USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 547 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 36 CYS SG : rot 35:sc= -24.8! USER MOD Set 1.2: A 62 CYS SG : rot 3:sc= -25.2! USER MOD Set 2.1: A 13 SER OG : rot 60:sc= 0 USER MOD Set 2.2: A 27 SER OG : rot -90:sc= -0.743 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0635 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.582 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.51) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 51 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 57 ASN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc=-0.00533 (180deg=-0.134) USER MOD Single : A 65 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.001 17.993 -18.769 1.00 53.21 N ATOM 2 CA GLY A 1 -1.332 17.815 -17.367 1.00 41.23 C ATOM 3 C GLY A 1 -0.103 17.791 -16.480 1.00 61.04 C ATOM 4 O GLY A 1 1.017 18.040 -16.928 1.00 13.44 O ATOM 0 H1 GLY A 1 -1.477 18.843 -19.133 1.00 53.21 H new ATOM 0 H2 GLY A 1 0.028 18.102 -18.872 1.00 53.21 H new ATOM 0 H3 GLY A 1 -1.316 17.162 -19.308 1.00 53.21 H new ATOM 0 HA2 GLY A 1 -1.991 18.622 -17.047 1.00 41.23 H new ATOM 0 HA3 GLY A 1 -1.884 16.884 -17.243 1.00 41.23 H new ATOM 8 N PRO A 2 -0.306 17.486 -15.190 1.00 5.00 N ATOM 9 CA PRO A 2 0.784 17.424 -14.211 1.00 14.23 C ATOM 10 C PRO A 2 1.709 16.236 -14.448 1.00 24.04 C ATOM 11 O PRO A 2 2.930 16.387 -14.485 1.00 50.12 O ATOM 12 CB PRO A 2 0.051 17.274 -12.875 1.00 24.40 C ATOM 13 CG PRO A 2 -1.254 16.648 -13.227 1.00 11.11 C ATOM 14 CD PRO A 2 -1.613 17.178 -14.588 1.00 34.53 C ATOM 0 HA PRO A 2 1.430 18.301 -14.263 1.00 14.23 H new ATOM 0 HB2 PRO A 2 0.615 16.650 -12.182 1.00 24.40 H new ATOM 0 HB3 PRO A 2 -0.091 18.240 -12.391 1.00 24.40 H new ATOM 0 HG2 PRO A 2 -1.175 15.561 -13.240 1.00 11.11 H new ATOM 0 HG3 PRO A 2 -2.020 16.903 -12.494 1.00 11.11 H new ATOM 0 HD2 PRO A 2 -2.162 16.441 -15.174 1.00 34.53 H new ATOM 0 HD3 PRO A 2 -2.243 18.065 -14.520 1.00 34.53 H new ATOM 22 N GLU A 3 1.120 15.055 -14.607 1.00 42.02 N ATOM 23 CA GLU A 3 1.894 13.841 -14.840 1.00 40.31 C ATOM 24 C GLU A 3 1.002 12.719 -15.362 1.00 73.14 C ATOM 25 O GLU A 3 -0.134 12.954 -15.776 1.00 10.15 O ATOM 26 CB GLU A 3 2.589 13.397 -13.551 1.00 53.41 C ATOM 27 CG GLU A 3 1.644 12.784 -12.531 1.00 3.01 C ATOM 28 CD GLU A 3 1.801 13.392 -11.151 1.00 3.41 C ATOM 29 OE1 GLU A 3 1.755 14.635 -11.041 1.00 13.31 O ATOM 30 OE2 GLU A 3 1.971 12.625 -10.180 1.00 74.55 O ATOM 0 H GLU A 3 0.110 14.913 -14.579 1.00 42.02 H new ATOM 0 HA GLU A 3 2.650 14.062 -15.594 1.00 40.31 H new ATOM 0 HB2 GLU A 3 3.364 12.672 -13.797 1.00 53.41 H new ATOM 0 HB3 GLU A 3 3.087 14.256 -13.102 1.00 53.41 H new ATOM 0 HG2 GLU A 3 0.616 12.917 -12.868 1.00 3.01 H new ATOM 0 HG3 GLU A 3 1.824 11.711 -12.474 1.00 3.01 H new ATOM 37 N LYS A 4 1.524 11.497 -15.341 1.00 42.44 N ATOM 38 CA LYS A 4 0.777 10.337 -15.811 1.00 71.04 C ATOM 39 C LYS A 4 1.421 9.042 -15.326 1.00 51.22 C ATOM 40 O LYS A 4 2.461 9.064 -14.668 1.00 73.04 O ATOM 41 CB LYS A 4 0.700 10.339 -17.340 1.00 11.12 C ATOM 42 CG LYS A 4 -0.693 10.616 -17.878 1.00 51.02 C ATOM 43 CD LYS A 4 -0.641 11.322 -19.223 1.00 12.24 C ATOM 44 CE LYS A 4 -1.795 10.900 -20.119 1.00 70.31 C ATOM 45 NZ LYS A 4 -2.837 11.959 -20.219 1.00 3.32 N ATOM 0 H LYS A 4 2.463 11.285 -15.003 1.00 42.44 H new ATOM 0 HA LYS A 4 -0.232 10.396 -15.402 1.00 71.04 H new ATOM 0 HB2 LYS A 4 1.387 11.091 -17.729 1.00 11.12 H new ATOM 0 HB3 LYS A 4 1.039 9.373 -17.714 1.00 11.12 H new ATOM 0 HG2 LYS A 4 -1.238 9.678 -17.979 1.00 51.02 H new ATOM 0 HG3 LYS A 4 -1.244 11.229 -17.165 1.00 51.02 H new ATOM 0 HD2 LYS A 4 -0.673 12.401 -19.070 1.00 12.24 H new ATOM 0 HD3 LYS A 4 0.305 11.098 -19.716 1.00 12.24 H new ATOM 0 HE2 LYS A 4 -1.416 10.669 -21.114 1.00 70.31 H new ATOM 0 HE3 LYS A 4 -2.243 9.986 -19.728 1.00 70.31 H new ATOM 0 HZ1 LYS A 4 -3.606 11.632 -20.838 1.00 3.32 H new ATOM 0 HZ2 LYS A 4 -3.217 12.162 -19.273 1.00 3.32 H new ATOM 0 HZ3 LYS A 4 -2.416 12.823 -20.616 1.00 3.32 H new ATOM 59 N MET A 5 0.797 7.916 -15.656 1.00 52.24 N ATOM 60 CA MET A 5 1.312 6.612 -15.256 1.00 34.10 C ATOM 61 C MET A 5 1.406 5.673 -16.455 1.00 1.33 C ATOM 62 O MET A 5 1.082 6.054 -17.579 1.00 12.31 O ATOM 63 CB MET A 5 0.416 5.995 -14.180 1.00 23.13 C ATOM 64 CG MET A 5 -1.013 5.759 -14.640 1.00 61.32 C ATOM 65 SD MET A 5 -2.167 5.591 -13.265 1.00 70.01 S ATOM 66 CE MET A 5 -3.711 5.367 -14.144 1.00 53.34 C ATOM 0 H MET A 5 -0.066 7.880 -16.199 1.00 52.24 H new ATOM 0 HA MET A 5 2.313 6.754 -14.849 1.00 34.10 H new ATOM 0 HB2 MET A 5 0.847 5.046 -13.860 1.00 23.13 H new ATOM 0 HB3 MET A 5 0.405 6.650 -13.309 1.00 23.13 H new ATOM 0 HG2 MET A 5 -1.328 6.588 -15.274 1.00 61.32 H new ATOM 0 HG3 MET A 5 -1.049 4.858 -15.252 1.00 61.32 H new ATOM 0 HE1 MET A 5 -4.524 5.249 -13.427 1.00 53.34 H new ATOM 0 HE2 MET A 5 -3.903 6.238 -14.770 1.00 53.34 H new ATOM 0 HE3 MET A 5 -3.647 4.477 -14.770 1.00 53.34 H new ATOM 76 N GLU A 6 1.852 4.446 -16.206 1.00 63.02 N ATOM 77 CA GLU A 6 1.990 3.455 -17.267 1.00 30.43 C ATOM 78 C GLU A 6 1.410 2.111 -16.834 1.00 50.10 C ATOM 79 O GLU A 6 2.096 1.089 -16.859 1.00 52.02 O ATOM 80 CB GLU A 6 3.462 3.287 -17.651 1.00 15.30 C ATOM 81 CG GLU A 6 3.667 2.797 -19.074 1.00 71.23 C ATOM 82 CD GLU A 6 3.832 3.933 -20.065 1.00 24.02 C ATOM 83 OE1 GLU A 6 4.610 4.865 -19.773 1.00 5.35 O ATOM 84 OE2 GLU A 6 3.184 3.890 -21.131 1.00 44.32 O ATOM 0 H GLU A 6 2.124 4.115 -15.280 1.00 63.02 H new ATOM 0 HA GLU A 6 1.434 3.810 -18.135 1.00 30.43 H new ATOM 0 HB2 GLU A 6 3.972 4.242 -17.527 1.00 15.30 H new ATOM 0 HB3 GLU A 6 3.931 2.584 -16.962 1.00 15.30 H new ATOM 0 HG2 GLU A 6 4.549 2.157 -19.110 1.00 71.23 H new ATOM 0 HG3 GLU A 6 2.816 2.183 -19.369 1.00 71.23 H new ATOM 91 N VAL A 7 0.142 2.121 -16.437 1.00 15.14 N ATOM 92 CA VAL A 7 -0.532 0.904 -15.999 1.00 11.53 C ATOM 93 C VAL A 7 -1.848 0.707 -16.742 1.00 54.11 C ATOM 94 O VAL A 7 -2.700 1.596 -16.766 1.00 72.31 O ATOM 95 CB VAL A 7 -0.810 0.931 -14.484 1.00 24.31 C ATOM 96 CG1 VAL A 7 -1.475 -0.363 -14.040 1.00 71.12 C ATOM 97 CG2 VAL A 7 0.479 1.170 -13.711 1.00 35.33 C ATOM 0 H VAL A 7 -0.440 2.958 -16.409 1.00 15.14 H new ATOM 0 HA VAL A 7 0.137 0.073 -16.224 1.00 11.53 H new ATOM 0 HB VAL A 7 -1.493 1.754 -14.272 1.00 24.31 H new ATOM 0 HG11 VAL A 7 -1.664 -0.326 -12.967 1.00 71.12 H new ATOM 0 HG12 VAL A 7 -2.419 -0.487 -14.570 1.00 71.12 H new ATOM 0 HG13 VAL A 7 -0.819 -1.204 -14.264 1.00 71.12 H new ATOM 0 HG21 VAL A 7 0.265 1.186 -12.642 1.00 35.33 H new ATOM 0 HG22 VAL A 7 1.187 0.370 -13.927 1.00 35.33 H new ATOM 0 HG23 VAL A 7 0.910 2.126 -14.009 1.00 35.33 H new ATOM 107 N LYS A 8 -2.009 -0.464 -17.348 1.00 72.32 N ATOM 108 CA LYS A 8 -3.223 -0.781 -18.092 1.00 24.31 C ATOM 109 C LYS A 8 -3.274 -2.265 -18.442 1.00 35.14 C ATOM 110 O LYS A 8 -2.243 -2.892 -18.680 1.00 43.32 O ATOM 111 CB LYS A 8 -3.296 0.058 -19.370 1.00 20.52 C ATOM 112 CG LYS A 8 -2.259 -0.328 -20.411 1.00 10.34 C ATOM 113 CD LYS A 8 -2.000 0.808 -21.387 1.00 32.43 C ATOM 114 CE LYS A 8 -0.850 1.689 -20.924 1.00 62.24 C ATOM 115 NZ LYS A 8 -1.327 3.011 -20.432 1.00 21.43 N ATOM 0 H LYS A 8 -1.314 -1.210 -17.339 1.00 72.32 H new ATOM 0 HA LYS A 8 -4.079 -0.545 -17.460 1.00 24.31 H new ATOM 0 HB2 LYS A 8 -4.290 -0.043 -19.805 1.00 20.52 H new ATOM 0 HB3 LYS A 8 -3.166 1.109 -19.112 1.00 20.52 H new ATOM 0 HG2 LYS A 8 -1.328 -0.602 -19.915 1.00 10.34 H new ATOM 0 HG3 LYS A 8 -2.600 -1.208 -20.957 1.00 10.34 H new ATOM 0 HD2 LYS A 8 -1.773 0.399 -22.371 1.00 32.43 H new ATOM 0 HD3 LYS A 8 -2.902 1.411 -21.493 1.00 32.43 H new ATOM 0 HE2 LYS A 8 -0.301 1.182 -20.130 1.00 62.24 H new ATOM 0 HE3 LYS A 8 -0.152 1.838 -21.748 1.00 62.24 H new ATOM 0 HZ1 LYS A 8 -0.513 3.582 -20.126 1.00 21.43 H new ATOM 0 HZ2 LYS A 8 -1.829 3.506 -21.197 1.00 21.43 H new ATOM 0 HZ3 LYS A 8 -1.973 2.870 -19.629 1.00 21.43 H new