700 -25.666 1.00 3.54 H new ATOM 0 HZ PHE A 84 21.113 5.712 -23.668 1.00 63.45 H new ATOM 224 N CYS A 85 27.746 0.541 -24.331 1.00 41.44 N ATOM 225 CA CYS A 85 29.128 0.125 -24.546 1.00 10.24 C ATOM 226 C CYS A 85 29.370 -0.226 -26.009 1.00 23.33 C ATOM 227 O CYS A 85 30.405 0.120 -26.578 1.00 44.32 O ATOM 228 CB CYS A 85 29.465 -1.074 -23.659 1.00 12.32 C ATOM 229 SG CYS A 85 31.232 -1.453 -23.569 1.00 24.32 S ATOM 0 H CYS A 85 27.273 0.056 -23.569 1.00 41.44 H new ATOM 0 HA CYS A 85 29.777 0.959 -24.280 1.00 10.24 H new ATOM 0 HB2 CYS A 85 29.094 -0.883 -22.652 1.00 12.32 H new ATOM 0 HB3 CYS A 85 28.935 -1.950 -24.034 1.00 12.32 H new ATOM 0 HG CYS A 85 31.416 -2.481 -22.794 1.00 24.32 H new ATOM 235 N GLU A 86 28.407 -0.916 -26.615 1.00 41.31 N ATOM 236 CA GLU A 86 28.517 -1.315 -28.012 1.00 23.33 C ATOM 237 C GLU A 86 28.046 -0.197 -28.937 1.00 54.43 C ATOM 238 O GLU A 86 28.518 -0.069 -30.066 1.00 14.41 O ATOM 239 CB GLU A 86 27.700 -2.583 -28.269 1.00 70.34 C ATOM 240 CG GLU A 86 27.891 -3.656 -27.211 1.00 12.31 C ATOM 241 CD GLU A 86 29.345 -3.837 -26.820 1.00 71.01 C ATOM 242 OE1 GLU A 86 29.745 -3.309 -25.761 1.00 12.02 O ATOM 243 OE2 GLU A 86 30.083 -4.506 -27.573 1.00 72.23 O1- ATOM 0 H GLU A 86 27.543 -1.209 -26.159 1.00 41.31 H new ATOM 0 HA GLU A 86 29.567 -1.519 -28.223 1.00 23.33 H new ATOM 0 HB2 GLU A 86 26.644 -2.320 -28.321 1.00 70.34 H new ATOM 0 HB3 GLU A 86 27.975 -2.991 -29.242 1.00 70.34 H new ATOM 0 HG2 GLU A 86 27.310 -3.396 -26.326 1.00 12.31 H new ATOM 0 HG3 GLU A 86 27.498 -4.602 -27.583 1.00 12.31 H new ATOM 250 N LYS A 87 27.111 0.611 -28.449 1.00 3.45 N ATOM 251 CA LYS A 87 26.575 1.721 -29.229 1.00 44.40 C ATOM 252 C LYS A 87 27.699 2.591 -29.781 1.00 54.55 C ATOM 253 O LYS A 87 27.541 3.246 -30.812 1.00 13.23 O ATOM 254 CB LYS A 87 25.635 2.569 -28.369 1.00 41.11 C ATOM 255 CG LYS A 87 24.315 1.886 -28.057 1.00 30.21 C ATOM 256 CD LYS A 87 23.347 1.982 -29.225 1.00 62.43 C ATOM 257 CE LYS A 87 21.901 1.966 -28.753 1.00 44.42 C ATOM 258 NZ LYS A 87 20.963 1.612 -29.854 1.00 70.52 N1+ ATOM 0 H LYS A 87 26.708 0.518 -27.516 1.00 3.45 H new ATOM 0 HA LYS A 87 26.015 1.306 -30.067 1.00 44.40 H new ATOM 0 HB2 LYS A 87 26.136 2.817 -27.433 1.00 41.11 H new ATOM 0 HB3 LYS A 87 25.435 3.510 -28.883 1.00 41.11 H new ATOM 0 HG2 LYS A 87 24.494 0.838 -27.817 1.00 30.21 H new ATOM 0 HG3 LYS A 87 23.868 2.343 -27.174 1.00 30.21 H new ATOM 0 HD2 LYS A 87 23.539 2.898 -29.783 1.00 62.43 H new ATOM 0 HD3 LYS A 87 23.517 1.151 -29.909 1.00 62.43 H new ATOM 0 HE2 LYS A 87 21.792 1.249 -27.939 1.00 44.42 H new ATOM 0 HE3 LYS A 87 21.639 2.945 -28.353 1.00 44.42 H new ATOM 0 HZ1 LYS A 87 19.988 1.612 -29.493 1.00 70.52 H new ATOM 0 HZ2 LYS A 87 21.048 2.310 -30.620 1.00 70.52 H new ATOM 0 HZ3 LYS A 87 21.197 0.667 -30.219 1.00 70.52 H new ATOM 272 N TYR A 88 28.834 2.593 -29.090 1.00 73.21 N ATOM 273 CA TYR A 88 29.984 3.384 -29.512 1.00 74.10 C ATOM 274 C TYR A 88 30.284 3.164 -30.991 1.00 50.10 C ATOM 275 O TYR A 88 30.768 4.063 -31.680 1.00 0.51 O ATOM 276 CB TYR A 88 31.211 3.024 -28.672 1.00 0.31 C ATOM 277 CG TYR A 88 31.995 1.852 -29.216 1.00 53.54 C ATOM 278 CD1 TYR A 88 31.451 0.574 -29.229 1.00 4.10 C ATOM 279 CD2 TYR A 88 33.279 2.022 -29.717 1.00 2.51 C ATOM 280 CE1 TYR A 88 32.164 -0.502 -29.725 1.00 5.54 C ATOM 281 CE2 TYR A 88 33.999 0.953 -30.216 1.00 45.43 C ATOM 282 CZ TYR A 88 33.437 -0.307 -30.218 1.00 51.51 C ATOM 283 OH TYR A 88 34.150 -1.373 -30.713 1.00 33.11 O ATOM 0 H TYR A 88 28.982 2.056 -28.236 1.00 73.21 H new ATOM 0 HA TYR A 88 29.744 4.437 -29.362 1.00 74.10 H new ATOM 0 HB2 TYR A 88 31.867 3.892 -28.612 1.00 0.31 H new ATOM 0 HB3 TYR A 88 30.891 2.795 -27.656 1.00 0.31 H new ATOM 0 HD1 TYR A 88 30.454 0.418 -28.845 1.00 4.10 H new ATOM 0 HD2 TYR A 88 33.723 3.007 -29.717 1.00 2.51 H new ATOM 0 HE1 TYR A 88 31.726 -1.489 -29.726 1.00 5.54 H new ATOM 0 HE2 TYR A 88 34.996 1.103 -30.602 1.00 45.43 H new ATOM 0 HH TYR A 88 35.028 -1.065 -31.022 1.00 33.11 H new ATOM 293 N LYS A 89 29.992 1.961 -31.475 1.00 34.53 N ATOM 294 CA LYS A 89 30.227 1.620 -32.873 1.00 32.43 C ATOM 295 C LYS A 89 29.336 2.450 -33.792 1.00 22.43 C ATOM 296 O LYS A 89 29.827 3.210 -34.625 1.00 3.10 O ATOM 297 CB LYS A 89 29.972 0.130 -33.106 1.00 53.34 C ATOM 298 CG LYS A 89 30.559 -0.392 -34.405 1.00 63.43 C ATOM 299 CD LYS A 89 29.816 -1.622 -34.899 1.00 14.45 C ATOM 300 CE LYS A 89 29.748 -1.660 -36.418 1.00 72.22 C ATOM 301 NZ LYS A 89 29.549 -3.044 -36.930 1.00 43.33 N1+ ATOM 0 H LYS A 89 29.592 1.205 -30.919 1.00 34.53 H new ATOM 0 HA LYS A 89 31.268 1.844 -33.106 1.00 32.43 H new ATOM 0 HB2 LYS A 89 30.391 -0.436 -32.274 1.00 53.34 H new ATOM 0 HB3 LYS A 89 28.897 -0.051 -33.105 1.00 53.34 H new ATOM 0 HG2 LYS A 89 30.516 0.389 -35.164 1.00 63.43 H new ATOM 0 HG3 LYS A 89 31.611 -0.636 -34.258 1.00 63.43 H new ATOM 0 HD2 LYS A 89 30.314 -2.520 -34.534 1.00 14.45 H new ATOM 0 HD3 LYS A 89 28.806 -1.628 -34.488 1.00 14.45 H new ATOM 0 HE2 LYS A 89 28.931 -1.025 -36.761 1.00 72.22 H new ATOM 0 HE3 LYS A 89 30.668 -1.248 -36.833 1.00 72.22 H new ATOM 0 HZ1 LYS A 89 29.508 -3.027 -37.969 1.00 43.33 H new ATOM 0 HZ2 LYS A 89 30.341 -3.644 -36.624 1.00 43.33 H new ATOM 0 HZ3 LYS A 89 28.659 -3.428 -36.555 1.00 43.33 H new ATOM 315 N GLN A 90 28.025 2.297 -33.633 1.00 2.13 N ATOM 316 CA GLN A 90 27.066 3.032 -34.449 1.00 14.13 C ATOM 317 C GLN A 90 27.330 4.533 -34.379 1.00 2.13 C ATOM 318 O GLN A 90 27.304 5.228 -35.396 1.00 41.43 O ATOM 319 CB GLN A 90 25.638 2.731 -33.993 1.00 44.13 C ATOM 320 CG GLN A 90 24.627 2.712 -35.128 1.00 72.41 C ATOM 321 CD GLN A 90 24.628 1.401 -35.888 1.00 65.22 C ATOM 322 OE1 GLN A 90 24.835 1.373 -37.101 1.00 14.22 O ATOM 323 NE2 GLN A 90 24.395 0.304 -35.176 1.00 61.02 N ATOM 0 H GLN A 90 27.603 1.671 -32.947 1.00 2.13 H new ATOM 0 HA GLN A 90 27.184 2.708 -35.483 1.00 14.13 H new ATOM 0 HB2 GLN A 90 25.623 1.765 -33.488 1.00 44.13 H new ATOM 0 HB3 GLN A 90 25.335 3.479 -33.260 1.00 44.13 H new ATOM 0 HG2 GLN A 90 23.631 2.893 -34.725 1.00 72.41 H new ATOM 0 HG3 GLN A 90 24.845 3.528 -35.818 1.00 72.41 H new ATOM 0 HE21 GLN A 90 24.228 0.373 -34.172 1.00 61.02 H new ATOM 0 HE22 GLN A 90 24.383 -0.608 -35.633 1.00 61.02 H new ATOM 332 N THR A 91 27.582 5.028 -33.172 1.00 22.11 N ATOM 333 CA THR A 91 27.849 6.447 -32.968 1.00 23.40 C ATOM 334 C THR A 91 29.047 6.905 -33.792 1.00 53.31 C ATOM 335 O THR A 91 28.950 7.851 -34.573 1.00 13.14 O ATOM 336 CB THR A 91 28.112 6.761 -31.483 1.00 43.34 C ATOM 337 OG1 THR A 91 29.279 6.063 -31.033 1.00 21.23 O ATOM 338 CG2 THR A 91 26.918 6.366 -30.626 1.00 21.32 C ATOM 0 H THR A 91 27.607 4.468 -32.320 1.00 22.11 H new ATOM 0 HA THR A 91 26.960 6.986 -33.294 1.00 23.40 H new ATOM 0 HB THR A 91 28.271 7.835 -31.385 1.00 43.34 H new ATOM 0 HG1 THR A 91 29.400 5.250 -31.566 1.00 21.23 H new ATOM 0 HG21 THR A 91 27.127 6.597 -29.582 1.00 21.32 H new ATOM 0 HG22 THR A 91 26.038 6.920 -30.951 1.00 21.32 H new ATOM 0 HG23 THR A 91 26.733 5.297 -30.731 1.00 21.32 H new ATOM 346 N LYS A 92 30.176 6.228 -33.614 1.00 31.12 N ATOM 347 CA LYS A 92 31.393 6.564 -34.342 1.00 63.03 C ATOM 348 C LYS A 92 31.137 6.589 -35.846 1.00 75.23 C ATOM 349 O LYS A 92 31.596 7.491 -36.546 1.00 51.33 O ATOM 350 CB LYS A 92 32.499 5.558 -34.020 1.00 4.45 C ATOM 351 CG LYS A 92 33.863 6.196 -33.821 1.00 1.42 C ATOM 352 CD LYS A 92 34.110 6.541 -32.361 1.00 63.25 C ATOM 353 CE LYS A 92 35.590 6.751 -32.081 1.00 65.32 C ATOM 354 NZ LYS A 92 36.390 5.533 -32.385 1.00 44.20 N1+ ATOM 0 H LYS A 92 30.273 5.442 -32.971 1.00 31.12 H new ATOM 0 HA LYS A 92 31.712 7.558 -34.028 1.00 63.03 H new ATOM 0 HB2 LYS A 92 32.228 5.010 -33.117 1.00 4.45 H new ATOM 0 HB3 LYS A 92 32.562 4.830 -34.828 1.00 4.45 H new ATOM 0 HG2 LYS A 92 34.639 5.515 -34.171 1.00 1.42 H new ATOM 0 HG3 LYS A 92 33.935 7.099 -34.427 1.00 1.42 H new ATOM 0 HD2 LYS A 92 33.558 7.444 -32.101 1.00 63.25 H new ATOM 0 HD3 LYS A 92 33.729 5.740 -31.727 1.00 63.25 H new ATOM 0 HE2 LYS A 92 35.958 7.585 -32.678 1.00 65.32 H new ATOM 0 HE3 LYS A 92 35.727 7.023 -31.034 1.00 65.32 H new ATOM 0 HZ1 LYS A 92 37.262 5.540 -31.818 1.00 44.20 H new ATOM 0 HZ2 LYS A 92 35.833 4.685 -32.154 1.00 44.20 H new ATOM 0 HZ3 LYS A 92 36.634 5.522 -33.396 1.00 44.20 H new ATOM 368 N GLU A 93 30.401 5.596 -36.333 1.00 42.21 N ATOM 369 CA GLU A 93 30.084 5.507 -37.755 1.00 71.42 C ATOM 370 C GLU A 93 29.293 6.729 -38.214 1.00 60.11 C ATOM 371 O GLU A 93 29.578 7.305 -39.263 1.00 73.42 O ATOM 372 CB GLU A 93 29.289 4.232 -38.043 1.00 74.41 C ATOM 373 CG GLU A 93 29.364 3.783 -39.493 1.00 73.24 C ATOM 374 CD GLU A 93 28.262 2.807 -39.859 1.00 1.03 C ATOM 375 OE1 GLU A 93 27.243 3.249 -40.428 1.00 63.11 O ATOM 376 OE2 GLU A 93 28.420 1.601 -39.574 1.00 60.10 O1- ATOM 0 H GLU A 93 30.013 4.842 -35.766 1.00 42.21 H new ATOM 0 HA GLU A 93 31.022 5.475 -38.310 1.00 71.42 H new ATOM 0 HB2 GLU A 93 29.659 3.431 -37.404 1.00 74.41 H new ATOM 0 HB3 GLU A 93 28.245 4.396 -37.776 1.00 74.41 H new ATOM 0 HG2 GLU A 93 29.302 4.656 -40.143 1.00 73.24 H new ATOM 0 HG3 GLU A 93 30.332 3.317 -39.676 1.00 73.24 H new ATOM 383 N GLN A 94 28.300 7.115 -37.420 1.00 40.54 N ATOM 384 CA GLN A 94 27.467 8.267 -37.746 1.00 30.21 C ATOM 385 C GLN A 94 28.294 9.547 -37.771 1.00 52.42 C ATOM 386 O GLN A 94 28.043 10.444 -38.575 1.00 15.43 O ATOM 387 CB GLN A 94 26.328 8.401 -36.733 1.00 23.31 C ATOM 388 CG GLN A 94 24.949 8.445 -37.371 1.00 1.33 C ATOM 389 CD GLN A 94 23.832 8.290 -36.357 1.00 51.31 C ATOM 390 OE1 GLN A 94 23.033 9.205 -36.152 1.00 50.12 O ATOM 391 NE2 GLN A 94 23.770 7.128 -35.718 1.00 14.24 N ATOM 0 H GLN A 94 28.053 6.648 -36.548 1.00 40.54 H new ATOM 0 HA GLN A 94 27.045 8.110 -38.739 1.00 30.21 H new ATOM 0 HB2 GLN A 94 26.371 7.563 -36.037 1.00 23.31 H new ATOM 0 HB3 GLN A 94 26.478 9.309 -36.148 1.00 23.31 H new ATOM 0 HG2 GLN A 94 24.827 9.391 -37.899 1.00 1.33 H new ATOM 0 HG3 GLN A 94 24.872 7.652 -38.115 1.00 1.33 H new ATOM 0 HE21 GLN A 94 24.453 6.398 -35.920 1.00 14.24 H new ATOM 0 HE22 GLN A 94 23.039 6.965 -35.025 1.00 14.24 H new ATOM 400 N ALA A 95 29.283 9.625 -36.886 1.00 25.00 N ATOM 401 CA ALA A 95 30.149 10.795 -36.809 1.00 45.15 C ATOM 402 C ALA A 95 31.011 10.924 -38.060 1.00 70.10 C ATOM 403 O ALA A 95 30.928 11.917 -38.783 1.00 11.14 O ATOM 404 CB ALA A 95 31.025 10.722 -35.566 1.00 72.43 C ATOM 0 H ALA A 95 29.504 8.892 -36.212 1.00 25.00 H new ATOM 0 HA ALA A 95 29.517 11.681 -36.743 1.00 45.15 H new ATOM 0 HB1 ALA A 95 31.667 11.602 -35.521 1.00 72.43 H new ATOM 0 HB2 ALA A 95 30.394 10.687 -34.678 1.00 72.43 H new ATOM 0 HB3 ALA A 95 31.642 9.825 -35.608 1.00 72.43 H new ATOM 410 N LEU A 96 31.838 9.915 -38.309 1.00 21.34 N ATOM 411 CA LEU A 96 32.717 9.916 -39.473 1.00 71.41 C ATOM 412 C LEU A 96 31.920 10.123 -40.757 1.00 65.14 C ATOM 413 O LEU A 96 32.345 10.851 -41.654 1.00 60.24 O ATOM 414 CB LEU A 96 33.496 8.601 -39.550 1.00 41.41 C ATOM 415 CG LEU A 96 32.670 7.322 -39.408 1.00 21.20 C ATOM 416 CD1 LEU A 96 32.232 6.816 -40.772 1.00 0.51 C ATOM 417 CD2 LEU A 96 33.464 6.255 -38.670 1.00 62.41 C ATOM 0 H LEU A 96 31.918 9.086 -37.721 1.00 21.34 H new ATOM 0 HA LEU A 96 33.420 10.742 -39.366 1.00 71.41 H new ATOM 0 HB2 LEU A 96 34.019 8.567 -40.506 1.00 41.41 H new ATOM 0 HB3 LEU A 96 34.257 8.607 -38.770 1.00 41.41 H new ATOM 0 HG LEU A 96 31.778 7.550 -38.825 1.00 21.20 H new ATOM 0 HD11 LEU A 96 31.645 5.905 -40.651 1.00 0.51 H new ATOM 0 HD12 LEU A 96 31.625 7.576 -41.264 1.00 0.51 H new ATOM 0 HD13 LEU A 96 33.111 6.603 -41.381 1.00 0.51 H new ATOM 0 HD21 LEU A 96 32.861 5.352 -38.578 1.00 62.41 H new ATOM 0 HD22 LEU A 96 34.374 6.029 -39.226 1.00 62.41 H new ATOM 0 HD23 LEU A 96 33.727 6.619 -37.677 1.00 62.41 H new ATOM 429 N THR A 97 30.759 9.481 -40.837 1.00 53.12 N ATOM 430 CA THR A 97 29.901 9.595 -42.009 1.00 4.23 C ATOM 431 C THR A 97 29.464 11.039 -42.233 1.00 42.31 C ATOM 432 O THR A 97 29.544 11.557 -43.347 1.00 43.35 O ATOM 433 CB THR A 97 28.650 8.707 -41.879 1.00 75.23 C ATOM 434 OG1 THR A 97 28.057 8.882 -40.587 1.00 52.14 O ATOM 435 CG2 THR A 97 29.002 7.242 -42.086 1.00 3.45 C ATOM 0 H THR A 97 30.391 8.876 -40.103 1.00 53.12 H new ATOM 0 HA THR A 97 30.488 9.259 -42.863 1.00 4.23 H new ATOM 0 HB THR A 97 27.938 9.006 -42.649 1.00 75.23 H new ATOM 0 HG1 THR A 97 28.445 8.238 -39.959 1.00 52.14 H new ATOM 0 HG21 THR A 97 28.102 6.634 -41.989 1.00 3.45 H new ATOM 0 HG22 THR A 97 29.426 7.107 -43.081 1.00 3.45 H new ATOM 0 HG23 THR A 97 29.730 6.933 -41.336 1.00 3.45 H new ATOM 443 N PHE A 98 29.004 11.684 -41.166 1.00 64.32 N ATOM 444 CA PHE A 98 28.555 13.069 -41.246 1.00 20.12 C ATOM 445 C PHE A 98 29.737 14.014 -41.441 1.00 70.44 C ATOM 446 O PHE A 98 29.603 15.077 -42.047 1.00 24.53 O ATOM 447 CB PHE A 98 27.784 13.452 -39.981 1.00 4.32 C ATOM 448 CG PHE A 98 28.414 14.578 -39.213 1.00 40.02 C ATOM 449 CD1 PHE A 98 28.188 15.895 -39.579 