USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 0 (180deg=-0.0059) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -142:sc= -0.895 (180deg=-3.18!) USER MOD Single : A 27 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.061) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -4.1! C(o=-4.1!,f=-5.1!) USER MOD Single : A 43 HIS : no HE2:sc= -0.455 K(o=-0.46,f=-3.4!) USER MOD Single : A 47 THR OG1 : rot 113:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 47:sc= -4.34! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -2.56! C(o=-2.6!,f=-2.2!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.475 -6.627 12.428 1.00 0.00 N ATOM 2 CA MET A 1 -24.418 -6.841 13.562 1.00 0.00 C ATOM 3 C MET A 1 -24.829 -5.486 14.146 1.00 0.00 C ATOM 4 O MET A 1 -25.991 -5.237 14.398 1.00 0.00 O ATOM 5 CB MET A 1 -23.732 -7.675 14.646 1.00 0.00 C ATOM 6 CG MET A 1 -23.988 -9.161 14.387 1.00 0.00 C ATOM 7 SD MET A 1 -22.557 -10.124 14.937 1.00 0.00 S ATOM 8 CE MET A 1 -22.430 -11.192 13.481 1.00 0.00 C ATOM 0 H1 MET A 1 -23.222 -7.545 12.009 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.929 -6.031 11.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.615 -6.156 12.776 1.00 0.00 H new ATOM 0 HA MET A 1 -25.303 -7.367 13.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.660 -7.475 14.650 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.112 -7.396 15.629 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.883 -9.485 14.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.168 -9.331 13.325 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.595 -11.881 13.607 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.354 -11.759 13.364 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.265 -10.580 12.594 1.00 0.00 H new ATOM 20 N SER A 2 -23.885 -4.610 14.363 1.00 0.00 N ATOM 21 CA SER A 2 -24.226 -3.276 14.930 1.00 0.00 C ATOM 22 C SER A 2 -22.977 -2.388 14.945 1.00 0.00 C ATOM 23 O SER A 2 -22.950 -1.332 14.346 1.00 0.00 O ATOM 24 CB SER A 2 -24.747 -3.447 16.357 1.00 0.00 C ATOM 25 OG SER A 2 -25.154 -2.184 16.863 1.00 0.00 O ATOM 0 H SER A 2 -22.894 -4.761 14.172 1.00 0.00 H new ATOM 0 HA SER A 2 -24.995 -2.808 14.315 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.585 -4.144 16.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.970 -3.872 16.992 1.00 0.00 H new ATOM 0 HG SER A 2 -25.490 -2.291 17.777 1.00 0.00 H new ATOM 31 N ARG A 3 -21.945 -2.807 15.626 1.00 0.00 N ATOM 32 CA ARG A 3 -20.703 -1.983 15.679 1.00 0.00 C ATOM 33 C ARG A 3 -20.334 -1.523 14.268 1.00 0.00 C ATOM 34 O ARG A 3 -20.198 -0.343 14.006 1.00 0.00 O ATOM 35 CB ARG A 3 -19.559 -2.819 16.255 1.00 0.00 C ATOM 36 CG ARG A 3 -19.926 -3.286 17.664 1.00 0.00 C ATOM 37 CD ARG A 3 -18.780 -4.116 18.242 1.00 0.00 C ATOM 38 NE ARG A 3 -19.018 -5.558 17.951 1.00 0.00 N ATOM 39 CZ ARG A 3 -18.127 -6.448 18.294 1.00 0.00 C ATOM 40 NH1 ARG A 3 -16.883 -6.094 18.463 1.00 0.00 N ATOM 41 NH2 ARG A 3 -18.483 -7.691 18.471 1.00 0.00 N ATOM 0 H ARG A 3 -21.908 -3.683 16.147 1.00 0.00 H new ATOM 0 HA ARG A 3 -20.874 -1.113 16.313 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.365 -3.679 15.614 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.642 -2.230 16.283 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -20.124 -2.426 18.303 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.840 -3.879 17.635 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.832 -3.798 17.809 