ATOM 129 N GLU A 9 -4.482 -2.820 -18.471 1.00 53.21 N ATOM 130 CA GLU A 9 -4.667 -4.230 -18.793 1.00 22.04 C ATOM 131 C GLU A 9 -5.435 -4.394 -20.101 1.00 12.22 C ATOM 132 O GLU A 9 -5.633 -5.510 -20.581 1.00 32.42 O ATOM 133 CB GLU A 9 -5.410 -4.941 -17.660 1.00 23.34 C ATOM 134 CG GLU A 9 -6.884 -4.582 -17.579 1.00 21.32 C ATOM 135 CD GLU A 9 -7.350 -4.348 -16.155 1.00 41.51 C ATOM 136 OE1 GLU A 9 -7.710 -5.334 -15.479 1.00 73.02 O ATOM 137 OE2 GLU A 9 -7.355 -3.178 -15.717 1.00 23.31 O ATOM 0 H GLU A 9 -5.346 -2.315 -18.276 1.00 53.21 H new ATOM 0 HA GLU A 9 -3.682 -4.681 -18.912 1.00 22.04 H new ATOM 0 HB2 GLU A 9 -5.314 -6.018 -17.794 1.00 23.34 H new ATOM 0 HB3 GLU A 9 -4.932 -4.694 -16.712 1.00 23.34 H new ATOM 0 HG2 GLU A 9 -7.069 -3.685 -18.170 1.00 21.32 H new ATOM 0 HG3 GLU A 9 -7.474 -5.383 -18.023 1.00 21.32 H new ATOM 144 N ILE A 10 -5.866 -3.274 -20.671 1.00 44.34 N ATOM 145 CA ILE A 10 -6.611 -3.293 -21.924 1.00 14.44 C ATOM 146 C ILE A 10 -5.816 -2.638 -23.047 1.00 44.44 C ATOM 147 O ILE A 10 -6.226 -1.619 -23.601 1.00 55.31 O ATOM 148 CB ILE A 10 -7.966 -2.574 -21.783 1.00 13.02 C ATOM 149 CG1 ILE A 10 -8.703 -3.068 -20.536 1.00 1.41 C ATOM 150 CG2 ILE A 10 -8.814 -2.793 -23.027 1.00 61.20 C ATOM 151 CD1 ILE A 10 -9.046 -4.540 -20.580 1.00 71.22 C ATOM 0 H ILE A 10 -5.712 -2.342 -20.285 1.00 44.34 H new ATOM 0 HA ILE A 10 -6.787 -4.340 -22.170 1.00 14.44 H new ATOM 0 HB ILE A 10 -7.784 -1.505 -21.675 1.00 13.02 H new ATOM 0 HG12 ILE A 10 -8.086 -2.873 -19.659 1.00 1.41 H new ATOM 0 HG13 ILE A 10 -9.621 -2.493 -20.415 1.00 1.41 H new ATOM 0 HG21 ILE A 10 -9.768 -2.279 -22.912 1.00 61.20 H new ATOM 0 HG22 ILE A 10 -8.291 -2.398 -23.898 1.00 61.20 H new ATOM 0 HG23 ILE A 10 -8.991 -3.860 -23.164 1.00 61.20 H new ATOM 0 HD11 ILE A 10 -9.567 -4.820 -19.664 1.00 71.22 H new ATOM 0 HD12 ILE A 10 -9.689 -4.738 -21.438 1.00 71.22 H new ATOM 0 HD13 ILE A 10 -8.130 -5.124 -20.670 1.00 71.22 H new ATOM 163 N GLY A 11 -4.674 -3.232 -23.381 1.00 3.31 N ATOM 164 CA GLY A 11 -3.839 -2.693 -24.439 1.00 23.13 C ATOM 165 C GLY A 11 -3.990 -3.454 -25.741 1.00 24.32 C ATOM 166 O GLY A 11 -3.135 -4.267 -26.095 1.00 52.33 O ATOM 0 H GLY A 11 -4.312 -4.077 -22.938 1.00 3.31 H new ATOM 0 HA2 GLY A 11 -4.095 -1.646 -24.602 1.00 23.13 H new ATOM 0 HA3 GLY A 11 -2.796 -2.721 -24.124 1.00 23.13 H new ATOM 170 N ARG A 12 -5.080 -3.193 -26.454 1.00 41.33 N ATOM 171 CA ARG A 12 -5.341 -3.861 -27.723 1.00 72.52 C ATOM 172 C ARG A 12 -5.307 -2.866 -28.879 1.00 64.55 C ATOM 173 O ARG A 12 -6.206 -2.844 -29.719 1.00 72.04 O ATOM 174 CB ARG A 12 -6.699 -4.566 -27.683 1.00 3.33 C ATOM 175 CG ARG A 12 -6.790 -5.653 -26.625 1.00 25.04 C ATOM 176 CD ARG A 12 -7.357 -6.942 -27.198 1.00 21.22 C ATOM 177 NE ARG A 12 -7.287 -8.044 -26.242 1.00 3.13 N ATOM 178 CZ ARG A 12 -7.465 -9.318 -26.574 1.00 3.42 C ATOM 179 NH1 ARG A 12 -7.722 -9.649 -27.832 1.00 3.53 N ATOM 180 NH2 ARG A 12 -7.385 -10.264 -25.647 1.00 12.43 N ATOM 0 H ARG A 12 -5.797 -2.523 -26.175 1.00 41.33 H new ATOM 0 HA ARG A 12 -4.558 -4.603 -27.882 1.00 72.52 H new ATOM 0 HB2 ARG A 12 -7.478 -3.826 -27.499 1.00 3.33 H new ATOM 0 HB3 ARG A 12 -6.900 -5.004 -28.660 1.00 3.33 H new ATOM 0 HG2 ARG A 12 -5.800 -5.842 -26.210 1.00 25.04 H new ATOM 0 HG3 ARG A 12 -7.419 -5.311 -25.804 1.00 25.04 H new ATOM 0 HD2 ARG A 12 -8.394 -6.782 -27.492 1.00 21.22 H new ATOM 0 HD3 ARG A 12 -6.808 -7.210 -28.101 1.00 21.22 H new ATOM 0 HE ARG A 12 -7.091 -7.823 -25.266 1.00 3.13 H new ATOM 0 HH11 ARG A 12 -7.783 -8.925 -28.548 1.00 3.53 H new ATOM 0 HH12 ARG A 12 -7.858 -10.628 -28.084 1.00 3.53 H new ATOM 0 HH21 ARG A 12 -7.187 -10.013 -24.678 1.00 12.43 H new ATOM 0 HH22 ARG A 12 -7.522 -11.242 -25.903 1.00 12.43 H new ATOM 194 N SER A 13 -4.262 -2.045 -28.915 1.00 54.23 N ATOM 195 CA SER A 13 -4.113 -1.044 -29.966 1.00 24.43 C ATOM 196 C SER A 13 -2.701 -1.071 -30.543 1.00 43.43 C ATOM 197 O SER A 13 -1.749 -1.460 -29.867 1.00 44.02 O ATOM 198 CB SER A 13 -4.427 0.350 -29.420 1.00 23.21 C ATOM 199 OG SER A 13 -4.373 1.324 -30.448 1.00 25.13 O ATOM 0 H SER A 13 -3.507 -2.053 -28.230 1.00 54.23 H new ATOM 0 HA SER A 13 -4.818 -1.281 -30.763 1.00 24.43 H new ATOM 0 HB2 SER A 13 -5.418 0.351 -28.965 1.00 23.21 H new ATOM 0 HB3 SER A 13 -3.715 0.605 -28.635 1.00 23.21 H new ATOM 0 HG SER A 13 -5.028 1.103 -31.143 1.00 25.13 H new ATOM 205 N SER A 14 -2.574 -0.653 -31.799 1.00 31.21 N ATOM 206 CA SER A 14 -1.280 -0.632 -32.470 1.00 41.15 C ATOM 207 C SER A 14 -0.732 0.790 -32.549 1.00 23.35 C ATOM 208 O SER A 14 -0.027 1.145 -33.494 1.00 12.55 O ATOM 209 CB SER A 14 -1.402 -1.222 -33.877 1.00 4.41 C ATOM 210 OG SER A 14 -1.321 -2.636 -33.846 1.00 24.14 O ATOM 0 H SER A 14 -3.352 -0.325 -32.372 1.00 31.21 H new ATOM 0 HA SER A 14 -0.586 -1.239 -31.888 1.00 41.15 H new ATOM 0 HB2 SER A 14 -2.350 -0.919 -34.321 1.00 4.41 H new ATOM 0 HB3 SER A 14 -0.611 -0.823 -34.512 1.00 4.41 H new ATOM 0 HG SER A 14 -1.403 -2.988 -34.757 1.00 24.14 H new ATOM 216 N LYS A 15 -1.060 1.600 -31.548 1.00 34.53 N ATOM 217 CA LYS A 15 -0.602 2.983 -31.500 1.00 25.33 C ATOM 218 C LYS A 15 0.908 3.048 -31.287 1.00 55.22 C ATOM 219 O LYS A 15 1.480 2.220 -30.579 1.00 23.23 O ATOM 220 CB LYS A 15 -1.318 3.741 -30.380 1.00 73.21 C ATOM 221 CG LYS A 15 -0.781 3.430 -28.994 1.00 30.51 C ATOM 222 CD LYS A 15 -1.308 2.102 -28.477 1.00 35.33 C ATOM 223 CE LYS A 15 -0.252 1.010 -28.564 1.00 15.51 C ATOM 224 NZ LYS A 15 -0.355 0.048 -27.432 1.00 62.12 N ATOM 0 H LYS A 15 -1.642 1.322 -30.758 1.00 34.53 H new ATOM 0 HA LYS A 15 -0.838 3.451 -32.456 1.00 25.33 H new ATOM 0 HB2 LYS A 15 -1.229 4.812 -30.563 1.00 73.21 H new ATOM 0 HB3 LYS A 15 -2.381 3.500 -30.411 1.00 73.21 H new ATOM 0 HG2 LYS A 15 0.308 3.404 -29.022 1.00 30.51 H new ATOM 0 HG3 LYS A 15 -1.063 4.227 -28.306 1.00 30.51 H new ATOM 0 HD2 LYS A 15 -1.631 2.216 -27.442 1.00 35.33 H new ATOM 0 HD3 LYS A 15 -2.185 1.808 -29.054 1.00 35.33 H new ATOM 0 HE2 LYS A 15 -0.360 0.474 -29.507 1.00 15.51 H new ATOM 0 HE3 LYS A 15 0.739 1.463 -28.567 1.00 15.51 H new ATOM 0 HZ1 LYS A 15 0.381 -0.680 -27.527 1.00 62.12 H new ATOM 0 HZ2 LYS A 15 -0.226 0.555 -26.533 1.00 62.12 H new ATOM 0 HZ3 LYS A 15 -1.292 -0.403 -27.444 1.00 62.12 H new ATOM 238 N ILE A 16 1.545 4.038 -31.904 1.00 33.14 N ATOM 239 CA ILE A 16 2.987 4.212 -31.779 1.00 55.11 C ATOM 240 C ILE A 16 3.430 5.553 -32.354 1.00 11.23 C ATOM 241 O ILE A 16 2.645 6.258 -32.988 1.00 55.02 O ATOM 242 CB ILE A 16 3.754 3.082 -32.491 1.00 54.33 C ATOM 243 CG1 ILE A 16 2.884 2.456 -33.583 1.00 63.43 C ATOM 244 CG2 ILE A 16 4.195 2.028 -31.488 1.00 22.52 C ATOM 245 CD1 ILE A 16 3.656 1.568 -34.534 1.00 73.34 C ATOM 0 H ILE A 16 1.086 4.731 -32.495 1.00 33.14 H new ATOM 0 HA ILE A 16 3.218 4.182 -30.714 1.00 55.11 H new ATOM 0 HB ILE A 16 4.643 3.504 -32.959 1.00 54.33 H new ATOM 0 HG12 ILE A 16 2.092 1.872 -33.115 1.00 63.43 H new ATOM 0 HG13 ILE A 16 2.401 3.251 -34.152 1.00 63.43 H new ATOM 0 HG21 ILE A 16 4.736 1.236 -32.006 1.00 22.52 H new ATOM 0 HG22 ILE A 16 4.847 2.485 -30.743 1.00 22.52 H new ATOM 0 HG23 ILE A 16 3.319 1.606 -30.994 1.00 22.52 H new ATOM 0 HD11 ILE A 16 2.977 1.158 -35.282 1.00 73.34 H new ATOM 0 HD12 ILE A 16 4.431 2.153 -35.030 1.00 73.34 H new ATOM 0 HD13 ILE A 16 4.117 0.752 -33.977 1.00 73.34 H new ATOM 257 N ILE A 17 4.693 5.898 -32.129 1.00 1.45 N ATOM 258 CA ILE A 17 5.242 7.154 -32.627 1.00 33.35 C ATOM 259 C ILE A 17 6.293 6.905 -33.703 1.00 54.54 C ATOM 260 O ILE A 17 6.785 5.787 -33.860 1.00 54.23 O ATOM 261 CB ILE A 17 5.872 7.982 -31.492 1.00 12.35 C ATOM 262 CG1 ILE A 17 6.996 7.193 -30.817 1.00 73.44 C ATOM 263 CG2 ILE A 17 4.812 8.379 -30.475 1.00 3.35 C ATOM 264 CD1 ILE A 17 6.524 6.337 -29.663 1.00 23.14 C ATOM 0 H ILE A 17 5.356 5.326 -31.605 1.00 1.45 H new ATOM 0 HA ILE A 17 4.411 7.714 -33.056 1.00 33.35 H new ATOM 0 HB ILE A 17 6.297 8.890 -31.919 1.00 12.35 H