1.00 53.24 C ATOM 450 CD2 PHE A 98 29.233 14.320 -38.125 1.00 24.22 C ATOM 451 CE1 PHE A 98 28.766 16.934 -38.875 1.00 22.31 C ATOM 452 CE2 PHE A 98 29.813 15.355 -37.416 1.00 2.32 C ATOM 453 CZ PHE A 98 29.581 16.664 -37.792 1.00 14.52 C ATOM 0 H PHE A 98 28.932 11.270 -40.237 1.00 64.32 H new ATOM 0 HA PHE A 98 27.894 13.161 -42.108 1.00 20.12 H new ATOM 0 HB2 PHE A 98 26.768 13.734 -40.256 1.00 4.32 H new ATOM 0 HB3 PHE A 98 27.708 12.579 -39.333 1.00 4.32 H new ATOM 0 HD1 PHE A 98 27.552 16.112 -40.425 1.00 53.24 H new ATOM 0 HD2 PHE A 98 29.420 13.299 -37.828 1.00 24.22 H new ATOM 0 HE1 PHE A 98 28.581 17.956 -39.171 1.00 22.31 H new ATOM 0 HE2 PHE A 98 30.447 15.141 -36.569 1.00 2.32 H new ATOM 0 HZ PHE A 98 30.035 17.474 -37.241 1.00 14.52 H new ATOM 463 N PHE A 99 30.894 13.619 -40.921 1.00 61.53 N ATOM 464 CA PHE A 99 32.101 14.430 -41.036 1.00 61.41 C ATOM 465 C PHE A 99 32.669 14.363 -42.451 1.00 60.30 C ATOM 466 O PHE A 99 33.136 15.365 -42.991 1.00 64.11 O ATOM 467 CB PHE A 99 33.153 13.962 -40.029 1.00 43.00 C ATOM 468 CG PHE A 99 34.498 14.599 -40.228 1.00 53.40 C ATOM 469 CD1 PHE A 99 35.623 13.820 -40.447 1.00 21.55 C ATOM 470 CD2 PHE A 99 34.639 15.977 -40.197 1.00 22.21 C ATOM 471 CE1 PHE A 99 36.863 14.404 -40.630 1.00 40.42 C ATOM 472 CE2 PHE A 99 35.875 16.567 -40.379 1.00 44.24 C ATOM 473 CZ PHE A 99 36.989 15.779 -40.598 1.00 54.34 C ATOM 0 H PHE A 99 31.022 12.742 -40.416 1.00 61.53 H new ATOM 0 HA PHE A 99 31.835 15.465 -40.819 1.00 61.41 H new ATOM 0 HB2 PHE A 99 32.802 14.181 -39.021 1.00 43.00 H new ATOM 0 HB3 PHE A 99 33.258 12.880 -40.102 1.00 43.00 H new ATOM 0 HD1 PHE A 99 35.530 12.744 -40.475 1.00 21.55 H new ATOM 0 HD2 PHE A 99 33.772 16.598 -40.028 1.00 22.21 H new ATOM 0 HE1 PHE A 99 37.732 13.785 -40.798 1.00 40.42 H new ATOM 0 HE2 PHE A 99 35.970 17.642 -40.350 1.00 44.24 H new ATOM 0 HZ PHE A 99 37.956 16.237 -40.744 1.00 54.34 H new ATOM 483 N GLN A 100 32.626 13.175 -43.043 1.00 31.14 N ATOM 484 CA GLN A 100 33.138 12.976 -44.395 1.00 2.22 C ATOM 485 C GLN A 100 32.119 13.431 -45.434 1.00 64.05 C ATOM 486 O GLN A 100 32.471 14.089 -46.413 1.00 14.00 O ATOM 487 CB GLN A 100 33.490 11.504 -44.618 1.00 53.03 C ATOM 488 CG GLN A 100 34.722 11.050 -43.851 1.00 64.35 C ATOM 489 CD GLN A 100 34.839 9.541 -43.777 1.00 33.11 C ATOM 490 OE1 GLN A 100 35.848 8.965 -44.188 1.00 24.00 O ATOM 491 NE2 GLN A 100 33.808 8.891 -43.252 1.00 14.41 N ATOM 0 H GLN A 100 32.242 12.335 -42.609 1.00 31.14 H new ATOM 0 HA GLN A 100 34.039 13.578 -44.508 1.00 2.22 H new ATOM 0 HB2 GLN A 100 32.641 10.887 -44.323 1.00 53.03 H new ATOM 0 HB3 GLN A 100 33.652 11.335 -45.683 1.00 53.03 H new ATOM 0 HG2 GLN A 100 35.613 11.457 -44.329 1.00 64.35 H new ATOM 0 HG3 GLN A 100 34.687 11.458 -42.841 1.00 64.35 H new ATOM 0 HE21 GLN A 100 32.992 9.408 -42.924 1.00 14.41 H new ATOM 0 HE22 GLN A 100 33.831 7.874 -43.176 1.00 14.41 H new ATOM 500 N GLU A 101 30.857 13.076 -45.215 1.00 35.51 N ATOM 501 CA GLU A 101 29.789 13.447 -46.135 1.00 4.42 C ATOM 502 C GLU A 101 29.519 14.948 -46.078 1.00 73.11 C ATOM 503 O GLU A 101 29.244 15.580 -47.098 1.00 13.41 O ATOM 504 CB GLU A 101 28.510 12.674 -45.806 1.00 74.32 C ATOM 505 CG GLU A 101 27.408 12.852 -46.837 1.00 62.12 C ATOM 506 CD GLU A 101 27.615 11.990 -48.067 1.00 61.35 C ATOM 507 OE1 GLU A 101 28.225 12.483 -49.040 1.00 22.34 O ATOM 508 OE2 GLU A 101 27.169 10.824 -48.057 1.00 61.22 O1- ATOM 0 H GLU A 101 30.549 12.532 -44.409 1.00 35.51 H new ATOM 0 HA GLU A 101 30.109 13.191 -47.145 1.00 4.42 H new ATOM 0 HB2 GLU A 101 28.748 11.614 -45.721 1.00 74.32 H new ATOM 0 HB3 GLU A 101 28.141 12.997 -44.833 1.00 74.32 H new ATOM 0 HG2 GLU A 101 26.448 12.606 -46.383 1.00 62.12 H new ATOM 0 HG3 GLU A 101 27.361 13.899 -47.136 1.00 62.12 H new ATOM 515 N HIS A 102 29.598 15.511 -44.877 1.00 15.43 N ATOM 516 CA HIS A 102 29.362 16.938 -44.685 1.00 21.40 C ATOM 517 C HIS A 102 30.426 17.547 -43.775 1.00 72.54 C ATOM 518 O HIS A 102 30.172 17.876 -42.617 1.00 40.35 O ATOM 519 CB HIS A 102 27.973 17.172 -44.093 1.00 2.24 C ATOM 520 CG HIS A 102 26.868 16.559 -44.897 1.00 13.40 C ATOM 521 ND1 HIS A 102 26.035 15.576 -44.407 1.00 73.30 N ATOM 522 CD2 HIS A 102 26.460 16.798 -46.166 1.00 34.24 C ATOM 523 CE1 HIS A 102 25.163 15.235 -45.339 1.00 44.23 C ATOM 524 NE2 HIS A 102 25.400 15.961 -46.416 1.00 62.12 N ATOM 0 H HIS A 102 29.823 15.002 -44.022 1.00 15.43 H new ATOM 0 HA HIS A 102 29.420 17.425 -45.659 1.00 21.40 H new ATOM 0 HB2 HIS A 102 27.945 16.765 -43.082 1.00 2.24 H new ATOM 0 HB3 HIS A 102 27.799 18.245 -44.010 1.00 2.24 H new ATOM 0 HD2 HIS A 102 26.888 17.513 -46.853 1.00 34.24 H new ATOM 0 HE1 HIS A 102 24.388 14.489 -45.237 1.00 44.23 H new ATOM 0 HE2 HIS A 102 24.880 15.909 -47.292 1.00 62.12 H new ATOM 533 N PRO A 103 31.646 17.701 -44.311 1.00 40.25 N ATOM 534 CA PRO A 103 32.772 18.271 -43.564 1.00 34.11 C ATOM 535 C PRO A 103 32.594 19.762 -43.296 1.00 22.13 C ATOM 536 O PRO A 103 33.170 20.599 -43.990 1.00 74.22 O ATOM 537 CB PRO A 103 33.967 18.033 -44.489 1.00 54.42 C ATOM 538 CG PRO A 103 33.379 17.953 -45.856 1.00 30.51 C ATOM 539 CD PRO A 103 32.020 17.331 -45.686 1.00 20.03 C ATOM 0 HA PRO A 103 32.880 17.816 -42.579 1.00 34.11 H new ATOM 0 HB2 PRO A 103 34.691 18.844 -44.417 1.00 54.42 H new ATOM 0 HB3 PRO A 103 34.491 17.113 -44.229 1.00 54.42 H new ATOM 0 HG2 PRO A 103 33.302 18.943 -46.306 1.00 30.51 H new ATOM 0 HG3 PRO A 103 34.004 17.351 -46.515 1.00 30.51 H new ATOM 0 HD2 PRO A 103 31.307 17.718 -46.414 1.00 20.03 H new ATOM 0 HD3 PRO A 103 32.054 16.249 -45.816 1.00 20.03 H new ATOM 547 N GLN A 104 31.793 20.085 -42.285 1.00 53.52 N ATOM 548 CA GLN A 104 31.541 21.475 -41.926 1.00 32.12 C ATOM 549 C GLN A 104 32.849 22.240 -41.756 1.00 3.31 C ATOM 550 O GLN A 104 32.938 23.421 -42.091 1.00 4.35 O ATOM 551 CB GLN A 104 30.721 21.550 -40.637 1.00 52.22 C ATOM 552 CG GLN A 104 30.064 22.903 -40.412 1.00 72.42 C ATOM 553 CD GLN A 104 28.658 22.969 -40.974 1.00 53.42 C ATOM 554 OE1 GLN A 104 27.677 22.945 -40.231 1.00 50.22 O ATOM 555 NE2 GLN A 104 28.552 23.053 -42.295 1.00 43.34 N ATOM 0 H GLN A 104 31.308 19.403 -41.701 1.00 53.52 H new ATOM 0 HA GLN A 104 30.975 21.936 -42.736 1.00 32.12 H new ATOM 0 HB2 GLN A 104 29.950 20.780 -40.662 1.00 52.22 H new ATOM 0 HB3 GLN A 104 31.369 21.325 -39.790 1.00 52.22 H new ATOM 0 HG2 GLN A 104 30.034 23.115 -39.343 1.00 72.42 H new ATOM 0 HG3 GLN A 104 30.673 23.680 -40.874 1.00 72.42 H new ATOM 0 HE21 GLN A 104 29.392 23.070 -42.874 1.00 43.34 H new ATOM 0 HE22 GLN A 104 27.631 23.101 -42.731 1.00 43.34 H new ATOM 564 N TYR A 105 33.863 21.559 -41.233 1.00 14.32 N ATOM 565 CA TYR A 105 35.167 22.175 -41.015 1.00 65.43 C ATOM 566 C TYR A 105 35.792 22.607 -42.338 1.00 72.42 C ATOM 567 O TYR A 105 36.466 23.634 -42.411 1.00 15.51 O ATOM 568 CB TYR A 105 36.099 21.203 -40.290 1.00 13.44 C ATOM 569 CG TYR A 105 37.351 21.855 -39.748 1.00 21.04 C ATOM 570 CD1 TYR A 105 38.601 21.285 -39.958 1.00 65.10 C ATOM 571 CD2 TYR A 105 37.283 23.039 -39.025 1.00 30.42 C ATOM 572 CE1 TYR A 105 39.747 21.877 -39.465 1.00 40.14 C ATOM 573 CE2 TYR A 105 38.425 23.638 -38.529 1.00 62.22 C ATOM 574 CZ TYR A 105 39.654 23.054 -38.751 1.00 63.32 C ATOM 575 OH TYR A 105 40.793 23.647 -38.256 1.00 2.35 O ATOM 0 H TYR A 105 33.807 20.580 -40.952 1.00 14.32 H new ATOM 0 HA TYR A 105 35.024 23.060 -40.395 1.00 65.43 H new ATOM 0 HB2 TYR A 105 35.556 20.738 -39.467 1.00 13.44 H new ATOM 0 HB3 TYR A 105 36.383 20.405 -40.976 1.00 13.44 H new ATOM 0 HD1 TYR A 105 38.677 20.364 -40.516 1.00 65.10 H new ATOM 0 HD2 TYR A 105 36.322 23.499 -38.848 1.00 30.42 H new ATOM 0 HE1 TYR A 105 40.711 21.421 -39.637 1.00 40.14 H new ATOM 0 HE2 TYR A 105 38.355 24.559 -37.970 1.00 62.22 H new ATOM 0 HH TYR A 105 40.553 24.469 -37.779 1.00 2.35 H new ATOM 585 N MET A 106 35.564 21.815 -43.380 1.00 2.13 N ATOM 586 CA MET A 106 36.103 22.115 -44.701 1.00 12.33 C ATOM 587 C MET A 106 35.324 23.249 -45.361 1.00 34.43 C ATOM 588 O MET A 106 35.840 23.940 -46.240 1.00 14.31 O ATOM 589 CB MET A 106 36.063 20.870 -45.587 1.00 2.20 C ATOM 590 CG MET A 106 37.027 19.780 -45.147 1.00 33.23 C ATOM 591 SD MET A 106 38.597 19.841 -46.032 1.00 45.54 S ATOM 592 CE MET A 106 39.727 19.296 -44.754 1.00 62.30 C ATOM 0 H MET A 106 35.009 20.960 -43.335 1.00 2.13 H new ATOM 0 HA MET A 106 37.139 22.432 -44.580 1.00 12.33 H new ATOM 0 HB2 MET A 106 35.050 20.468 -45.590 1.00 2.20 H new ATOM 0 HB3 MET A 106 36.295 21.156 -46.613 1.00 2.20 H new ATOM 0 HG2 MET A 106 37.214 19.876 -44.077 1.00 33.23 H new ATOM 0 HG3 MET A 106 36.564 18.806 -45.304 1.00 33.23 H new ATOM 0 HE1 MET A 106 40.743 19.281 -45.149 1.00 62.30 H new ATOM 0 HE2 MET A 106 39.677 19.981 -43.908 1.00 62.30 H new ATOM 0 HE3 MET A 106 39.450 18.294 -44.427 1.00 62.30 H new ATOM 602 N ARG A 107 34.080 23.434 -44.933 1.00 64.32 N ATOM 603 CA ARG A 107 33.229 24.482 -45.483 1.00 35.05 C ATOM 604 C ARG A 107 33.494 25.817 -44.791 1.00 22.20 C ATOM 605 O ARG A 107 33.671 26.843 -45.447 1.00 15.10 O ATOM 606 CB ARG A 107 31.756 24.102 -45.337 1.00 40.51 C ATOM 607 CG ARG A 107 30.805 25.076 -46.014 1.00 44.25 C ATOM 608 CD ARG A 107 29.352 24.725 -45.732 1.00 14.22 C ATOM 609 NE ARG A 107 28.473 25.104 -46.834 1.00 62.33 N ATOM 610 CZ ARG A 107 27.201 24.732 -46.921 1.00 43.41 C ATOM 611 NH1 ARG A 107 26.662 23.976 -45.974 1.00 11.24 N1+ ATOM 612 NH2 ARG A 107 26.465 25.117 -47.955 1.00 71.14 N ATOM 0 H ARG A 107 33.638 22.871 -44.206 1.00 64.32 H new ATOM 0 HA ARG A 107 33.465 24.589 -46.542 1.00 35.05 H new ATOM 0 HB2 ARG A 107 31.603 23.107 -45.756 1.00 40.51 H new ATOM 0 HB3 ARG A 107 31.508 24.043 -44.277 1.00 40.51 H new ATOM 0 HG2 ARG A 107 31.010 26.088 -45.665 1.00 44.25 H new ATOM 0 HG3 ARG A 107 30.980 25.068 -47.090 1.00 44.25 H new ATOM 0 HD2 ARG A 107 29.266 23.653 -45.552 1.00 14.22 H new ATOM 0 HD3 ARG A 107 29.028 25.228 -44.821 1.00 14.22 H new ATOM 0 HE ARG A 107 28.857 25.687 -47.578 1.00 62.33 H new ATOM 0 HH11 ARG A 107 27.225 23.679 -45.177 1.00 11.24 H new ATOM 0 HH12 ARG A 107 25.685 23.692 -46.043 1.00 11.24 H new ATOM 0 HH21 ARG A 107 26.876 25.699 -48.685 1.00 71.14 H new ATOM 0 HH22 ARG A 107 25.488 24.831 -48.021 1.00 71.14 H new ATOM 626 N SER A 108 33.518 25.793 -43.463 1.00 32.45 N ATOM 627 CA SER A 108 33.756 27.001 -42.681 1.00 62.54 C ATOM 628 C SER A 108 34.317 26.656 -41.305 1.00 72.04 C ATOM 629 O SER A 108 33.659 25.999 -40.500 1.00 3.11 O ATOM 630 CB SER A 108 32.460 27.800 -42.530 1.00 72.53 C ATOM 631 OG SER A 108 32.353 28.793 -43.535 1.00 0.01 O ATOM 0 H SER A 108 33.376 24.951 -42.906 1.00 32.45 H new ATOM 0 HA SER A 108 34.489 27.608 -43.211 1.00 62.54 H new ATOM 0 HB2 SER A 108 31.605 27.126 -42.588 1.00 72.53 H new ATOM 0 HB3 SER A 108 32.431 28.269 -41.546 1.00 72.53 H new ATOM 0 HG SER A 108 32.729 28.452 -44.373 1.00 0.01 H new ATOM 637 N LYS A 109 35.541 27.104 -41.044 1.00 71.21 N ATOM 638 CA LYS A 109 36.194 26.845 -39.766 1.00 31.02 C ATOM 639 C LYS A 109 35.325 27.321 -38.605 1.00 3.25 C ATOM 640 O LYS A 109 35.297 26.698 -37.544 1.00 50.22 O ATOM 641 CB LYS A 109 37.556 27.541 -39.715 1.00 21.34 C ATOM 642 CG LYS A 109 37.517 28.988 -40.177 1.00 52.33 C ATOM 643 CD LYS A 109 38.228 29.167 -41.508 1.00 1.02 C ATOM 644 CE LYS A 109 38.882 30.536 -41.610 1.00 51.12 C ATOM 645 NZ LYS A 109 39.198 30.897 -43.020 1.00 73.22 N1+ ATOM 0 H LYS A 109 36.101 27.648 -41.701 1.00 71.21 H new ATOM 0 HA LYS A 109 36.339 25.769 -39.672 1.00 31.02 H new ATOM 0 HB2 LYS A 109 37.935 27.504 -38.694 1.00 21.34 H new ATOM 0 HB3 LYS A 109 38.261 26.989 -40.337 1.00 21.34 H new ATOM 0 HG2 LYS A 109 36.481 29.313 -40.270 1.00 52.33 H new ATOM 0 HG3 LYS A 109 37.985 29.624 -39.425 1.00 52.33 H new ATOM 0 HD2 LYS A 109 38.985 28.391 -41.625 1.00 1.02 H new ATOM 0 HD3 LYS A 109 37.515 29.042 -42.323 1.00 1.02 H new ATOM 0 HE2 LYS A 109 38.219 31.288 -41.183 1.00 51.12 H new ATOM 0 HE3 LYS A 109 39.798 30.546 -41.019 1.00 51.12 H new ATOM 0 HZ1 LYS A 109 39.642 31.837 -43.046 1.00 73.22 H new ATOM 0 HZ2 LYS A 109 39.851 30.194 -43.420 1.00 73.22 H new ATOM 0 HZ3 LYS A 109 38.321 30.913 -43.579 1.00 73.22 H new ATOM 659 N GLU A 110 34.618 28.428 -38.815 1.00 44.12 N ATOM 660 CA GLU A 110 33.749 28.985 -37.786 1.00 65.03 C ATOM 661 C GLU A 110 32.475 28.156 -37.642 1.00 4.22 C ATOM 662 O GLU A 110 31.955 27.984 -36.541 1.00 42.42 O ATOM 663 CB GLU A 110 33.392 30.435 -38.119 1.00 51.22 C ATOM 664 CG GLU A 110 32.596 30.587 -39.403 1.00 52.11 C ATOM 665 CD GLU A 110 32.660 31.993 -39.966 1.00 73.11 C ATOM 666 OE1 GLU A 110 33.357 32.195 -40.982 1.00 50.24 O ATOM 667 OE2 GLU A 110 32.013 32.892 -39.390 1.00 64.00 O1- ATOM 0 H GLU A 110 34.631 28.956 -39.688 1.00 44.12 H new ATOM 0 HA GLU A 110 34.288 28.959 -36.839 1.00 65.03 H new ATOM 0 HB2 GLU A 110 32.818 30.858 -37.294 1.00 51.22 H new ATOM 0 HB3 GLU A 110 34.310 31.017 -38.200 