USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 180:sc= 0.34 USER MOD Set 1.2: A 39 ASN : amide:sc= -10.8! C(o=-10!,f=-9!) USER MOD Set 1.3: A 43 THR OG1 : rot -54:sc= 0.394 USER MOD Single : A 1 LYS N :NH3+ -130:sc= 0.049 (180deg=-0.322) USER MOD Single : A 1 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.000633) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 5 GLN : amide:sc= -2.58! C(o=-2.6!,f=-4.3!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-4.3!) USER MOD Single : A 12 GLN : amide:sc= -0.513 K(o=-0.51,f=0) USER MOD Single : A 15 MET CE :methyl -144:sc= -0.419 (180deg=-1.84!) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.0784 (180deg=-0.783) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00639 K(o=-0.0064,f=-1.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= -0.718 (180deg=-1.83) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 152:sc= -0.262 (180deg=-1.47!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -49:sc= 1.27 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.495 18.573 -1.567 1.00 0.00 N ATOM 2 CA LYS A 1 -8.690 17.362 -1.894 1.00 0.00 C ATOM 3 C LYS A 1 -9.250 16.158 -1.132 1.00 0.00 C ATOM 4 O LYS A 1 -10.038 16.301 -0.218 1.00 0.00 O ATOM 5 CB LYS A 1 -7.234 17.590 -1.484 1.00 0.00 C ATOM 6 CG LYS A 1 -6.633 18.710 -2.336 1.00 0.00 C ATOM 7 CD LYS A 1 -5.145 18.854 -2.012 1.00 0.00 C ATOM 8 CE LYS A 1 -4.569 20.046 -2.779 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.883 21.306 -2.048 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.778 19.050 -2.447 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.345 18.292 -1.037 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.925 19.223 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 1 -8.740 17.171 -2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.180 17.853 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.661 16.672 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.766 18.487 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.151 19.649 -2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.007 18.997 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.613 17.942 -2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.490 19.935 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.988 20.082 -3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.023 22.078 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.751 21.176 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.095 21.545 -1.413 1.00 0.00 H new ATOM 10 N ASN A 2 -8.848 14.972 -1.501 1.00 0.00 N ATOM 11 CA ASN A 2 -9.356 13.761 -0.798 1.00 0.00 C ATOM 12 C ASN A 2 -10.883 13.724 -0.878 1.00 0.00 C ATOM 13 O ASN A 2 -11.561 13.511 0.108 1.00 0.00 O ATOM 14 CB ASN A 2 -8.924 13.806 0.670 1.00 0.00 C ATOM 15 CG ASN A 2 -7.395 13.787 0.752 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.729 13.412 -0.192 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.809 14.179 1.851 1.00 0.00 N ATOM 0 H ASN A 2 -8.190 14.790 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.947 12.869 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.313 14.705 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.339 12.954 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.791 14.170 1.917 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.369 14.494 2.643 1.00 0.00 H new ATOM 18 N GLU A 3 -11.430 13.930 -2.044 1.00 0.00 N ATOM 19 CA GLU A 3 -12.914 13.907 -2.185 1.00 0.00 C ATOM 20 C GLU A 3 -13.432 12.498 -1.888 1.00 0.00 C ATOM 21 O GLU A 3 -14.478 12.324 -1.297 1.00 0.00 O ATOM 22 CB GLU A 3 -13.297 14.301 -3.613 1.00 0.00 C ATOM 23 CG GLU A 3 -12.909 15.760 -3.860 1.00 0.00 C ATOM 24 CD GLU A 3 -13.384 16.185 -5.252 1.00 0.00 C ATOM 25 OE1 GLU A 3 -13.843 15.327 -5.986 1.00 0.00 O ATOM 26 OE2 GLU A 3 -13.280 17.361 -5.557 1.00 0.00 O ATOM 0 H GLU A 3 -10.915 14.113 -2.905 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.357 14.613 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.791 13.653 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.368 14.168 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.357 16.400 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.828 15.879 -3.781 1.00 0.00 H new ATOM 27 N ASP A 4 -12.709 11.490 -2.295 1.00 0.00 N ATOM 28 CA ASP A 4 -13.164 10.095 -2.034 1.00 0.00 C ATOM 29 C ASP A 4 -13.419 9.915 -0.536 1.00 0.00 C ATOM 30 O ASP A 4 -14.318 9.205 -0.130 1.00 0.00 O ATOM 31 CB ASP A 4 -12.085 9.112 -2.494 1.00 0.00 C ATOM 32 CG ASP A 4 -11.600 9.506 -3.891 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.360 10.145 -4.602 1.00 0.00 O ATOM 34 OD2 ASP A 4 -10.479 9.162 -4.226 1.00 0.00 O ATOM 0 H ASP A 4 -11.824 11.572 -2.796 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.085 9.903 -2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.251 9.117 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.484 8.098 -2.508 1.00 0.00 H new ATOM 35 N GLN A 5 -12.635 10.554 0.289 1.00 0.00 N ATOM 36 CA GLN A 5 -12.832 10.423 1.760 1.00 0.00 C ATOM 37 C GLN A 5 -14.235 10.909 2.132 1.00 0.00 C ATOM 38 O GLN A 5 -14.912 10.314 2.946 1.00 0.00 O ATOM 39 CB GLN A 5 -11.789 11.270 2.492 1.00 0.00 C ATOM 40 CG GLN A 5 -10.401 10.659 2.285 1.00 0.00 C ATOM 41 CD GLN A 5 -9.361 11.485 3.044 1.00 0.00 C ATOM 42 OE1 GLN A 5 -9.632 12.596 3.453 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.173 10.986 3.250 1.00 0.00 N ATOM 0 H GLN A 5 -11.866 11.162 0.007 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.720 9.378 2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.807 12.293 2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.023 11.316 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.390 9.628 2.638 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.157 10.635 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.945 10.053 2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.472 11.529 3.754 1.00 0.00 H new ATOM 44 N GLU A 6 -14.679 11.986 1.543 1.00 0.00 N ATOM 45 CA GLU A 6 -16.039 12.502 1.865 1.00 0.00 C ATOM 46 C GLU A 6 -17.073 11.409 1.588 1.00 0.00 C ATOM 47 O GLU A 6 -18.004 11.215 2.343 1.00 0.00 O ATOM 48 CB GLU A 6 -16.344 13.726 0.998 1.00 0.00 C ATOM 49 CG GLU A 6 -15.380 14.859 1.354 1.00 0.00 C ATOM 50 CD GLU A 6 -15.727 16.103 0.532 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.553 15.989 -0.358 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.160 17.148 0.807 1.00 0.00 O ATOM 0 H GLU A 6 -14.159 12.530 0.854 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.080 12.787 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.247 13.470 -0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.374 14.048 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.444 15.084 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.353 14.553 1.154 