new ATOM 0 HG12 ILE A 17 7.478 6.556 -31.559 1.00 73.44 H new ATOM 0 HG13 ILE A 17 7.752 7.890 -30.456 1.00 73.44 H new ATOM 0 HG21 ILE A 17 5.273 8.964 -29.679 1.00 3.35 H new ATOM 0 HG22 ILE A 17 4.043 8.976 -30.965 1.00 3.35 H new ATOM 0 HG23 ILE A 17 4.360 7.482 -30.051 1.00 3.35 H new ATOM 0 HD11 ILE A 17 7.373 5.806 -29.232 1.00 23.14 H new ATOM 0 HD12 ILE A 17 6.069 6.971 -28.902 1.00 23.14 H new ATOM 0 HD13 ILE A 17 5.790 5.616 -30.022 1.00 23.14 H new ATOM 276 N LEU A 18 6.634 7.955 -34.442 1.00 52.41 N ATOM 277 CA LEU A 18 7.629 7.853 -35.504 1.00 72.21 C ATOM 278 C LEU A 18 8.498 9.105 -35.559 1.00 22.14 C ATOM 279 O LEU A 18 8.057 10.179 -35.967 1.00 43.34 O ATOM 280 CB LEU A 18 6.942 7.636 -36.854 1.00 23.43 C ATOM 281 CG LEU A 18 7.859 7.617 -38.078 1.00 32.34 C ATOM 282 CD1 LEU A 18 8.080 9.028 -38.600 1.00 64.43 C ATOM 283 CD2 LEU A 18 9.187 6.957 -37.739 1.00 24.32 C ATOM 0 H LEU A 18 6.236 8.887 -34.325 1.00 52.41 H new ATOM 0 HA LEU A 18 8.269 6.998 -35.287 1.00 72.21 H new ATOM 0 HB2 LEU A 18 6.400 6.691 -36.816 1.00 23.43 H new ATOM 0 HB3 LEU A 18 6.201 8.423 -36.992 1.00 23.43 H new ATOM 0 HG LEU A 18 7.376 7.033 -38.862 1.00 32.34 H new ATOM 0 HD11 LEU A 18 8.735 8.995 -39.471 1.00 64.43 H new ATOM 0 HD12 LEU A 18 7.122 9.466 -38.882 1.00 64.43 H new ATOM 0 HD13 LEU A 18 8.541 9.636 -37.822 1.00 64.43 H new ATOM 0 HD21 LEU A 18 9.827 6.952 -38.622 1.00 24.32 H new ATOM 0 HD22 LEU A 18 9.676 7.513 -36.939 1.00 24.32 H new ATOM 0 HD23 LEU A 18 9.011 5.932 -37.413 1.00 24.32 H new ATOM 295 N PRO A 19 9.764 8.965 -35.139 1.00 45.10 N ATOM 296 CA PRO A 19 10.723 10.074 -35.133 1.00 24.20 C ATOM 297 C PRO A 19 11.133 10.494 -36.541 1.00 32.15 C ATOM 298 O PRO A 19 11.224 9.664 -37.444 1.00 61.42 O ATOM 299 CB PRO A 19 11.924 9.501 -34.376 1.00 33.54 C ATOM 300 CG PRO A 19 11.827 8.027 -34.572 1.00 70.12 C ATOM 301 CD PRO A 19 10.358 7.714 -34.639 1.00 32.43 C ATOM 0 HA PRO A 19 10.304 10.972 -34.679 1.00 24.20 H new ATOM 0 HB2 PRO A 19 12.863 9.892 -34.769 1.00 33.54 H new ATOM 0 HB3 PRO A 19 11.887 9.763 -33.319 1.00 33.54 H new ATOM 0 HG2 PRO A 19 12.333 7.721 -35.487 1.00 70.12 H new ATOM 0 HG3 PRO A 19 12.303 7.492 -33.750 1.00 70.12 H new ATOM 0 HD2 PRO A 19 10.156 6.878 -35.308 1.00 32.43 H new ATOM 0 HD3 PRO A 19 9.960 7.443 -33.661 1.00 32.43 H new ATOM 309 N ALA A 20 11.379 11.788 -36.719 1.00 35.30 N ATOM 310 CA ALA A 20 11.781 12.317 -38.016 1.00 53.02 C ATOM 311 C ALA A 20 12.034 13.819 -37.942 1.00 22.14 C ATOM 312 O ALA A 20 13.180 14.268 -37.980 1.00 50.24 O ATOM 313 CB ALA A 20 10.720 12.010 -39.063 1.00 44.12 C ATOM 0 H ALA A 20 11.307 12.489 -35.981 1.00 35.30 H new ATOM 0 HA ALA A 20 12.713 11.832 -38.305 1.00 53.02 H new ATOM 0 HB1 ALA A 20 11.033 12.411 -40.027 1.00 44.12 H new ATOM 0 HB2 ALA A 20 10.590 10.931 -39.144 1.00 44.12 H new ATOM 0 HB3 ALA A 20 9.776 12.468 -38.769 1.00 44.12 H new ATOM 319 N CYS A 21 10.958 14.591 -37.835 1.00 41.22 N ATOM 320 CA CYS A 21 11.063 16.043 -37.756 1.00 41.14 C ATOM 321 C CYS A 21 10.608 16.548 -36.390 1.00 51.12 C ATOM 322 O CYS A 21 11.018 17.620 -35.945 1.00 60.42 O ATOM 323 CB CYS A 21 10.227 16.696 -38.858 1.00 53.44 C ATOM 324 SG CYS A 21 10.743 18.393 -39.277 1.00 72.40 S ATOM 0 H CYS A 21 10.003 14.235 -37.801 1.00 41.22 H new ATOM 0 HA CYS A 21 12.110 16.315 -37.894 1.00 41.14 H new ATOM 0 HB2 CYS A 21 10.282 16.079 -39.755 1.00 53.44 H new ATOM 0 HB3 CYS A 21 9.183 16.712 -38.546 1.00 53.44 H new ATOM 329 N MET A 22 9.758 15.768 -35.730 1.00 50.14 N ATOM 330 CA MET A 22 9.248 16.135 -34.414 1.00 42.44 C ATOM 331 C MET A 22 8.556 14.950 -33.749 1.00 63.11 C ATOM 332 O MET A 22 8.668 13.814 -34.211 1.00 73.14 O ATOM 333 CB MET A 22 8.274 17.310 -34.531 1.00 25.34 C ATOM 334 CG MET A 22 8.686 18.523 -33.713 1.00 14.23 C ATOM 335 SD MET A 22 7.414 19.034 -32.541 1.00 51.51 S ATOM 336 CE MET A 22 8.198 20.459 -31.790 1.00 64.21 C ATOM 0 H MET A 22 9.408 14.878 -36.085 1.00 50.14 H new ATOM 0 HA MET A 22 10.094 16.433 -33.794 1.00 42.44 H new ATOM 0 HB2 MET A 22 8.191 17.599 -35.579 1.00 25.34 H new ATOM 0 HB3 MET A 22 7.284 16.985 -34.210 1.00 25.34 H new ATOM 0 HG2 MET A 22 9.604 18.296 -33.171 1.00 14.23 H new ATOM 0 HG3 MET A 22 8.909 19.351 -34.385 1.00 14.23 H new ATOM 0 HE1 MET A 22 7.533 20.887 -31.040 1.00 64.21 H new ATOM 0 HE2 MET A 22 9.130 20.153 -31.315 1.00 64.21 H new ATOM 0 HE3 MET A 22 8.409 21.205 -32.557 1.00 64.21 H new ATOM 346 N HIS A 23 7.842 15.221 -32.661 1.00 41.33 N ATOM 347 CA HIS A 23 7.132 14.176 -31.933 1.00 12.34 C ATOM 348 C HIS A 23 5.749 13.939 -32.533 1.00 64.11 C ATOM 349 O HIS A 23 4.845 14.757 -32.372 1.00 55.02 O ATOM 350 CB HIS A 23 7.002 14.553 -30.456 1.00 73.25 C ATOM 351 CG HIS A 23 8.221 14.234 -29.647 1.00 41.23 C ATOM 352 ND1 HIS A 23 8.169 13.878 -28.316 1.00 61.43 N ATOM 353 CD2 HIS A 23 9.531 14.218 -29.989 1.00 12.23 C ATOM 354 CE1 HIS A 23 9.394 13.658 -27.874 1.00 21.25 C ATOM 355 NE2 HIS A 23 10.239 13.857 -28.869 1.00 1.20 N ATOM 0 H HIS A 23 7.740 16.155 -32.264 1.00 41.33 H new ATOM 0 HA HIS A 23 7.708 13.254 -32.016 1.00 12.34 H new ATOM 0 HB2 HIS A 23 6.794 15.620 -30.379 1.00 73.25 H new ATOM 0 HB3 HIS A 23 6.146 14.030 -30.030 1.00 73.25 H new ATOM 0 HD2 HIS A 23 9.942 14.446 -30.961 1.00 12.23 H new ATOM 0 HE1 HIS A 23 9.660 13.365 -26.869 1.00 21.25 H new ATOM 0 HE2 HIS A 23 11.253 13.759 -28.815 1.00 1.20 H new ATOM 363 N GLU A 24 5.595 12.815 -33.226 1.00 23.34 N ATOM 364 CA GLU A 24 4.323 12.472 -33.851 1.00 64.20 C ATOM 365 C GLU A 24 3.833 11.107 -33.375 1.00 4.30 C ATOM 366 O GLU A 24 4.589 10.334 -32.786 1.00 21.32 O ATOM 367 CB GLU A 24 4.462 12.473 -35.375 1.00 24.12 C ATOM 368 CG GLU A 24 5.645 11.662 -35.879 1.00 15.22 C ATOM 369 CD GLU A 24 5.927 11.895 -37.350 1.00 75.14 C ATOM 370 OE1 GLU A 24 5.245 11.270 -38.190 1.00 51.43 O ATOM 371 OE2 GLU A 24 6.828 12.700 -37.662 1.00 41.43 O ATOM 0 H GLU A 24 6.335 12.127 -33.369 1.00 23.34 H new ATOM 0 HA GLU A 24 3.590 13.224 -33.559 1.00 64.20 H new ATOM 0 HB2 GLU A 24 3.547 12.077 -35.815 1.00 24.12 H new ATOM 0 HB3 GLU A 24 4.563 13.501 -35.722 1.00 24.12 H new ATOM 0 HG2 GLU A 24 6.531 11.919 -35.298 1.00 15.22 H new ATOM 0 HG3 GLU A 24 5.451 10.602 -35.713 1.00 15.22 H new ATOM 378 N THR A 25 2.562 10.818 -33.634 1.00 51.21 N ATOM 379 CA THR A 25 1.969 9.549 -33.231 1.00 42.14 C ATOM 380 C THR A 25 0.909 9.097 -34.228 1.00 73.55 C ATOM 381 O THR A 25 0.433 9.886 -35.045 1.00 70.44 O ATOM 382 CB THR A 25 1.334 9.645 -31.831 1.00 72.15 C ATOM 383 OG1 THR A 25 2.123 10.495 -30.992 1.00 42.23 O ATOM 384 CG2 THR A 25 1.213 8.268 -31.197 1.00 22.24 C ATOM 0 H THR A 25 1.923 11.446 -34.121 1.00 51.21 H new ATOM 0 HA THR A 25 2.776 8.817 -33.206 1.00 42.14 H new ATOM 0 HB THR A 25 0.335 10.068 -31.937 1.00 72.15 H new ATOM 0 HG1 THR A 25 1.711 10.552 -30.104 1.00 42.23 H new ATOM 0 HG21 THR A 25 0.762 8.361 -30.209 1.00 22.24 H new ATOM 0 HG22 THR A 25 0.587 7.633 -31.824 1.00 22.24 H new ATOM 0 HG23 THR A 25 2.203 7.822 -31.103 1.00 22.24 H new ATOM 392 N CYS A 26 0.541 7.822 -34.156 1.00 63.44 N ATOM 393 CA CYS A 26 -0.464 7.263 -35.053 1.00 1.14 C ATOM 394 C CYS A 26 -1.128 6.039 -34.429 1.00 72.24 C ATOM 395 O CYS A 26 -0.487 5.268 -33.716 1.00 30.52 O ATOM 396 CB CYS A 26 0.171 6.886 -36.393 1.00 33.13 C ATOM 397 SG CYS A 26 -1.020 6.737 -37.763 1.00 70.33 S ATOM 0 H CYS A 26 0.924 7.156 -33.485 1.00 63.44 H new ATOM 0 HA CYS A 26 -1.228 8.022 -35.222 1.00 1.14 H new ATOM 0 HB2 CYS A 26 0.917 7.637 -36.654 1.00 33.13 H new ATOM 0 HB3 CYS A 26 0.699 5.939 -36.279 1.00 33.13 H new ATOM 402 N SER A 27 -2.417 5.867 -34.705 1.00 13.53 N ATOM 403 CA SER A 27 -3.170 4.739 -34.169 1.00 10.53 C ATOM 404 C SER A 27 -4.502 4.580 -34.896 1.00 2.40 C ATOM 405 O SER A 27 -5.319 5.499 -34.926 1.00 51.31 O ATOM 406 CB SER A 27 -3.414 4.928 -32.670 1.00 63.41 C ATOM 407 OG SER A 27 -3.912 3.739 -32.081 1.00 