1.00 51.22 H new ATOM 0 HG2 GLU A 110 32.974 29.885 -40.146 1.00 52.11 H new ATOM 0 HG3 GLU A 110 31.556 30.322 -39.215 1.00 52.11 H new ATOM 674 N ASP A 111 31.978 27.647 -38.765 1.00 31.12 N ATOM 675 CA ASP A 111 30.766 26.837 -38.765 1.00 2.31 C ATOM 676 C ASP A 111 30.925 25.619 -37.860 1.00 54.23 C ATOM 677 O ASP A 111 30.141 25.417 -36.933 1.00 72.33 O ATOM 678 CB ASP A 111 30.428 26.389 -40.188 1.00 61.15 C ATOM 679 CG ASP A 111 29.008 25.870 -40.310 1.00 72.04 C ATOM 680 OD1 ASP A 111 28.414 26.018 -41.398 1.00 62.34 O ATOM 681 OD2 ASP A 111 28.491 25.319 -39.316 1.00 75.41 O1- ATOM 0 H ASP A 111 32.396 27.781 -39.686 1.00 31.12 H new ATOM 0 HA ASP A 111 29.950 27.449 -38.380 1.00 2.31 H new ATOM 0 HB2 ASP A 111 30.566 27.227 -40.872 1.00 61.15 H new ATOM 0 HB3 ASP A 111 31.125 25.609 -40.495 1.00 61.15 H new ATOM 686 N GLU A 112 31.944 24.812 -38.136 1.00 32.13 N ATOM 687 CA GLU A 112 32.205 23.613 -37.347 1.00 62.34 C ATOM 688 C GLU A 112 32.271 23.946 -35.859 1.00 34.15 C ATOM 689 O GLU A 112 31.735 23.217 -35.025 1.00 35.11 O ATOM 690 CB GLU A 112 33.513 22.956 -37.793 1.00 32.10 C ATOM 691 CG GLU A 112 33.806 21.645 -37.085 1.00 0.21 C ATOM 692 CD GLU A 112 35.290 21.409 -36.884 1.00 23.14 C ATOM 693 OE1 GLU A 112 35.996 22.368 -36.507 1.00 62.45 O ATOM 694 OE2 GLU A 112 35.746 20.268 -37.104 1.00 14.24 O1- ATOM 0 H GLU A 112 32.602 24.966 -38.900 1.00 32.13 H new ATOM 0 HA GLU A 112 31.383 22.915 -37.510 1.00 62.34 H new ATOM 0 HB2 GLU A 112 33.473 22.778 -38.868 1.00 32.10 H new ATOM 0 HB3 GLU A 112 34.337 23.648 -37.615 1.00 32.10 H new ATOM 0 HG2 GLU A 112 33.307 21.640 -36.116 1.00 0.21 H new ATOM 0 HG3 GLU A 112 33.386 20.822 -37.664 1.00 0.21 H new ATOM 701 N GLU A 113 32.934 25.052 -35.534 1.00 34.35 N ATOM 702 CA GLU A 113 33.071 25.479 -34.147 1.00 1.04 C ATOM 703 C GLU A 113 31.704 25.675 -33.500 1.00 62.52 C ATOM 704 O GLU A 113 31.376 25.021 -32.510 1.00 62.44 O ATOM 705 CB GLU A 113 33.875 26.779 -34.068 1.00 30.23 C ATOM 706 CG GLU A 113 33.893 27.401 -32.682 1.00 33.05 C ATOM 707 CD GLU A 113 34.892 28.536 -32.565 1.00 2.32 C ATOM 708 OE1 GLU A 113 35.386 29.001 -33.613 1.00 5.24 O ATOM 709 OE2 GLU A 113 35.179 28.958 -31.426 1.00 53.21 O1- ATOM 0 H GLU A 113 33.384 25.667 -36.212 1.00 34.35 H new ATOM 0 HA GLU A 113 33.602 24.697 -33.604 1.00 1.04 H new ATOM 0 HB2 GLU A 113 34.900 26.582 -34.382 1.00 30.23 H new ATOM 0 HB3 GLU A 113 33.458 27.497 -34.774 1.00 30.23 H new ATOM 0 HG2 GLU A 113 32.897 27.772 -32.442 1.00 33.05 H new ATOM 0 HG3 GLU A 113 34.133 26.633 -31.946 1.00 33.05 H new ATOM 716 N GLN A 114 30.911 26.580 -34.065 1.00 21.15 N ATOM 717 CA GLN A 114 29.580 26.863 -33.543 1.00 15.15 C ATOM 718 C GLN A 114 28.773 25.578 -33.384 1.00 12.24 C ATOM 719 O GLN A 114 28.052 25.403 -32.401 1.00 54.31 O ATOM 720 CB GLN A 114 28.840 27.831 -34.468 1.00 72.44 C ATOM 721 CG GLN A 114 29.496 29.198 -34.565 1.00 22.33 C ATOM 722 CD GLN A 114 29.093 29.952 -35.818 1.00 62.33 C ATOM 723 OE1 GLN A 114 27.929 30.313 -35.990 1.00 32.25 O ATOM 724 NE2 GLN A 114 30.055 30.191 -36.701 1.00 40.41 N ATOM 0 H GLN A 114 31.168 27.130 -34.885 1.00 21.15 H new ATOM 0 HA GLN A 114 29.694 27.324 -32.562 1.00 15.15 H new ATOM 0 HB2 GLN A 114 28.780 27.394 -35.465 1.00 72.44 H new ATOM 0 HB3 GLN A 114 27.817 27.952 -34.111 1.00 72.44 H new ATOM 0 HG2 GLN A 114 29.228 29.788 -33.689 1.00 22.33 H new ATOM 0 HG3 GLN A 114 30.579 29.079 -34.550 1.00 22.33 H new ATOM 0 HE21 GLN A 114 31.007 29.873 -36.517 1.00 40.41 H new ATOM 0 HE22 GLN A 114 29.843 30.693 -37.563 1.00 40.41 H new ATOM 733 N LEU A 115 28.901 24.681 -34.356 1.00 24.11 N ATOM 734 CA LEU A 115 28.183 23.412 -34.325 1.00 72.35 C ATOM 735 C LEU A 115 28.645 22.554 -33.150 1.00 40.11 C ATOM 736 O LEU A 115 27.839 21.886 -32.503 1.00 41.13 O ATOM 737 CB LEU A 115 28.391 22.652 -35.636 1.00 4.21 C ATOM 738 CG LEU A 115 27.155 21.966 -36.219 1.00 72.30 C ATOM 739 CD1 LEU A 115 27.394 21.575 -37.668 1.00 43.40 C ATOM 740 CD2 LEU A 115 26.783 20.746 -35.390 1.00 4.03 C ATOM 0 H LEU A 115 29.495 24.809 -35.175 1.00 24.11 H new ATOM 0 HA LEU A 115 27.122 23.627 -34.201 1.00 72.35 H new ATOM 0 HB2 LEU A 115 28.779 23.349 -36.379 1.00 4.21 H new ATOM 0 HB3 LEU A 115 29.160 21.896 -35.476 1.00 4.21 H new ATOM 0 HG LEU A 115 26.324 22.670 -36.188 1.00 72.30 H new ATOM 0 HD11 LEU A 115 26.503 21.088 -38.065 1.00 43.40 H new ATOM 0 HD12 LEU A 115 27.612 22.468 -38.255 1.00 43.40 H new ATOM 0 HD13 LEU A 115 28.239 20.888 -37.725 1.00 43.40 H new ATOM 0 HD21 LEU A 115 25.901 20.270 -35.819 1.00 4.03 H new ATOM 0 HD22 LEU A 115 27.613 20.039 -35.390 1.00 4.03 H new ATOM 0 HD23 LEU A 115 26.568 21.053 -34.367 1.00 4.03 H new ATOM 752 N MET A 116 29.946 22.581 -32.879 1.00 70.42 N ATOM 753 CA MET A 116 30.513 21.810 -31.780 1.00 64.52 C ATOM 754 C MET A 116 30.000 22.318 -30.437 1.00 75.03 C ATOM 755 O MET A 116 29.392 21.572 -29.670 1.00 41.14 O ATOM 756 CB MET A 116 32.041 21.879 -31.815 1.00 43.44 C ATOM 757 CG MET A 116 32.713 21.030 -30.749 1.00 45.44 C ATOM 758 SD MET A 116 34.299 21.706 -30.220 1.00 64.42 S ATOM 759 CE MET A 116 33.791 22.708 -28.824 1.00 64.32 C ATOM 0 H MET A 116 30.627 23.129 -33.406 1.00 70.42 H new ATOM 0 HA MET A 116 30.201 20.772 -31.899 1.00 64.52 H new ATOM 0 HB2 MET A 116 32.388 21.557 -32.797 1.00 43.44 H new ATOM 0 HB3 MET A 116 32.352 22.916 -31.691 1.00 43.44 H new ATOM 0 HG2 MET A 116 32.052 20.947 -29.886 1.00 45.44 H new ATOM 0 HG3 MET A 116 32.863 20.021 -31.134 1.00 45.44 H new ATOM 0 HE1 MET A 116 34.664 23.193 -28.388 1.00 64.32 H new ATOM 0 HE2 MET A 116 33.084 23.467 -29.159 1.00 64.32 H new ATOM 0 HE3 MET A 116 33.316 22.074 -28.075 1.00 64.32 H new ATOM 769 N THR A 117 30.251 23.594 -30.158 1.00 23.24 N ATOM 770 CA THR A 117 29.815 24.201 -28.906 1.00 45.12 C ATOM 771 C THR A 117 28.329 23.962 -28.666 1.00 55.01 C ATOM 772 O THR A 117 27.923 23.583 -27.567 1.00 75.24 O ATOM 773 CB THR A 117 30.088 25.718 -28.894 1.00 45.34 C ATOM 774 OG1 THR A 117 29.499 26.311 -27.732 1.00 40.01 O ATOM 775 CG2 THR A 117 29.529 26.378 -30.145 1.00 22.51 C ATOM 0 H THR A 117 30.753 24.226 -30.781 1.00 23.24 H new ATOM 0 HA THR A 117 30.389 23.728 -28.109 1.00 45.12 H new ATOM 0 HB THR A 117 31.167 25.871 -28.873 1.00 45.34 H new ATOM 0 HG1 THR A 117 29.678 27.275 -27.730 1.00 40.01 H new ATOM 0 HG21 THR A 117 29.734 27.448 -30.114 1.00 22.51 H new ATOM 0 HG22 THR A 117 30.000 25.944 -31.027 1.00 22.51 H new ATOM 0 HG23 THR A 117 28.452 26.216 -30.192 1.00 22.51 H new ATOM 783 N GLU A 118 27.525 24.183 -29.700 1.00 13.24 N ATOM 784 CA GLU A 118 26.082 23.990 -29.599 1.00 64.41 C ATOM 785 C GLU A 118 25.741 22.512 -29.430 1.00 71.35 C ATOM 786 O GLU A 118 24.869 22.151 -28.641 1.00 2.31 O ATOM 787 CB GLU A 118 25.383 24.547 -30.841 1.00 42.20 C ATOM 788 CG GLU A 118 23.867 24.478 -30.768 1.00 62.40 C ATOM 789 CD GLU A 118 23.195 25.627 -31.494 1.00 32.23 C ATOM 790 OE1 GLU A 118 22.977 26.682 -30.862 1.00 73.11 O ATOM 791 OE2 GLU A 118 22.888 25.473 -32.694 1.00 51.30 O1- ATOM 0 H GLU A 118 27.846 24.495 -30.616 1.00 13.24 H new ATOM 0 HA GLU A 118 25.730 24.529 -28.720 1.00 64.41 H new ATOM 0 HB2 GLU A 118 25.685 25.585 -30.983 1.00 42.20 H new ATOM 0 HB3 GLU A 118 25.722 23.994 -31.717 1.00 42.20 H new ATOM 0 HG2 GLU A 118 23.529 23.535 -31.197 1.00 62.40 H new ATOM 0 HG3 GLU A 118 23.557 24.482 -29.723 1.00 62.40 H new ATOM 798 N PHE A 119 26.437 21.661 -30.178 1.00 72.35 N ATOM 799 CA PHE A 119 26.207 20.223 -30.113 1.00 31.24 C ATOM 800 C PHE A 119 26.469 19.693 -28.706 1.00 51.21 C ATOM 801 O PHE A 119 25.910 18.674 -28.300 1.00 74.52 O ATOM 802 CB PHE A 119 27.103 19.496 -31.119 1.00 12.54 C ATOM 803 CG PHE A 119 27.326 18.048 -30.786 1.00 75.54 C ATOM 804 CD1 PHE A 119 28.446 17.652 -30.073 1.00 23.24 C ATOM 805 CD2 PHE A 119 26.415 17.084 -31.187 1.00 75.44 C ATOM 806 CE1 PHE A 119 28.654 16.321 -29.766 1.00 34.02 C ATOM 807 CE2 PHE A 119 26.618 15.752 -30.881 1.00 3.12 C ATOM 808 CZ PHE A 119 27.739 15.369 -30.172 1.00 63.33 C ATOM 0 H PHE A 119 27.164 21.943 -30.835 1.00 72.35 H new ATOM 0 HA PHE A 119 25.163 20.036 -30.364 1.00 31.24 H new ATOM 0 HB2 PHE A 119 26.656 19.568 -32.110 1.00 12.54 H new ATOM 0 HB3 PHE A 119 28.067 20.002 -31.167 1.00 12.54 H new ATOM 0 HD1 PHE A 119 29.165 18.392 -29.754 1.00 23.24 H new ATOM 0 HD2 PHE A 119 25.537 17.377 -31.744 1.00 75.44 H new ATOM 0 HE1 PHE A 119 29.531 16.025 -29.209 1.00 34.02 H new ATOM 0 HE2 PHE A 119 25.899 15.010 -31.197 1.00 3.12 H new ATOM 0 HZ PHE A 119 27.900 14.328 -29.935 1.00 63.33 H new ATOM 818 N LYS A 120 27.323 20.392 -27.967 1.00 14.44 N ATOM 819 CA LYS A 120 27.660 19.996 -26.605 1.00 23.11 C ATOM 820 C LYS A 120 26.634 20.533 -25.612 1.00 34.44 C ATOM 821 O LYS A 120 26.253 19.844 -24.665 1.00 62.52 O ATOM 822 CB LYS A 120 29.056 20.502 -26.235 1.00 32.24 C ATOM 823 CG LYS A 120 30.137 19.440 -26.343 1.00 15.35 C ATOM 824 CD LYS A 120 31.510 20.059 -26.538 1.00 0.00 C ATOM 825 CE LYS A 120 31.885 20.963 -25.374 1.00 12.11 C ATOM 826 NZ LYS A 120 31.817 20.246 -24.071 1.00 75.10 N1+ ATOM 0 H LYS A 120 27.795 21.237 -28.289 1.00 14.44 H new ATOM 0 HA LYS A 120 27.650 18.907 -26.558 1.00 23.11 H new ATOM 0 HB2 LYS A 120 29.314 21.338 -26.885 1.00 32.24 H new ATOM 0 HB3 LYS A 120 29.036 20.885 -25.215 1.00 32.24 H new ATOM 0 HG2 LYS A 120 30.138 18.828 -25.441 1.00 15.35 H new ATOM 0 HG3 LYS A 120 29.914 18.777 -27.179 1.00 15.35 H new ATOM 0 HD2 LYS A 120 32.255 19.270 -26.641 1.00 0.00 H new ATOM 0 HD3 LYS A 120 31.523 20.633 -27.465 1.00 0.00 H new ATOM 0 HE2 LYS A 120 32.893 21.349 -25.524 1.00 12.11 H new ATOM 0 HE3 LYS A 120 31.215 21.822 -25.351 1.00 12.11 H new ATOM 0 HZ1 LYS A 120 32.269 20.823 -23.333 1.00 75.10 H new ATOM 0 HZ2 LYS A 120 30.822 20.078 -23.819 1.00 75.10 H new ATOM 0 HZ3 LYS A 120 32.313 19.335 -24.150 1.00 75.10 H new ATOM 840 N LYS A 121 26.190 21.764 -25.835 1.00 31.11 N ATOM 841 CA LYS A 121 25.205 22.393 -24.962 1.00 75.21 C ATOM 842 C LYS A 121 23.829 21.767 -25.155 1.00 2.10 C ATOM 843 O LYS A 121 23.030 21.698 -24.220 1.00 52.44 O ATOM 844 CB LYS A 121 25.136 23.897 -25.237 1.00 1.02 C ATOM 845 CG LYS A 121 23.912 24.314 -26.034 1.00 1.41 C ATOM 846 CD LYS A 121 24.080 25.702 -26.630 1.00 43.52 C ATOM 847 CE LYS A 121 24.769 26.646 -25.657 1.00 20.23 C ATOM 848 NZ LYS A 121 26.245 26.668 -25.856 1.00 31.14 N1+ ATOM 0 H LYS A 121 26.496 22.347 -26.614 1.00 31.11 H new ATOM 0 HA LYS A 121 25.516 22.232 -23.930 1.00 75.21 H new ATOM 0 HB2 LYS A 121 25.140 24.432 -24.287 1.00 1.02 H new ATOM 0 HB3 LYS A 121 26.032 24.200 -25.778 1.00 1.02 H new ATOM 0 HG2 LYS A 121 23.734 23.594 -26.832 1.00 1.41 H new ATOM 0 HG3 LYS A 121 23.034 24.298 -25.389 1.00 1.41 H new ATOM 0 HD2 LYS A 121 24.662 25.637 -27.549 1.00 43.52 H new ATOM 0 HD3 LYS A 121 23.103 26.104 -26.899 1.00 43.52 H new ATOM 0 HE2 LYS A 121 24.370 27.653 -25.784 1.00 20.23 H new ATOM 0 HE3 LYS A 121 24.545 26.341 -24.635 1.00 20.23 H new ATOM 0 HZ1 LYS A 121 26.716 26.298 -25.005 1.00 31.14 H new ATOM 0 HZ2 LYS A 121 26.494 26.076 -26.674 1.00 31.14 H new ATOM 0 HZ3 LYS A 121 26.558 27.645 -26.028 1.00 31.14 H new ATOM 862 N VAL A 122 23.556 21.310 -26.373 1.00 23.10 N ATOM 863 CA VAL A 122 22.276 20.686 -26.687 1.00 13.41 C ATOM 864 C VAL A 122 22.209 19.264 -26.143 1.00 52.23 C ATOM 865 O VAL A 122 21.138 18.660 -26.083 1.00 71.34 O ATOM 866 CB VAL A 122 22.026 20.654 -28.207 1.00 62.53 C ATOM 867 CG1 VAL A 122 22.051 22.062 -28.782 1.00 0.12 C ATOM 868 CG2 VAL A 122 23.052 19.769 -28.897 1.00 1.45 C ATOM 0 H VAL A 122 24.204 21.360 -27.159 1.00 23.10 H new ATOM 0 HA VAL A 122 21.504 21.291 -26.211 1.00 13.41 H new ATOM 0 HB VAL A 122 21.037 20.232 -28.386 1.00 62.53 H new ATOM 0 HG11 VAL A 122 21.873 22.019 -29.856 1.00 0.12 H new ATOM 0 HG12 VAL A 122 21.274 22.662 -28.309 1.00 0.12 H new ATOM 0 HG13 VAL A 122 23.024 22.515 -28.593 1.00 0.12 H new ATOM 0 HG21 VAL A 122 22.860 19.758 -29.970 1.00 1.45 H new ATOM 0 HG22 VAL A 122 24.053 20.159 -28.711 1.00 1.45 H new ATOM 0 HG23 VAL A 122 22.980 18.754 -28.505 1.00 1.45 H new ATOM 878 N LEU A 123 23.361 18.733 -25.746 1.00 4.14 N ATOM 879 CA LEU A 123 23.434 17.381 -25.204 1.00 53.40 C ATOM 880 C LEU A 123 23.162 17.380 -23.703 1.00 25.13 C ATOM 881 O LEU A 123 22.596 16.428 -23.164 1.00 61.25 O ATOM 882 CB LEU A 123 24.808 16.771 -25.487 1.00 74.02 C ATOM 883 CG LEU A 123 24.946 16.009 -26.805 1.00 44.32 C ATOM 884 CD1 LEU A 123 24.006 16.581 -27.854 1.00 42.44 C ATOM 885 CD2 LEU A 123 26.386 16.050 -27.297 1.00 1.21 C ATOM 0 H LEU A 123 24.257 19.219 -25.790 1.00 4.14 H new ATOM 0 HA LEU A 123 22.668 16.778 -25.692 1.00 53.40 H new ATOM 0 HB2 LEU A 123 25.548 17.571 -25.474 1.00 74.02 H new ATOM 0 HB3 LEU A 123 25.057 16.093 -24.671 1.00 74.02 H new ATOM 0 HG LEU A 123 24.672 14.968 -26.631 1.00 44.32 H new ATOM 0 HD11 LEU A 123 24.119 16.026 -28.785 1.00 42.44 H new