1.00 0.00 H new ATOM 53 N MET A 7 -16.915 10.693 0.509 1.00 0.00 N ATOM 54 CA MET A 7 -17.886 9.612 0.181 1.00 0.00 C ATOM 55 C MET A 7 -17.942 8.608 1.336 1.00 0.00 C ATOM 56 O MET A 7 -18.911 7.895 1.503 1.00 0.00 O ATOM 57 CB MET A 7 -17.439 8.899 -1.097 1.00 0.00 C ATOM 58 CG MET A 7 -17.655 9.823 -2.297 1.00 0.00 C ATOM 59 SD MET A 7 -17.075 9.006 -3.805 1.00 0.00 S ATOM 60 CE MET A 7 -17.088 10.466 -4.874 1.00 0.00 C ATOM 0 H MET A 7 -16.154 10.810 -0.160 1.00 0.00 H new ATOM 0 HA MET A 7 -18.875 10.044 0.029 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.388 8.621 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.004 7.976 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.712 10.073 -2.390 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.117 10.760 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.758 10.187 -5.875 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.099 10.871 -4.925 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.415 11.221 -4.467 1.00 0.00 H new ATOM 61 N CYS A 8 -16.912 8.549 2.136 1.00 0.00 N ATOM 62 CA CYS A 8 -16.911 7.592 3.279 1.00 0.00 C ATOM 63 C CYS A 8 -18.011 7.980 4.267 1.00 0.00 C ATOM 64 O CYS A 8 -18.663 7.137 4.851 1.00 0.00 O ATOM 65 CB CYS A 8 -15.553 7.637 3.987 1.00 0.00 C ATOM 66 SG CYS A 8 -14.274 6.878 2.946 1.00 0.00 S ATOM 0 H CYS A 8 -16.072 9.121 2.048 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.092 6.584 2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.285 8.670 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.615 7.112 4.940 1.00 0.00 H new ATOM 67 N HIS A 9 -18.224 9.253 4.460 1.00 0.00 N ATOM 68 CA HIS A 9 -19.282 9.698 5.407 1.00 0.00 C ATOM 69 C HIS A 9 -20.638 9.155 4.947 1.00 0.00 C ATOM 70 O HIS A 9 -21.320 8.462 5.676 1.00 0.00 O ATOM 71 CB HIS A 9 -19.324 11.229 5.440 1.00 0.00 C ATOM 72 CG HIS A 9 -20.570 11.684 6.149 1.00 0.00 C ATOM 73 ND1 HIS A 9 -21.827 11.579 5.575 1.00 0.00 N ATOM 74 CD2 HIS A 9 -20.768 12.249 7.385 1.00 0.00 C ATOM 75 CE1 HIS A 9 -22.717 12.069 6.457 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.125 12.490 7.577 1.00 0.00 N ATOM 0 H HIS A 9 -17.709 10.005 4.001 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.062 9.321 6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.442 11.616 5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.306 11.625 4.425 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.989 12.472 8.099 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.781 12.116 6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.571 12.900 8.397 1.00 0.00 H new ATOM 77 N GLU A 10 -21.034 9.468 3.744 1.00 0.00 N ATOM 78 CA GLU A 10 -22.345 8.972 3.239 1.00 0.00 C ATOM 79 C GLU A 10 -22.394 7.444 3.336 1.00 0.00 C ATOM 80 O GLU A 10 -23.336 6.877 3.851 1.00 0.00 O ATOM 81 CB GLU A 10 -22.522 9.396 1.778 1.00 0.00 C ATOM 82 CG GLU A 10 -22.610 10.923 1.697 1.00 0.00 C ATOM 83 CD GLU A 10 -23.759 11.418 2.577 1.00 0.00 C ATOM 84 OE1 GLU A 10 -24.610 10.611 2.916 1.00 0.00 O ATOM 85 OE2 GLU A 10 -23.769 12.594 2.898 1.00 0.00 O ATOM 0 H GLU A 10 -20.507 10.046 3.089 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.147 9.397 3.843 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -21.684 9.037 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.425 8.946 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.671 11.369 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.769 11.234 0.665 1.00 0.00 H new ATOM 86 N PHE A 11 -21.387 6.773 2.844 1.00 0.00 N ATOM 87 CA PHE A 11 -21.382 5.283 2.911 1.00 0.00 C ATOM 88 C PHE A 11 -21.252 4.837 4.368 1.00 0.00 C ATOM 89 O PHE A 11 -21.411 3.676 4.689 1.00 0.00 O ATOM 90 CB PHE A 11 -20.200 4.738 2.103 1.00 0.00 C ATOM 91 CG PHE A 11 -20.699 4.103 0.823 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.892 4.546 0.238 1.00 0.00 C ATOM 93 CD2 PHE A 11 -19.963 3.075 0.218 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.350 3.958 -0.949 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.421 2.490 -0.966 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.614 2.931 -1.550 1.00 0.00 C ATOM 0 H PHE A 11 -20.570 7.191 2.400 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.314 4.899 2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.504 5.544 1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.652 4.004 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.459 5.340 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.042 2.735 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.271 4.298 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.854 1.697 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.967 2.478 -2.465 1.00 0.00 H new ATOM 97 N GLN A 12 -20.967 5.751 5.256 1.00 0.00 N ATOM 98 CA GLN A 12 -20.828 5.378 6.692 1.00 0.00 C ATOM 99 C GLN A 12 -22.198 4.988 7.253 1.00 0.00 C ATOM 100 O GLN A 12 -22.314 4.094 8.068 1.00 0.00 O ATOM 101 CB GLN A 12 -20.277 6.570 7.476 1.00 0.00 C ATOM 102 CG GLN A 12 -19.922 6.130 8.898 1.00 0.00 C ATOM 103 CD GLN A 12 -19.765 7.364 9.788 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.053 7.318 10.967 1.00 0.00 O ATOM 105 NE2 GLN A 12 -19.315 8.474 9.269 1.00 0.00 N ATOM 0 H GLN A 12 -20.825 6.739 5.049 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.144 4.534 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -19.394 6.969 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.016 7.371 7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -20.701 5.479 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.997 5.553 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -19.073 8.513 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.205 9.303 9.854 1.00 0.00 H new ATOM 106 N ALA A 13 -23.239 5.649 6.822 1.00 0.00 N ATOM 107 CA ALA A 13 -24.597 5.310 7.331 1.00 0.00 C ATOM 108 C ALA A 13 -25.019 3.949 6.777 1.00 0.00 C ATOM 109 O ALA A 13 -25.768 3.219 7.396 1.00 0.00 O ATOM 110 CB ALA A 13 -25.594 6.379 6.878 1.00 0.00 C ATOM 0 H ALA A 13 -23.207 6.407 6.141 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.580 5.271 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.588 6.131 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.291 7.349 7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.614 6.419 5.789 1.00 0.00 H new ATOM 111 N PHE A 14 -24.544 3.600 5.613 1.00 0.00 N ATOM 112 CA PHE A 14 -24.916 2.285 5.020 1.00 0.00 C ATOM 113 C PHE A 14 -23.943 1.211 5.512 1.00 0.00 C ATOM 114 O PHE A 14 -24.014 0.066 5.110 1.00 0.00 O ATOM 115 CB PHE A 14 -24.846 2.377 3.495 1.00 0.00 C ATOM 116 CG PHE A 14 -25.861 3.382 3.006 1.00 0.00 C ATOM 117 CD1 PHE A 14 -27.199 3.002 2.839 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.466 4.694 2.718 1.00 0.00 C ATOM 119 CE1 PHE A 14 -28.141 3.933 2.385 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.408 5.625 