54.13 O ATOM 0 H SER A 27 -2.962 6.494 -35.297 1.00 13.53 H new ATOM 0 HA SER A 27 -2.581 3.835 -34.323 1.00 10.53 H new ATOM 0 HB2 SER A 27 -2.484 5.218 -32.181 1.00 63.41 H new ATOM 0 HB3 SER A 27 -4.124 5.740 -32.513 1.00 63.41 H new ATOM 0 HG SER A 27 -4.891 3.740 -32.119 1.00 54.13 H new ATOM 413 N GLY A 28 -4.712 3.405 -35.482 1.00 14.41 N ATOM 414 CA GLY A 28 -5.946 3.146 -36.202 1.00 24.15 C ATOM 415 C GLY A 28 -6.481 1.750 -35.949 1.00 53.55 C ATOM 416 O GLY A 28 -6.689 0.979 -36.885 1.00 53.42 O ATOM 0 H GLY A 28 -4.051 2.629 -35.471 1.00 14.41 H new ATOM 0 HA2 GLY A 28 -6.697 3.879 -35.906 1.00 24.15 H new ATOM 0 HA3 GLY A 28 -5.775 3.278 -37.270 1.00 24.15 H new ATOM 420 N GLY A 29 -6.704 1.424 -34.680 1.00 20.21 N ATOM 421 CA GLY A 29 -7.215 0.111 -34.330 1.00 42.33 C ATOM 422 C GLY A 29 -8.252 0.168 -33.226 1.00 60.03 C ATOM 423 O GLY A 29 -9.408 -0.204 -33.431 1.00 2.24 O ATOM 0 H GLY A 29 -6.540 2.045 -33.888 1.00 20.21 H new ATOM 0 HA2 GLY A 29 -7.655 -0.352 -35.214 1.00 42.33 H new ATOM 0 HA3 GLY A 29 -6.388 -0.525 -34.015 1.00 42.33 H new ATOM 427 N PHE A 30 -7.839 0.633 -32.052 1.00 21.11 N ATOM 428 CA PHE A 30 -8.740 0.734 -30.910 1.00 12.40 C ATOM 429 C PHE A 30 -8.766 2.158 -30.363 1.00 13.45 C ATOM 430 O PHE A 30 -9.809 2.651 -29.932 1.00 73.43 O ATOM 431 CB PHE A 30 -8.315 -0.240 -29.809 1.00 44.53 C ATOM 432 CG PHE A 30 -9.077 -0.065 -28.527 1.00 5.33 C ATOM 433 CD1 PHE A 30 -10.276 -0.727 -28.322 1.00 72.24 C ATOM 434 CD2 PHE A 30 -8.593 0.762 -27.525 1.00 61.43 C ATOM 435 CE1 PHE A 30 -10.980 -0.567 -27.144 1.00 24.45 C ATOM 436 CE2 PHE A 30 -9.292 0.925 -26.344 1.00 23.01 C ATOM 437 CZ PHE A 30 -10.486 0.259 -26.153 1.00 31.34 C ATOM 0 H PHE A 30 -6.886 0.946 -31.866 1.00 21.11 H new ATOM 0 HA PHE A 30 -9.744 0.474 -31.247 1.00 12.40 H new ATOM 0 HB2 PHE A 30 -8.450 -1.261 -30.166 1.00 44.53 H new ATOM 0 HB3 PHE A 30 -7.251 -0.110 -29.611 1.00 44.53 H new ATOM 0 HD1 PHE A 30 -10.665 -1.376 -29.092 1.00 72.24 H new ATOM 0 HD2 PHE A 30 -7.659 1.285 -27.669 1.00 61.43 H new ATOM 0 HE1 PHE A 30 -11.915 -1.087 -26.998 1.00 24.45 H new ATOM 0 HE2 PHE A 30 -8.905 1.573 -25.571 1.00 23.01 H new ATOM 0 HZ PHE A 30 -11.033 0.384 -25.230 1.00 31.34 H new ATOM 447 N SER A 31 -7.611 2.815 -30.382 1.00 25.43 N ATOM 448 CA SER A 31 -7.499 4.181 -29.884 1.00 23.55 C ATOM 449 C SER A 31 -7.959 5.183 -30.938 1.00 33.34 C ATOM 450 O SER A 31 -8.632 6.166 -30.624 1.00 43.25 O ATOM 451 CB SER A 31 -6.055 4.480 -29.475 1.00 11.21 C ATOM 452 OG SER A 31 -5.905 4.439 -28.066 1.00 63.25 O ATOM 0 H SER A 31 -6.739 2.423 -30.737 1.00 25.43 H new ATOM 0 HA SER A 31 -8.144 4.277 -29.011 1.00 23.55 H new ATOM 0 HB2 SER A 31 -5.385 3.754 -29.936 1.00 11.21 H new ATOM 0 HB3 SER A 31 -5.765 5.463 -29.846 1.00 11.21 H new ATOM 0 HG SER A 31 -4.973 4.632 -27.830 1.00 63.25 H new ATOM 458 N LEU A 32 -7.593 4.926 -32.188 1.00 42.35 N ATOM 459 CA LEU A 32 -7.968 5.805 -33.291 1.00 3.00 C ATOM 460 C LEU A 32 -7.526 7.239 -33.019 1.00 5.23 C ATOM 461 O LEU A 32 -8.349 8.115 -32.752 1.00 73.42 O ATOM 462 CB LEU A 32 -9.480 5.759 -33.514 1.00 53.20 C ATOM 463 CG LEU A 32 -10.024 6.671 -34.614 1.00 55.31 C ATOM 464 CD1 LEU A 32 -10.515 5.849 -35.796 1.00 23.35 C ATOM 465 CD2 LEU A 32 -11.143 7.550 -34.073 1.00 43.43 C ATOM 0 H LEU A 32 -7.037 4.117 -32.464 1.00 42.35 H new ATOM 0 HA LEU A 32 -7.463 5.453 -34.191 1.00 3.00 H new ATOM 0 HB2 LEU A 32 -9.761 4.732 -33.749 1.00 53.20 H new ATOM 0 HB3 LEU A 32 -9.973 6.019 -32.577 1.00 53.20 H new ATOM 0 HG LEU A 32 -9.215 7.316 -34.957 1.00 55.31 H new ATOM 0 HD11 LEU A 32 -10.898 6.516 -36.569 1.00 23.35 H new ATOM 0 HD12 LEU A 32 -9.689 5.263 -36.200 1.00 23.35 H new ATOM 0 HD13 LEU A 32 -11.310 5.179 -35.468 1.00 23.35 H new ATOM 0 HD21 LEU A 32 -11.518 8.193 -34.869 1.00 43.43 H new ATOM 0 HD22 LEU A 32 -11.953 6.921 -33.702 1.00 43.43 H new ATOM 0 HD23 LEU A 32 -10.760 8.166 -33.259 1.00 43.43 H new ATOM 477 N LYS A 33 -6.220 7.474 -33.089 1.00 64.25 N ATOM 478 CA LYS A 33 -5.667 8.802 -32.854 1.00 45.34 C ATOM 479 C LYS A 33 -4.378 9.003 -33.646 1.00 52.10 C ATOM 480 O LYS A 33 -3.907 8.091 -34.324 1.00 51.32 O ATOM 481 CB LYS A 33 -5.398 9.009 -31.362 1.00 30.40 C ATOM 482 CG LYS A 33 -6.597 8.704 -30.480 1.00 62.25 C ATOM 483 CD LYS A 33 -6.267 8.886 -29.008 1.00 72.04 C ATOM 484 CE LYS A 33 -6.533 10.312 -28.550 1.00 61.20 C ATOM 485 NZ LYS A 33 -5.543 10.760 -27.532 1.00 12.53 N ATOM 0 H LYS A 33 -5.524 6.761 -33.307 1.00 64.25 H new ATOM 0 HA LYS A 33 -6.398 9.537 -33.190 1.00 45.34 H new ATOM 0 HB2 LYS A 33 -4.565 8.375 -31.060 1.00 30.40 H new ATOM 0 HB3 LYS A 33 -5.089 10.041 -31.197 1.00 30.40 H new ATOM 0 HG2 LYS A 33 -7.425 9.358 -30.752 1.00 62.25 H new ATOM 0 HG3 LYS A 33 -6.928 7.681 -30.656 1.00 62.25 H new ATOM 0 HD2 LYS A 33 -6.862 8.194 -28.412 1.00 72.04 H new ATOM 0 HD3 LYS A 33 -5.220 8.636 -28.835 1.00 72.04 H new ATOM 0 HE2 LYS A 33 -6.499 10.982 -29.409 1.00 61.20 H new ATOM 0 HE3 LYS A 33 -7.538 10.378 -28.133 1.00 61.20 H new ATOM 0 HZ1 LYS A 33 -5.758 11.736 -27.245 1.00 12.53 H new ATOM 0 HZ2 LYS A 33 -5.593 10.136 -26.701 1.00 12.53 H new ATOM 0 HZ3 LYS A 33 -4.586 10.721 -27.938 1.00 12.53 H new ATOM 499 N ASN A 34 -3.813 10.202 -33.553 1.00 41.42 N ATOM 500 CA ASN A 34 -2.578 10.522 -34.260 1.00 51.13 C ATOM 501 C ASN A 34 -2.046 11.887 -33.835 1.00 44.24 C ATOM 502 O ASN A 34 -2.816 12.796 -33.524 1.00 62.05 O ATOM 503 CB ASN A 34 -2.812 10.501 -35.772 1.00 43.33 C ATOM 504 CG ASN A 34 -4.263 10.746 -36.136 1.00 53.44 C ATOM 505 OD1 ASN A 34 -4.889 9.936 -36.820 1.00 22.42 O ATOM 506 ND2 ASN A 34 -4.806 11.869 -35.680 1.00 51.23 N ATOM 0 H ASN A 34 -4.190 10.968 -32.995 1.00 41.42 H new ATOM 0 HA ASN A 34 -1.835 9.767 -34.003 1.00 51.13 H new ATOM 0 HB2 ASN A 34 -2.189 11.261 -36.244 1.00 43.33 H new ATOM 0 HB3 ASN A 34 -2.498 9.537 -36.172 1.00 43.33 H new ATOM 0 HD21 ASN A 34 -5.779 12.088 -35.893 1.00 51.23 H new ATOM 0 HD22 ASN A 34 -4.250 12.512 -35.116 1.00 51.23 H new ATOM 513 N ASP A 35 -0.724 12.024 -33.825 1.00 73.42 N ATOM 514 CA ASP A 35 -0.088 13.278 -33.440 1.00 51.13 C ATOM 515 C ASP A 35 0.651 13.897 -34.622 1.00 43.43 C ATOM 516 O ASP A 35 1.528 13.270 -35.218 1.00 10.34 O ATOM 517 CB ASP A 35 0.882 13.048 -32.280 1.00 74.02 C ATOM 518 CG ASP A 35 0.865 14.185 -31.278 1.00 4.22 C ATOM 519 OD1 ASP A 35 -0.204 14.438 -30.686 1.00 13.34 O ATOM 520 OD2 ASP A 35 1.922 14.823 -31.086 1.00 62.21 O ATOM 0 H ASP A 35 -0.072 11.282 -34.079 1.00 73.42 H new ATOM 0 HA ASP A 35 -0.868 13.969 -33.119 1.00 51.13 H new ATOM 0 HB2 ASP A 35 0.625 12.118 -31.774 1.00 74.02 H new ATOM 0 HB3 ASP A 35 1.892 12.929 -32.673 1.00 74.02 H new ATOM 525 N CYS A 36 0.291 15.132 -34.958 1.00 22.32 N ATOM 526 CA CYS A 36 0.918 15.836 -36.069 1.00 43.34 C ATOM 527 C CYS A 36 2.438 15.823 -35.934 1.00 22.03 C ATOM 528 O CYS A 36 2.978 15.360 -34.928 1.00 53.45 O ATOM 529 CB CYS A 36 0.414 17.279 -36.136 1.00 11.24 C ATOM 530 SG CYS A 36 -0.618 17.640 -37.593 1.00 31.03 S ATOM 0 H CYS A 36 -0.432 15.665 -34.476 1.00 22.32 H new ATOM 0 HA CYS A 36 0.648 15.320 -36.991 1.00 43.34 H new ATOM 0 HB2 CYS A 36 -0.161 17.494 -35.235 1.00 11.24 H new ATOM 0 HB3 CYS A 36 1.271 17.952 -36.136 1.00 11.24 H new ATOM 0 HG CYS A 36 -1.332 16.595 -37.889 1.00 31.03 H new ATOM 535 N TRP A 37 3.122 16.333 -36.952 1.00 13.45 N ATOM 536 CA TRP A 37 4.579 16.380 -36.946 1.00 4.50 C ATOM 537 C TRP A 37 5.078 17.820 -37.012 1.00 32.12 C ATOM 538 O TRP A 37 4.290 18.764 -36.944 1.00 30.14 O ATOM 539 CB TRP A 37 5.141 15.579 -38.122 1.00 15.22 C ATOM 540 CG TRP A 37 4.559 15.979 -39.444 1.00 71.52 C ATOM 541 CD1 TRP A 37 3.300 15.711 -39.900 1.00 73.31 C ATOM 542 CD2 TRP A 37 5.215 16.716 -40.482 1.00 21.45 C ATOM 543 NE1 TRP A 37 3.134 16.237 -41.159 1.00 34.15 N ATOM 544 CE2 TRP A 37 4.294 16.859 -41.537 1.00 54.13 C ATOM 545 CE3 TRP A 37 6.490 17.270 -40.621 