ATOM 0 HD12 LEU A 123 22.977 16.498 -27.504 1.00 42.44 H new ATOM 0 HD13 LEU A 123 24.247 17.630 -28.026 1.00 42.44 H new ATOM 0 HD21 LEU A 123 26.465 15.503 -28.236 1.00 1.21 H new ATOM 0 HD22 LEU A 123 26.687 17.086 -27.454 1.00 1.21 H new ATOM 0 HD23 LEU A 123 27.038 15.591 -26.553 1.00 1.21 H new ATOM 897 N LEU A 124 23.569 18.452 -23.034 1.00 54.13 N ATOM 898 CA LEU A 124 23.369 18.577 -21.594 1.00 75.34 C ATOM 899 C LEU A 124 22.051 19.279 -21.287 1.00 14.20 C ATOM 900 O LEU A 124 21.410 19.002 -20.272 1.00 71.21 O ATOM 901 CB LEU A 124 24.530 19.348 -20.962 1.00 22.35 C ATOM 902 CG LEU A 124 25.777 18.529 -20.628 1.00 2.11 C ATOM 903 CD1 LEU A 124 25.443 17.432 -19.629 1.00 33.13 C ATOM 904 CD2 LEU A 124 26.379 17.934 -21.893 1.00 45.33 C ATOM 0 H LEU A 124 24.040 19.248 -23.465 1.00 54.13 H new ATOM 0 HA LEU A 124 23.333 17.574 -21.169 1.00 75.34 H new ATOM 0 HB2 LEU A 124 24.818 20.151 -21.640 1.00 22.35 H new ATOM 0 HB3 LEU A 124 24.172 19.817 -20.046 1.00 22.35 H new ATOM 0 HG LEU A 124 26.514 19.193 -20.176 1.00 2.11 H new ATOM 0 HD11 LEU A 124 26.343 16.859 -19.403 1.00 33.13 H new ATOM 0 HD12 LEU A 124 25.058 17.879 -18.713 1.00 33.13 H new ATOM 0 HD13 LEU A 124 24.689 16.770 -20.054 1.00 33.13 H new ATOM 0 HD21 LEU A 124 27.266 17.354 -21.636 1.00 45.33 H new ATOM 0 HD22 LEU A 124 25.647 17.284 -22.373 1.00 45.33 H new ATOM 0 HD23 LEU A 124 26.656 18.737 -22.577 1.00 45.33 H new ATOM 916 N GLU A 125 21.649 20.187 -22.171 1.00 14.41 N ATOM 917 CA GLU A 125 20.405 20.927 -21.994 1.00 41.11 C ATOM 918 C GLU A 125 19.255 19.984 -21.651 1.00 63.43 C ATOM 919 O GLU A 125 18.626 20.091 -20.598 1.00 14.15 O ATOM 920 CB GLU A 125 20.071 21.716 -23.262 1.00 64.13 C ATOM 921 CG GLU A 125 18.580 21.901 -23.489 1.00 62.33 C ATOM 922 CD GLU A 125 18.275 22.954 -24.536 1.00 4.53 C ATOM 923 OE1 GLU A 125 18.936 22.945 -25.595 1.00 43.43 O ATOM 924 OE2 GLU A 125 17.375 23.785 -24.297 1.00 3.44 O1- ATOM 0 H GLU A 125 22.166 20.428 -23.016 1.00 14.41 H new ATOM 0 HA GLU A 125 20.540 21.623 -21.166 1.00 41.11 H new ATOM 0 HB2 GLU A 125 20.546 22.696 -23.206 1.00 64.13 H new ATOM 0 HB3 GLU A 125 20.500 21.203 -24.123 1.00 64.13 H new ATOM 0 HG2 GLU A 125 18.143 20.951 -23.796 1.00 62.33 H new ATOM 0 HG3 GLU A 125 18.105 22.181 -22.549 1.00 62.33 H new ATOM 931 N PRO A 126 18.973 19.040 -22.560 1.00 30.12 N ATOM 932 CA PRO A 126 17.898 18.060 -22.377 1.00 22.40 C ATOM 933 C PRO A 126 18.216 17.049 -21.281 1.00 25.33 C ATOM 934 O PRO A 126 19.381 16.787 -20.984 1.00 41.31 O ATOM 935 CB PRO A 126 17.815 17.367 -23.738 1.00 61.24 C ATOM 936 CG PRO A 126 19.172 17.529 -24.331 1.00 12.33 C ATOM 937 CD PRO A 126 19.682 18.856 -23.838 1.00 0.12 C ATOM 0 HA PRO A 126 16.965 18.531 -22.066 1.00 22.40 H new ATOM 0 HB2 PRO A 126 17.553 16.314 -23.631 1.00 61.24 H new ATOM 0 HB3 PRO A 126 17.051 17.823 -24.368 1.00 61.24 H new ATOM 0 HG2 PRO A 126 19.832 16.718 -24.023 1.00 12.33 H new ATOM 0 HG3 PRO A 126 19.127 17.508 -25.420 1.00 12.33 H new ATOM 0 HD2 PRO A 126 20.763 18.845 -23.700 1.00 0.12 H new ATOM 0 HD3 PRO A 126 19.459 19.659 -24.541 1.00 0.12 H new ATOM 945 N GLY A 127 17.173 16.482 -20.684 1.00 43.42 N ATOM 946 CA GLY A 127 17.363 15.505 -19.628 1.00 51.41 C ATOM 947 C GLY A 127 17.435 14.086 -20.157 1.00 23.25 C ATOM 948 O GLY A 127 17.915 13.184 -19.470 1.00 21.10 O ATOM 0 H GLY A 127 16.199 16.682 -20.913 1.00 43.42 H new ATOM 0 HA2 GLY A 127 18.280 15.734 -19.086 1.00 51.41 H new ATOM 0 HA3 GLY A 127 16.543 15.582 -18.914 1.00 51.41 H new ATOM 952 N SER A 128 16.957 13.887 -21.381 1.00 64.24 N ATOM 953 CA SER A 128 16.964 12.567 -21.999 1.00 14.15 C ATOM 954 C SER A 128 18.320 12.271 -22.633 1.00 43.42 C ATOM 955 O SER A 128 18.402 11.873 -23.795 1.00 75.43 O ATOM 956 CB SER A 128 15.862 12.470 -23.057 1.00 12.14 C ATOM 957 OG SER A 128 14.578 12.568 -22.466 1.00 41.51 O ATOM 0 H SER A 128 16.560 14.624 -21.964 1.00 64.24 H new ATOM 0 HA SER A 128 16.777 11.828 -21.220 1.00 14.15 H new ATOM 0 HB2 SER A 128 15.989 13.264 -23.793 1.00 12.14 H new ATOM 0 HB3 SER A 128 15.949 11.524 -23.591 1.00 12.14 H new ATOM 0 HG SER A 128 13.892 12.505 -23.163 1.00 41.51 H new ATOM 963 N LYS A 129 19.382 12.469 -21.860 1.00 13.44 N ATOM 964 CA LYS A 129 20.737 12.224 -22.342 1.00 70.44 C ATOM 965 C LYS A 129 20.884 10.791 -22.845 1.00 11.20 C ATOM 966 O LYS A 129 21.824 10.470 -23.570 1.00 23.24 O ATOM 967 CB LYS A 129 21.752 12.491 -21.230 1.00 55.21 C ATOM 968 CG LYS A 129 21.652 13.887 -20.638 1.00 13.43 C ATOM 969 CD LYS A 129 22.086 13.908 -19.182 1.00 2.32 C ATOM 970 CE LYS A 129 20.918 13.628 -18.249 1.00 34.02 C ATOM 971 NZ LYS A 129 21.152 14.182 -16.886 1.00 60.14 N1+ ATOM 0 H LYS A 129 19.331 12.799 -20.896 1.00 13.44 H new ATOM 0 HA LYS A 129 20.929 12.904 -23.172 1.00 70.44 H new ATOM 0 HB2 LYS A 129 21.610 11.758 -20.436 1.00 55.21 H new ATOM 0 HB3 LYS A 129 22.758 12.344 -21.624 1.00 55.21 H new ATOM 0 HG2 LYS A 129 22.274 14.573 -21.214 1.00 13.43 H new ATOM 0 HG3 LYS A 129 20.625 14.244 -20.718 1.00 13.43 H new ATOM 0 HD2 LYS A 129 22.867 13.164 -19.023 1.00 2.32 H new ATOM 0 HD3 LYS A 129 22.519 14.880 -18.944 1.00 2.32 H new ATOM 0 HE2 LYS A 129 20.008 14.061 -18.666 1.00 34.02 H new ATOM 0 HE3 LYS A 129 20.757 12.552 -18.181 1.00 34.02 H new ATOM 0 HZ1 LYS A 129 20.334 13.970 -16.280 1.00 60.14 H new ATOM 0 HZ2 LYS A 129 22.006 13.751 -16.478 1.00 60.14 H new ATOM 0 HZ3 LYS A 129 21.280 15.212 -16.947 1.00 60.14 H new ATOM 985 N ASN A 130 19.945 9.933 -22.456 1.00 50.25 N ATOM 986 CA ASN A 130 19.971 8.534 -22.868 1.00 20.54 C ATOM 987 C ASN A 130 19.282 8.352 -24.217 1.00 24.34 C ATOM 988 O ASN A 130 18.808 7.263 -24.543 1.00 52.01 O ATOM 989 CB ASN A 130 19.291 7.657 -21.813 1.00 13.43 C ATOM 990 CG ASN A 130 19.633 8.085 -20.400 1.00 62.11 C ATOM 991 OD1 ASN A 130 18.933 8.902 -19.800 1.00 43.45 O ATOM 992 ND2 ASN A 130 20.713 7.534 -19.859 1.00 30.42 N ATOM 0 H ASN A 130 19.158 10.182 -21.857 1.00 50.25 H new ATOM 0 HA ASN A 130 21.013 8.229 -22.968 1.00 20.54 H new ATOM 0 HB2 ASN A 130 18.211 7.699 -21.951 1.00 13.43 H new ATOM 0 HB3 ASN A 130 19.591 6.619 -21.958 1.00 13.43 H new ATOM 0 HD21 ASN A 130 20.992 7.783 -18.910 1.00 30.42 H new ATOM 0 HD22 ASN A 130 21.264 6.861 -20.392 1.00 30.42 H new ATOM 999 N LEU A 131 19.231 9.425 -24.999 1.00 22.31 N ATOM 1000 CA LEU A 131 18.601 9.384 -26.313 1.00 15.12 C ATOM 1001 C LEU A 131 19.593 8.928 -27.378 1.00 65.34 C ATOM 1002 O LEU A 131 20.804 8.937 -27.158 1.00 42.41 O ATOM 1003 CB LEU A 131 18.044 10.762 -26.677 1.00 11.43 C ATOM 1004 CG LEU A 131 19.049 11.915 -26.672 1.00 44.53 C ATOM 1005 CD1 LEU A 131 19.737 12.028 -28.023 1.00 2.43 C ATOM 1006 CD2 LEU A 131 18.358 13.223 -26.312 1.00 50.13 C ATOM 0 H LEU A 131 19.619 10.334 -24.745 1.00 22.31 H new ATOM 0 HA LEU A 131 17.782 8.666 -26.273 1.00 15.12 H new ATOM 0 HB2 LEU A 131 17.597 10.701 -27.669 1.00 11.43 H new ATOM 0 HB3 LEU A 131 17.241 11.003 -25.980 1.00 11.43 H new ATOM 0 HG LEU A 131 19.807 11.708 -25.917 1.00 44.53 H new ATOM 0 HD11 LEU A 131 20.448 12.853 -28.001 1.00 2.43 H new ATOM 0 HD12 LEU A 131 20.265 11.100 -28.241 1.00 2.43 H new ATOM 0 HD13 LEU A 131 18.992 12.212 -28.797 1.00 2.43 H new ATOM 0 HD21 LEU A 131 19.088 14.032 -26.313 1.00 50.13 H new ATOM 0 HD22 LEU A 131 17.579 13.436 -27.044 1.00 50.13 H new ATOM 0 HD23 LEU A 131 17.912 13.138 -25.321 1.00 50.13 H new ATOM 1018 N SER A 132 19.070 8.530 -28.535 1.00 12.44 N ATOM 1019 CA SER A 132 19.909 8.069 -29.634 1.00 34.35 C ATOM 1020 C SER A 132 20.833 9.182 -30.118 1.00 0.35 C ATOM 1021 O SER A 132 20.434 10.345 -30.194 1.00 24.34 O ATOM 1022 CB SER A 132 19.042 7.571 -30.791 1.00 71.11 C ATOM 1023 OG SER A 132 18.573 6.256 -30.548 1.00 74.41 O ATOM 0 H SER A 132 18.070 8.518 -28.734 1.00 12.44 H new ATOM 0 HA SER A 132 20.523 7.246 -29.268 1.00 34.35 H new ATOM 0 HB2 SER A 132 18.195 8.243 -30.930 1.00 71.11 H new ATOM 0 HB3 SER A 132 19.619 7.590 -31.716 1.00 71.11 H new ATOM 0 HG SER A 132 18.020 5.962 -31.301 1.00 74.41 H new ATOM 1029 N ILE A 133 22.069 8.819 -30.442 1.00 2.43 N ATOM 1030 CA ILE A 133 23.049 9.786 -30.919 1.00 72.04 C ATOM 1031 C ILE A 133 22.565 10.480 -32.188 1.00 24.01 C ATOM 1032 O ILE A 133 23.043 11.559 -32.540 1.00 53.43 O ATOM 1033 CB ILE A 133 24.409 9.119 -31.200 1.00 63.11 C ATOM 1034 CG1 ILE A 133 25.406 10.148 -31.735 1.00 14.41 C ATOM 1035 CG2 ILE A 133 24.243 7.973 -32.187 1.00 55.22 C ATOM 1036 CD1 ILE A 133 26.796 10.001 -31.154 1.00 63.31 C ATOM 0 H ILE A 133 22.416 7.862 -30.383 1.00 2.43 H new ATOM 0 HA ILE A 133 23.172 10.525 -30.127 1.00 72.04 H new ATOM 0 HB ILE A 133 24.798 8.715 -30.265 1.00 63.11 H new ATOM 0 HG12 ILE A 133 25.463 10.057 -32.820 1.00 14.41 H new ATOM 0 HG13 ILE A 133 25.034 11.149 -31.518 1.00 14.41 H new ATOM 0 HG21 ILE A 133 25.212 7.512 -32.375 1.00 55.22 H new ATOM 0 HG22 ILE A 133 23.563 7.230 -31.771 1.00 55.22 H new ATOM 0 HG23 ILE A 133 23.835 8.355 -33.123 1.00 55.22 H new ATOM 0 HD11 ILE A 133 27.450 10.763 -31.578 1.00 63.31 H new ATOM 0 HD12 ILE A 133 26.753 10.121 -30.072 1.00 63.31 H new ATOM 0 HD13 ILE A 133 27.188 9.012 -31.394 1.00 63.31 H new ATOM 1048 N TYR A 134 21.612 9.855 -32.870 1.00 51.34 N ATOM 1049 CA TYR A 134 21.062 10.411 -34.100 1.00 14.53 C ATOM 1050 C TYR A 134 20.298 11.701 -33.820 1.00 72.13 C ATOM 1051 O TYR A 134 20.339 12.643 -34.612 1.00 64.14 O ATOM 1052 CB TYR A 134 20.140 9.395 -34.777 1.00 10.23 C ATOM 1053 CG TYR A 134 19.620 9.851 -36.121 1.00 4.11 C ATOM 1054 CD1 TYR A 134 20.215 9.421 -37.301 1.00 75.12 C ATOM 1055 CD2 TYR A 134 18.532 10.710 -36.213 1.00 14.43 C ATOM 1056 CE1 TYR A 134 19.743 9.836 -38.531 1.00 43.31 C ATOM 1057 CE2 TYR A 134 18.053 11.129 -37.439 1.00 22.22 C ATOM 1058 CZ TYR A 134 18.663 10.689 -38.595 1.00 2.11 C ATOM 1059 OH TYR A 134 18.189 11.103 -39.819 1.00 3.43 O ATOM 0 H TYR A 134 21.204 8.963 -32.592 1.00 51.34 H new ATOM 0 HA TYR A 134 21.892 10.639 -34.769 1.00 14.53 H new ATOM 0 HB2 TYR A 134 20.679 8.456 -34.905 1.00 10.23 H new ATOM 0 HB3 TYR A 134 19.295 9.190 -34.120 1.00 10.23 H new ATOM 0 HD1 TYR A 134 21.061 8.751 -37.256 1.00 75.12 H new ATOM 0 HD2 TYR A 134 18.052 11.056 -35.310 1.00 14.43 H new ATOM 0 HE1 TYR A 134 20.218 9.493 -39.438 1.00 43.31 H new ATOM 0 HE2 TYR A 134 17.206 11.797 -37.492 1.00 22.22 H new ATOM 0 HH TYR A 134 17.423 11.700 -39.688 1.00 3.43 H new ATOM 1069 N GLN A 135 19.601 11.736 -32.689 1.00 15.24 N ATOM 1070 CA GLN A 135 18.828 12.910 -32.304 1.00 3.44 C ATOM 1071 C GLN A 135 19.744 14.043 -31.855 1.00 63.55 C ATOM 1072 O GLN A 135 19.541 15.202 -32.218 1.00 15.31 O ATOM 1073 CB GLN A 135 17.848 12.556 -31.185 1.00 23.05 C ATOM 1074 CG GLN A 135 17.202 11.189 -31.350 1.00 5.20 C ATOM 1075 CD GLN A 135 16.767 10.918 -32.775 1.00 34.34 C ATOM 1076 OE1 GLN A 135 16.174 11.777 -33.430 1.00 23.14 O ATOM 1077 NE2 GLN A 135 17.060 9.720 -33.266 1.00 23.23 N ATOM 0 H GLN A 135 19.556 10.964 -32.023 1.00 15.24 H new ATOM 0 HA GLN A 135 18.267 13.246 -33.176 1.00 3.44 H new ATOM 0 HB2 GLN A 135 18.373 12.587 -30.230 1.00 23.05 H new ATOM 0 HB3 GLN A 135 17.067 13.315 -31.144 1.00 23.05 H new ATOM 0 HG2 GLN A 135 17.906 10.418 -31.036 1.00 5.20 H new ATOM 0 HG3 GLN A 135 16.337 11.118 -30.690 1.00 5.20 H new ATOM 0 HE21 GLN A 135 17.552 9.039 -32.688 1.00 23.23 H new ATOM 0 HE22 GLN A 135 16.793 9.481 -34.221 1.00 23.23 H new ATOM 1086 N THR A 136 20.755 13.701 -31.061 1.00 4.35 N ATOM 1087 CA THR A 136 21.702 14.689 -30.561 1.00 41.33 C ATOM 1088 C THR A 136 22.305 15.500 -31.702 1.00 13.53 C ATOM 1089 O THR A 136 22.231 16.729 -31.711 1.00 52.25 O ATOM 1090 CB THR A 136 22.839 14.024 -29.762 1.00 42.43 C ATOM 1091 OG1 THR A 136 23.218 12.791 -30.386 1.00 21.30 O ATOM 1092 CG2 THR A 136 22.409 13.760 -28.327 1.00 12.34 C ATOM 0 H THR A 136 20.938 12.747 -30.751 1.00 4.35 H new ATOM 0 HA THR A 136 21.145 15.354 -29.901 1.00 41.33 H new ATOM 0 HB THR A 136 23.692 14.703 -29.750 1.00 42.43 H new ATOM 0 HG1 THR A 136 22.809 12.735 -31.275 1.00 21.30 H new ATOM 0 HG21 THR A 136 23.228 13.290 -27.782 1.00 12.34 H new ATOM 0 HG22 THR A 136 22.147 14.703 -27.846 1.00 12.34 H new ATOM 0 HG23 THR A 136 21.543 13.098 -28.323 1.00 12.34 H new ATOM 1100 N LEU A 137 22.901 14.805 -32.664 1.00 40.20 N ATOM 1101 CA LEU A 137 23.517 15.461 -33.813 1.00 24.30 C ATOM 1102 C LEU A 137 22.463 16.143 -34.680 1.00 25.13 C ATOM 1103 O LEU A 137 22.619 17.302 -35.068 1.00 73.04 O ATOM 1104 CB LEU A 137 24.301 14.446 -34.645 1.00 71.51 C ATOM 1105 CG LEU A 137 25.575 14.965 -35.312 1.00 14.44 C ATOM 1106 CD1 LEU A 137 26.602 15.362 -34.263 1.00 42.21 C ATOM 1107 CD2 LEU A 137 26.149 13.917 -36.254 1.00 41.53 C ATOM 0 H LEU A 137 22.971 13.787 -32.672 1.00 40.20 H new ATOM 0 HA LEU A 137 24.203 16.222 -33.441 1.00 24.30 H new ATOM 0 HB2 LEU A 137 24.568 13.608 -34.002 1.00 71.51 H new ATOM 0 HB3 LEU A 137 23.642 14.056 -35.421 1.00 71.51 H new