2.264 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.745 5.245 2.098 1.00 0.00 C ATOM 0 H PHE A 14 -23.914 4.169 5.047 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.930 2.022 5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.845 2.674 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -25.042 1.401 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.504 1.990 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.435 4.988 2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -29.172 3.639 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -26.103 6.637 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.471 5.964 1.748 1.00 0.00 H new ATOM 122 N MET A 15 -23.035 1.568 6.381 1.00 0.00 N ATOM 123 CA MET A 15 -22.062 0.565 6.896 1.00 0.00 C ATOM 124 C MET A 15 -22.662 -0.150 8.109 1.00 0.00 C ATOM 125 O MET A 15 -23.273 0.463 8.962 1.00 0.00 O ATOM 126 CB MET A 15 -20.771 1.273 7.308 1.00 0.00 C ATOM 127 CG MET A 15 -19.639 0.248 7.393 1.00 0.00 C ATOM 128 SD MET A 15 -19.731 -0.619 8.979 1.00 0.00 S ATOM 129 CE MET A 15 -19.329 0.796 10.033 1.00 0.00 C ATOM 0 H MET A 15 -22.926 2.511 6.755 1.00 0.00 H new ATOM 0 HA MET A 15 -21.843 -0.164 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.521 2.049 6.584 1.00 0.00 H new ATOM 0 HB3 MET A 15 -20.904 1.766 8.271 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.716 -0.464 6.572 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.674 0.746 7.294 1.00 0.00 H new ATOM 0 HE1 MET A 15 -18.727 0.461 10.878 1.00 0.00 H new ATOM 0 HE2 MET A 15 -18.768 1.531 9.456 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.250 1.249 10.401 1.00 0.00 H new ATOM 130 N LYS A 16 -22.493 -1.441 8.193 1.00 0.00 N ATOM 131 CA LYS A 16 -23.057 -2.192 9.352 1.00 0.00 C ATOM 132 C LYS A 16 -22.104 -3.321 9.744 1.00 0.00 C ATOM 133 O LYS A 16 -21.461 -3.923 8.906 1.00 0.00 O ATOM 134 CB LYS A 16 -24.411 -2.785 8.966 1.00 0.00 C ATOM 135 CG LYS A 16 -25.399 -1.656 8.667 1.00 0.00 C ATOM 136 CD LYS A 16 -26.812 -2.235 8.557 1.00 0.00 C ATOM 137 CE LYS A 16 -27.776 -1.144 8.090 1.00 0.00 C ATOM 138 NZ LYS A 16 -27.563 0.088 8.901 1.00 0.00 N ATOM 0 H LYS A 16 -21.990 -2.008 7.511 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.183 -1.512 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.302 -3.428 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -24.790 -3.409 9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.362 -0.906 9.457 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.126 -1.155 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -26.821 -3.068 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.131 -2.628 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.615 -0.929 7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.806 -1.486 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -28.439 0.648 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -27.301 -0.177 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -26.799 0.654 8.479 1.00 0.00 H new ATOM 139 N ASN A 17 -22.007 -3.617 11.012 1.00 0.00 N ATOM 140 CA ASN A 17 -21.096 -4.710 11.455 1.00 0.00 C ATOM 141 C ASN A 17 -19.749 -4.569 10.744 1.00 0.00 C ATOM 142 O ASN A 17 -19.025 -5.530 10.569 1.00 0.00 O ATOM 143 CB ASN A 17 -21.720 -6.062 11.105 1.00 0.00 C ATOM 144 CG ASN A 17 -23.022 -6.240 11.890 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.233 -5.588 12.893 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.909 -7.102 11.474 1.00 0.00 N ATOM 0 H ASN A 17 -22.519 -3.149 11.760 1.00 0.00 H new ATOM 0 HA ASN A 17 -20.945 -4.647 12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -21.918 -6.117 10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.026 -6.868 11.343 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -24.779 -7.228 11.991 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -23.732 -7.650 10.632 1.00 0.00 H new ATOM 147 N GLY A 18 -19.409 -3.380 10.327 1.00 0.00 N ATOM 148 CA GLY A 18 -18.111 -3.181 9.622 1.00 0.00 C ATOM 149 C GLY A 18 -18.261 -3.627 8.168 1.00 0.00 C ATOM 150 O GLY A 18 -17.324 -4.091 7.550 1.00 0.00 O ATOM 0 H GLY A 18 -19.973 -2.538 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.816 -2.133 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.324 -3.754 10.112 1.00 0.00 H new ATOM 151 N LYS A 19 -19.437 -3.496 7.622 1.00 0.00 N ATOM 152 CA LYS A 19 -19.657 -3.917 6.210 1.00 0.00 C ATOM 153 C LYS A 19 -20.596 -2.925 5.522 1.00 0.00 C ATOM 154 O LYS A 19 -21.594 -2.513 6.079 1.00 0.00 O ATOM 155 CB LYS A 19 -20.293 -5.308 6.194 1.00 0.00 C ATOM 156 CG LYS A 19 -20.088 -5.950 4.820 1.00 0.00 C ATOM 157 CD LYS A 19 -21.434 -6.435 4.277 1.00 0.00 C ATOM 158 CE LYS A 19 -21.195 -7.434 3.144 1.00 0.00 C ATOM 159 NZ LYS A 19 -22.499 -7.996 2.692 1.00 0.00 N ATOM 0 H LYS A 19 -20.257 -3.115 8.093 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.703 -3.941 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.847 -5.932 6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.357 -5.235 6.417 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.645 -5.229 4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.393 -6.786 4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.012 -6.903 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -22.018 -5.589 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.691 -6.942 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.540 -8.236 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.336 -8.675 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.963 -8.479 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -23.109 -7.226 2.351 1.00 0.00 H new ATOM 160 N LEU A 20 -20.293 -2.543 4.311 1.00 0.00 N ATOM 161 CA LEU A 20 -21.179 -1.586 3.593 1.00 0.00 C ATOM 162 C LEU A 20 -22.370 -2.343 3.024 1.00 0.00 C ATOM 163 O LEU A 20 -22.256 -3.484 2.623 1.00 0.00 O ATOM 164 CB LEU A 20 -20.413 -0.934 2.441 1.00 0.00 C ATOM 165 CG LEU A 20 -19.441 0.097 2.999 1.00 0.00 C ATOM 166 CD1 LEU A 20 -18.094 -0.037 2.287 1.00 0.00 C ATOM 167 CD2 LEU A 20 -19.995 1.507 2.779 1.00 0.00 C ATOM 0 H LEU A 20 -19.472 -2.852 3.790 1.00 0.00 H new ATOM 0 HA LEU A 20 -21.516 -0.817 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -19.871 -1.692 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -21.109 -0.458 1.751 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.310 -0.074 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.397 0.700 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -17.695 -1.038 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.229 0.131 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.295 2.240 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -20.131 1.682 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -20.954 1.605 3.288 1.00 0.00 H new ATOM 168 N PHE A 21 -23.510 -1.720 2.966 