1.00 2.05 C ATOM 546 CZ2 TRP A 37 4.610 17.533 -42.714 1.00 74.53 C ATOM 547 CZ3 TRP A 37 6.802 17.938 -41.789 1.00 63.13 C ATOM 548 CH2 TRP A 37 5.865 18.065 -42.823 1.00 43.34 C ATOM 0 H TRP A 37 2.691 16.720 -37.792 1.00 13.45 H new ATOM 0 HA TRP A 37 4.928 15.936 -36.013 1.00 4.50 H new ATOM 0 HB2 TRP A 37 6.223 15.707 -38.156 1.00 15.22 H new ATOM 0 HB3 TRP A 37 4.950 14.519 -37.955 1.00 15.22 H new ATOM 0 HD1 TRP A 37 2.546 15.166 -39.352 1.00 73.31 H new ATOM 0 HE1 TRP A 37 2.285 16.174 -41.721 1.00 34.15 H new ATOM 0 HE3 TRP A 37 7.219 17.178 -39.829 1.00 2.05 H new ATOM 0 HZ2 TRP A 37 3.889 17.632 -43.512 1.00 74.53 H new ATOM 0 HZ3 TRP A 37 7.785 18.370 -41.907 1.00 63.13 H new ATOM 0 HH2 TRP A 37 6.139 18.594 -43.724 1.00 43.34 H new ATOM 559 N CYS A 38 6.390 17.982 -37.145 1.00 30.21 N ATOM 560 CA CYS A 38 6.994 19.307 -37.220 1.00 31.52 C ATOM 561 C CYS A 38 6.271 20.177 -38.244 1.00 63.42 C ATOM 562 O CYS A 38 5.703 19.672 -39.213 1.00 13.10 O ATOM 563 CB CYS A 38 8.476 19.195 -37.584 1.00 34.40 C ATOM 564 SG CYS A 38 8.820 19.381 -39.363 1.00 41.11 S ATOM 0 H CYS A 38 7.056 17.212 -37.203 1.00 30.21 H new ATOM 0 HA CYS A 38 6.902 19.777 -36.241 1.00 31.52 H new ATOM 0 HB2 CYS A 38 9.032 19.955 -37.036 1.00 34.40 H new ATOM 0 HB3 CYS A 38 8.849 18.226 -37.252 1.00 34.40 H new ATOM 569 N CYS A 39 6.298 21.487 -38.023 1.00 70.33 N ATOM 570 CA CYS A 39 5.646 22.428 -38.926 1.00 2.24 C ATOM 571 C CYS A 39 6.506 22.683 -40.160 1.00 64.21 C ATOM 572 O CYS A 39 7.470 21.960 -40.419 1.00 10.41 O ATOM 573 CB CYS A 39 5.367 23.748 -38.204 1.00 53.12 C ATOM 574 SG CYS A 39 3.619 24.262 -38.244 1.00 65.13 S ATOM 0 H CYS A 39 6.764 21.921 -37.226 1.00 70.33 H new ATOM 0 HA CYS A 39 4.701 21.990 -39.248 1.00 2.24 H new ATOM 0 HB2 CYS A 39 5.684 23.656 -37.165 1.00 53.12 H new ATOM 0 HB3 CYS A 39 5.976 24.532 -38.654 1.00 53.12 H new ATOM 579 N LEU A 40 6.152 23.714 -40.919 1.00 10.25 N ATOM 580 CA LEU A 40 6.891 24.066 -42.126 1.00 61.42 C ATOM 581 C LEU A 40 8.392 24.097 -41.856 1.00 40.13 C ATOM 582 O LEU A 40 9.126 23.200 -42.271 1.00 43.33 O ATOM 583 CB LEU A 40 6.428 25.424 -42.654 1.00 53.43 C ATOM 584 CG LEU A 40 5.602 25.398 -43.941 1.00 43.42 C ATOM 585 CD1 LEU A 40 5.116 26.796 -44.292 1.00 43.00 C ATOM 586 CD2 LEU A 40 6.417 24.812 -45.085 1.00 54.03 C ATOM 0 H LEU A 40 5.357 24.321 -40.720 1.00 10.25 H new ATOM 0 HA LEU A 40 6.692 23.304 -42.879 1.00 61.42 H new ATOM 0 HB2 LEU A 40 5.839 25.911 -41.877 1.00 53.43 H new ATOM 0 HB3 LEU A 40 7.308 26.045 -42.823 1.00 53.43 H new ATOM 0 HG LEU A 40 4.731 24.763 -43.779 1.00 43.42 H new ATOM 0 HD11 LEU A 40 4.530 26.758 -45.210 1.00 43.00 H new ATOM 0 HD12 LEU A 40 4.496 27.180 -43.482 1.00 43.00 H new ATOM 0 HD13 LEU A 40 5.973 27.454 -44.436 1.00 43.00 H new ATOM 0 HD21 LEU A 40 5.814 24.801 -45.993 1.00 54.03 H new ATOM 0 HD22 LEU A 40 7.306 25.421 -45.247 1.00 54.03 H new ATOM 0 HD23 LEU A 40 6.715 23.794 -44.835 1.00 54.03 H new ATOM 598 N ARG A 41 8.841 25.134 -41.157 1.00 15.33 N ATOM 599 CA ARG A 41 10.254 25.282 -40.830 1.00 73.13 C ATOM 600 C ARG A 41 10.435 26.110 -39.561 1.00 70.33 C ATOM 601 O ARG A 41 9.511 26.790 -39.114 1.00 32.14 O ATOM 602 CB ARG A 41 11.001 25.939 -41.992 1.00 4.21 C ATOM 603 CG ARG A 41 10.627 27.396 -42.211 1.00 0.04 C ATOM 604 CD ARG A 41 9.908 27.593 -43.536 1.00 0.51 C ATOM 605 NE ARG A 41 10.773 27.305 -44.676 1.00 45.24 N ATOM 606 CZ ARG A 41 11.743 28.116 -45.087 1.00 35.31 C ATOM 607 NH1 ARG A 41 11.969 29.258 -44.453 1.00 52.12 N ATOM 608 NH2 ARG A 41 12.488 27.784 -46.133 1.00 60.32 N ATOM 0 H ARG A 41 8.246 25.885 -40.806 1.00 15.33 H new ATOM 0 HA ARG A 41 10.667 24.289 -40.656 1.00 73.13 H new ATOM 0 HB2 ARG A 41 12.073 25.872 -41.808 1.00 4.21 H new ATOM 0 HB3 ARG A 41 10.799 25.380 -42.905 1.00 4.21 H new ATOM 0 HG2 ARG A 41 9.989 27.736 -41.395 1.00 0.04 H new ATOM 0 HG3 ARG A 41 11.527 28.011 -42.189 1.00 0.04 H new ATOM 0 HD2 ARG A 41 9.032 26.945 -43.573 1.00 0.51 H new ATOM 0 HD3 ARG A 41 9.548 28.620 -43.604 1.00 0.51 H new ATOM 0 HE ARG A 41 10.625 26.434 -45.185 1.00 45.24 H new ATOM 0 HH11 ARG A 41 11.398 29.516 -43.648 1.00 52.12 H new ATOM 0 HH12 ARG A 41 12.714 29.879 -44.770 1.00 52.12 H new ATOM 0 HH21 ARG A 41 12.317 26.906 -46.623 1.00 60.32 H new ATOM 0 HH22 ARG A 41 13.232 28.407 -46.448 1.00 60.32 H new ATOM 622 N LEU A 42 11.631 26.047 -38.986 1.00 73.21 N ATOM 623 CA LEU A 42 11.934 26.790 -37.768 1.00 12.11 C ATOM 624 C LEU A 42 13.437 26.821 -37.509 1.00 14.14 C ATOM 625 O LEU A 42 14.159 25.891 -37.867 1.00 30.20 O ATOM 626 CB LEU A 42 11.211 26.166 -36.573 1.00 23.41 C ATOM 627 CG LEU A 42 10.996 24.653 -36.634 1.00 61.03 C ATOM 628 CD1 LEU A 42 11.305 24.015 -35.289 1.00 35.13 C ATOM 629 CD2 LEU A 42 9.572 24.334 -37.064 1.00 34.11 C ATOM 0 H LEU A 42 12.406 25.489 -39.344 1.00 73.21 H new ATOM 0 HA LEU A 42 11.586 27.814 -37.900 1.00 12.11 H new ATOM 0 HB2 LEU A 42 11.777 26.396 -35.671 1.00 23.41 H new ATOM 0 HB3 LEU A 42 10.238 26.647 -36.471 1.00 23.41 H new ATOM 0 HG LEU A 42 11.679 24.238 -37.375 1.00 61.03 H new ATOM 0 HD11 LEU A 42 11.146 22.938 -35.352 1.00 35.13 H new ATOM 0 HD12 LEU A 42 12.343 24.214 -35.022 1.00 35.13 H new ATOM 0 HD13 LEU A 42 10.648 24.435 -34.528 1.00 35.13 H new ATOM 0 HD21 LEU A 42 9.437 23.253 -37.102 1.00 34.11 H new ATOM 0 HD22 LEU A 42 8.871 24.762 -36.348 1.00 34.11 H new ATOM 0 HD23 LEU A 42 9.386 24.758 -38.051 1.00 34.11 H new ATOM 641 N LYS A 43 13.901 27.896 -36.882 1.00 3.45 N ATOM 642 CA LYS A 43 15.318 28.049 -36.570 1.00 74.40 C ATOM 643 C LYS A 43 15.633 27.494 -35.184 1.00 55.52 C ATOM 644 O LYS A 43 16.648 26.826 -34.987 1.00 74.41 O ATOM 645 CB LYS A 43 15.722 29.523 -36.645 1.00 71.35 C ATOM 646 CG LYS A 43 14.965 30.411 -35.674 1.00 4.45 C ATOM 647 CD LYS A 43 14.748 31.803 -36.244 1.00 3.14 C ATOM 648 CE LYS A 43 15.914 32.726 -35.921 1.00 71.51 C ATOM 649 NZ LYS A 43 15.977 33.886 -36.852 1.00 70.14 N ATOM 0 H LYS A 43 13.316 28.675 -36.579 1.00 3.45 H new ATOM 0 HA LYS A 43 15.890 27.484 -37.307 1.00 74.40 H new ATOM 0 HB2 LYS A 43 16.790 29.609 -36.446 1.00 71.35 H new ATOM 0 HB3 LYS A 43 15.557 29.885 -37.660 1.00 71.35 H new ATOM 0 HG2 LYS A 43 14.001 29.958 -35.441 1.00 4.45 H new ATOM 0 HG3 LYS A 43 15.518 30.482 -34.738 1.00 4.45 H new ATOM 0 HD2 LYS A 43 14.622 31.739 -37.325 1.00 3.14 H new ATOM 0 HD3 LYS A 43 13.827 32.223 -35.840 1.00 3.14 H new ATOM 0 HE2 LYS A 43 15.819 33.087 -34.897 1.00 71.51 H new ATOM 0 HE3 LYS A 43 16.847 32.165 -35.976 1.00 71.51 H new ATOM 0 HZ1 LYS A 43 16.784 34.491 -36.599 1.00 70.14 H new ATOM 0 HZ2 LYS A 43 16.094 33.543 -37.827 1.00 70.14 H new ATOM 0 HZ3 LYS A 43 15.097 34.436 -36.781 1.00 70.14 H new ATOM 663 N THR A 44 14.755 27.776 -34.226 1.00 20.42 N ATOM 664 CA THR A 44 14.939 27.305 -32.859 1.00 3.12 C ATOM 665 C THR A 44 13.794 26.394 -32.432 1.00 1.33 C ATOM 666 O THR A 44 13.998 25.424 -31.702 1.00 73.30 O ATOM 667 CB THR A 44 15.042 28.481 -31.869 1.00 74.00 C ATOM 668 OG1 THR A 44 15.528 28.016 -30.605 1.00 11.31 O ATOM 669 CG2 THR A 44 13.688 29.151 -31.683 1.00 24.55 C ATOM 0 H THR A 44 13.910 28.328 -34.372 1.00 20.42 H new ATOM 0 HA THR A 44 15.872 26.742 -32.842 1.00 3.12 H new ATOM 0 HB THR A 44 15.739 29.213 -32.278 1.00 74.00 H new ATOM 0 HG1 THR A 44 15.592 28.770 -29.982 1.00 11.31 H new ATOM 0 HG21 THR A 44 13.785 29.978 -30.980 1.00 24.55 H new ATOM 0 HG22 THR A 44 13.334 29.529 -32.642 1.00 24.55 H new ATOM 0 HG23 THR A 44 12.974 28.426 -31.294 1.00 24.55 H new ATOM 677 N LYS A 45 12.589 26.712 -32.891 1.00 54.31 N ATOM 678 CA LYS A 45 11.409 25.922 -32.559 1.00 25.44 C ATOM 679 C LYS A 45 10.171 26.469 -33.261 1.00 43.15 C ATOM 680 O LYS A 45 9.266 25.716 -33.618 1.00 32.20 O ATOM 681 CB LYS A 45 11.187 25.912 -31.045 1.00 30.25 C ATOM 682 CG LYS A 45 10.511 27.167 -30.521 1.00 2.21 C ATOM 683 CD LYS A 45 10.535 27.222 -29.003 1.00 23.44 