ATOM 0 HG LEU A 137 25.322 15.850 -35.897 1.00 14.44 H new ATOM 0 HD11 LEU A 137 27.502 15.729 -34.756 1.00 42.21 H new ATOM 0 HD12 LEU A 137 26.190 16.147 -33.629 1.00 42.21 H new ATOM 0 HD13 LEU A 137 26.851 14.495 -33.651 1.00 42.21 H new ATOM 0 HD21 LEU A 137 27.055 14.304 -36.720 1.00 41.53 H new ATOM 0 HD22 LEU A 137 26.387 13.014 -35.692 1.00 41.53 H new ATOM 0 HD23 LEU A 137 25.416 13.681 -37.026 1.00 41.53 H new ATOM 1119 N LEU A 138 21.391 15.418 -34.979 1.00 10.14 N ATOM 1120 CA LEU A 138 20.310 15.954 -35.798 1.00 31.24 C ATOM 1121 C LEU A 138 19.825 17.293 -35.253 1.00 11.02 C ATOM 1122 O LEU A 138 19.752 18.281 -35.983 1.00 71.33 O ATOM 1123 CB LEU A 138 19.146 14.961 -35.854 1.00 41.12 C ATOM 1124 CG LEU A 138 17.842 15.489 -36.452 1.00 45.03 C ATOM 1125 CD1 LEU A 138 17.101 14.378 -37.180 1.00 14.12 C ATOM 1126 CD2 LEU A 138 16.965 16.096 -35.368 1.00 22.45 C ATOM 0 H LEU A 138 21.247 14.458 -34.667 1.00 10.14 H new ATOM 0 HA LEU A 138 20.695 16.112 -36.806 1.00 31.24 H new ATOM 0 HB2 LEU A 138 19.463 14.093 -36.433 1.00 41.12 H new ATOM 0 HB3 LEU A 138 18.943 14.612 -34.841 1.00 41.12 H new ATOM 0 HG LEU A 138 18.085 16.269 -37.173 1.00 45.03 H new ATOM 0 HD11 LEU A 138 16.175 14.772 -37.599 1.00 14.12 H new ATOM 0 HD12 LEU A 138 17.727 13.989 -37.983 1.00 14.12 H new ATOM 0 HD13 LEU A 138 16.869 13.575 -36.480 1.00 14.12 H new ATOM 0 HD21 LEU A 138 16.041 16.467 -35.812 1.00 22.45 H new ATOM 0 HD22 LEU A 138 16.730 15.336 -34.622 1.00 22.45 H new ATOM 0 HD23 LEU A 138 17.494 16.921 -34.891 1.00 22.45 H new ATOM 1138 N ALA A 139 19.497 17.318 -33.966 1.00 11.23 N ATOM 1139 CA ALA A 139 19.024 18.537 -33.322 1.00 25.20 C ATOM 1140 C ALA A 139 20.086 19.630 -33.369 1.00 1.41 C ATOM 1141 O ALA A 139 19.816 20.752 -33.796 1.00 21.21 O ATOM 1142 CB ALA A 139 18.620 18.251 -31.883 1.00 44.04 C ATOM 0 H ALA A 139 19.550 16.508 -33.348 1.00 11.23 H new ATOM 0 HA ALA A 139 18.151 18.892 -33.869 1.00 25.20 H new ATOM 0 HB1 ALA A 139 18.269 19.170 -31.414 1.00 44.04 H new ATOM 0 HB2 ALA A 139 17.822 17.509 -31.870 1.00 44.04 H new ATOM 0 HB3 ALA A 139 19.480 17.869 -31.333 1.00 44.04 H new ATOM 1148 N ALA A 140 21.292 19.296 -32.925 1.00 70.34 N ATOM 1149 CA ALA A 140 22.395 20.249 -32.918 1.00 73.32 C ATOM 1150 C ALA A 140 22.600 20.862 -34.299 1.00 31.53 C ATOM 1151 O ALA A 140 22.864 22.058 -34.425 1.00 61.43 O ATOM 1152 CB ALA A 140 23.674 19.574 -32.443 1.00 20.30 C ATOM 0 H ALA A 140 21.531 18.372 -32.565 1.00 70.34 H new ATOM 0 HA ALA A 140 22.143 21.053 -32.226 1.00 73.32 H new ATOM 0 HB1 ALA A 140 24.489 20.298 -32.443 1.00 20.30 H new ATOM 0 HB2 ALA A 140 23.529 19.190 -31.433 1.00 20.30 H new ATOM 0 HB3 ALA A 140 23.921 18.750 -33.112 1.00 20.30 H new ATOM 1158 N HIS A 141 22.476 20.036 -35.333 1.00 1.44 N ATOM 1159 CA HIS A 141 22.648 20.498 -36.705 1.00 35.23 C ATOM 1160 C HIS A 141 21.557 21.494 -37.084 1.00 23.11 C ATOM 1161 O HIS A 141 21.844 22.638 -37.437 1.00 71.12 O ATOM 1162 CB HIS A 141 22.628 19.312 -37.671 1.00 54.14 C ATOM 1163 CG HIS A 141 23.991 18.793 -38.010 1.00 62.40 C ATOM 1164 ND1 HIS A 141 24.932 18.465 -37.055 1.00 11.41 N ATOM 1165 CD2 HIS A 141 24.572 18.545 -39.208 1.00 55.51 C ATOM 1166 CE1 HIS A 141 26.031 18.039 -37.650 1.00 43.34 C ATOM 1167 NE2 HIS A 141 25.839 18.077 -38.957 1.00 1.53 N ATOM 0 H HIS A 141 22.257 19.044 -35.246 1.00 1.44 H new ATOM 0 HA HIS A 141 23.614 20.999 -36.775 1.00 35.23 H new ATOM 0 HB2 HIS A 141 22.040 18.506 -37.232 1.00 54.14 H new ATOM 0 HB3 HIS A 141 22.123 19.611 -38.590 1.00 54.14 H new ATOM 0 HD2 HIS A 141 24.123 18.688 -40.180 1.00 55.51 H new ATOM 0 HE1 HIS A 141 26.933 17.715 -37.153 1.00 43.34 H new ATOM 0 HE2 HIS A 141 26.521 17.803 -39.665 1.00 1.53 H new ATOM 1176 N GLU A 142 20.306 21.053 -37.008 1.00 21.22 N ATOM 1177 CA GLU A 142 19.172 21.907 -37.345 1.00 60.01 C ATOM 1178 C GLU A 142 19.191 23.187 -36.515 1.00 12.12 C ATOM 1179 O GLU A 142 18.818 24.256 -36.995 1.00 65.25 O ATOM 1180 CB GLU A 142 17.857 21.159 -37.121 1.00 0.33 C ATOM 1181 CG GLU A 142 17.728 19.893 -37.951 1.00 13.53 C ATOM 1182 CD GLU A 142 16.315 19.664 -38.451 1.00 12.43 C ATOM 1183 OE1 GLU A 142 15.620 18.792 -37.888 1.00 13.54 O ATOM 1184 OE2 GLU A 142 15.903 20.357 -39.405 1.00 0.23 O1- ATOM 0 H GLU A 142 20.051 20.109 -36.716 1.00 21.22 H new ATOM 0 HA GLU A 142 19.252 22.176 -38.398 1.00 60.01 H new ATOM 0 HB2 GLU A 142 17.770 20.902 -36.065 1.00 0.33 H new ATOM 0 HB3 GLU A 142 17.026 21.824 -37.356 1.00 0.33 H new ATOM 0 HG2 GLU A 142 18.406 19.951 -38.803 1.00 13.53 H new ATOM 0 HG3 GLU A 142 18.041 19.037 -37.353 1.00 13.53 H new ATOM 1191 N ARG A 143 19.626 23.068 -35.264 1.00 11.21 N ATOM 1192 CA ARG A 143 19.691 24.213 -34.365 1.00 60.32 C ATOM 1193 C ARG A 143 20.772 25.194 -34.812 1.00 61.53 C ATOM 1194 O ARG A 143 20.641 26.406 -34.629 1.00 4.22 O ATOM 1195 CB ARG A 143 19.967 23.751 -32.933 1.00 31.13 C ATOM 1196 CG ARG A 143 18.735 23.221 -32.218 1.00 61.33 C ATOM 1197 CD ARG A 143 18.895 23.295 -30.707 1.00 34.34 C ATOM 1198 NE ARG A 143 18.254 22.170 -30.033 1.00 43.43 N ATOM 1199 CZ ARG A 143 16.937 22.034 -29.920 1.00 42.24 C ATOM 1200 NH1 ARG A 143 16.126 22.949 -30.433 1.00 31.10 N1+ ATOM 1201 NH2 ARG A 143 16.430 20.981 -29.291 1.00 72.21 N ATOM 0 H ARG A 143 19.939 22.189 -34.851 1.00 11.21 H new ATOM 0 HA ARG A 143 18.727 24.721 -34.395 1.00 60.32 H new ATOM 0 HB2 ARG A 143 20.729 22.972 -32.952 1.00 31.13 H new ATOM 0 HB3 ARG A 143 20.377 24.585 -32.363 1.00 31.13 H new ATOM 0 HG2 ARG A 143 17.861 23.797 -32.521 1.00 61.33 H new ATOM 0 HG3 ARG A 143 18.556 22.188 -32.516 1.00 61.33 H new ATOM 0 HD2 ARG A 143 19.955 23.312 -30.455 1.00 34.34 H new ATOM 0 HD3 ARG A 143 18.466 24.228 -30.342 1.00 34.34 H new ATOM 0 HE ARG A 143 18.850 21.449 -29.626 1.00 43.43 H new ATOM 0 HH11 ARG A 143 16.513 23.760 -30.916 1.00 31.10 H new ATOM 0 HH12 ARG A 143 15.115 22.842 -30.345 1.00 31.10 H new ATOM 0 HH21 ARG A 143 17.051 20.276 -28.894 1.00 72.21 H new ATOM 0 HH22 ARG A 143 15.419 20.877 -29.204 1.00 72.21 H new ATOM 1215 N LEU A 144 21.840 24.663 -35.396 1.00 51.52 N ATOM 1216 CA LEU A 144 22.944 25.491 -35.869 1.00 34.24 C ATOM 1217 C LEU A 144 22.477 26.457 -36.952 1.00 61.12 C ATOM 1218 O LEU A 144 22.946 27.592 -37.029 1.00 51.43 O ATOM 1219 CB LEU A 144 24.073 24.610 -36.407 1.00 61.43 C ATOM 1220 CG LEU A 144 25.312 25.346 -36.920 1.00 62.04 C ATOM 1221 CD1 LEU A 144 26.247 25.683 -35.769 1.00 42.11 C ATOM 1222 CD2 LEU A 144 26.033 24.510 -37.968 1.00 54.33 C ATOM 0 H LEU A 144 21.965 23.663 -35.553 1.00 51.52 H new ATOM 0 HA LEU A 144 23.315 26.074 -35.026 1.00 34.24 H new ATOM 0 HB2 LEU A 144 24.382 23.927 -35.616 1.00 61.43 H new ATOM 0 HB3 LEU A 144 23.676 24.000 -37.218 1.00 61.43 H new ATOM 0 HG LEU A 144 24.991 26.278 -37.385 1.00 62.04 H new ATOM 0 HD11 LEU A 144 27.123 26.206 -36.153 1.00 42.11 H new ATOM 0 HD12 LEU A 144 25.728 26.321 -35.053 1.00 42.11 H new ATOM 0 HD13 LEU A 144 26.561 24.764 -35.275 1.00 42.11 H new ATOM 0 HD21 LEU A 144 26.912 25.049 -38.322 1.00 54.33 H new ATOM 0 HD22 LEU A 144 26.342 23.562 -37.528 1.00 54.33 H new ATOM 0 HD23 LEU A 144 25.362 24.320 -38.806 1.00 54.33 H new ATOM 1234 N GLN A 145 21.548 25.999 -37.786 1.00 51.00 N ATOM 1235 CA GLN A 145 21.015 26.824 -38.863 1.00 12.25 C ATOM 1236 C GLN A 145 19.634 27.361 -38.506 1.00 12.51 C ATOM 1237 O GLN A 145 18.782 27.538 -39.377 1.00 14.40 O ATOM 1238 CB GLN A 145 20.943 26.018 -40.162 1.00 54.30 C ATOM 1239 CG GLN A 145 22.237 25.299 -40.506 1.00 44.02 C ATOM 1240 CD GLN A 145 22.266 23.872 -39.993 1.00 45.43 C ATOM 1241 OE1 GLN A 145 21.230 23.212 -39.903 1.00 3.44 O ATOM 1242 NE2 GLN A 145 23.455 23.388 -39.657 1.00 40.43 N ATOM 0 H GLN A 145 21.149 25.061 -37.736 1.00 51.00 H new ATOM 0 HA GLN A 145 21.687 27.671 -39.005 1.00 12.25 H new ATOM 0 HB2 GLN A 145 20.141 25.285 -40.080 1.00 54.30 H new ATOM 0 HB3 GLN A 145 20.681 26.688 -40.981 1.00 54.30 H new ATOM 0 HG2 GLN A 145 22.369 25.295 -41.588 1.00 44.02 H new ATOM 0 HG3 GLN A 145 23.078 25.850 -40.084 1.00 44.02 H new ATOM 0 HE21 GLN A 145 24.287 23.971 -39.748 1.00 40.43 H new ATOM 0 HE22 GLN A 145 23.537 22.433 -39.308 1.00 40.43 H new ATOM 1251 N ALA A 146 19.418 27.618 -37.220 1.00 25.41 N ATOM 1252 CA ALA A 146 18.141 28.137 -36.749 1.00 61.13 C ATOM 1253 C ALA A 146 18.294 29.547 -36.186 1.00 43.10 C ATOM 1254 O ALA A 146 17.728 30.503 -36.715 1.00 53.12 O ATOM 1255 CB ALA A 146 17.550 27.209 -35.698 1.00 73.03 C ATOM 0 H ALA A 146 20.112 27.475 -36.486 1.00 25.41 H new ATOM 0 HA ALA A 146 17.461 28.186 -37.600 1.00 61.13 H new ATOM 0 HB1 ALA A 146 16.596 27.609 -35.355 1.00 73.03 H new ATOM 0 HB2 ALA A 146 17.395 26.221 -36.131 1.00 73.03 H new ATOM 0 HB3 ALA A 146 18.236 27.131 -34.854 1.00 73.03 H new ATOM 1261 N LEU A 147 19.064 29.668 -35.109 1.00 64.13 N ATOM 1262 CA LEU A 147 19.292 30.961 -34.474 1.00 53.53 C ATOM 1263 C LEU A 147 17.970 31.657 -34.166 1.00 25.45 C ATOM 1264 O LEU A 147 17.979 32.720 -33.547 1.00 52.04 O ATOM 1265 CB LEU A 147 20.152 31.850 -35.375 1.00 12.24 C ATOM 1266 CG LEU A 147 21.577 32.118 -34.888 1.00 10.30 C ATOM 1267 CD1 LEU A 147 22.512 31.006 -35.337 1.00 75.04 C ATOM 1268 CD2 LEU A 147 22.067 33.466 -35.395 1.00 34.23 C ATOM 0 H LEU A 147 19.540 28.887 -34.658 1.00 64.13 H new ATOM 0 HA LEU A 147 19.818 30.789 -33.535 1.00 53.53 H new ATOM 0 HB2 LEU A 147 20.207 31.389 -36.361 1.00 12.24 H new ATOM 0 HB3 LEU A 147 19.645 32.807 -35.498 1.00 12.24 H new ATOM 0 HG LEU A 147 21.571 32.141 -33.798 1.00 10.30 H new ATOM 0 HD11 LEU A 147 23.521 31.214 -34.982 1.00 75.04 H new ATOM 0 HD12 LEU A 147 22.171 30.056 -34.926 1.00 75.04 H new ATOM 0 HD13 LEU A 147 22.515 30.951 -36.426 1.00 75.04 H new ATOM 0 HD21 LEU A 147 23.082 33.641 -35.039 1.00 34.23 H new ATOM 0 HD22 LEU A 147 22.058 33.470 -36.485 1.00 34.23 H new ATOM 0 HD23 LEU A 147 21.412 34.254 -35.024 1.00 34.23 H new TER 1280 LEU A 147 ATOM 1281 N HIS B 518 60.394 -25.959 -61.560 1.00 21.13 N ATOM 1282 CA HIS B 518 59.356 -25.113 -62.136 1.00 35.22 C ATOM 1283 C HIS B 518 59.584 -23.648 -61.775 1.00 35.13 C ATOM 1284 O HIS B 518 60.200 -23.339 -60.756 1.00 13.03 O ATOM 1285 CB HIS B 518 57.976 -25.560 -61.653 1.00 50.40 C ATOM 1286 CG HIS B 518 57.782 -25.408 -60.175 1.00 11.31 C ATOM 1287 ND1 HIS B 518 58.247 -26.324 -59.256 1.00 51.44 N ATOM 1288 CD2 HIS B 518 57.169 -24.436 -59.459 1.00 52.22 C ATOM 1289 CE1 HIS B 518 57.927 -25.923 -58.038 1.00 51.12 C ATOM 1290 NE2 HIS B 518 57.274 -24.780 -58.133 1.00 12.11 N ATOM 0 HA HIS B 518 59.403 -25.213 -63.220 1.00 35.22 H new ATOM 0 HB2 HIS B 518 57.213 -24.981 -62.173 1.00 50.40 H new ATOM 0 HB3 HIS B 518 57.825 -26.604 -61.926 1.00 50.40 H new ATOM 0 HD2 HIS B 518 56.687 -23.555 -59.856 1.00 52.22 H new ATOM 0 HE1 HIS B 518 58.160 -26.443 -57.120 1.00 51.12 H new ATOM 0 HE2 HIS B 518 56.907 -24.240 -57.349 1.00 12.11 H new ATOM 1299 N MET B 519 59.086 -22.750 -62.619 1.00 20.22 N ATOM 1300 CA MET B 519 59.236 -21.319 -62.388 1.00 45.23 C ATOM 1301 C MET B 519 58.543 -20.900 -61.096 1.00 50.30 C ATOM 1302 O MET B 519 58.009 -21.739 -60.368 1.00 40.52 O ATOM 1303 CB MET B 519 58.665 -20.528 -63.566 1.00 3.13 C ATOM 1304 CG MET B 519 57.228 -20.893 -63.903 1.00 31.34 C ATOM 1305 SD MET B 519 57.082 -21.744 -65.486 1.00 5.43 S ATOM 1306 CE MET B 519 56.567 -20.398 -66.549 1.00 34.34 C ATOM 0 H MET B 519 58.575 -22.989 -63.469 1.00 20.22 H new ATOM 0 HA MET B 519 60.300 -21.102 -62.295 1.00 45.23 H new ATOM 0 HB2 MET B 519 58.717 -19.463 -63.338 1.00 3.13 H new ATOM 0 HB3 MET B 519 59.290 -20.697 -64.443 1.00 3.13 H new ATOM 0 HG2 MET B 519 56.824 -21.528 -63.115 1.00 31.34 H new ATOM 0 HG3 MET B 519 56.622 -19.987 -63.924 1.00 31.34 H new ATOM 0 HE1 MET B 519 56.435 -20.768 -67.566 1.00 34.34 H new ATOM 0 HE2 MET B 519 55.624 -19.988 -66.186 1.00 34.34 H new ATOM 0 HE3 MET B 519 57.328 -19.618 -66.543 1.00 34.34 H new ATOM 1316 N ASP B 520 58.555 -19.602 -60.816 1.00 74.23 N ATOM 1317 CA ASP B 520 57.926 -19.075 -59.611 1.00 31.44 C ATOM 1318 C ASP B 520 56.421 -19.322 -59.630 1.00 44.32 C ATOM 1319 O ASP B 520 55.819 -19.559 -60.678 1.00 1.42 O ATOM 1320 CB ASP B 520 58.207 -17.576 -59.479 1.00 25.13 C ATOM 1321 CG ASP B 520 59.478 -17.292 -58.701 1.00 32.35 C ATOM 1322 OD1 ASP B 520 59.718 -17.977 -57.685 1.00 72.23 O ATOM 1323 OD2 ASP B 520 60.233 -16.386 -59.112 1.00 3.02 O1- ATOM 0 H ASP B 520 58.993 -18.895 -61.407 1.00 74.23 H new ATOM 0 HA ASP B 520 58.350 -19.595 -58.752 1.00 31.44 H new ATOM 0 HB2 ASP B 520 58.286 -17.135 -60.473 1.00 25.13 H new ATOM 0 HB3 ASP B 520 57.365 -17.094 -58.983 1.00 25.13 H new ATOM 1328 N PRO B 521 55.797 -19.267 -58.444 1.00 54.32 N ATOM 1329 CA PRO B 521 54.354 -19.484 -58.297 1.00 73.43 C ATOM 1330 C PRO B 521 53.534 -18.344 -58.891 1.00 14.40 C ATOM 1331 O PRO B 521 52.586 -18.575 -59.644 1.00 3.11 O ATOM 1332 CB PRO B 521 54.158 -19.550 -56.782 