1.00 0.00 N ATOM 169 CA PHE A 21 -24.692 -2.417 2.400 1.00 0.00 C ATOM 170 C PHE A 21 -24.795 -2.074 0.921 1.00 0.00 C ATOM 171 O PHE A 21 -25.868 -1.980 0.359 1.00 0.00 O ATOM 172 CB PHE A 21 -25.961 -1.976 3.131 1.00 0.00 C ATOM 173 CG PHE A 21 -26.273 -2.961 4.233 1.00 0.00 C ATOM 174 CD1 PHE A 21 -25.239 -3.478 5.023 1.00 0.00 C ATOM 175 CD2 PHE A 21 -27.596 -3.359 4.464 1.00 0.00 C ATOM 176 CE1 PHE A 21 -25.527 -4.391 6.045 1.00 0.00 C ATOM 177 CE2 PHE A 21 -27.884 -4.273 5.485 1.00 0.00 C ATOM 178 CZ PHE A 21 -26.850 -4.788 6.275 1.00 0.00 C ATOM 0 H PHE A 21 -23.674 -0.765 3.284 1.00 0.00 H new ATOM 0 HA PHE A 21 -24.581 -3.494 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -25.826 -0.978 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -26.795 -1.919 2.432 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -24.219 -3.172 4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -28.394 -2.961 3.855 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -24.730 -4.789 6.655 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -28.904 -4.580 5.663 1.00 0.00 H new ATOM 0 HZ PHE A 21 -27.073 -5.492 7.063 1.00 0.00 H new ATOM 179 N CYS A 22 -23.674 -1.889 0.291 1.00 0.00 N ATOM 180 CA CYS A 22 -23.675 -1.553 -1.162 1.00 0.00 C ATOM 181 C CYS A 22 -24.704 -2.423 -1.887 1.00 0.00 C ATOM 182 O CYS A 22 -24.741 -3.627 -1.719 1.00 0.00 O ATOM 183 CB CYS A 22 -22.289 -1.815 -1.748 1.00 0.00 C ATOM 184 SG CYS A 22 -21.344 -0.273 -1.766 1.00 0.00 S ATOM 0 H CYS A 22 -22.750 -1.956 0.719 1.00 0.00 H new ATOM 0 HA CYS A 22 -23.932 -0.501 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.768 -2.567 -1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -22.379 -2.212 -2.759 1.00 0.00 H new ATOM 185 N PRO A 23 -25.556 -1.797 -2.714 1.00 0.00 N ATOM 186 CA PRO A 23 -26.591 -2.510 -3.473 1.00 0.00 C ATOM 187 C PRO A 23 -25.986 -3.362 -4.593 1.00 0.00 C ATOM 188 O PRO A 23 -24.993 -3.001 -5.193 1.00 0.00 O ATOM 189 CB PRO A 23 -27.434 -1.385 -4.072 1.00 0.00 C ATOM 190 CG PRO A 23 -26.510 -0.217 -4.142 1.00 0.00 C ATOM 191 CD PRO A 23 -25.577 -0.347 -2.971 1.00 0.00 C ATOM 0 HA PRO A 23 -27.158 -3.198 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.809 -1.654 -5.060 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -28.302 -1.167 -3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.957 -0.214 -5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.064 0.721 -4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.583 0.035 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.937 0.210 -2.106 1.00 0.00 H new ATOM 192 N GLN A 24 -26.576 -4.491 -4.879 1.00 0.00 N ATOM 193 CA GLN A 24 -26.034 -5.364 -5.959 1.00 0.00 C ATOM 194 C GLN A 24 -26.135 -4.638 -7.301 1.00 0.00 C ATOM 195 O GLN A 24 -25.351 -4.864 -8.200 1.00 0.00 O ATOM 196 CB GLN A 24 -26.841 -6.662 -6.020 1.00 0.00 C ATOM 197 CG GLN A 24 -26.634 -7.454 -4.727 1.00 0.00 C ATOM 198 CD GLN A 24 -27.514 -8.705 -4.751 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.446 -8.792 -5.524 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.256 -9.684 -3.927 1.00 0.00 N ATOM 0 H GLN A 24 -27.410 -4.846 -4.411 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.990 -5.595 -5.748 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.899 -6.439 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -26.528 -7.257 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -25.586 -7.735 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.885 -6.836 -3.865 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.473 -9.611 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -27.837 -10.522 -3.933 1.00 0.00 H new ATOM 201 N ASP A 25 -27.096 -3.767 -7.442 1.00 0.00 N ATOM 202 CA ASP A 25 -27.247 -3.026 -8.726 1.00 0.00 C ATOM 203 C ASP A 25 -26.020 -2.141 -8.952 1.00 0.00 C ATOM 204 O ASP A 25 -25.428 -1.634 -8.021 1.00 0.00 O ATOM 205 CB ASP A 25 -28.503 -2.154 -8.667 1.00 0.00 C ATOM 206 CG ASP A 25 -29.742 -3.048 -8.598 1.00 0.00 C ATOM 207 OD1 ASP A 25 -29.608 -4.234 -8.854 1.00 0.00 O ATOM 208 OD2 ASP A 25 -30.804 -2.533 -8.290 1.00 0.00 O ATOM 0 H ASP A 25 -27.783 -3.536 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 25 -27.337 -3.737 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -28.464 -1.500 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -28.554 -1.511 -9.546 1.00 0.00 H new ATOM 209 N LYS A 26 -25.634 -1.951 -10.184 1.00 0.00 N ATOM 210 CA LYS A 26 -24.445 -1.099 -10.470 1.00 0.00 C ATOM 211 C LYS A 26 -24.814 0.373 -10.280 1.00 0.00 C ATOM 212 O LYS A 26 -25.871 0.815 -10.685 1.00 0.00 O ATOM 213 CB LYS A 26 -23.989 -1.328 -11.911 1.00 0.00 C ATOM 214 CG LYS A 26 -22.670 -0.592 -12.152 1.00 0.00 C ATOM 215 CD LYS A 26 -22.258 -0.749 -13.618 1.00 0.00 C ATOM 216 CE LYS A 26 -20.874 -0.132 -13.827 1.00 0.00 C ATOM 217 NZ LYS A 26 -20.134 -0.910 -14.860 1.00 0.00 N ATOM 0 H LYS A 26 -26.090 -2.349 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 26 -23.637 -1.362 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.862 -2.394 -12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.749 -0.971 -12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.780 0.464 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -21.894 -0.992 -11.500 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.243 -1.804 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.987 -0.262 -14.266 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -20.971 0.908 -14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.319 -0.132 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.193 -0.491 -15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.030 -1.895 -14.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.662 -0.888 -15.756 1.00 0.00 H new ATOM 218 N LYS A 27 -23.952 1.137 -9.668 1.00 0.00 N ATOM 219 CA LYS A 27 -24.252 2.581 -9.455 1.00 0.00 C ATOM 220 C LYS A 27 -23.220 3.430 -10.201 1.00 0.00 C ATOM 221 O LYS A 27 -22.198 2.938 -10.637 1.00 0.00 O ATOM 222 CB LYS A 27 -24.195 2.899 -7.960 1.00 0.00 C ATOM 223 CG LYS A 27 -25.618 3.019 -7.410 1.00 0.00 C ATOM 224 CD LYS A 27 -25.571 3.103 -5.883 1.00 0.00 C ATOM 225 CE LYS A 27 -25.889 4.533 -5.440 1.00 0.00 C ATOM 226 NZ LYS A 27 -24.627 5.233 -5.070 1.00 0.00 N ATOM 0 H LYS A 27 -23.052 0.823 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 27 -25.249 2.806 -9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -23.654 2.115 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -23.650 3.829 -7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -26.103 3.905 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -26.212 2.159 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -26.289 2.408 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.585 2.810 -5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -26.393 5.070 -6.244 