C ATOM 684 CE LYS A 45 11.605 28.177 -28.496 1.00 51.10 C ATOM 685 NZ LYS A 45 11.371 28.571 -27.079 1.00 54.22 N ATOM 0 H LYS A 45 12.403 27.513 -33.495 1.00 54.31 H new ATOM 0 HA LYS A 45 11.578 24.902 -32.903 1.00 25.44 H new ATOM 0 HB2 LYS A 45 10.581 25.046 -30.781 1.00 30.25 H new ATOM 0 HB3 LYS A 45 12.149 25.792 -30.546 1.00 30.25 H new ATOM 0 HG2 LYS A 45 11.012 28.047 -30.926 1.00 2.21 H new ATOM 0 HG3 LYS A 45 9.479 27.198 -30.871 1.00 2.21 H new ATOM 0 HD2 LYS A 45 9.559 27.538 -28.634 1.00 23.44 H new ATOM 0 HD3 LYS A 45 10.718 26.224 -28.605 1.00 23.44 H new ATOM 0 HE2 LYS A 45 12.584 27.706 -28.585 1.00 51.10 H new ATOM 0 HE3 LYS A 45 11.622 29.069 -29.123 1.00 51.10 H new ATOM 0 HZ1 LYS A 45 12.121 29.222 -26.771 1.00 54.22 H new ATOM 0 HZ2 LYS A 45 10.448 29.043 -26.998 1.00 54.22 H new ATOM 0 HZ3 LYS A 45 11.380 27.723 -26.477 1.00 54.22 H new ATOM 699 N GLN A 46 10.141 27.783 -33.458 1.00 55.21 N ATOM 700 CA GLN A 46 9.013 28.430 -34.119 1.00 63.14 C ATOM 701 C GLN A 46 9.496 29.473 -35.121 1.00 52.55 C ATOM 702 O GLN A 46 10.471 30.182 -34.873 1.00 54.32 O ATOM 703 CB GLN A 46 8.095 29.084 -33.085 1.00 44.45 C ATOM 704 CG GLN A 46 8.800 30.104 -32.205 1.00 62.21 C ATOM 705 CD GLN A 46 8.164 30.230 -30.835 1.00 3.23 C ATOM 706 OE1 GLN A 46 8.854 30.230 -29.815 1.00 4.11 O ATOM 707 NE2 GLN A 46 6.841 30.339 -30.804 1.00 2.15 N ATOM 0 H GLN A 46 10.884 28.420 -33.170 1.00 55.21 H new ATOM 0 HA GLN A 46 8.453 27.666 -34.659 1.00 63.14 H new ATOM 0 HB2 GLN A 46 7.269 29.572 -33.602 1.00 44.45 H new ATOM 0 HB3 GLN A 46 7.662 28.308 -32.453 1.00 44.45 H new ATOM 0 HG2 GLN A 46 9.846 29.819 -32.091 1.00 62.21 H new ATOM 0 HG3 GLN A 46 8.786 31.076 -32.699 1.00 62.21 H new ATOM 0 HE21 GLN A 46 6.308 30.334 -31.674 1.00 2.15 H new ATOM 0 HE22 GLN A 46 6.357 30.427 -29.910 1.00 2.15 H new ATOM 716 N ALA A 47 8.807 29.562 -36.254 1.00 72.55 N ATOM 717 CA ALA A 47 9.164 30.520 -37.293 1.00 61.53 C ATOM 718 C ALA A 47 8.135 30.518 -38.419 1.00 24.10 C ATOM 719 O ALA A 47 7.346 31.453 -38.552 1.00 74.22 O ATOM 720 CB ALA A 47 10.550 30.211 -37.841 1.00 54.44 C ATOM 0 H ALA A 47 7.998 28.982 -36.476 1.00 72.55 H new ATOM 0 HA ALA A 47 9.174 31.515 -36.848 1.00 61.53 H new ATOM 0 HB1 ALA A 47 10.804 30.934 -38.616 1.00 54.44 H new ATOM 0 HB2 ALA A 47 11.282 30.271 -37.035 1.00 54.44 H new ATOM 0 HB3 ALA A 47 10.558 29.207 -38.265 1.00 54.44 H new ATOM 726 N ARG A 48 8.151 29.463 -39.227 1.00 31.20 N ATOM 727 CA ARG A 48 7.220 29.341 -40.343 1.00 3.14 C ATOM 728 C ARG A 48 6.391 28.066 -40.222 1.00 61.23 C ATOM 729 O ARG A 48 6.934 26.961 -40.181 1.00 12.24 O ATOM 730 CB ARG A 48 7.980 29.345 -41.671 1.00 14.04 C ATOM 731 CG ARG A 48 7.503 30.413 -42.641 1.00 44.33 C ATOM 732 CD ARG A 48 6.021 30.268 -42.946 1.00 14.10 C ATOM 733 NE ARG A 48 5.754 30.270 -44.382 1.00 0.42 N ATOM 734 CZ ARG A 48 4.559 30.515 -44.907 1.00 13.20 C ATOM 735 NH1 ARG A 48 3.525 30.777 -44.118 1.00 64.44 N ATOM 736 NH2 ARG A 48 4.395 30.499 -46.224 1.00 3.43 N ATOM 0 H ARG A 48 8.798 28.681 -39.130 1.00 31.20 H new ATOM 0 HA ARG A 48 6.545 30.196 -40.316 1.00 3.14 H new ATOM 0 HB2 ARG A 48 9.041 29.494 -41.472 1.00 14.04 H new ATOM 0 HB3 ARG A 48 7.878 28.367 -42.141 1.00 14.04 H new ATOM 0 HG2 ARG A 48 7.694 31.400 -42.219 1.00 44.33 H new ATOM 0 HG3 ARG A 48 8.074 30.346 -43.567 1.00 44.33 H new ATOM 0 HD2 ARG A 48 5.650 29.340 -42.510 1.00 14.10 H new ATOM 0 HD3 ARG A 48 5.473 31.083 -42.474 1.00 14.10 H new ATOM 0 HE ARG A 48 6.528 30.072 -45.016 1.00 0.42 H new ATOM 0 HH11 ARG A 48 3.647 30.791 -43.105 1.00 64.44 H new ATOM 0 HH12 ARG A 48 2.608 30.965 -44.524 1.00 64.44 H new ATOM 0 HH21 ARG A 48 5.187 30.298 -46.834 1.00 3.43 H new ATOM 0 HH22 ARG A 48 3.477 30.687 -46.626 1.00 3.43 H new ATOM 750 N CYS A 49 5.073 28.226 -40.166 1.00 42.33 N ATOM 751 CA CYS A 49 4.168 27.089 -40.050 1.00 2.33 C ATOM 752 C CYS A 49 3.377 26.890 -41.339 1.00 33.40 C ATOM 753 O CYS A 49 3.351 27.764 -42.205 1.00 51.00 O ATOM 754 CB CYS A 49 3.209 27.293 -38.876 1.00 34.25 C ATOM 755 SG CYS A 49 3.295 25.986 -37.610 1.00 31.34 S ATOM 0 H CYS A 49 4.608 29.133 -40.199 1.00 42.33 H new ATOM 0 HA CYS A 49 4.767 26.196 -39.871 1.00 2.33 H new ATOM 0 HB2 CYS A 49 3.425 28.253 -38.407 1.00 34.25 H new ATOM 0 HB3 CYS A 49 2.190 27.347 -39.258 1.00 34.25 H new ATOM 760 N TRP A 50 2.733 25.734 -41.458 1.00 41.11 N ATOM 761 CA TRP A 50 1.940 25.419 -42.641 1.00 45.44 C ATOM 762 C TRP A 50 0.481 25.813 -42.440 1.00 4.23 C ATOM 763 O TRP A 50 -0.178 25.339 -41.515 1.00 32.43 O ATOM 764 CB TRP A 50 2.039 23.928 -42.965 1.00 21.34 C ATOM 765 CG TRP A 50 2.082 23.640 -44.435 1.00 13.01 C ATOM 766 CD1 TRP A 50 1.134 23.967 -45.362 1.00 12.51 C ATOM 767 CD2 TRP A 50 3.125 22.965 -45.146 1.00 71.11 C ATOM 768 NE1 TRP A 50 1.525 23.536 -46.607 1.00 11.53 N ATOM 769 CE2 TRP A 50 2.743 22.919 -46.501 1.00 42.33 C ATOM 770 CE3 TRP A 50 4.345 22.397 -44.771 1.00 20.53 C ATOM 771 CZ2 TRP A 50 3.538 22.327 -47.479 1.00 22.33 C ATOM 772 CZ3 TRP A 50 5.133 21.808 -45.742 1.00 12.51 C ATOM 773 CH2 TRP A 50 4.728 21.778 -47.083 1.00 34.21 C ATOM 0 H TRP A 50 2.744 25.000 -40.750 1.00 41.11 H new ATOM 0 HA TRP A 50 2.339 25.992 -43.478 1.00 45.44 H new ATOM 0 HB2 TRP A 50 2.935 23.521 -42.496 1.00 21.34 H new ATOM 0 HB3 TRP A 50 1.186 23.411 -42.526 1.00 21.34 H new ATOM 0 HD1 TRP A 50 0.212 24.488 -45.148 1.00 12.51 H new ATOM 0 HE1 TRP A 50 0.994 23.656 -47.470 1.00 11.53 H new ATOM 0 HE3 TRP A 50 4.667 22.418 -43.740 1.00 20.53 H new ATOM 0 HZ2 TRP A 50 3.227 22.302 -48.513 1.00 22.33 H new ATOM 0 HZ3 TRP A 50 6.077 21.363 -45.462 1.00 12.51 H new ATOM 0 HH2 TRP A 50 5.367 21.313 -47.819 1.00 34.21 H new ATOM 784 N LYS A 51 -0.018 26.683 -43.311 1.00 0.43 N ATOM 785 CA LYS A 51 -1.400 27.140 -43.230 1.00 12.34 C ATOM 786 C LYS A 51 -2.345 26.135 -43.880 1.00 22.41 C ATOM 787 O LYS A 51 -2.567 26.172 -45.089 1.00 75.35 O ATOM 788 CB LYS A 51 -1.548 28.506 -43.905 1.00 72.41 C ATOM 789 CG LYS A 51 -0.557 29.542 -43.405 1.00 15.44 C ATOM 790 CD LYS A 51 -1.263 30.791 -42.902 1.00 30.31 C ATOM 791 CE LYS A 51 -0.271 31.820 -42.381 1.00 75.21 C ATOM 792 NZ LYS A 51 -0.141 31.764 -40.899 1.00 15.04 N ATOM 0 H LYS A 51 0.515 27.086 -44.082 1.00 0.43 H new ATOM 0 HA LYS A 51 -1.664 27.232 -42.177 1.00 12.34 H new ATOM 0 HB2 LYS A 51 -1.423 28.386 -44.981 1.00 72.41 H new ATOM 0 HB3 LYS A 51 -2.560 28.875 -43.741 1.00 72.41 H new ATOM 0 HG2 LYS A 51 0.044 29.114 -42.603 1.00 15.44 H new ATOM 0 HG3 LYS A 51 0.129 29.809 -44.209 1.00 15.44 H new ATOM 0 HD2 LYS A 51 -1.852 31.227 -43.709 1.00 30.31 H new ATOM 0 HD3 LYS A 51 -1.960 30.522 -42.109 1.00 30.31 H new ATOM 0 HE2 LYS A 51 0.704 31.649 -42.838 1.00 75.21 H new ATOM 0 HE3 LYS A 51 -0.592 32.818 -42.680 1.00 75.21 H new ATOM 0 HZ1 LYS A 51 0.544 32.480 -40.583 1.00 15.04 H new ATOM 0 HZ2 LYS A 51 -1.066 31.953 -40.462 1.00 15.04 H new ATOM 0 HZ3 LYS A 51 0.190 30.820 -40.615 1.00 15.04 H new ATOM 806 N GLU A 52 -2.898 25.238 -43.068 1.00 42.55 N ATOM 807 CA GLU A 52 -3.819 24.224 -43.567 1.00 21.35 C ATOM 808 C GLU A 52 -5.076 24.867 -44.145 1.00 61.14 C ATOM 809 O GLU A 52 -5.844 24.223 -44.861 1.00 45.41 O ATOM 810 CB GLU A 52 -4.199 23.254 -42.446 1.00 20.13 C ATOM 811 CG GLU A 52 -3.012 22.774 -41.627 1.00 40.24 C ATOM 812 CD GLU A 52 -3.020 23.319 -40.212 1.00 52.45 C ATOM 813 OE1 GLU A 52 -2.942 24.555 -40.052 1.00 11.22 O ATOM 814 OE2 GLU A 52 -3.105 22.509 -39.266 1.00 11.33 O ATOM 0 H GLU A 52 -2.724 25.194 -42.064 1.00 42.55 H new ATOM 0 HA GLU A 52 -3.316 23.672 -44.361 1.00 21.35 H new ATOM 0 HB2 GLU A 52 -4.914 23.741 -41.783 1.00 20.13 H new ATOM 0 HB3 GLU A 52 -4.703 22.390 -42.880 1.00 20.13 H new ATOM 0 HG2 GLU A 52 -3.016 21.685 -41.593 1.00 40.24 H new ATOM 0 HG3 GLU A 52 -2.089 23.074 -42.122 1.00 40.24 H new ATOM 821 N LYS A 53 -5.280 26.141 -43.830 1.00 11.33 N ATOM 822 CA LYS A 53 -6.442 