1.00 34.25 C ATOM 1333 CG PRO B 521 55.296 -18.771 -56.217 1.00 74.43 C ATOM 1334 CD PRO B 521 56.451 -18.989 -57.154 1.00 2.40 C ATOM 0 HA PRO B 521 54.020 -20.379 -58.823 1.00 73.43 H new ATOM 0 HB2 PRO B 521 53.200 -19.121 -56.488 1.00 34.25 H new ATOM 0 HB3 PRO B 521 54.168 -20.580 -56.426 1.00 34.25 H new ATOM 0 HG2 PRO B 521 55.047 -17.712 -56.144 1.00 74.43 H new ATOM 0 HG3 PRO B 521 55.540 -19.111 -55.211 1.00 74.43 H new ATOM 0 HD2 PRO B 521 57.094 -18.110 -57.211 1.00 2.40 H new ATOM 0 HD3 PRO B 521 57.077 -19.822 -56.833 1.00 2.40 H new ATOM 1342 N LEU B 522 53.903 -17.115 -58.552 1.00 1.11 N ATOM 1343 CA LEU B 522 53.202 -15.939 -59.053 1.00 75.22 C ATOM 1344 C LEU B 522 53.925 -14.659 -58.645 1.00 30.33 C ATOM 1345 O LEU B 522 54.934 -14.699 -57.940 1.00 4.43 O ATOM 1346 CB LEU B 522 51.765 -15.915 -58.528 1.00 22.31 C ATOM 1347 CG LEU B 522 51.603 -15.707 -57.022 1.00 23.42 C ATOM 1348 CD1 LEU B 522 51.374 -14.237 -56.708 1.00 31.54 C ATOM 1349 CD2 LEU B 522 50.458 -16.555 -56.486 1.00 64.43 C ATOM 0 H LEU B 522 54.685 -16.906 -57.931 1.00 1.11 H new ATOM 0 HA LEU B 522 53.184 -15.994 -60.141 1.00 75.22 H new ATOM 0 HB2 LEU B 522 51.224 -15.122 -59.044 1.00 22.31 H new ATOM 0 HB3 LEU B 522 51.285 -16.856 -58.798 1.00 22.31 H new ATOM 0 HG LEU B 522 52.523 -16.023 -56.530 1.00 23.42 H new ATOM 0 HD11 LEU B 522 51.261 -14.108 -55.632 1.00 31.54 H new ATOM 0 HD12 LEU B 522 52.227 -13.654 -57.056 1.00 31.54 H new ATOM 0 HD13 LEU B 522 50.470 -13.894 -57.211 1.00 31.54 H new ATOM 0 HD21 LEU B 522 50.358 -16.394 -55.413 1.00 64.43 H new ATOM 0 HD22 LEU B 522 49.531 -16.271 -56.984 1.00 64.43 H new ATOM 0 HD23 LEU B 522 50.665 -17.608 -56.677 1.00 64.43 H new ATOM 1361 N THR B 523 53.400 -13.521 -59.091 1.00 53.05 N ATOM 1362 CA THR B 523 53.994 -12.228 -58.771 1.00 40.25 C ATOM 1363 C THR B 523 53.061 -11.395 -57.901 1.00 12.10 C ATOM 1364 O THR B 523 52.147 -10.730 -58.389 1.00 20.21 O ATOM 1365 CB THR B 523 54.333 -11.436 -60.048 1.00 32.04 C ATOM 1366 OG1 THR B 523 54.679 -10.088 -59.710 1.00 63.35 O ATOM 1367 CG2 THR B 523 53.157 -11.436 -61.013 1.00 73.11 C ATOM 0 H THR B 523 52.565 -13.469 -59.675 1.00 53.05 H new ATOM 0 HA THR B 523 54.914 -12.429 -58.222 1.00 40.25 H new ATOM 0 HB THR B 523 55.181 -11.918 -60.534 1.00 32.04 H new ATOM 0 HG1 THR B 523 54.895 -9.591 -60.527 1.00 63.35 H new ATOM 0 HG21 THR B 523 53.420 -10.871 -61.907 1.00 73.11 H new ATOM 0 HG22 THR B 523 52.914 -12.462 -61.291 1.00 73.11 H new ATOM 0 HG23 THR B 523 52.293 -10.976 -60.534 1.00 73.11 H new ATOM 1375 N PRO B 524 53.295 -11.428 -56.581 1.00 61.23 N ATOM 1376 CA PRO B 524 52.486 -10.679 -55.615 1.00 21.31 C ATOM 1377 C PRO B 524 52.709 -9.174 -55.715 1.00 11.10 C ATOM 1378 O PRO B 524 53.847 -8.708 -55.770 1.00 65.14 O ATOM 1379 CB PRO B 524 52.974 -11.203 -54.261 1.00 71.15 C ATOM 1380 CG PRO B 524 54.362 -11.680 -54.519 1.00 14.31 C ATOM 1381 CD PRO B 524 54.367 -12.199 -55.929 1.00 21.34 C ATOM 0 HA PRO B 524 51.418 -10.820 -55.782 1.00 21.31 H new ATOM 0 HB2 PRO B 524 52.959 -10.419 -53.504 1.00 71.15 H new ATOM 0 HB3 PRO B 524 52.339 -12.010 -53.896 1.00 71.15 H new ATOM 0 HG2 PRO B 524 55.081 -10.870 -54.399 1.00 14.31 H new ATOM 0 HG3 PRO B 524 54.643 -12.463 -53.814 1.00 14.31 H new ATOM 0 HD2 PRO B 524 55.330 -12.037 -56.413 1.00 21.34 H new ATOM 0 HD3 PRO B 524 54.169 -13.270 -55.963 1.00 21.34 H new ATOM 1389 N ASP B 525 51.616 -8.419 -55.738 1.00 31.30 N ATOM 1390 CA ASP B 525 51.693 -6.965 -55.830 1.00 51.41 C ATOM 1391 C ASP B 525 50.498 -6.314 -55.141 1.00 61.44 C ATOM 1392 O ASP B 525 49.435 -6.920 -55.015 1.00 70.22 O ATOM 1393 CB ASP B 525 51.752 -6.529 -57.295 1.00 53.22 C ATOM 1394 CG ASP B 525 52.492 -5.218 -57.478 1.00 74.23 C ATOM 1395 OD1 ASP B 525 51.910 -4.286 -58.071 1.00 15.03 O ATOM 1396 OD2 ASP B 525 53.652 -5.124 -57.028 1.00 4.21 O1- ATOM 0 H ASP B 525 50.667 -8.789 -55.694 1.00 31.30 H new ATOM 0 HA ASP B 525 52.603 -6.640 -55.325 1.00 51.41 H new ATOM 0 HB2 ASP B 525 52.242 -7.305 -57.883 1.00 53.22 H new ATOM 0 HB3 ASP B 525 50.738 -6.428 -57.682 1.00 53.22 H new ATOM 1401 N ALA B 526 50.682 -5.076 -54.694 1.00 64.40 N ATOM 1402 CA ALA B 526 49.620 -4.341 -54.019 1.00 74.21 C ATOM 1403 C ALA B 526 49.926 -2.848 -53.975 1.00 60.43 C ATOM 1404 O ALA B 526 51.034 -2.422 -54.300 1.00 3.51 O ATOM 1405 CB ALA B 526 49.419 -4.880 -52.610 1.00 22.02 C ATOM 0 H ALA B 526 51.557 -4.561 -54.787 1.00 64.40 H new ATOM 0 HA ALA B 526 48.700 -4.480 -54.586 1.00 74.21 H new ATOM 0 HB1 ALA B 526 48.623 -4.322 -52.117 1.00 22.02 H new ATOM 0 HB2 ALA B 526 49.147 -5.934 -52.659 1.00 22.02 H new ATOM 0 HB3 ALA B 526 50.344 -4.770 -52.043 1.00 22.02 H new ATOM 1411 N SER B 527 48.936 -2.057 -53.575 1.00 22.23 N ATOM 1412 CA SER B 527 49.098 -0.610 -53.495 1.00 10.42 C ATOM 1413 C SER B 527 50.037 -0.231 -52.353 1.00 55.23 C ATOM 1414 O SER B 527 49.659 -0.276 -51.184 1.00 74.31 O ATOM 1415 CB SER B 527 47.739 0.067 -53.299 1.00 54.03 C ATOM 1416 OG SER B 527 46.680 -0.804 -53.656 1.00 33.11 O ATOM 0 H SER B 527 48.013 -2.394 -53.301 1.00 22.23 H new ATOM 0 HA SER B 527 49.536 -0.266 -54.432 1.00 10.42 H new ATOM 0 HB2 SER B 527 47.628 0.372 -52.259 1.00 54.03 H new ATOM 0 HB3 SER B 527 47.689 0.972 -53.904 1.00 54.03 H new ATOM 0 HG SER B 527 45.823 -0.349 -53.520 1.00 33.11 H new ATOM 1422 N GLU B 528 51.264 0.141 -52.705 1.00 34.44 N ATOM 1423 CA GLU B 528 52.259 0.528 -51.711 1.00 70.03 C ATOM 1424 C GLU B 528 52.638 1.998 -51.862 1.00 45.40 C ATOM 1425 O GLU B 528 52.245 2.838 -51.053 1.00 23.21 O ATOM 1426 CB GLU B 528 53.507 -0.349 -51.838 1.00 24.51 C ATOM 1427 CG GLU B 528 54.590 -0.016 -50.826 1.00 63.11 C ATOM 1428 CD GLU B 528 54.642 -1.008 -49.681 1.00 25.14 C ATOM 1429 OE1 GLU B 528 54.868 -2.208 -49.946 1.00 15.45 O ATOM 1430 OE2 GLU B 528 54.458 -0.586 -48.520 1.00 52.05 O1- ATOM 0 H GLU B 528 51.593 0.183 -53.670 1.00 34.44 H new ATOM 0 HA GLU B 528 51.822 0.385 -50.723 1.00 70.03 H new ATOM 0 HB2 GLU B 528 53.220 -1.394 -51.720 1.00 24.51 H new ATOM 0 HB3 GLU B 528 53.915 -0.242 -52.843 1.00 24.51 H new ATOM 0 HG2 GLU B 528 55.557 0.005 -51.328 1.00 63.11 H new ATOM 0 HG3 GLU B 528 54.416 0.984 -50.428 1.00 63.11 H new ATOM 1437 N SER B 529 53.405 2.300 -52.905 1.00 24.10 N ATOM 1438 CA SER B 529 53.841 3.668 -53.161 1.00 74.23 C ATOM 1439 C SER B 529 53.020 4.300 -54.282 1.00 3.40 C ATOM 1440 O SER B 529 53.527 5.107 -55.060 1.00 61.24 O ATOM 1441 CB SER B 529 55.327 3.691 -53.527 1.00 63.34 C ATOM 1442 OG SER B 529 55.777 5.018 -53.744 1.00 34.34 O ATOM 0 H SER B 529 53.737 1.617 -53.586 1.00 24.10 H new ATOM 0 HA SER B 529 53.688 4.248 -52.251 1.00 74.23 H new ATOM 0 HB2 SER B 529 55.909 3.232 -52.728 1.00 63.34 H new ATOM 0 HB3 SER B 529 55.493 3.096 -54.425 1.00 63.34 H new ATOM 0 HG SER B 529 55.130 5.495 -54.305 1.00 34.34 H new ATOM 1448 N VAL B 530 51.747 3.924 -54.358 1.00 34.03 N ATOM 1449 CA VAL B 530 50.853 4.453 -55.381 1.00 72.15 C ATOM 1450 C VAL B 530 50.452 5.891 -55.070 1.00 13.35 C ATOM 1451 O VAL B 530 50.279 6.707 -55.975 1.00 62.34 O ATOM 1452 CB VAL B 530 49.582 3.594 -55.515 1.00 51.23 C ATOM 1453 CG1 VAL B 530 48.835 3.537 -54.192 1.00 75.24 C ATOM 1454 CG2 VAL B 530 48.686 4.137 -56.619 1.00 2.14 C ATOM 0 H VAL B 530 51.312 3.255 -53.723 1.00 34.03 H new ATOM 0 HA VAL B 530 51.400 4.427 -56.323 1.00 72.15 H new ATOM 0 HB VAL B 530 49.877 2.579 -55.783 1.00 51.23 H new ATOM 0 HG11 VAL B 530 47.940 2.926 -54.306 1.00 75.24 H new ATOM 0 HG12 VAL B 530 49.479 3.099 -53.429 1.00 75.24 H new ATOM 0 HG13 VAL B 530 48.550 4.545 -53.891 1.00 75.24 H new ATOM 0 HG21 VAL B 530 47.792 3.518 -56.700 1.00 2.14 H new ATOM 0 HG22 VAL B 530 48.398 5.161 -56.383 1.00 2.14 H new ATOM 0 HG23 VAL B 530 49.225 4.121 -57.566 1.00 2.14 H new ATOM 1464 N ASN B 531 50.305 6.194 -53.785 1.00 50.32 N ATOM 1465 CA ASN B 531 49.924 7.534 -53.354 1.00 54.32 C ATOM 1466 C ASN B 531 51.158 8.380 -53.053 1.00 34.52 C ATOM 1467 O ASN B 531 52.136 7.891 -52.490 1.00 34.23 O ATOM 1468 CB ASN B 531 49.029 7.459 -52.116 1.00 1.55 C ATOM 1469 CG ASN B 531 47.666 6.870 -52.422 1.00 54.25 C ATOM 1470 OD1 ASN B 531 47.352 6.570 -53.573 1.00 63.14 O ATOM 1471 ND2 ASN B 531 46.848 6.704 -51.389 1.00 21.12 N ATOM 0 H ASN B 531 50.444 5.530 -53.024 1.00 50.32 H new ATOM 0 HA ASN B 531 49.371 8.006 -54.166 1.00 54.32 H new ATOM 0 HB2 ASN B 531 49.520 6.855 -51.353 1.00 1.55 H new ATOM 0 HB3 ASN B 531 48.905 8.459 -51.700 1.00 1.55 H new ATOM 0 HD21 ASN B 531 45.917 6.313 -51.533 1.00 21.12 H new ATOM 0 HD22 ASN B 531 47.151 6.967 -50.451 1.00 21.12 H new ATOM 1478 N ASN B 532 51.103 9.652 -53.434 1.00 22.22 N ATOM 1479 CA ASN B 532 52.215 10.568 -53.205 1.00 1.42 C ATOM 1480 C ASN B 532 51.762 11.787 -52.407 1.00 44.13 C ATOM 1481 O ASN B 532 50.721 12.378 -52.697 1.00 32.50 O ATOM 1482 CB ASN B 532 52.819 11.012 -54.539 1.00 52.44 C ATOM 1483 CG ASN B 532 51.823 11.764 -55.402 1.00 72.53 C ATOM 1484 OD1 ASN B 532 51.663 12.977 -55.272 1.00 72.51 O ATOM 1485 ND2 ASN B 532 51.148 11.042 -56.290 1.00 42.51 N ATOM 0 H ASN B 532 50.300 10.072 -53.903 1.00 22.22 H new ATOM 0 HA ASN B 532 52.974 10.041 -52.627 1.00 1.42 H new ATOM 0 HB2 ASN B 532 53.684 11.647 -54.350 1.00 52.44 H new ATOM 0 HB3 ASN B 532 53.178 10.137 -55.081 1.00 52.44 H new ATOM 0 HD21 ASN B 532 50.464 11.492 -56.899 1.00 42.51 H new ATOM 0 HD22 ASN B 532 51.314 10.038 -56.363 1.00 42.51 H new ATOM 1492 N ILE B 533 52.550 12.155 -51.404 1.00 4.31 N ATOM 1493 CA ILE B 533 52.231 13.305 -50.565 1.00 60.32 C ATOM 1494 C ILE B 533 53.458 14.183 -50.345 1.00 54.13 C ATOM 1495 O ILE B 533 54.589 13.696 -50.330 1.00 12.31 O ATOM 1496 CB ILE B 533 51.674 12.867 -49.198 1.00 51.21 C ATOM 1497 CG1 ILE B 533 52.694 11.993 -48.464 1.00 70.53 C ATOM 1498 CG2 ILE B 533 50.359 12.122 -49.374 1.00 41.24 C ATOM 1499 CD1 ILE B 533 52.588 10.524 -48.809 1.00 11.24 C ATOM 0 H ILE B 533 53.414 11.675 -51.152 1.00 4.31 H new ATOM 0 HA ILE B 533 51.468 13.878 -51.092 1.00 60.32 H new ATOM 0 HB ILE B 533 51.486 13.757 -48.597 1.00 51.21 H new ATOM 0 HG12 ILE B 533 53.699 12.343 -48.702 1.00 70.53 H new ATOM 0 HG13 ILE B 533 52.560 12.116 -47.389 1.00 70.53 H new ATOM 0 HG21 ILE B 533 49.979 11.819 -48.398 1.00 41.24 H new ATOM 0 HG22 ILE B 533 49.633 12.774 -49.860 1.00 41.24 H new ATOM 0 HG23 ILE B 533 50.521 11.238 -49.990 1.00 41.24 H new ATOM 0 HD11 ILE B 533 53.340 9.964 -48.253 1.00 11.24 H new ATOM 0 HD12 ILE B 533 51.595 10.159 -48.545 1.00 11.24 H new ATOM 0 HD13 ILE B 533 52.752 10.389 -49.878 1.00 11.24 H new ATOM 1511 N LEU B 534 53.227 15.480 -50.173 1.00 4.44 N ATOM 1512 CA LEU B 534 54.314 16.427 -49.950 1.00 61.11 C ATOM 1513 C LEU B 534 54.758 16.414 -48.491 1.00 32.54 C ATOM 1514 O LEU B 534 54.179 15.713 -47.661 1.00 62.31 O ATOM 1515 CB LEU B 534 53.877 17.838 -50.350 1.00 2.04 C ATOM 1516 CG LEU B 534 53.126 18.635 -49.283 1.00 60.34 C ATOM 1517 CD1 LEU B 534 52.881 20.060 -49.756 1.00 34.13 C ATOM 1518 CD2 LEU B 534 51.811 17.953 -48.935 1.00 61.30 C ATOM 0 H LEU B 534 52.297 15.900 -50.184 1.00 4.44 H new ATOM 0 HA LEU B 534 55.159 16.125 -50.569 1.00 61.11 H new ATOM 0 HB2 LEU B 534 54.763 18.403 -50.640 1.00 2.04 H new ATOM 0 HB3 LEU B 534 53.243 17.764 -51.233 1.00 2.04 H new ATOM 0 HG LEU B 534 53.741 18.673 -48.384 1.00 60.34 H new ATOM 0 HD11 LEU B 534 52.345 20.613 -48.984 1.00 34.13 H new ATOM 0 HD12 LEU B 534 53.836 20.547 -49.954 1.00 34.13 H new ATOM 0 HD13 LEU B 534 52.286 20.043 -50.669 1.00 34.13 H new ATOM 0 HD21 LEU B 534 51.290 18.534 -48.174 1.00 61.30 H new ATOM 0 HD22 LEU B 534 51.189 17.884 -49.828 1.00 61.30 H new ATOM 0 HD23 LEU B 534 52.010 16.952 -48.553 1.00 61.30 H new ATOM 1530 N LYS B 535 55.788 17.195 -48.185 1.00 14.02 N ATOM 1531 CA LYS B 535 56.310 17.278 -46.826 1.00 64.31 C ATOM 1532 C LYS B 535 55.702 18.463 -46.081 1.00 72.41 C ATOM 1533 O LYS B 535 55.935 19.617 -46.440 1.00 14.31 O ATOM 1534 CB LYS B 535 57.834 17.402 -46.848 1.00 54.24 C ATOM 1535 CG LYS B 535 58.435 17.763 -45.501 1.00 50.42 C ATOM 1536 CD LYS B 535 59.564 16.819 -45.123 1.00 13.13 C ATOM 1537 CE LYS B 535 60.820 17.100 -45.933 1.00 52.33 C ATOM 1538 NZ LYS B 535 61.700 18.098 -45.265 1.00 62.51 N1+ ATOM 0 H LYS B 535 56.279 17.781 -48.861 1.00 14.02 H new ATOM 0 HA LYS B 535 56.035 16.362 -46.302 1.00 64.31 H new ATOM 0 HB2 LYS B 535 58.262 16.458 -47.186 1.00 54.24 H new ATOM 0 HB3 LYS B 535 58.118 18.160 -47.578 1.00 54.24 H new ATOM 0 HG2 LYS B 535 58.810 18.786 -45.531 1.00 50.42 H new ATOM 0 HG3 LYS B 535 57.660 17.730 -44.735 1.00 50.42 H new ATOM 0 HD2 LYS B 535 59.785 16.921 -44.060 1.00 13.13 H new ATOM 0 HD3 LYS B 535 59.248 15.789 -45.285 1.00 13.13 H new ATOM 0 HE2 LYS B 535 61.371 16.172 -46.081 1.00 52.33 H new ATOM 0 HE3 LYS B 535 60.541 17.466 -46.921 1.00 52.33 H new ATOM 0 HZ1 LYS B 535 62.545 18.262 -45.849 1.00 62.51 H new ATOM 0 HZ2 LYS B 535 61.183 18.992 -45.146 1.00 62.51 