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -26.571 4.518 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -24.844 6.205 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.164 4.724 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -23.991 5.259 -5.892 1.00 0.00 H new ATOM 227 N PRO A 28 -23.500 4.733 -10.350 1.00 0.00 N ATOM 228 CA PRO A 28 -22.601 5.663 -11.046 1.00 0.00 C ATOM 229 C PRO A 28 -21.325 5.929 -10.243 1.00 0.00 C ATOM 230 O PRO A 28 -21.058 7.043 -9.837 1.00 0.00 O ATOM 231 CB PRO A 28 -23.426 6.945 -11.152 1.00 0.00 C ATOM 232 CG PRO A 28 -24.399 6.859 -10.025 1.00 0.00 C ATOM 233 CD PRO A 28 -24.715 5.400 -9.851 1.00 0.00 C ATOM 0 HA PRO A 28 -22.271 5.270 -12.008 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -22.796 7.830 -11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -23.937 7.010 -12.113 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.974 7.276 -9.112 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -25.302 7.429 -10.246 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.912 5.152 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.598 5.108 -10.420 1.00 0.00 H new ATOM 234 N ILE A 29 -20.535 4.917 -10.012 1.00 0.00 N ATOM 235 CA ILE A 29 -19.277 5.117 -9.236 1.00 0.00 C ATOM 236 C ILE A 29 -18.087 4.611 -10.053 1.00 0.00 C ATOM 237 O ILE A 29 -18.241 3.890 -11.019 1.00 0.00 O ATOM 238 CB ILE A 29 -19.346 4.347 -7.911 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.295 3.154 -8.050 1.00 0.00 C ATOM 240 CG2 ILE A 29 -19.847 5.276 -6.803 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.636 2.076 -8.913 1.00 0.00 C ATOM 0 H ILE A 29 -20.705 3.962 -10.326 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.156 6.180 -9.026 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.350 3.983 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.536 2.751 -7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.234 3.473 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -19.895 4.727 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.163 6.118 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.840 5.645 -7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -20.311 1.226 -9.012 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.418 2.483 -9.900 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.709 1.749 -8.442 1.00 0.00 H new ATOM 242 N GLN A 30 -16.900 4.979 -9.663 1.00 0.00 N ATOM 243 CA GLN A 30 -15.690 4.522 -10.399 1.00 0.00 C ATOM 244 C GLN A 30 -14.572 4.271 -9.391 1.00 0.00 C ATOM 245 O GLN A 30 -14.227 5.135 -8.610 1.00 0.00 O ATOM 246 CB GLN A 30 -15.257 5.600 -11.394 1.00 0.00 C ATOM 247 CG GLN A 30 -14.163 5.041 -12.306 1.00 0.00 C ATOM 248 CD GLN A 30 -13.795 6.089 -13.359 1.00 0.00 C ATOM 249 OE1 GLN A 30 -14.449 7.107 -13.474 1.00 0.00 O ATOM 250 NE2 GLN A 30 -12.769 5.881 -14.139 1.00 0.00 N ATOM 0 H GLN A 30 -16.715 5.581 -8.861 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.909 3.605 -10.945 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.111 5.925 -11.989 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.888 6.476 -10.860 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -13.284 4.776 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.509 4.128 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.220 5.027 -14.043 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.516 6.573 -14.845 1.00 0.00 H new ATOM 251 N SER A 31 -14.006 3.095 -9.394 1.00 0.00 N ATOM 252 CA SER A 31 -12.925 2.789 -8.419 1.00 0.00 C ATOM 253 C SER A 31 -11.604 3.383 -8.903 1.00 0.00 C ATOM 254 O SER A 31 -11.286 3.361 -10.075 1.00 0.00 O ATOM 255 CB SER A 31 -12.786 1.272 -8.276 1.00 0.00 C ATOM 256 OG SER A 31 -12.711 0.930 -6.901 1.00 0.00 O ATOM 0 H SER A 31 -14.246 2.334 -10.030 1.00 0.00 H new ATOM 0 HA SER A 31 -13.177 3.225 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.637 0.773 -8.740 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.892 0.928 -8.796 1.00 0.00 H new ATOM 0 HG SER A 31 -12.624 -0.042 -6.810 1.00 0.00 H new ATOM 257 N LEU A 32 -10.836 3.919 -7.995 1.00 0.00 N ATOM 258 CA LEU A 32 -9.530 4.528 -8.370 1.00 0.00 C ATOM 259 C LEU A 32 -8.508 3.419 -8.602 1.00 0.00 C ATOM 260 O LEU A 32 -7.529 3.595 -9.299 1.00 0.00 O ATOM 261 CB LEU A 32 -9.048 5.427 -7.230 1.00 0.00 C ATOM 262 CG LEU A 32 -9.960 6.648 -7.112 1.00 0.00 C ATOM 263 CD1 LEU A 32 -11.367 6.205 -6.703 1.00 0.00 C ATOM 264 CD2 LEU A 32 -9.404 7.600 -6.052 1.00 0.00 C ATOM 0 H LEU A 32 -11.060 3.961 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.646 5.118 -9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.046 4.871 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.022 5.745 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.005 7.156 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.014 7.078 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.768 5.527 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.322 5.694 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.054 8.471 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.358 7.088 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.403 7.921 -6.341 1.00 0.00 H new ATOM 265 N ASP A 33 -8.731 2.275 -8.021 1.00 0.00 N ATOM 266 CA ASP A 33 -7.776 1.148 -8.203 1.00 0.00 C ATOM 267 C ASP A 33 -7.848 0.649 -9.647 1.00 0.00 C ATOM 268 O ASP A 33 -7.072 -0.187 -10.065 1.00 0.00 O ATOM 269 CB ASP A 33 -8.139 0.008 -7.249 1.00 0.00 C ATOM 270 CG ASP A 33 -7.760 0.398 -5.819 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.098 1.410 -5.658 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.138 -0.323 -4.910 1.00 0.00 O ATOM 0 H ASP A 33 -9.535 2.071 -7.427 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.764 1.491 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.207 -0.204 -7.308 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.616 -0.903 -7.539 1.00 0.00 H new ATOM 273 N GLY A 34 -8.778 1.154 -10.413 1.00 0.00 N ATOM 274 CA GLY A 34 -8.903 0.704 -11.826 1.00 0.00 C ATOM 275 C GLY A 34 -10.092 -0.250 -11.945 1.00 0.00 C ATOM 276 O GLY A 34 -10.217 -0.987 -12.903 1.00 0.00 O ATOM 0 H GLY A 34 -9.455 1.858 -10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.043 1.563 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.988 0.205 -12.144 1.00 0.00 H new ATOM 277 N ILE A 35 -10.967 -0.245 -10.977 1.00 0.00 N ATOM 278 CA ILE A 35 -12.146 -1.154 -11.034 1.00 0.00 C ATOM 279 C ILE A 35 -13.416 -0.332 -11.261 1.00 0.00 C ATOM 280 O ILE A 35 -13.526 0.793 -10.819 1.00 0.00 O ATOM 281 CB ILE A 35 -12.271 -1.920 -9.713 1.00 0.00 C ATOM 282 CG1 ILE A 35 -10.887 -2.361 -9.234 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.152 -3.155 -9.920 1.00 0.00 C ATOM 284 CD1 ILE A 35 -10.690 -1.922 -7.782 1.00 0.00 C ATOM 0 H ILE A 35 -10.916 0.349 -10.149 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.015 -1.860 -11.854 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.721 -1.269 -8.964 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.790 -3.444 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.114 -1.923 -9.866 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.241 -3.700 -8.980 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.142 -2.844 -10.