26.874 -44.318 1.00 14.14 C ATOM 823 C LYS A 53 -6.283 27.228 -45.793 1.00 21.42 C ATOM 824 O LYS A 53 -7.262 27.285 -46.536 1.00 33.45 O ATOM 825 CB LYS A 53 -6.649 28.149 -43.496 1.00 71.32 C ATOM 826 CG LYS A 53 -5.485 29.121 -43.578 1.00 63.51 C ATOM 827 CD LYS A 53 -5.641 30.263 -42.589 1.00 15.31 C ATOM 828 CE LYS A 53 -5.145 31.577 -43.172 1.00 53.43 C ATOM 829 NZ LYS A 53 -6.002 32.725 -42.763 1.00 20.41 N ATOM 0 H LYS A 53 -4.655 26.688 -43.238 1.00 11.33 H new ATOM 0 HA LYS A 53 -7.316 26.232 -44.209 1.00 14.14 H new ATOM 0 HB2 LYS A 53 -7.554 28.650 -43.839 1.00 71.32 H new ATOM 0 HB3 LYS A 53 -6.811 27.877 -42.453 1.00 71.32 H new ATOM 0 HG2 LYS A 53 -4.553 28.592 -43.380 1.00 63.51 H new ATOM 0 HG3 LYS A 53 -5.415 29.521 -44.589 1.00 63.51 H new ATOM 0 HD2 LYS A 53 -6.689 30.361 -42.308 1.00 15.31 H new ATOM 0 HD3 LYS A 53 -5.087 30.035 -41.678 1.00 15.31 H new ATOM 0 HE2 LYS A 53 -4.120 31.755 -42.846 1.00 53.43 H new ATOM 0 HE3 LYS A 53 -5.126 31.507 -44.260 1.00 53.43 H new ATOM 0 HZ1 LYS A 53 -5.630 33.602 -43.181 1.00 20.41 H new ATOM 0 HZ2 LYS A 53 -6.975 32.568 -43.096 1.00 20.41 H new ATOM 0 HZ3 LYS A 53 -6.000 32.808 -41.726 1.00 20.41 H new ATOM 843 N GLU A 54 -5.043 27.463 -46.210 1.00 23.52 N ATOM 844 CA GLU A 54 -4.757 27.810 -47.597 1.00 23.41 C ATOM 845 C GLU A 54 -4.182 26.613 -48.350 1.00 3.24 C ATOM 846 O GLU A 54 -4.537 26.361 -49.501 1.00 32.40 O ATOM 847 CB GLU A 54 -3.778 28.984 -47.661 1.00 14.34 C ATOM 848 CG GLU A 54 -4.430 30.334 -47.409 1.00 73.34 C ATOM 849 CD GLU A 54 -5.028 30.936 -48.666 1.00 74.41 C ATOM 850 OE1 GLU A 54 -5.584 30.171 -49.483 1.00 1.22 O ATOM 851 OE2 GLU A 54 -4.941 32.170 -48.833 1.00 60.11 O ATOM 0 H GLU A 54 -4.221 27.419 -45.608 1.00 23.52 H new ATOM 0 HA GLU A 54 -5.694 28.101 -48.072 1.00 23.41 H new ATOM 0 HB2 GLU A 54 -2.988 28.828 -46.926 1.00 14.34 H new ATOM 0 HB3 GLU A 54 -3.303 28.997 -48.642 1.00 14.34 H new ATOM 0 HG2 GLU A 54 -5.211 30.221 -46.657 1.00 73.34 H new ATOM 0 HG3 GLU A 54 -3.689 31.020 -46.999 1.00 73.34 H new ATOM 858 N PHE A 55 -3.290 25.880 -47.691 1.00 12.11 N ATOM 859 CA PHE A 55 -2.664 24.711 -48.297 1.00 40.02 C ATOM 860 C PHE A 55 -3.172 23.425 -47.651 1.00 51.43 C ATOM 861 O PHE A 55 -2.888 23.130 -46.490 1.00 74.33 O ATOM 862 CB PHE A 55 -1.142 24.795 -48.164 1.00 60.12 C ATOM 863 CG PHE A 55 -0.593 26.171 -48.413 1.00 34.23 C ATOM 864 CD1 PHE A 55 -0.548 26.691 -49.696 1.00 4.51 C ATOM 865 CD2 PHE A 55 -0.123 26.943 -47.363 1.00 50.41 C ATOM 866 CE1 PHE A 55 -0.044 27.957 -49.928 1.00 42.51 C ATOM 867 CE2 PHE A 55 0.381 28.210 -47.589 1.00 44.11 C ATOM 868 CZ PHE A 55 0.422 28.717 -48.873 1.00 43.32 C ATOM 0 H PHE A 55 -2.985 26.075 -46.738 1.00 12.11 H new ATOM 0 HA PHE A 55 -2.929 24.695 -49.354 1.00 40.02 H new ATOM 0 HB2 PHE A 55 -0.855 24.474 -47.163 1.00 60.12 H new ATOM 0 HB3 PHE A 55 -0.685 24.098 -48.866 1.00 60.12 H new ATOM 0 HD1 PHE A 55 -0.911 26.101 -50.524 1.00 4.51 H new ATOM 0 HD2 PHE A 55 -0.151 26.551 -46.357 1.00 50.41 H new ATOM 0 HE1 PHE A 55 -0.015 28.351 -50.933 1.00 42.51 H new ATOM 0 HE2 PHE A 55 0.743 28.803 -46.762 1.00 44.11 H new ATOM 0 HZ PHE A 55 0.818 29.706 -49.052 1.00 43.32 H new ATOM 878 N PRO A 56 -3.943 22.642 -48.420 1.00 63.15 N ATOM 879 CA PRO A 56 -4.507 21.375 -47.945 1.00 53.32 C ATOM 880 C PRO A 56 -3.441 20.302 -47.750 1.00 54.51 C ATOM 881 O PRO A 56 -3.671 19.303 -47.071 1.00 22.21 O ATOM 882 CB PRO A 56 -5.471 20.974 -49.065 1.00 0.32 C ATOM 883 CG PRO A 56 -4.934 21.642 -50.284 1.00 33.23 C ATOM 884 CD PRO A 56 -4.322 22.932 -49.814 1.00 4.05 C ATOM 0 HA PRO A 56 -4.984 21.481 -46.971 1.00 53.32 H new ATOM 0 HB2 PRO A 56 -5.505 19.892 -49.189 1.00 0.32 H new ATOM 0 HB3 PRO A 56 -6.488 21.302 -48.849 1.00 0.32 H new ATOM 0 HG2 PRO A 56 -4.191 21.015 -50.777 1.00 33.23 H new ATOM 0 HG3 PRO A 56 -5.727 21.827 -51.009 1.00 33.23 H new ATOM 0 HD2 PRO A 56 -3.457 23.209 -50.416 1.00 4.05 H new ATOM 0 HD3 PRO A 56 -5.030 23.758 -49.874 1.00 4.05 H new ATOM 892 N ASN A 57 -2.275 20.518 -48.350 1.00 70.40 N ATOM 893 CA ASN A 57 -1.173 19.568 -48.242 1.00 13.12 C ATOM 894 C ASN A 57 -0.834 19.293 -46.780 1.00 70.11 C ATOM 895 O ASN A 57 -0.626 18.146 -46.386 1.00 64.21 O ATOM 896 CB ASN A 57 0.061 20.102 -48.972 1.00 31.13 C ATOM 897 CG ASN A 57 0.864 18.998 -49.633 1.00 54.43 C ATOM 898 OD1 ASN A 57 1.221 19.094 -50.807 1.00 45.33 O ATOM 899 ND2 ASN A 57 1.150 17.943 -48.880 1.00 61.45 N ATOM 0 H ASN A 57 -2.069 21.341 -48.915 1.00 70.40 H new ATOM 0 HA ASN A 57 -1.485 18.633 -48.706 1.00 13.12 H new ATOM 0 HB2 ASN A 57 -0.251 20.823 -49.728 1.00 31.13 H new ATOM 0 HB3 ASN A 57 0.696 20.636 -48.265 1.00 31.13 H new ATOM 0 HD21 ASN A 57 1.687 17.168 -49.270 1.00 61.45 H new ATOM 0 HD22 ASN A 57 0.833 17.907 -47.911 1.00 61.45 H new ATOM 906 N ALA A 58 -0.781 20.353 -45.981 1.00 12.33 N ATOM 907 CA ALA A 58 -0.470 20.226 -44.562 1.00 51.14 C ATOM 908 C ALA A 58 -1.449 19.285 -43.868 1.00 65.21 C ATOM 909 O ALA A 58 -1.050 18.435 -43.071 1.00 63.15 O ATOM 910 CB ALA A 58 -0.485 21.593 -43.894 1.00 73.11 C ATOM 0 H ALA A 58 -0.949 21.310 -46.292 1.00 12.33 H new ATOM 0 HA ALA A 58 0.529 19.800 -44.471 1.00 51.14 H new ATOM 0 HB1 ALA A 58 -0.251 21.483 -42.835 1.00 73.11 H new ATOM 0 HB2 ALA A 58 0.258 22.236 -44.365 1.00 73.11 H new ATOM 0 HB3 ALA A 58 -1.473 22.040 -44.003 1.00 73.11 H new ATOM 916 N LYS A 59 -2.732 19.442 -44.174 1.00 61.24 N ATOM 917 CA LYS A 59 -3.769 18.606 -43.581 1.00 25.13 C ATOM 918 C LYS A 59 -3.598 17.149 -43.999 1.00 34.12 C ATOM 919 O LYS A 59 -3.687 16.243 -43.171 1.00 62.53 O ATOM 920 CB LYS A 59 -5.155 19.107 -43.992 1.00 44.14 C ATOM 921 CG LYS A 59 -6.189 19.014 -42.884 1.00 72.52 C ATOM 922 CD LYS A 59 -6.311 17.595 -42.353 1.00 60.05 C ATOM 923 CE LYS A 59 -6.751 16.628 -43.442 1.00 43.34 C ATOM 924 NZ LYS A 59 -8.106 16.959 -43.963 1.00 72.31 N ATOM 0 H LYS A 59 -3.079 20.142 -44.830 1.00 61.24 H new ATOM 0 HA LYS A 59 -3.675 18.668 -42.497 1.00 25.13 H new ATOM 0 HB2 LYS A 59 -5.075 20.144 -44.317 1.00 44.14 H new ATOM 0 HB3 LYS A 59 -5.501 18.530 -44.850 1.00 44.14 H new ATOM 0 HG2 LYS A 59 -5.914 19.685 -42.071 1.00 72.52 H new ATOM 0 HG3 LYS A 59 -7.157 19.348 -43.259 1.00 72.52 H new ATOM 0 HD2 LYS A 59 -5.352 17.274 -41.946 1.00 60.05 H new ATOM 0 HD3 LYS A 59 -7.029 17.573 -41.533 1.00 60.05 H new ATOM 0 HE2 LYS A 59 -6.032 16.651 -44.261 1.00 43.34 H new ATOM 0 HE3 LYS A 59 -6.752 15.612 -43.047 1.00 43.34 H new ATOM 0 HZ1 LYS A 59 -8.440 16.188 -44.576 1.00 72.31 H new ATOM 0 HZ2 LYS A 59 -8.764 17.079 -43.167 1.00 72.31 H new ATOM 0 HZ3 LYS A 59 -8.061 17.842 -44.511 1.00 72.31 H new ATOM 938 N GLU A 60 -3.353 16.932 -45.287 1.00 44.42 N ATOM 939 CA GLU A 60 -3.170 15.585 -45.813 1.00 65.23 C ATOM 940 C GLU A 60 -2.028 14.871 -45.095 1.00 61.22 C ATOM 941 O GLU A 60 -2.143 13.699 -44.734 1.00 62.33 O ATOM 942 CB GLU A 60 -2.889 15.634 -47.317 1.00 33.02 C ATOM 943 CG GLU A 60 -4.141 15.533 -48.173 1.00 24.33 C ATOM 944 CD GLU A 60 -3.990 14.543 -49.312 1.00 4.40 C ATOM 945 OE1 GLU A 60 -2.852 14.360 -49.793 1.00 1.33 O ATOM 946 OE2 GLU A 60 -5.010 13.952 -49.723 1.00 12.05 O ATOM 0 H GLU A 60 -3.277 17.672 -45.985 1.00 44.42 H new ATOM 0 HA GLU A 60 -4.091 15.027 -45.640 1.00 65.23 H new ATOM 0 HB2 GLU A 60 -2.373 16.565 -47.552 1.00 33.02 H new ATOM 0 HB3 GLU A 60 -2.213 14.820 -47.579 1.00 33.02 H new ATOM 0 HG2 GLU A 60 -4.982 15.235 -47.547 1.00 24.33 H new ATOM 0 HG3 GLU A 60 -4.379 16.516 -48.580 1.00 24.33 H new ATOM 953 N LEU A 61 -0.927 15.585 -44.892 1.00 4.14 N ATOM 954 CA LEU A 61 0.237 15.021 -44.217 1.00 65.01 C ATOM 955 C LEU A 61 -0.069 14.735 -42.750 1.00 44.14 C ATOM 956 O LEU A 61 0.330 13.702 -42.212 1.00 2.13 O ATOM 957 CB LEU A 61 1.427 15.977 -44.325 1.00 31.23 C ATOM 958 CG LEU A 61 1.824 16.397 -45.740 1.00 63.13 C ATOM 959 CD1 LEU A 61 2.493 17.763 -45.724 1.00 22.42 C ATOM 960 CD2 