H new ATOM 0 HZ3 LYS B 535 61.988 17.738 -44.333 1.00 62.51 H new ATOM 1552 N GLN B 536 54.926 18.170 -45.043 1.00 24.12 N ATOM 1553 CA GLN B 536 54.287 19.212 -44.250 1.00 22.34 C ATOM 1554 C GLN B 536 54.348 18.878 -42.762 1.00 62.32 C ATOM 1555 O GLN B 536 54.328 17.709 -42.377 1.00 50.41 O ATOM 1556 CB GLN B 536 52.831 19.394 -44.684 1.00 51.31 C ATOM 1557 CG GLN B 536 51.901 18.309 -44.166 1.00 35.41 C ATOM 1558 CD GLN B 536 50.566 18.295 -44.882 1.00 30.51 C ATOM 1559 OE1 GLN B 536 49.781 19.238 -44.777 1.00 45.21 O ATOM 1560 NE2 GLN B 536 50.301 17.222 -45.619 1.00 61.41 N ATOM 0 H GLN B 536 54.725 17.220 -44.732 1.00 24.12 H new ATOM 0 HA GLN B 536 54.828 20.143 -44.418 1.00 22.34 H new ATOM 0 HB2 GLN B 536 52.475 20.363 -44.335 1.00 51.31 H new ATOM 0 HB3 GLN B 536 52.785 19.411 -45.773 1.00 51.31 H new ATOM 0 HG2 GLN B 536 52.382 17.338 -44.282 1.00 35.41 H new ATOM 0 HG3 GLN B 536 51.735 18.457 -43.099 1.00 35.41 H new ATOM 0 HE21 GLN B 536 50.980 16.463 -45.678 1.00 61.41 H new ATOM 0 HE22 GLN B 536 49.418 17.157 -46.126 1.00 61.41 H new ATOM 1569 N SER B 537 54.422 19.913 -41.931 1.00 14.31 N ATOM 1570 CA SER B 537 54.489 19.728 -40.486 1.00 14.23 C ATOM 1571 C SER B 537 53.905 20.934 -39.756 1.00 74.01 C ATOM 1572 O SER B 537 54.279 22.075 -40.022 1.00 11.11 O ATOM 1573 CB SER B 537 55.938 19.504 -40.046 1.00 13.52 C ATOM 1574 OG SER B 537 56.007 18.597 -38.961 1.00 64.54 O ATOM 0 H SER B 537 54.437 20.887 -42.233 1.00 14.31 H new ATOM 0 HA SER B 537 53.898 18.849 -40.229 1.00 14.23 H new ATOM 0 HB2 SER B 537 56.520 19.119 -40.883 1.00 13.52 H new ATOM 0 HB3 SER B 537 56.385 20.455 -39.758 1.00 13.52 H new ATOM 0 HG SER B 537 56.943 18.470 -38.700 1.00 64.54 H new ATOM 1580 N GLY B 538 52.984 20.671 -38.834 1.00 40.34 N ATOM 1581 CA GLY B 538 52.362 21.743 -38.080 1.00 13.30 C ATOM 1582 C GLY B 538 50.855 21.768 -38.244 1.00 44.23 C ATOM 1583 O GLY B 538 50.262 22.829 -38.430 1.00 4.52 O ATOM 0 H GLY B 538 52.658 19.734 -38.596 1.00 40.34 H new ATOM 0 HA2 GLY B 538 52.608 21.630 -37.024 1.00 13.30 H new ATOM 0 HA3 GLY B 538 52.776 22.698 -38.404 1.00 13.30 H new ATOM 1587 N ALA B 539 50.235 20.594 -38.175 1.00 15.34 N ATOM 1588 CA ALA B 539 48.788 20.486 -38.317 1.00 61.14 C ATOM 1589 C ALA B 539 48.214 19.479 -37.327 1.00 52.01 C ATOM 1590 O ALA B 539 48.956 18.804 -36.612 1.00 53.15 O ATOM 1591 CB ALA B 539 48.425 20.094 -39.741 1.00 63.32 C ATOM 0 H ALA B 539 50.712 19.705 -38.022 1.00 15.34 H new ATOM 0 HA ALA B 539 48.352 21.461 -38.098 1.00 61.14 H new ATOM 0 HB1 ALA B 539 47.342 20.017 -39.832 1.00 63.32 H new ATOM 0 HB2 ALA B 539 48.795 20.851 -40.432 1.00 63.32 H new ATOM 0 HB3 ALA B 539 48.878 19.132 -39.980 1.00 63.32 H new ATOM 1597 N TRP B 540 46.890 19.383 -37.288 1.00 64.23 N ATOM 1598 CA TRP B 540 46.216 18.458 -36.384 1.00 74.22 C ATOM 1599 C TRP B 540 44.954 17.893 -37.025 1.00 14.34 C ATOM 1600 O TRP B 540 44.078 18.640 -37.458 1.00 54.13 O ATOM 1601 CB TRP B 540 45.865 19.161 -35.071 1.00 74.04 C ATOM 1602 CG TRP B 540 46.985 19.993 -34.524 1.00 15.41 C ATOM 1603 CD1 TRP B 540 47.310 21.269 -34.884 1.00 11.20 C ATOM 1604 CD2 TRP B 540 47.930 19.604 -33.521 1.00 44.12 C ATOM 1605 NE1 TRP B 540 48.400 21.698 -34.165 1.00 30.21 N ATOM 1606 CE2 TRP B 540 48.799 20.696 -33.322 1.00 22.41 C ATOM 1607 CE3 TRP B 540 48.126 18.442 -32.770 1.00 53.35 C ATOM 1608 CZ2 TRP B 540 49.845 20.655 -32.404 1.00 34.03 C ATOM 1609 CZ3 TRP B 540 49.165 18.403 -31.860 1.00 24.52 C ATOM 1610 CH2 TRP B 540 50.013 19.505 -31.682 1.00 22.11 C ATOM 0 H TRP B 540 46.262 19.935 -37.872 1.00 64.23 H new ATOM 0 HA TRP B 540 46.896 17.632 -36.176 1.00 74.22 H new ATOM 0 HB2 TRP B 540 44.994 19.797 -35.229 1.00 74.04 H new ATOM 0 HB3 TRP B 540 45.583 18.412 -34.331 1.00 74.04 H new ATOM 0 HD1 TRP B 540 46.787 21.855 -35.625 1.00 11.20 H new ATOM 0 HE1 TRP B 540 48.840 22.614 -34.246 1.00 30.21 H new ATOM 0 HE3 TRP B 540 47.476 17.589 -32.899 1.00 53.35 H new ATOM 0 HZ2 TRP B 540 50.501 21.502 -32.267 1.00 34.03 H new ATOM 0 HZ3 TRP B 540 49.326 17.509 -31.276 1.00 24.52 H new ATOM 0 HH2 TRP B 540 50.815 19.445 -30.961 1.00 22.11 H new ATOM 1621 N SER B 541 44.868 16.567 -37.082 1.00 34.54 N ATOM 1622 CA SER B 541 43.714 15.901 -37.673 1.00 2.20 C ATOM 1623 C SER B 541 43.807 14.388 -37.493 1.00 32.22 C ATOM 1624 O SER B 541 44.866 13.856 -37.160 1.00 42.44 O ATOM 1625 CB SER B 541 43.608 16.243 -39.161 1.00 3.02 C ATOM 1626 OG SER B 541 42.469 15.634 -39.745 1.00 54.44 O ATOM 0 H SER B 541 45.584 15.934 -36.726 1.00 34.54 H new ATOM 0 HA SER B 541 42.820 16.256 -37.161 1.00 2.20 H new ATOM 0 HB2 SER B 541 43.550 17.324 -39.285 1.00 3.02 H new ATOM 0 HB3 SER B 541 44.508 15.910 -39.679 1.00 3.02 H new ATOM 0 HG SER B 541 42.423 15.869 -40.695 1.00 54.44 H new ATOM 1632 N GLY B 542 42.692 13.701 -37.717 1.00 4.53 N ATOM 1633 CA GLY B 542 42.668 12.257 -37.575 1.00 64.24 C ATOM 1634 C GLY B 542 41.344 11.749 -37.039 1.00 5.44 C ATOM 1635 O GLY B 542 40.299 11.950 -37.657 1.00 43.23 O ATOM 0 H GLY B 542 41.804 14.119 -37.995 1.00 4.53 H new ATOM 0 HA2 GLY B 542 42.865 11.796 -38.543 1.00 64.24 H new ATOM 0 HA3 GLY B 542 43.470 11.947 -36.905 1.00 64.24 H new ATOM 1639 N ASP B 543 41.389 11.088 -35.888 1.00 11.14 N ATOM 1640 CA ASP B 543 40.184 10.548 -35.269 1.00 52.52 C ATOM 1641 C ASP B 543 39.548 11.573 -34.334 1.00 13.13 C ATOM 1642 O ASP B 543 38.328 11.603 -34.166 1.00 20.02 O ATOM 1643 CB ASP B 543 40.509 9.269 -34.497 1.00 25.25 C ATOM 1644 CG ASP B 543 41.164 8.217 -35.372 1.00 14.33 C ATOM 1645 OD1 ASP B 543 40.541 7.157 -35.593 1.00 4.03 O ATOM 1646 OD2 ASP B 543 42.299 8.454 -35.835 1.00 51.20 O1- ATOM 0 H ASP B 543 42.247 10.913 -35.365 1.00 11.14 H new ATOM 0 HA ASP B 543 39.473 10.313 -36.061 1.00 52.52 H new ATOM 0 HB2 ASP B 543 41.170 9.508 -33.664 1.00 25.25 H new ATOM 0 HB3 ASP B 543 39.592 8.863 -34.069 1.00 25.25 H new ATOM 1651 N ASP B 544 40.382 12.408 -33.725 1.00 15.42 N ATOM 1652 CA ASP B 544 39.902 13.435 -32.807 1.00 51.14 C ATOM 1653 C ASP B 544 38.747 14.218 -33.422 1.00 4.23 C ATOM 1654 O ASP B 544 37.848 14.678 -32.716 1.00 2.42 O ATOM 1655 CB ASP B 544 41.039 14.387 -32.433 1.00 73.54 C ATOM 1656 CG ASP B 544 42.218 13.666 -31.812 1.00 21.23 C ATOM 1657 OD1 ASP B 544 42.096 13.216 -30.653 1.00 50.03 O ATOM 1658 OD2 ASP B 544 43.264 13.550 -32.485 1.00 63.43 O1- ATOM 0 H ASP B 544 41.394 12.394 -33.850 1.00 15.42 H new ATOM 0 HA ASP B 544 39.541 12.941 -31.905 1.00 51.14 H new ATOM 0 HB2 ASP B 544 41.371 14.919 -33.324 1.00 73.54 H new ATOM 0 HB3 ASP B 544 40.666 15.136 -31.735 1.00 73.54 H new ATOM 1663 N LYS B 545 38.776 14.366 -34.742 1.00 75.25 N ATOM 1664 CA LYS B 545 37.732 15.094 -35.455 1.00 24.24 C ATOM 1665 C LYS B 545 36.348 14.607 -35.036 1.00 33.21 C ATOM 1666 O LYS B 545 35.492 15.401 -34.643 1.00 50.14 O ATOM 1667 CB LYS B 545 37.907 14.928 -36.965 1.00 64.44 C ATOM 1668 CG LYS B 545 38.770 16.006 -37.599 1.00 54.23 C ATOM 1669 CD LYS B 545 40.207 15.930 -37.111 1.00 42.41 C ATOM 1670 CE LYS B 545 40.476 16.944 -36.010 1.00 62.41 C ATOM 1671 NZ LYS B 545 40.957 18.243 -36.558 1.00 40.23 N1+ ATOM 0 H LYS B 545 39.512 13.991 -35.341 1.00 75.25 H new ATOM 0 HA LYS B 545 37.820 16.150 -35.200 1.00 24.24 H new ATOM 0 HB2 LYS B 545 38.352 13.953 -37.166 1.00 64.44 H new ATOM 0 HB3 LYS B 545 36.926 14.934 -37.439 1.00 64.44 H new ATOM 0 HG2 LYS B 545 38.747 15.900 -38.684 1.00 54.23 H new ATOM 0 HG3 LYS B 545 38.357 16.987 -37.366 1.00 54.23 H new ATOM 0 HD2 LYS B 545 40.414 14.926 -36.741 1.00 42.41 H new ATOM 0 HD3 LYS B 545 40.886 16.108 -37.945 1.00 42.41 H new ATOM 0 HE2 LYS B 545 39.564 17.107 -35.436 1.00 62.41 H new ATOM 0 HE3 LYS B 545 41.219 16.543 -35.321 1.00 62.41 H new ATOM 0 HZ1 LYS B 545 40.778 18.999 -35.867 1.00 40.23 H new ATOM 0 HZ2 LYS B 545 41.978 18.183 -36.748 1.00 40.23 H new ATOM 0 HZ3 LYS B 545 40.452 18.455 -37.442 1.00 40.23 H new ATOM 1685 N LEU B 546 36.136 13.299 -35.121 1.00 71.42 N ATOM 1686 CA LEU B 546 34.855 12.706 -34.750 1.00 33.24 C ATOM 1687 C LEU B 546 34.849 12.301 -33.279 1.00 5.43 C ATOM 1688 O LEU B 546 33.800 12.286 -32.635 1.00 43.24 O ATOM 1689 CB LEU B 546 34.561 11.487 -35.627 1.00 40.40 C ATOM 1690 CG LEU B 546 35.554 10.329 -35.521 1.00 10.12 C ATOM 1691 CD1 LEU B 546 35.151 9.381 -34.403 1.00 23.44 C ATOM 1692 CD2 LEU B 546 35.650 9.586 -36.845 1.00 60.44 C ATOM 0 H LEU B 546 36.834 12.628 -35.443 1.00 71.42 H new ATOM 0 HA LEU B 546 34.078 13.454 -34.906 1.00 33.24 H new ATOM 0 HB2 LEU B 546 33.569 11.113 -35.374 1.00 40.40 H new ATOM 0 HB3 LEU B 546 34.523 11.813 -36.666 1.00 40.40 H new ATOM 0 HG LEU B 546 36.536 10.738 -35.285 1.00 10.12 H new ATOM 0 HD11 LEU B 546 35.869 8.563 -34.343 1.00 23.44 H new ATOM 0 HD12 LEU B 546 35.135 9.921 -33.456 1.00 23.44 H new ATOM 0 HD13 LEU B 546 34.159 8.978 -34.607 1.00 23.44 H new ATOM 0 HD21 LEU B 546 36.361 8.765 -36.751 1.00 60.44 H new ATOM 0 HD22 LEU B 546 34.670 9.189 -37.111 1.00 60.44 H new ATOM 0 HD23 LEU B 546 35.987 10.271 -37.623 1.00 60.44 H new ATOM 1704 N GLN B 547 36.025 11.977 -32.754 1.00 42.22 N ATOM 1705 CA GLN B 547 36.155 11.575 -31.359 1.00 10.14 C ATOM 1706 C GLN B 547 35.483 12.585 -30.436 1.00 64.45 C ATOM 1707 O GLN B 547 34.727 12.214 -29.538 1.00 15.25 O ATOM 1708 CB GLN B 547 37.631 11.427 -30.984 1.00 1.31 C ATOM 1709 CG GLN B 547 37.929 10.178 -30.169 1.00 14.25 C ATOM 1710 CD GLN B 547 39.287 10.230 -29.498 1.00 4.03 C ATOM 1711 OE1 GLN B 547 40.257 9.652 -29.987 1.00 45.43 O ATOM 1712 NE2 GLN B 547 39.363 10.926 -28.368 1.00 30.11 N ATOM 0 H GLN B 547 36.903 11.985 -33.274 1.00 42.22 H new ATOM 0 HA GLN B 547 35.658 10.613 -31.237 1.00 10.14 H new ATOM 0 HB2 GLN B 547 38.229 11.407 -31.895 1.00 1.31 H new ATOM 0 HB3 GLN B 547 37.943 12.304 -30.417 1.00 1.31 H new ATOM 0 HG2 GLN B 547 37.157 10.051 -29.410 1.00 14.25 H new ATOM 0 HG3 GLN B 547 37.882 9.305 -30.819 1.00 14.25 H new ATOM 0 HE21 GLN B 547 38.533 11.390 -27.998 1.00 30.11 H new ATOM 0 HE22 GLN B 547 40.251 10.996 -27.871 1.00 30.11 H new ATOM 1721 N LYS B 548 35.762 13.864 -30.663 1.00 13.42 N ATOM 1722 CA LYS B 548 35.184 14.930 -29.854 1.00 2.43 C ATOM 1723 C LYS B 548 33.671 14.767 -29.739 1.00 11.31 C ATOM 1724 O LYS B 548 33.117 14.790 -28.640 1.00 25.34 O ATOM 1725 CB LYS B 548 35.516 16.296 -30.459 1.00 44.51 C ATOM 1726 CG LYS B 548 35.183 16.403 -31.937 1.00 74.23 C ATOM 1727 CD LYS B 548 36.075 17.413 -32.638 1.00 50.13 C ATOM 1728 CE LYS B 548 35.923 18.802 -32.036 1.00 33.50 C ATOM 1729 NZ LYS B 548 36.748 19.811 -32.757 1.00 32.25 N1+ ATOM 0 H LYS B 548 36.386 14.188 -31.402 1.00 13.42 H new ATOM 0 HA LYS B 548 35.616 14.868 -28.855 1.00 2.43 H new ATOM 0 HB2 LYS B 548 34.970 17.067 -29.915 1.00 44.51 H new ATOM 0 HB3 LYS B 548 36.578 16.498 -30.319 1.00 44.51 H new ATOM 0 HG2 LYS B 548 35.297 15.427 -32.408 1.00 74.23 H new ATOM 0 HG3 LYS B 548 34.139 16.694 -32.056 1.00 74.23 H new ATOM 0 HD2 LYS B 548 37.115 17.095 -32.564 1.00 50.13 H new ATOM 0 HD3 LYS B 548 35.826 17.446 -33.699 1.00 50.13 H new ATOM 0 HE2 LYS B 548 34.875 19.099 -32.068 1.00 33.50 H new ATOM 0 HE3 LYS B 548 36.215 18.777 -30.986 1.00 33.50 H new ATOM 0 HZ1 LYS B 548 36.617 20.744 -32.317 1.00 32.25 H new ATOM 0 HZ2 LYS B 548 37.751 19.541 -32.705 1.00 32.25 H new ATOM 0 HZ3 LYS B 548 36.452 19.853 -33.753 1.00 32.25 H new ATOM 1743 N TRP B 549 33.011 14.599 -30.879 1.00 35.00 N ATOM 1744 CA TRP B 549 31.563 14.430 -30.905 1.00 23.03 C ATOM 1745 C TRP B 549 31.143 13.206 -30.097 1.00 60.44 C ATOM 1746 O TRP B 549 30.409 13.322 -29.116 1.00 13.42 O ATOM 1747 CB TRP B 549 31.070 14.298 -32.347 1.00 1.00 C ATOM 1748 CG TRP B 549 31.439 15.466 -33.211 1.00 25.34 C ATOM 1749 CD1 TRP B 549 32.624 15.663 -33.860 1.00 72.04 C ATOM 1750 CD2 TRP B 549 30.619 16.599 -33.516 1.00 30.01 C ATOM 1751 NE1 TRP B 549 32.589 16.851 -34.551 1.00 44.41 N ATOM 1752 CE2 TRP B 549 31.370 17.443 -34.357 1.00 22.31 C ATOM 1753 CE3 TRP B 549 29.321 16.981 -33.163 1.00 22.22 C ATOM 1754 CZ2 TRP B 549 30.865 18.644 -34.846 1.00 14.33 C ATOM 1755 CZ3 TRP B 549 28.823 18.174 -33.650 1.00 41.43 C ATOM 1756 CH2 TRP B 549 29.593 18.994 -34.485 1.00 4.25 C ATOM 0 H TRP B 549 33.455 14.576 -31.797 1.00 35.00 H new ATOM 0 HA TRP B 549 31.111 15.313 -30.453 1.00 23.03 H new ATOM 0 HB2 TRP B 549 31.483 13.388 -32.783 1.00 1.00 H new ATOM 0 HB3 TRP B 549 29.986 14.186 -32.344 1.00 1.00 H new ATOM 0 HD1 TRP B 549 33.465 14.986 -33.834 1.00 72.04 H new ATOM 0 HE1 TRP B 549 33.348 17.230 -35.117 1.00 44.41 H new ATOM 0 HE3 TRP B 549 28.719 16.355 -32.521 1.00 22.22 H new ATOM 0 HZ2 TRP B 549 31.457 19.278 -35.489 1.00 14.33 H new ATOM 0 HZ3 TRP B 549 27.822 18.480 -33.382 1.00 41.43 H new ATOM 0 HH2 TRP B 549 29.174 19.920 -34.851 1.00 4.25 H new ATOM 1767 N VAL B 550 31.612 12.036 -30.516 1.00 65.43 N ATOM 1768 CA VAL B 550 31.286 10.792 -29.830 1.00 41.32 C ATOM 1769 C VAL B 550 31.581 10.893 -28.338 1.00 70.33 C ATOM 1770 O VAL B 550 30.701 10.678 -27.505 1.00 22.45 O ATOM 1771 CB VAL B 550 32.071 9.604 -30.418 1.00 23.22 C ATOM 1772 CG1 VAL B 550 31.687 8.310 -29.718 1.00 20.12 C ATOM 1773 CG2 VAL B 550 31.834 9.498 -31.918 1.00 22.45 C ATOM 0 H VAL B 550 32.219 11.923 -31.328 1.00 65.43 H new ATOM 0 HA VAL B 550 30.219 10.621 -29.976 1.00 41.32 H new ATOM 0 HB VAL B 550 33.134 9.777 -30.252 1.00 23.22 H new ATOM 0 HG11 VAL B 550 32.252 7.483 -30.147 1.00 20.12 H new ATOM 0 HG12 VAL B 550 31.913 8.391 -28.655 1.00 20.12 H new ATOM 0 HG13 VAL B 550 30.620 8.128 -29.849 1.00 20.12 H new ATOM 0 HG21 VAL B 550 32.396 8.653 -32.316 1.00 22.45 H new ATOM 0 HG22 VAL B 550 30.771 9.349 -32.109 1.00 22.45 H new ATOM 0 HG23 VAL B 550 32.165 10.416 -32.404 1.00 22.45 H new ATOM 1783 N ARG B 551 32.826 11.223 -28.008 1.00 22.31 N ATOM 1784 CA ARG B 551 33.238 11.352 -26.616 1.00 13.54 C ATOM 1785 C ARG B 551 32.207 12.144 -25.815 1.00 30.45 C ATOM 1786 O ARG B 551 31.869 11.780 -24.688 1.00 43.25 O ATOM 1787 CB ARG B 551 34.603 12.036 -26.526 1.00 20.34 C ATOM 1788 CG ARG B 551 35.379 11.686 -25.268 1.00 75.53 C ATOM 1789 CD ARG B 551 34.843 12.431 -24.056 1.00 51.12 C ATOM 1790 NE ARG B 551 35.867 12.624 -23.034 1.00 55.05 N ATOM 1791 CZ ARG B 551 36.828 13.538 -23.119 1.00 23.44 C ATOM 1792 NH1 ARG B 551 36.894 14.339 -24.173 1.00 74.33 N1+ ATOM 1793 NH2 ARG B 551 37.724 13.652 -22.147 1.00 20.42 N ATOM 0 H ARG B 551 33.566 11.406 -28.686 1.00 22.31 H new ATOM 0 HA ARG B 551 33.313 10.351 -26.192 1.00 13.54 H new ATOM 0 HB2 ARG B 551 35.197 11.759 -27.397 1.00 20.34 H new ATOM 0 HB3 ARG B 551 34.462 13.116 -26.567 1.00 20.34 H new ATOM 0 HG2 ARG B 551 35.321 10.612 -25.091 1.00 75.53 H new ATOM 0 HG3 ARG B 551 36.432 11.930 -25.409 1.00 75.53 H new ATOM 0 HD2 ARG B 551 34.456 13.401 -24.369 1.00 51.12 H new ATOM 0 HD3 ARG B 551 34.007 11.876 -23.631 1.00 51.12 H new ATOM 0 HE ARG B 551 35.844 12.024 -22.209 1.00 55.05 H new ATOM 0 HH11 ARG B 551 36.206 14.255 -24.921 1.00 74.33 H new ATOM 0 HH12 ARG B 551 37.633 15.040 -24.236 1.00 74.33 H new ATOM 0 HH21 ARG B 551 37.675 13.038 -21.334 1.00 20.42 H new ATOM 0 HH22 ARG B 551 38.461 14.354 -22.213 1.00 20.42 H new ATOM 1807 N VAL B 552 31.712 13.227 -26.405 1.00 73.21 N ATOM 1808 CA VAL B 552 30.721 14.070 -25.747 1.00 53.54 C ATOM 1809 C VAL B 552 29.388 13.342 -25.606 1.00 31.11 C ATOM 1810 O VAL B 552 28.713 13.455 -24.583 1.00 31.43 O ATOM 1811 CB VAL B 552 30.497 15.382 -26.522 1.00 22.20 C ATOM 1812 CG1 VAL B 552 29.364 16.183 -25.900 1.00 64.04 C ATOM 1813 CG2 VAL B 552 31.778 16.201 -26.564 1.00 14.55 C ATOM 0 H VAL B 552 31.981 13.541 -27.337 1.00 73.21 H new ATOM 0 HA VAL B 552 31.111 14.304 -24.756 1.00 53.54 H new ATOM 0 HB VAL B 552 30.216 15.135 -27.546 1.00 22.20 H new ATOM 0 HG11 VAL B 552 29.221 17.106 -26.461 1.00 64.04 H new ATOM 0 HG12 VAL B 552 28.446 15.596 -25.927 1.00 64.04 H new ATOM 0 HG13 VAL B 552 29.612 16.422 -24.866 1.00 64.04 H new ATOM 0 HG21 VAL B 552 31.601 17.125 -27.115 1.00 14.55 H new ATOM 0 HG22 VAL B 552 32.091 16.439 -25.547 1.00 14.55 H new ATOM 0 HG23 VAL B 552 32.561 15.627 -27.059 1.00 14.55 H new ATOM 1823 N TYR B 553 29.016 12.596 -26.640 1.00 3.04 N ATOM 1824 CA TYR B 553 27.763 11.850 -26.633 1.00 51.43 C ATOM 1825 C TYR B 553 27.727 10.857 -25.476 1.00 23.41 C ATOM 1826 O TYR B 553 26.730 10.756 -24.759 1.00 65.22 O ATOM 1827 CB TYR B 553 27.576 11.113 -27.959 1.00 50.50 C ATOM 1828 CG TYR B 553 27.222 9.652 -27.796 1.00 4.03 C ATOM 1829 CD1 TYR B 553 25.916 9.258 -27.532 1.00 41.54 C ATOM 1830 CD2 TYR B 553 28.195 8.665 -27.903 1.00 41.34 C ATOM 1831 CE1 TYR B 553 25.589 7.925 -27.382 1.00 21.35 C ATOM 1832 CE2 TYR B 553 27.877 7.329 -27.754 1.00 34.42 C ATOM 1833 CZ TYR B 553 26.573 6.964 -27.494 1.00 52.22 C ATOM 1834 OH TYR B 553 26.251 5.635 -27.344 1.00 2.33 O ATOM 0 H TYR B 553 29.564 12.492 -27.494 1.00 3.04 H new ATOM 0 HA TYR B 553 26.947 12.561 -26.503 1.00 51.43 H new ATOM 0 HB2 TYR B 553 26.791 11.607 -28.532 1.00 50.50 H new ATOM 0 HB3 TYR B 553 28.494 11.193 -28.542 1.00 50.50 H new ATOM 0 HD1 TYR B 553 25.143 10.007 -27.443 1.00 41.54 H new ATOM 0 HD2 TYR B 553 29.217 8.948 -28.106 1.00 41.34 H new ATOM 0 HE1 TYR B 553 24.569 7.636 -27.178 1.00 21.35 H new ATOM 0 HE2 TYR B 553 28.645 6.575 -27.841 1.00 34.42 H new ATOM 0 HH TYR B 553 27.057 5.089 -27.453 1.00 2.33 H new ATOM 1844 N LEU B 554 28.821 10.125 -25.299 1.00 55.44 N ATOM 1845 CA LEU B 554 28.917 9.138 -24.229 1.00 42.23 C ATOM 1846 C LEU B 554 29.221 9.811 -22.894 1.00 53.42 C ATOM 1847 O LEU B 554 28.855 9.303 -21.834 1.00 74.44 O ATOM 1848 CB LEU B 554 30.001 8.109 -24.553 1.00 44.44 C ATOM 1849 CG LEU B 554 31.356 8.674 -24.981 1.00 51.24 C ATOM 1850 CD1 LEU B 554 32.368 8.545 -23.853 1.00 24.32 C ATOM 1851 CD2 LEU B 554 31.857 7.968 -26.233 1.00 32.42 C ATOM 0 H LEU B 554 29.654 10.196 -25.883 1.00 55.44 H new ATOM 0 HA LEU B 554 27.956 8.630 -24.149 1.00 42.23 H new ATOM 0 HB2 LEU B 554 30.152 7.482 -23.675 1.00 44.44 H new ATOM 0 HB3 LEU B 554 29.633 7.461 -25.348 1.00 44.44 H new ATOM 0 HG LEU B 554 31.231 9.732 -25.210 1.00 51.24 H new ATOM 0 HD11 LEU B 554 33.326 8.952 -24.176 1.00 24.32 H new ATOM 0 HD12 LEU B 554 32.014 9.096 -22.982 1.00 24.32 H new ATOM 0 HD13 LEU B 554 32.490 7.494 -23.592 1.00 24.32 H new ATOM 0 HD21 LEU B 554 32.822 8.383 -26.523 1.00 32.42 H new ATOM 0 HD22 LEU B 554 31.966 6.902 -26.031 1.00 32.42 H new ATOM 0 HD23 LEU B 554 31.142 8.112 -27.043 1.00 32.42 H new ATOM 1863 N ASP B 555 29.893 10.955 -22.954 1.00 73.25 N ATOM 1864 CA ASP B 555 30.244 11.700 -21.750 1.00 31.31 C ATOM 1865 C ASP B 555 29.014 12.375 -21.151 1.00 23.23 C ATOM 1866 O ASP B 555 28.907 12.525 -19.934 1.00 34.14 O ATOM 1867 CB ASP B 555 31.314 12.746 -22.066 1.00 72.13 C ATOM 1868 CG ASP B 555 31.726 13.539 -20.841 1.00 53.31 C ATOM 1869 OD1 ASP B 555 32.406 12.966 -19.963 1.00 34.15 O ATOM 1870 OD2 ASP B 555 31.371 14.734 -20.760 1.00 21.01 O1- ATOM 0 H ASP B 555 30.206 11.387 -23.823 1.00 73.25 H new ATOM 0 HA ASP B 555 30.641 10.996 -21.019 1.00 31.31 H new ATOM 0 HB2 ASP B 555 32.189 12.251 -22.486 1.00 72.13 H new ATOM 0 HB3 ASP B 555 30.937 13.429 -22.828 1.00 72.13 H new ATOM 1875 N ARG B 556 28.090 12.783 -22.014 1.00 10.54 N ATOM 1876 CA ARG B 556 26.869 13.445 -21.570 1.00 54.44 C ATOM 1877 C ARG B 556 25.759 12.428 -21.320 1.00 72.41 C ATOM 1878 O ARG B 556 24.918 12.616 -20.442 1.00 3.24 O ATOM 1879 CB ARG B 556 26.411 14.468 -22.612 1.00 35.13 C ATOM 1880 CG ARG B 556 26.027 13.849 -23.946 1.00 22.30 C ATOM 1881 CD ARG B 556 24.532 13.582 -24.027 1.00 71.10 C ATOM 1882 NE ARG B 556 24.229 12.409 -24.842 1.00 44.32 N ATOM 1883 CZ ARG B 556 23.067 12.222 -25.456 1.00 73.04 C ATOM 1884 NH1 ARG B 556 22.102 13.126 -25.348 1.00 65.23 N1+ ATOM 1885 NH2 ARG B 556 22.866 11.127 -26.180 1.00 21.52 N ATOM 0 H ARG B 556 28.163 12.667 -23.025 1.00 10.54 H new ATOM 0 HA ARG B 556 27.085 13.960 -20.634 1.00 54.44 H new ATOM 0 HB2 ARG B 556 25.557 15.018 -22.217 1.00 35.13 H new ATOM 0 HB3 ARG B 556 27.210 15.192 -22.774 1.00 35.13 H new ATOM 0 HG2 ARG B 556 26.323 14.515 -24.756 1.00 22.30 H new ATOM 0 HG3 ARG B 556 26.572 12.916 -24.086 1.00 22.30 H new ATOM 0 HD2 ARG B 556 24.135 13.438 -23.022 1.00 71.10 H new ATOM 0 HD3 ARG B 556 24.030 14.454 -24.446 1.00 71.10 H new ATOM 0 HE ARG B 556 24.949 11.694 -24.945 1.00 44.32 H new ATOM 0 HH11 ARG B 556 22.252 13.968 -24.792 1.00 65.23 H new ATOM 0 HH12 ARG B 556 21.210 12.979 -25.821 1.00 65.23 H new ATOM 0 HH21 ARG B 556 23.605 10.429 -26.265 1.00 21.52 H new ATOM 0 HH22 ARG B 556 21.973 10.984 -26.651 1.00 21.52 H new ATOM 1899 N GLY B 557 25.764 11.349 -22.098 1.00 54.40 N ATOM 1900 CA GLY B 557 24.754 10.320 -21.945 1.00 51.20 C ATOM 1901 C GLY B 557 24.745 9.719 -20.554 1.00 73.35 C ATOM 1902 O GLY B 557 23.835 9.976 -19.766 1.00 64.24 O ATOM 0 H GLY B 557 26.450 11.170 -22.831 1.00 54.40 H new ATOM 0 HA2 GLY B 557 23.773 10.743 -22.161 1.00 51.20 H new ATOM 0 HA3 GLY B 557 24.929 9.532 -22.677 1.00 51.20 H new ATOM 1906 N GLN B 558 25.759 8.914 -20.252 1.00 30.44 N ATOM 1907 CA GLN B 558 25.863 8.272 -18.947 1.00 71.33 C ATOM 1908 C GLN B 558 27.263 8.439 -18.367 1.00 54.22 C ATOM 1909 O GLN B 558 27.433 8.983 -17.277 1.00 65.12 O ATOM 1910 CB GLN B 558 25.516 6.786 -19.056 1.00 32.20 C ATOM 1911 CG GLN B 558 25.756 6.207 -20.440 1.00 10.50 C ATOM 1912 CD GLN B 558 26.040 4.718 -20.408 1.00 44.43 C ATOM 1913 OE1 GLN B 558 26.999 4.244 -21.019 1.00 32.15 O ATOM 1914 NE2 GLN B 558 25.207 3.971 -19.692 1.00 2.10 N ATOM 0 H GLN B 558 26.520 8.691 -20.893 1.00 30.44 H new ATOM 0 HA GLN B 558 25.153 8.755 -18.276 1.00 71.33 H new ATOM 0 HB2 GLN B 558 26.108 6.229 -18.330 1.00 32.20 H new ATOM 0 HB3 GLN B 558 24.469 6.645 -18.789 1.00 32.20 H new ATOM 0 HG2 GLN B 558 24.882 6.393 -21.064 1.00 10.50 H new ATOM 0 HG3 GLN B 558 26.596 6.723 -20.905 1.00 10.50 H new ATOM 0 HE21 GLN B 558 24.425 4.406 -19.202 1.00 2.10 H new ATOM 0 HE22 GLN B 558 25.349 2.963 -19.632 1.00 2.10 H new ATOM 1923 N GLU B 559 28.264 7.967 -19.105 1.00 54.14 N ATOM 1924 CA GLU B 559 29.649 8.063 -18.663 1.00 64.14 C ATOM 1925 C GLU B 559 30.606 7.652 -19.778 1.00 45.44 C ATOM 1926 O GLU B 559 30.179 7.288 -20.873 1.00 54.24 O ATOM 1927 CB GLU B 559 29.877 7.184 -17.431 1.00 42.30 C ATOM 1928 CG GLU B 559 29.599 5.710 -17.676 1.00 15.30 C ATOM 1929 CD GLU B 559 29.129 4.990 -16.426 1.00 15.40 C ATOM 1930 OE1 GLU B 559 29.871 4.998 -15.422 1.00 24.20 O ATOM 1931 OE2 GLU B 559 28.018 4.420 -16.452 1.00 61.43 O1- ATOM 0 H GLU B 559 28.140 7.515 -20.011 1.00 54.14 H new ATOM 0 HA GLU B 559 29.848 9.102 -18.401 1.00 64.14 H new ATOM 0 HB2 GLU B 559 30.908 7.300 -17.098 1.00 42.30 H new ATOM 0 HB3 GLU B 559 29.239 7.536 -16.621 1.00 42.30 H new ATOM 0 HG2 GLU B 559 28.842 5.611 -18.454 1.00 15.30 H new ATOM 0 HG3 GLU B 559 30.504 5.230 -18.049 1.00 15.30 H new ATOM 1938 N ALA B 560 31.902 7.715 -19.491 1.00 3.04 N ATOM 1939 CA ALA B 560 32.920 7.348 -20.469 1.00 50.04 C ATOM 1940 C ALA B 560 32.831 5.868 -20.824 1.00 31.25 C ATOM 1941 O ALA B 560 32.326 5.061 -20.043 1.00 10.24 O ATOM 1942 CB ALA B 560 34.307 7.685 -19.939 1.00 41.05 C ATOM 0 H ALA B 560 32.272 8.017 -18.590 1.00 3.04 H new ATOM 0 HA ALA B 560 32.741 7.923 -21.377 1.00 50.04 H new ATOM 0 HB1 ALA B 560 35.057 7.406 -20.679 1.00 41.05 H new ATOM 0 HB2 ALA B 560 34.371 8.755 -19.743 1.00 41.05 H new ATOM 0 HB3 ALA B 560 34.487 7.135 -19.015 1.00 41.05 H new ATOM 1948 N ILE B 561 33.327 5.518 -22.007 1.00 73.03 N ATOM 1949 CA ILE B 561 33.304 4.135 -22.463 1.00 2.23 C ATOM 1950 C ILE B 561 34.446 3.858 -23.437 1.00 30.44 C ATOM 1951 O ILE B 561 34.665 4.614 -24.383 1.00 42.35 O ATOM 1952 CB ILE B 561 31.967 3.789 -23.146 1.00 62.24 C ATOM 1953 CG1 ILE B 561 31.598 4.867 -24.166 1.00 63.44 C ATOM 1954 CG2 ILE B 561 30.866 3.635 -22.107 1.00 51.43 C ATOM 1955 CD1 ILE B 561 30.421 4.492 -25.041 1.00 63.22 C ATOM 0 H ILE B 561 33.749 6.173 -22.665 1.00 73.03 H new ATOM 0 HA ILE B 561 33.423 3.509 -21.579 1.00 2.23 H new ATOM 0 HB ILE B 561 32.078 2.841 -23.672 1.00 62.24 H new ATOM 0 HG12 ILE B 561 31.368 5.792 -23.638 1.00 63.44 H new ATOM 0 HG13 ILE B 561 32.462 5.068 -24.799 1.00 63.44 H new ATOM 0 HG21 ILE B 561 29.928 3.391 -22.605 1.00 51.43 H new ATOM 0 HG22 ILE B 561 31.128 2.835 -21.415 1.00 51.43 H new ATOM 0 HG23 ILE B 561 30.752 4.569 -21.556 1.00 51.43 H new ATOM 0 HD11 ILE B 561 30.215 5.302 -25.740 1.00 63.22 H new ATOM 0 HD12 ILE B 561 30.655 3.584 -25.596 1.00 63.22 H new ATOM 0 HD13 ILE B 561 29.544 4.320 -24.417 1.00 63.22 H new ATOM 1967 N LYS B 562 35.168 2.769 -23.200 1.00 34.53 N ATOM 1968 CA LYS B 562 36.285 2.389 -24.056 1.00 5.33 C ATOM 1969 C LYS B 562 35.894 1.244 -24.985 1.00 3.44 C ATOM 1970 O LYS B 562 36.464 1.085 -26.065 1.00 74.43 O ATOM 1971 CB LYS B 562 37.490 1.981 -23.206 1.00 55.54 C ATOM 1972 CG LYS B 562 38.401 3.142 -22.846 1.00 23.25 C ATOM 1973 CD LYS B 562 39.239 3.583 -24.035 1.00 61.12 C ATOM 1974 CE LYS B 562 40.126 4.767 -23.682 1.00 62.12 C ATOM 1975 NZ LYS B 562 41.392 4.335 -23.027 1.00 35.51 N1+ ATOM 0 H LYS B 562 34.999 2.133 -22.421 1.00 34.53 H new ATOM 0 HA LYS B 562 36.553 3.252 -24.665 1.00 5.33 H new ATOM 0 HB2 LYS B 562 37.135 1.511 -22.289 1.00 55.54 H new ATOM 0 HB3 LYS B 562 38.068 1.231 -23.746 1.00 55.54 H new ATOM 0 HG2 LYS B 562 37.801 3.980 -22.492 1.00 23.25 H new ATOM 0 HG3 LYS B 562 39.057 2.850 -22.026 1.00 23.25 H new ATOM 0 HD2 LYS B 562 39.857 2.752 -24.374 1.00 61.12 H new ATOM 0 HD3 LYS B 562 38.584 3.852 -24.864 1.00 61.12 H new ATOM 0 HE2 LYS B 562 40.358 5.329 -24.586 1.00 62.12 H new ATOM 0 HE3 LYS B 562 39.585 5.441 -23.018 1.00 62.12 H new ATOM 0 HZ1 LYS B 562 41.969 5.170 -22.802 1.00 35.51 H new ATOM 0 HZ2 LYS B 562 41.171 3.820 -22.151 1.00 35.51 H new ATOM 0 HZ3 LYS B 562 41.921 3.712 -23.670 1.00 35.51 H new TER 1989 LYS B 562