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -12.701 -3.801 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.704 -2.235 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.770 -0.837 -7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.455 -2.381 -7.156 1.00 0.00 H new ATOM 285 N MET A 36 -14.379 -0.890 -11.941 1.00 0.00 N ATOM 286 CA MET A 36 -15.646 -0.147 -12.190 1.00 0.00 C ATOM 287 C MET A 36 -16.655 -0.502 -11.098 1.00 0.00 C ATOM 288 O MET A 36 -17.851 -0.416 -11.291 1.00 0.00 O ATOM 289 CB MET A 36 -16.214 -0.546 -13.554 1.00 0.00 C ATOM 290 CG MET A 36 -15.262 -0.084 -14.660 1.00 0.00 C ATOM 291 SD MET A 36 -15.998 -0.440 -16.274 1.00 0.00 S ATOM 292 CE MET A 36 -14.534 -0.081 -17.274 1.00 0.00 C ATOM 0 H MET A 36 -14.343 -1.830 -12.336 1.00 0.00 H new ATOM 0 HA MET A 36 -15.451 0.925 -12.180 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.347 -1.627 -13.602 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.197 -0.097 -13.695 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.067 0.984 -14.565 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.303 -0.593 -14.565 1.00 0.00 H new ATOM 0 HE1 MET A 36 -14.765 -0.238 -18.327 1.00 0.00 H new ATOM 0 HE2 MET A 36 -14.233 0.955 -17.119 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.720 -0.743 -16.979 1.00 0.00 H new ATOM 293 N PHE A 37 -16.181 -0.910 -9.952 1.00 0.00 N ATOM 294 CA PHE A 37 -17.110 -1.280 -8.849 1.00 0.00 C ATOM 295 C PHE A 37 -17.319 -0.080 -7.923 1.00 0.00 C ATOM 296 O PHE A 37 -16.598 0.896 -7.983 1.00 0.00 O ATOM 297 CB PHE A 37 -16.516 -2.440 -8.049 1.00 0.00 C ATOM 298 CG PHE A 37 -17.453 -2.806 -6.923 1.00 0.00 C ATOM 299 CD1 PHE A 37 -18.462 -3.755 -7.131 1.00 0.00 C ATOM 300 CD2 PHE A 37 -17.316 -2.194 -5.671 1.00 0.00 C ATOM 301 CE1 PHE A 37 -19.332 -4.091 -6.087 1.00 0.00 C ATOM 302 CE2 PHE A 37 -18.186 -2.531 -4.628 1.00 0.00 C ATOM 303 CZ PHE A 37 -19.195 -3.479 -4.836 1.00 0.00 C ATOM 0 H PHE A 37 -15.189 -1.003 -9.733 1.00 0.00 H new ATOM 0 HA PHE A 37 -18.068 -1.580 -9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -16.357 -3.301 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.542 -2.159 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -18.569 -4.227 -8.096 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -16.539 -1.462 -5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -20.110 -4.823 -6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -18.079 -2.060 -3.662 1.00 0.00 H new ATOM 0 HZ PHE A 37 -19.867 -3.738 -4.031 1.00 0.00 H new ATOM 304 N ILE A 38 -18.301 -0.147 -7.065 1.00 0.00 N ATOM 305 CA ILE A 38 -18.552 0.989 -6.135 1.00 0.00 C ATOM 306 C ILE A 38 -17.244 1.371 -5.441 1.00 0.00 C ATOM 307 O ILE A 38 -16.832 0.750 -4.480 1.00 0.00 O ATOM 308 CB ILE A 38 -19.589 0.582 -5.087 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.862 0.096 -5.787 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.921 1.789 -4.210 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.868 -0.384 -4.740 1.00 0.00 C ATOM 0 H ILE A 38 -18.938 -0.938 -6.969 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.931 1.842 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 38 -19.187 -0.221 -4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -21.294 0.902 -6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -20.624 -0.714 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.660 1.503 -3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -19.016 2.137 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.324 2.590 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.774 -0.730 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -21.434 -1.203 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -22.114 0.438 -4.068 1.00 0.00 H new ATOM 312 N ASN A 39 -16.588 2.387 -5.927 1.00 0.00 N ATOM 313 CA ASN A 39 -15.302 2.814 -5.310 1.00 0.00 C ATOM 314 C ASN A 39 -15.493 3.054 -3.815 1.00 0.00 C ATOM 315 O ASN A 39 -14.615 2.792 -3.020 1.00 0.00 O ATOM 316 CB ASN A 39 -14.838 4.112 -5.964 1.00 0.00 C ATOM 317 CG ASN A 39 -13.454 4.489 -5.430 1.00 0.00 C ATOM 318 OD1 ASN A 39 -13.230 5.613 -5.029 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.509 3.588 -5.405 1.00 0.00 N ATOM 0 H ASN A 39 -16.888 2.942 -6.728 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.558 2.031 -5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.801 3.993 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.550 4.911 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.584 3.829 -5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.696 2.643 -5.742 1.00 0.00 H new ATOM 320 N LYS A 40 -16.626 3.561 -3.425 1.00 0.00 N ATOM 321 CA LYS A 40 -16.851 3.824 -1.980 1.00 0.00 C ATOM 322 C LYS A 40 -16.733 2.511 -1.205 1.00 0.00 C ATOM 323 O LYS A 40 -16.065 2.431 -0.194 1.00 0.00 O ATOM 324 CB LYS A 40 -18.238 4.434 -1.783 1.00 0.00 C ATOM 325 CG LYS A 40 -18.286 5.811 -2.450 1.00 0.00 C ATOM 326 CD LYS A 40 -19.605 6.503 -2.098 1.00 0.00 C ATOM 327 CE LYS A 40 -20.760 5.781 -2.794 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.947 6.346 -4.160 1.00 0.00 N ATOM 0 H LYS A 40 -17.402 3.804 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.103 4.525 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -18.999 3.782 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.460 4.525 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.444 6.418 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.195 5.707 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.755 6.496 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.575 7.547 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.551 4.713 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.676 5.893 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.412 5.641 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.539 7.199 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.021 6.593 -4.563 1.00 0.00 H new ATOM 329 N CYS A 41 -17.362 1.477 -1.680 1.00 0.00 N ATOM 330 CA CYS A 41 -17.270 0.165 -0.980 1.00 0.00 C ATOM 331 C CYS A 41 -15.908 -0.458 -1.284 1.00 0.00 C ATOM 332 O CYS A 41 -15.384 -1.248 -0.524 1.00 0.00 O ATOM 333 CB CYS A 41 -18.374 -0.767 -1.485 1.00 0.00 C ATOM 334 SG CYS A 41 -19.846 -0.589 -0.450 1.00 0.00 S ATOM 0 H CYS A 41 -17.937 1.481 -2.523 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.386 0.311 0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.616 -0.531 