LEU A 61 2.744 15.358 -46.366 1.00 55.35 C ATOM 0 H LEU A 61 -0.815 16.556 -45.185 1.00 4.14 H new ATOM 0 HA LEU A 61 0.489 14.080 -44.706 1.00 65.01 H new ATOM 0 HB2 LEU A 61 1.199 16.875 -43.751 1.00 31.23 H new ATOM 0 HB3 LEU A 61 2.289 15.507 -43.852 1.00 31.23 H new ATOM 0 HG LEU A 61 0.920 16.465 -46.345 1.00 63.13 H new ATOM 0 HD11 LEU A 61 2.769 18.045 -46.740 1.00 22.42 H new ATOM 0 HD12 LEU A 61 1.802 18.502 -45.317 1.00 22.42 H new ATOM 0 HD13 LEU A 61 3.388 17.722 -45.103 1.00 22.42 H new ATOM 0 HD21 LEU A 61 3.017 15.673 -47.373 1.00 55.35 H new ATOM 0 HD22 LEU A 61 3.645 15.258 -45.761 1.00 55.35 H new ATOM 0 HD23 LEU A 61 2.230 14.398 -46.413 1.00 55.35 H new ATOM 972 N CYS A 62 -0.781 15.656 -42.110 1.00 21.24 N ATOM 973 CA CYS A 62 -1.143 15.503 -40.706 1.00 1.03 C ATOM 974 C CYS A 62 -1.940 14.221 -40.486 1.00 33.40 C ATOM 975 O CYS A 62 -1.648 13.443 -39.577 1.00 53.11 O ATOM 976 CB CYS A 62 -1.956 16.710 -40.233 1.00 31.42 C ATOM 977 SG CYS A 62 -1.408 17.396 -38.637 1.00 12.31 S ATOM 0 H CYS A 62 -1.119 16.516 -42.541 1.00 21.24 H new ATOM 0 HA CYS A 62 -0.223 15.442 -40.124 1.00 1.03 H new ATOM 0 HB2 CYS A 62 -1.900 17.492 -40.991 1.00 31.42 H new ATOM 0 HB3 CYS A 62 -3.003 16.420 -40.151 1.00 31.42 H new ATOM 0 HG CYS A 62 -0.362 16.746 -38.221 1.00 12.31 H new ATOM 982 N PHE A 63 -2.948 14.006 -41.325 1.00 14.31 N ATOM 983 CA PHE A 63 -3.789 12.819 -41.223 1.00 1.03 C ATOM 984 C PHE A 63 -3.049 11.584 -41.727 1.00 62.34 C ATOM 985 O PHE A 63 -3.114 10.516 -41.119 1.00 2.35 O ATOM 986 CB PHE A 63 -5.082 13.013 -42.018 1.00 4.42 C ATOM 987 CG PHE A 63 -6.320 12.971 -41.169 1.00 2.24 C ATOM 988 CD1 PHE A 63 -6.643 14.032 -40.338 1.00 4.11 C ATOM 989 CD2 PHE A 63 -7.161 11.870 -41.201 1.00 4.34 C ATOM 990 CE1 PHE A 63 -7.781 13.997 -39.555 1.00 74.34 C ATOM 991 CE2 PHE A 63 -8.301 11.829 -40.421 1.00 1.52 C ATOM 992 CZ PHE A 63 -8.611 12.893 -39.596 1.00 51.33 C ATOM 0 H PHE A 63 -3.202 14.639 -42.084 1.00 14.31 H new ATOM 0 HA PHE A 63 -4.037 12.669 -40.172 1.00 1.03 H new ATOM 0 HB2 PHE A 63 -5.040 13.970 -42.537 1.00 4.42 H new ATOM 0 HB3 PHE A 63 -5.149 12.239 -42.782 1.00 4.42 H new ATOM 0 HD1 PHE A 63 -5.997 14.897 -40.302 1.00 4.11 H new ATOM 0 HD2 PHE A 63 -6.923 11.035 -41.843 1.00 4.34 H new ATOM 0 HE1 PHE A 63 -8.021 14.831 -38.912 1.00 74.34 H new ATOM 0 HE2 PHE A 63 -8.949 10.966 -40.456 1.00 1.52 H new ATOM 0 HZ PHE A 63 -9.500 12.862 -38.984 1.00 51.33 H new ATOM 1002 N ALA A 64 -2.346 11.738 -42.845 1.00 32.21 N ATOM 1003 CA ALA A 64 -1.593 10.636 -43.431 1.00 43.54 C ATOM 1004 C ALA A 64 -0.422 10.236 -42.540 1.00 41.31 C ATOM 1005 O ALA A 64 0.152 9.160 -42.700 1.00 4.20 O ATOM 1006 CB ALA A 64 -1.097 11.016 -44.819 1.00 3.22 C ATOM 0 H ALA A 64 -2.283 12.615 -43.362 1.00 32.21 H new ATOM 0 HA ALA A 64 -2.259 9.778 -43.517 1.00 43.54 H new ATOM 0 HB1 ALA A 64 -0.536 10.184 -45.245 1.00 3.22 H new ATOM 0 HB2 ALA A 64 -1.949 11.246 -45.459 1.00 3.22 H new ATOM 0 HB3 ALA A 64 -0.451 11.891 -44.748 1.00 3.22 H new ATOM 1012 N ASN A 65 -0.073 11.110 -41.602 1.00 2.33 N ATOM 1013 CA ASN A 65 1.031 10.848 -40.685 1.00 62.05 C ATOM 1014 C ASN A 65 0.912 9.455 -40.074 1.00 54.24 C ATOM 1015 O ASN A 65 -0.161 9.053 -39.624 1.00 34.23 O ATOM 1016 CB ASN A 65 1.063 11.902 -39.577 1.00 42.42 C ATOM 1017 CG ASN A 65 0.219 11.509 -38.380 1.00 51.05 C ATOM 1018 OD1 ASN A 65 -0.968 11.212 -38.515 1.00 32.20 O ATOM 1019 ND2 ASN A 65 0.830 11.506 -37.201 1.00 75.12 N ATOM 0 H ASN A 65 -0.538 12.006 -41.457 1.00 2.33 H new ATOM 0 HA ASN A 65 1.961 10.899 -41.252 1.00 62.05 H new ATOM 0 HB2 ASN A 65 2.093 12.057 -39.256 1.00 42.42 H new ATOM 0 HB3 ASN A 65 0.706 12.853 -39.973 1.00 42.42 H new ATOM 0 HD21 ASN A 65 0.313 11.250 -36.360 1.00 75.12 H new ATOM 0 HD22 ASN A 65 1.816 11.759 -37.137 1.00 75.12 H new ATOM 1026 N CYS A 66 2.021 8.723 -40.062 1.00 13.41 N ATOM 1027 CA CYS A 66 2.042 7.376 -39.506 1.00 60.35 C ATOM 1028 C CYS A 66 3.450 6.790 -39.553 1.00 45.23 C ATOM 1029 O CYS A 66 4.290 7.192 -40.359 1.00 61.23 O ATOM 1030 CB CYS A 66 1.076 6.470 -40.273 1.00 12.31 C ATOM 1031 SG CYS A 66 -0.428 6.031 -39.343 1.00 24.14 S ATOM 0 H CYS A 66 2.917 9.041 -40.431 1.00 13.41 H new ATOM 0 HA CYS A 66 1.726 7.435 -38.464 1.00 60.35 H new ATOM 0 HB2 CYS A 66 0.786 6.967 -41.199 1.00 12.31 H new ATOM 0 HB3 CYS A 66 1.598 5.555 -40.553 1.00 12.31 H new ATOM 1036 N PRO A 67 3.716 5.817 -38.669 1.00 5.40 N ATOM 1037 CA PRO A 67 5.022 5.155 -38.590 1.00 12.14 C ATOM 1038 C PRO A 67 5.295 4.266 -39.798 1.00 21.11 C ATOM 1039 O PRO A 67 4.406 3.973 -40.597 1.00 52.35 O ATOM 1040 CB PRO A 67 4.914 4.310 -37.318 1.00 2.44 C ATOM 1041 CG PRO A 67 3.455 4.063 -37.149 1.00 52.05 C ATOM 1042 CD PRO A 67 2.763 5.289 -37.679 1.00 23.12 C ATOM 0 HA PRO A 67 5.843 5.872 -38.574 1.00 12.14 H new ATOM 0 HB2 PRO A 67 5.465 3.375 -37.416 1.00 2.44 H new ATOM 0 HB3 PRO A 67 5.329 4.835 -36.458 1.00 2.44 H new ATOM 0 HG2 PRO A 67 3.144 3.173 -37.695 1.00 52.05 H new ATOM 0 HG3 PRO A 67 3.206 3.897 -36.101 1.00 52.05 H new ATOM 0 HD2 PRO A 67 1.804 5.044 -38.135 1.00 23.12 H new ATOM 0 HD3 PRO A 67 2.564 6.012 -36.888 1.00 23.12 H new ATOM 1050 N PRO A 68 6.554 3.824 -39.936 1.00 41.41 N ATOM 1051 CA PRO A 68 6.973 2.961 -41.044 1.00 41.02 C ATOM 1052 C PRO A 68 6.388 1.557 -40.938 1.00 62.21 C ATOM 1053 O PRO A 68 6.258 1.008 -39.843 1.00 4.31 O ATOM 1054 CB PRO A 68 8.497 2.918 -40.904 1.00 33.24 C ATOM 1055 CG PRO A 68 8.752 3.192 -39.462 1.00 1.31 C ATOM 1056 CD PRO A 68 7.665 4.134 -39.021 1.00 24.52 C ATOM 0 HA PRO A 68 6.631 3.339 -42.007 1.00 41.02 H new ATOM 0 HB2 PRO A 68 8.895 1.947 -41.199 1.00 33.24 H new ATOM 0 HB3 PRO A 68 8.974 3.664 -41.539 1.00 33.24 H new ATOM 0 HG2 PRO A 68 8.730 2.271 -38.880 1.00 1.31 H new ATOM 0 HG3 PRO A 68 9.736 3.637 -39.317 1.00 1.31 H new ATOM 0 HD2 PRO A 68 7.387 3.968 -37.980 1.00 24.52 H new ATOM 0 HD3 PRO A 68 7.977 5.175 -39.105 1.00 24.52 H new ATOM 1064 N LEU A 69 6.037 0.979 -42.082 1.00 1.32 N ATOM 1065 CA LEU A 69 5.466 -0.363 -42.118 1.00 2.44 C ATOM 1066 C LEU A 69 6.469 -1.366 -42.678 1.00 73.24 C ATOM 1067 O LEU A 69 6.086 -2.389 -43.246 1.00 13.24 O ATOM 1068 CB LEU A 69 4.190 -0.373 -42.962 1.00 24.05 C ATOM 1069 CG LEU A 69 3.171 0.724 -42.651 1.00 63.20 C ATOM 1070 CD1 LEU A 69 3.445 1.961 -43.492 1.00 62.34 C ATOM 1071 CD2 LEU A 69 1.755 0.219 -42.887 1.00 64.33 C ATOM 0 H LEU A 69 6.138 1.419 -42.997 1.00 1.32 H new ATOM 0 HA LEU A 69 5.220 -0.655 -41.097 1.00 2.44 H new ATOM 0 HB2 LEU A 69 4.472 -0.292 -44.012 1.00 24.05 H new ATOM 0 HB3 LEU A 69 3.703 -1.340 -42.836 1.00 24.05 H new ATOM 0 HG LEU A 69 3.268 0.996 -41.600 1.00 63.20 H new ATOM 0 HD11 LEU A 69 2.710 2.731 -43.257 1.00 62.34 H new ATOM 0 HD12 LEU A 69 4.445 2.335 -43.273 1.00 62.34 H new ATOM 0 HD13 LEU A 69 3.377 1.705 -44.549 1.00 62.34 H new ATOM 0 HD21 LEU A 69 1.043 1.013 -42.661 1.00 64.33 H new ATOM 0 HD22 LEU A 69 1.645 -0.081 -43.929 1.00 64.33 H new ATOM 0 HD23 LEU A 69 1.562 -0.637 -42.241 1.00 64.33 H new ATOM 1083 N GLU A 70 7.753 -1.067 -42.513 1.00 44.25 N ATOM 1084 CA GLU A 70 8.810 -1.944 -43.002 1.00 64.25 C ATOM 1085 C GLU A 70 9.868 -2.174 -41.927 1.00 1.32 C ATOM 1086 O GLU A 70 9.982 -3.269 -41.378 1.00 74.21 O ATOM 1087 CB GLU A 70 9.460 -1.349 -44.253 1.00 41.23 C ATOM 1088 CG GLU A 70 10.345 -0.147 -43.966 1.00 60.53 C ATOM 1089 CD GLU A 70 11.822 -0.489 -44.004 1.00 0.33 C ATOM 1090 OE1 GLU A 70 12.351 -0.716 -45.112 1.00 21.44 O ATOM 1091 OE2 GLU A 70 12.449 -0.528 -42.924 1.00 52.31 O ATOM 0 H GLU A 70 8.087 -0.225 -42.045 1.00 44.25 H new ATOM 0 HA GLU A 70 8.360 -2.904 -43.256 1.00 64.25 H new ATOM 0 HB2 GLU A 70 10.055 -2.119 -44.744 1.00 41.23 H new ATOM 0 HB3 GLU A 70 8.678 -1.055 -44.954 1.00 41.23 H new ATOM 0 HG2 GLU A 70 10.138 0.635 -44.697 1.00 60.53 H new ATOM 0 HG3 GLU A 70 10.095 0.258 -42.986 1.00 60.53 H new TER 1098 GLU A 70