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -18.027 -1.800 -1.466 1.00 0.00 H new ATOM 335 N ALA A 42 -15.334 -0.109 -2.404 1.00 0.00 N ATOM 336 CA ALA A 42 -14.010 -0.675 -2.780 1.00 0.00 C ATOM 337 C ALA A 42 -12.891 0.063 -2.040 1.00 0.00 C ATOM 338 O ALA A 42 -11.879 -0.515 -1.695 1.00 0.00 O ATOM 339 CB ALA A 42 -13.807 -0.515 -4.286 1.00 0.00 C ATOM 0 H ALA A 42 -15.729 0.548 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.982 -1.730 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.839 -0.928 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.597 -1.046 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.841 0.543 -4.547 1.00 0.00 H new ATOM 340 N THR A 43 -13.055 1.337 -1.801 1.00 0.00 N ATOM 341 CA THR A 43 -11.986 2.100 -1.095 1.00 0.00 C ATOM 342 C THR A 43 -12.532 2.662 0.219 1.00 0.00 C ATOM 343 O THR A 43 -12.025 2.369 1.284 1.00 0.00 O ATOM 344 CB THR A 43 -11.505 3.249 -1.986 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.627 3.918 -2.543 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.628 2.692 -3.111 1.00 0.00 C ATOM 0 H THR A 43 -13.878 1.879 -2.063 1.00 0.00 H new ATOM 0 HA THR A 43 -11.151 1.434 -0.879 1.00 0.00 H new ATOM 0 HB THR A 43 -10.924 3.952 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.200 3.269 -3.002 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.286 3.510 -3.745 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.766 2.181 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.207 1.988 -3.709 1.00 0.00 H new ATOM 347 N CYS A 44 -13.556 3.469 0.162 1.00 0.00 N ATOM 348 CA CYS A 44 -14.114 4.040 1.419 1.00 0.00 C ATOM 349 C CYS A 44 -14.353 2.913 2.423 1.00 0.00 C ATOM 350 O CYS A 44 -14.291 3.113 3.620 1.00 0.00 O ATOM 351 CB CYS A 44 -15.434 4.753 1.130 1.00 0.00 C ATOM 352 SG CYS A 44 -15.165 6.542 1.159 1.00 0.00 S ATOM 0 H CYS A 44 -14.028 3.756 -0.696 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.405 4.758 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.821 4.447 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -16.182 4.474 1.872 1.00 0.00 H new ATOM 353 N LYS A 45 -14.620 1.726 1.950 1.00 0.00 N ATOM 354 CA LYS A 45 -14.854 0.596 2.889 1.00 0.00 C ATOM 355 C LYS A 45 -13.686 0.519 3.873 1.00 0.00 C ATOM 356 O LYS A 45 -13.868 0.582 5.072 1.00 0.00 O ATOM 357 CB LYS A 45 -14.955 -0.713 2.104 1.00 0.00 C ATOM 358 CG LYS A 45 -15.113 -1.880 3.080 1.00 0.00 C ATOM 359 CD LYS A 45 -15.436 -3.155 2.299 1.00 0.00 C ATOM 360 CE LYS A 45 -15.998 -4.207 3.256 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.924 -5.176 3.613 1.00 0.00 N ATOM 0 H LYS A 45 -14.686 1.492 0.959 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.784 0.755 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.805 -0.677 1.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.063 -0.853 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.197 -2.015 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.908 -1.666 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.159 -2.940 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.538 -3.534 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.384 -3.727 4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.834 -4.729 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.305 -5.892 4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.576 -5.642 2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.140 -4.671 4.074 1.00 0.00 H new ATOM 362 N MET A 46 -12.487 0.401 3.373 1.00 0.00 N ATOM 363 CA MET A 46 -11.308 0.340 4.279 1.00 0.00 C ATOM 364 C MET A 46 -11.170 1.689 4.982 1.00 0.00 C ATOM 365 O MET A 46 -10.863 1.765 6.154 1.00 0.00 O ATOM 366 CB MET A 46 -10.046 0.050 3.464 1.00 0.00 C ATOM 367 CG MET A 46 -10.218 -1.272 2.712 1.00 0.00 C ATOM 368 SD MET A 46 -8.732 -1.609 1.734 1.00 0.00 S ATOM 369 CE MET A 46 -7.591 -1.823 3.122 1.00 0.00 C ATOM 0 H MET A 46 -12.274 0.344 2.377 1.00 0.00 H new ATOM 0 HA MET A 46 -11.441 -0.453 5.015 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.861 0.860 2.759 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.179 -0.004 4.123 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.393 -2.084 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.091 -1.221 2.061 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.784 -2.494 2.829 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.175 -0.856 3.403 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.126 -2.248 3.971 1.00 0.00 H new ATOM 370 N ILE A 47 -11.415 2.757 4.271 1.00 0.00 N ATOM 371 CA ILE A 47 -11.320 4.104 4.895 1.00 0.00 C ATOM 372 C ILE A 47 -12.322 4.178 6.047 1.00 0.00 C ATOM 373 O ILE A 47 -12.085 4.817 7.052 1.00 0.00 O ATOM 374 CB ILE A 47 -11.653 5.173 3.850 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.693 5.045 2.666 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.512 6.565 4.470 1.00 0.00 C ATOM 377 CD1 ILE A 47 -9.251 5.019 3.180 1.00 0.00 C ATOM 0 H ILE A 47 -11.677 2.753 3.285 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.311 4.275 5.270 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.678 5.033 3.507 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.908 4.134 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.831 5.881 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.750 7.322 3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.197 6.659 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.488 6.707 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.566 4.928 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.041 5.942 3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.118 4.169 3.849 1.00 0.00 H new ATOM 378 N LEU A 48 -13.438 3.512 5.911 1.00 0.00 N ATOM 379 CA LEU A 48 -14.451 3.529 7.001 1.00 0.00 C ATOM 380 C LEU A 48 -13.814 2.980 8.278 1.00 0.00 C ATOM 381 O LEU A 48 -14.036 3.484 9.362 1.00 0.00 O ATOM 382 CB LEU A 48 -15.641 2.645 6.611 1.00 0.00 C ATOM 383 CG LEU A 48 -16.903 3.088 7.364 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.550 3.478 8.803 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.531 4.285 6.649 1.00 0.00 C ATOM 0 H LEU A 48 -13.690 2.958 5.092 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.797 4.550 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.811 2.705 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.419 1.603 6.841 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.612 2.261 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.453 3.790 9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.111 2.622 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.834 4.300 8.792 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.427 4.599 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.817 5.108 6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.797 4.002 5.631 1.00 0.00 H new ATOM 386 N GLU A 49 -13.021 1.950 8.157 1.00 0.00 N ATOM 387 CA GLU A 49 -12.366 1.366 9.362 1.00 0.00 C ATOM 388 C GLU A 49 -11.540 2.444 10.067 1.00 0.00 C ATOM 389 O GLU A 49 -11.443 2.472 11.278 1.00 0.00 O ATOM 390 CB GLU A 49 -11.448 0.217 8.939 1.00 0.00 C ATOM 391 CG GLU A 49 -12.273 -0.861 8.233 1.00 0.00 C ATOM 392 CD GLU A 49 -11.350 -1.999 7.791 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.145 -1.810 7.835 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.864 -3.039 7.413 1.00 0.00 O ATOM 0 H GLU A 49 -12.798 1.488 7.275 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.130 0.989 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.668 0.587 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.950 -0.205 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.043 -1.242 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.784 -0.436 7.369 1.00 0.00 H new ATOM 395 N LYS A 50 -10.942 3.331 9.319 1.00 0.00 N ATOM 396 CA LYS A 50 -10.122 4.404 9.949 1.00 0.00 C ATOM 397 C LYS A 50 -10.930 5.079 11.058 1.00 0.00 C ATOM 398 O LYS A 50 -10.421 5.366 12.123 1.00 0.00 O ATOM 399 CB LYS A 50 -9.742 5.442 8.892 1.00 0.00 C ATOM 400 CG LYS A 50 -8.748 6.437 9.493 1.00 0.00 C ATOM 401 CD LYS A 50 -8.369 7.481 8.440 1.00 0.00 C ATOM 402 CE LYS A 50 -7.318 8.430 9.018 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.101 8.408 8.157 1.00 0.00 N ATOM 0 H LYS A 50 -10.986 3.359 8.300 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.217 3.968 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.302 4.950 8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.632 5.966 8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.187 6.925 10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.857 5.913 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.979 6.989 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.252 8.042 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.718 9.442 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.063 8.131 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.386 9.053 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.716 7.443 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.351 8.713 7.195 1.00 0.00 H new ATOM 404 N GLU A 51 -12.187 5.335 10.817 1.00 0.00 N ATOM 405 CA GLU A 51 -13.027 5.991 11.858 1.00 0.00 C ATOM 406 C GLU A 51 -12.964 5.178 13.153 1.00 0.00 C ATOM 407 O GLU A 51 -13.024 5.717 14.240 1.00 0.00 O ATOM 408 CB GLU A 51 -14.477 6.064 11.372 1.00 0.00 C ATOM 409 CG GLU A 51 -15.310 6.869 12.372 1.00 0.00 C ATOM 410 CD GLU A 51 -16.777 6.856 11.939 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.073 6.234 10.932 1.00 0.00 O ATOM 412 OE2 GLU A 51 -17.581 7.468 12.623 1.00 0.00 O ATOM 0 H GLU A 51 -12.668 5.118 9.944 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.654 6.998 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.519 6.531 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.887 5.060 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.210 6.443 13.371 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.944 7.894 12.425 1.00 0.00 H new ATOM 413 N ALA A 52 -12.844 3.883 13.045 1.00 0.00 N ATOM 414 CA ALA A 52 -12.778 3.037 14.270 1.00 0.00 C ATOM 415 C ALA A 52 -11.522 3.389 15.067 1.00 0.00 C ATOM 416 O ALA A 52 -11.482 3.253 16.274 1.00 0.00 O ATOM 417 CB ALA A 52 -12.731 1.561 13.869 1.00 0.00 C ATOM 0 H ALA A 52 -12.789 3.375 12.162 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.660 3.219 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.683 0.942 14.765 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.627 1.309 13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.850 1.379 13.254 1.00 0.00 H new ATOM 418 N LYS A 53 -10.494 3.844 14.403 1.00 0.00 N ATOM 419 CA LYS A 53 -9.242 4.204 15.125 1.00 0.00 C ATOM 420 C LYS A 53 -9.537 5.313 16.137 1.00 0.00 C ATOM 421 O LYS A 53 -8.941 5.376 17.194 1.00 0.00 O ATOM 422 CB LYS A 53 -8.198 4.696 14.120 1.00 0.00 C ATOM 423 CG LYS A 53 -7.817 3.550 13.179 1.00 0.00 C ATOM 424 CD LYS A 53 -6.696 4.009 12.244 1.00 0.00 C ATOM 425 CE LYS A 53 -6.399 2.908 11.225 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.950 2.564 11.273 1.00 0.00 N ATOM 0 H LYS A 53 -10.468 3.982 13.393 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.859 3.327 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.595 5.534 13.548 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.314 5.059 14.645 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.492 2.684 13.756 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.685 3.238 12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.988 4.925 11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.799 4.238 12.819 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.001 2.025 11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.672 3.241 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.748 1.815 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.385 3.407 11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.704 2.229 12.226 1.00 0.00 H new ATOM 427 N SER A 54 -10.452 6.188 15.822 1.00 0.00 N ATOM 428 CA SER A 54 -10.785 7.291 16.767 1.00 0.00 C ATOM 429 C SER A 54 -11.336 6.700 18.066 1.00 0.00 C ATOM 430 O SER A 54 -11.250 7.302 19.118 1.00 0.00 O ATOM 431 CB SER A 54 -11.837 8.204 16.135 1.00 0.00 C ATOM 432 OG SER A 54 -13.065 7.501 16.020 1.00 0.00 O ATOM 0 H SER A 54 -10.983 6.187 14.951 1.00 0.00 H new ATOM 0 HA SER A 54 -9.886 7.868 16.983 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.973 9.097 16.745 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.502 8.537 15.152 1.00 0.00 H new ATOM 0 HG SER A 54 -12.903 6.625 15.612 1.00 0.00 H new ATOM 433 N GLN A 55 -11.902 5.527 18.002 1.00 0.00 N ATOM 434 CA GLN A 55 -12.459 4.899 19.233 1.00 0.00 C ATOM 435 C GLN A 55 -13.559 5.793 19.809 1.00 0.00 C ATOM 436 O GLN A 55 -13.225 6.825 20.368 1.00 0.00 O ATOM 437 CB GLN A 55 -11.344 4.732 20.269 1.00 0.00 C ATOM 438 CG GLN A 55 -10.282 3.776 19.723 1.00 0.00 C ATOM 439 CD GLN A 55 -9.136 3.657 20.731 1.00 0.00 C ATOM 440 OE1 GLN A 55 -9.015 4.469 21.627 1.00 0.00 O ATOM 441 NE2 GLN A 55 -8.287 2.673 20.621 1.00 0.00 N ATOM 442 OXT GLN A 55 -14.717 5.430 19.683 1.00 0.00 O ATOM 0 H GLN A 55 -12.003 4.976 17.150 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.876 3.923 18.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -10.896 5.699 20.496 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.754 4.344 21.201 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.721 2.796 19.538 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.904 4.142 18.768 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.390 1.992 19.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.520 2.584 21.288 1.00 0.00 H new TER 443 GLN A 55