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.708 -3.958 19.318 1.00 0.00 H new ATOM 0 HE ARG A 3 -19.877 -5.849 17.484 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.606 -5.122 18.327 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.187 -6.790 18.731 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.457 -7.966 18.341 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.788 -8.387 18.739 1.00 0.00 H new ATOM 55 N SER A 4 -20.166 -2.442 13.356 1.00 0.00 N ATOM 56 CA SER A 4 -19.802 -2.051 11.964 1.00 0.00 C ATOM 57 C SER A 4 -20.837 -2.610 10.982 1.00 0.00 C ATOM 58 O SER A 4 -21.670 -3.416 11.350 1.00 0.00 O ATOM 59 CB SER A 4 -18.421 -2.608 11.620 1.00 0.00 C ATOM 60 OG SER A 4 -17.798 -3.087 12.804 1.00 0.00 O ATOM 0 H SER A 4 -20.265 -3.445 13.514 1.00 0.00 H new ATOM 0 HA SER A 4 -19.784 -0.964 11.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 -18.513 -3.414 10.892 1.00 0.00 H new ATOM 0 HB3 SER A 4 -17.808 -1.833 11.161 1.00 0.00 H new ATOM 0 HG SER A 4 -16.913 -3.446 12.585 1.00 0.00 H new ATOM 66 N PRO A 5 -20.749 -2.160 9.756 1.00 0.00 N ATOM 67 CA PRO A 5 -21.660 -2.588 8.680 1.00 0.00 C ATOM 68 C PRO A 5 -21.250 -3.961 8.138 1.00 0.00 C ATOM 69 O PRO A 5 -20.356 -4.603 8.655 1.00 0.00 O ATOM 70 CB PRO A 5 -21.480 -1.508 7.610 1.00 0.00 C ATOM 71 CG PRO A 5 -20.097 -0.861 7.869 1.00 0.00 C ATOM 72 CD PRO A 5 -19.729 -1.178 9.330 1.00 0.00 C ATOM 0 HA PRO A 5 -22.693 -2.691 9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -21.525 -1.940 6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -22.274 -0.764 7.672 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.348 -1.261 7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -20.136 0.216 7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -18.723 -1.590 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -19.755 -0.282 9.951 1.00 0.00 H new ATOM 80 N ASP A 6 -21.898 -4.413 7.099 1.00 0.00 N ATOM 81 CA ASP A 6 -21.549 -5.741 6.517 1.00 0.00 C ATOM 82 C ASP A 6 -21.448 -5.615 4.996 1.00 0.00 C ATOM 83 O ASP A 6 -20.533 -6.125 4.379 1.00 0.00 O ATOM 84 CB ASP A 6 -22.638 -6.756 6.873 1.00 0.00 C ATOM 85 CG ASP A 6 -22.276 -7.459 8.182 1.00 0.00 C ATOM 86 OD1 ASP A 6 -21.101 -7.708 8.392 1.00 0.00 O ATOM 87 OD2 ASP A 6 -23.181 -7.737 8.952 1.00 0.00 O ATOM 0 H ASP A 6 -22.655 -3.919 6.627 1.00 0.00 H new ATOM 0 HA ASP A 6 -20.594 -6.077 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -23.600 -6.253 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -22.743 -7.488 6.072 1.00 0.00 H new ATOM 92 N ALA A 7 -22.380 -4.932 4.387 1.00 0.00 N ATOM 93 CA ALA A 7 -22.341 -4.766 2.906 1.00 0.00 C ATOM 94 C ALA A 7 -22.223 -3.279 2.568 1.00 0.00 C ATOM 95 O ALA A 7 -22.983 -2.462 3.051 1.00 0.00 O ATOM 96 CB ALA A 7 -23.628 -5.325 2.295 1.00 0.00 C ATOM 0 H ALA A 7 -23.168 -4.481 4.852 1.00 0.00 H new ATOM 0 HA ALA A 7 -21.484 -5.304 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.599 -5.204 1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -23.717 -6.384 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -24.486 -4.787 2.698 1.00 0.00 H new ATOM 102 N LYS A 8 -21.278 -2.917 1.745 1.00 0.00 N ATOM 103 CA LYS A 8 -21.117 -1.480 1.385 1.00 0.00 C ATOM 104 C LYS A 8 -20.196 -1.352 0.170 1.00 0.00 C ATOM 105 O LYS A 8 -18.993 -1.486 0.275 1.00 0.00 O ATOM 106 CB LYS A 8 -20.502 -0.727 2.567 1.00 0.00 C ATOM 107 CG LYS A 8 -21.607 -0.028 3.360 1.00 0.00 C ATOM 108 CD LYS A 8 -21.246 1.448 3.543 1.00 0.00 C ATOM 109 CE LYS A 8 -20.408 1.614 4.812 1.00 0.00 C ATOM 110 NZ LYS A 8 -20.383 3.050 5.208 1.00 0.00 N ATOM 0 H LYS A 8 -20.611 -3.553 1.307 1.00 0.00 H new ATOM 0 HA LYS A 8 -22.093 -1.057 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.961 -1.420 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.779 0.005 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.559 -0.119 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.731 -0.507 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.690 1.807 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -22.152 2.049 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -20.826 1.011 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.393 1.256 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.813 3.162 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.965 3.614 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.353 3.377 5.389 1.00 0.00 H new ATOM 124 N GLU A 9 -20.749 -1.086 -0.982 1.00 0.00 N ATOM 125 CA GLU A 9 -19.901 -0.941 -2.197 1.00 0.00 C ATOM 126 C GLU A 9 -19.595 0.539 -2.421 1.00 0.00 C ATOM 127 O GLU A 9 -19.248 0.957 -3.508 1.00 0.00 O ATOM 128 CB GLU A 9 -20.643 -1.504 -3.412 1.00 0.00 C ATOM 129 CG GLU A 9 -19.745 -1.420 -4.647 1.00 0.00 C ATOM 130 CD GLU A 9 -20.431 -0.573 -5.721 1.00 0.00 C ATOM 131 OE1 GLU A 9 -20.617 0.610 -5.486 1.00 0.00 O ATOM 132 OE2 GLU A 9 -20.759 -1.121 -6.760 1.00 0.00 O ATOM 0 H GLU A 9 -21.750 -0.963 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.969 -1.490 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.929 -2.540 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -21.563 -0.944 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.784 -0.980 -4.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.543 -2.420 -5.031 1.00 0.00 H new ATOM 139 N ASP A 10 -19.721 1.333 -1.396 1.00 0.00 N ATOM 140 CA ASP A 10 -19.439 2.789 -1.539 1.00 0.00 C ATOM 141 C ASP A 10 -17.925 3.023 -1.525 1.00 0.00 C ATOM 142 O ASP A 10 -17.394 3.657 -2.415 1.00 0.00 O ATOM 143 CB ASP A 10 -20.086 3.556 -0.383 1.00 0.00 C ATOM 144 CG ASP A 10 -20.881 4.739 -0.938 1.00 0.00 C ATOM 145 OD1 ASP A 10 -20.513 5.233 -1.991 1.00 0.00 O ATOM 146 OD2 ASP A 10 -21.843 5.132 -0.300 1.00 0.00 O ATOM 0 H ASP A 10 -20.008 1.037 -0.463 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.852 3.144 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -20.743 2.896 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -19.320 3.910 0.306 1.00 0.00 H new ATOM 151 N PRO A 11 -17.274 2.505 -0.514 1.00 0.00 N ATOM 152 CA PRO A 11 -15.817 2.644 -0.362 1.00 0.00 C ATOM 153 C PRO A 11 -15.095 1.643 -1.270 1.00 0.00 C ATOM 154 O PRO A 11 -15.712 0.942 -2.048 1.00 0.00 O ATOM 155 CB PRO A 11 -15.578 2.316 1.114 1.00 0.00 C ATOM 156 CG PRO A 11 -16.790 1.472 1.577 1.00 0.00 C ATOM 157 CD PRO A 11 -17.924 1.736 0.568 1.00 0.00 C ATOM 0 HA PRO A 11 -15.445 3.631 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.648 1.763 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.491 3.228 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.536 0.412 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.095 1.753 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.350 0.805 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -18.739 2.299 1.023 1.00 0.00 H new ATOM 165 N VAL A 12 -13.796 1.568 -1.179 1.00 0.00 N ATOM 166 CA VAL A 12 -13.046 0.609 -2.038 1.00 0.00 C ATOM 167 C VAL A 12 -13.105 -0.787 -1.414 1.00 0.00 C ATOM 168 O VAL A 12 -13.443 -0.944 -0.257 1.00 0.00 O ATOM 169 CB VAL A 12 -11.589 1.058 -2.153 1.00 0.00 C ATOM 170 CG1 VAL A 12 -10.884 0.244 -3.239 1.00 0.00 C ATOM 171 CG2 VAL A 12 -11.542 2.542 -2.522 1.00 0.00 C ATOM 0 H VAL A 12 -13.222 2.128 -0.548 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.495 0.582 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.086 0.901 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.846 0.566 -3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.917 -0.814 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.386 0.399 -4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.504 2.864 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.046 2.696 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.042 3.125 -1.749 1.00 0.00 H new ATOM 181 N GLU A 13 -12.784 -1.803 -2.168 1.00 0.00 N ATOM 182 CA GLU A 13 -12.827 -3.185 -1.612 1.00 0.00 C ATOM 183 C GLU A 13 -11.533 -3.924 -1.967 1.00 0.00 C ATOM 184 O GLU A 13 -11.198 -4.092 -3.124 1.00 0.00 O ATOM 185 CB GLU A 13 -14.026 -3.930 -2.202 1.00 0.00 C ATOM 186 CG GLU A 13 -15.253 -3.014 -2.184 1.00 0.00 C ATOM 187 CD GLU A 13 -16.519 -3.857 -2.028 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.802 -4.637 -2.923 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.186 -3.707 -1.018 1.00 0.00 O ATOM 0 H GLU A 13 -12.494 -1.736 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.925 -3.139 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.807 -4.243 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.225 -4.834 -1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.175 -2.301 -1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.301 -2.435 -3.106 1.00 0.00 H new ATOM 196 N CYS A 14 -10.804 -4.362 -0.975 1.00 0.00 N ATOM 197 CA CYS A 14 -9.528 -5.091 -1.235 1.00 0.00 C ATOM 198 C CYS A 14 -9.697 -6.044 -2.425 1.00 0.00 C ATOM 199 O CYS A 14 -10.383 -7.040 -2.319 1.00 0.00 O ATOM 200 CB CYS A 14 -9.151 -5.904 0.006 1.00 0.00 C ATOM 201 SG CYS A 14 -7.367 -6.209 -0.003 1.00 0.00 S ATOM 0 H CYS A 14 -11.039 -4.245 0.011 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.745 -4.368 -1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.435 -5.364 0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.694 -6.849 0.015 1.00 0.00 H new ATOM 206 N PRO A 15 -9.064 -5.716 -3.526 1.00 0.00 N ATOM 207 CA PRO A 15 -9.127 -6.536 -4.749 1.00 0.00 C ATOM 208 C PRO A 15 -8.179 -7.737 -4.640 1.00 0.00 C ATOM 209 O PRO A 15 -8.090 -8.551 -5.536 1.00 0.00 O ATOM 210 CB PRO A 15 -8.657 -5.577 -5.847 1.00 0.00 C ATOM 211 CG PRO A 15 -7.826 -4.479 -5.142 1.00 0.00 C ATOM 212 CD PRO A 15 -8.237 -4.498 -3.658 1.00 0.00 C ATOM 0 HA PRO A 15 -10.119 -6.946 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.056 -6.102 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.507 -5.143 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.759 -4.672 -5.251 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.020 -3.502 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.366 -4.535 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.799 -3.604 -3.389 1.00 0.00 H new ATOM 220 N LEU A 16 -7.466 -7.848 -3.550 1.00 0.00 N ATOM 221 CA LEU A 16 -6.521 -8.993 -3.392 1.00 0.00 C ATOM 222 C LEU A 16 -7.162 -10.089 -2.537 1.00 0.00 C ATOM 223 O LEU A 16 -6.801 -11.247 -2.628 1.00 0.00 O ATOM 224 CB LEU A 16 -5.243 -8.502 -2.709 1.00 0.00 C ATOM 225 CG LEU A 16 -4.782 -7.201 -3.365 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.650 -6.113 -2.301 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.427 -7.423 -4.037 1.00 0.00 C ATOM 0 H LEU A 16 -7.497 -7.198 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.284 -9.400 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.425 -8.341 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.462 -9.258 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.513 -6.891 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.321 -5.185 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.615 -5.955 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.919 -6.422 -1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.097 -6.496 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.696 -7.732 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.520 -8.200 -4.796 1.00 0.00 H new ATOM 239 N CYS A 17 -8.106 -9.741 -1.707 1.00 0.00 N ATOM 240 CA CYS A 17 -8.758 -10.774 -0.852 1.00 0.00 C ATOM 241 C CYS A 17 -10.265 -10.513 -0.796 1.00 0.00 C ATOM 242 O CYS A 17 -10.985 -11.132 -0.039 1.00 0.00 O ATOM 243 CB CYS A 17 -8.163 -10.721 0.563 1.00 0.00 C ATOM 244 SG CYS A 17 -8.852 -9.315 1.479 1.00 0.00 S ATOM 0 H CYS A 17 -8.454 -8.790 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.582 -11.763 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.379 -11.650 1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.078 -10.631 0.506 1.00 0.00 H new ATOM 249 N MET A 18 -10.745 -9.598 -1.590 1.00 0.00 N ATOM 250 CA MET A 18 -12.201 -9.293 -1.581 1.00 0.00 C ATOM 251 C MET A 18 -12.644 -8.945 -0.156 1.00 0.00 C ATOM 252 O MET A 18 -13.112 -9.790 0.581 1.00 0.00 O ATOM 253 CB MET A 18 -12.979 -10.515 -2.072 1.00 0.00 C ATOM 254 CG MET A 18 -14.218 -10.059 -2.846 1.00 0.00 C ATOM 255 SD MET A 18 -14.300 -10.938 -4.426 1.00 0.00 S ATOM 256 CE MET A 18 -12.619 -10.563 -4.982 1.00 0.00 C ATOM 0 H MET A 18 -10.190 -9.048 -2.246 1.00 0.00 H new ATOM 0 HA MET A 18 -12.398 -8.446 -2.238 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.345 -11.130 -2.711 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.275 -11.135 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.117 -10.255 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.177 -8.983 -3.018 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.624 -10.379 -6.056 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.254 -9.676 -4.464 1.00 0.00 H new ATOM 0 HE3 MET A 18 -11.966 -11.407 -4.761 1.00 0.00 H new ATOM 266 N GLU A 19 -12.500 -7.707 0.238 1.00 0.00 N ATOM 267 CA GLU A 19 -12.916 -7.310 1.615 1.00 0.00 C ATOM 268 C GLU A 19 -13.268 -5.819 1.632 1.00 0.00 C ATOM 269 O GLU A 19 -12.779 -5.061 0.820 1.00 0.00 O ATOM 270 CB GLU A 19 -11.763 -7.571 2.590 1.00 0.00 C ATOM 271 CG GLU A 19 -11.907 -8.971 3.189 1.00 0.00 C ATOM 272 CD GLU A 19 -11.098 -9.058 4.485 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.304 -8.219 5.346 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.286 -9.962 4.594 1.00 0.00 O ATOM 0 H GLU A 19 -12.113 -6.955 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.787 -7.893 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.808 -7.482 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.767 -6.823 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.957 -9.187 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.557 -9.720 2.478 1.00 0.00 H new ATOM 281 N PRO A 20 -14.110 -5.443 2.561 1.00 0.00 N ATOM 282 CA PRO A 20 -14.550 -4.046 2.714 1.00 0.00 C ATOM 283 C PRO A 20 -13.479 -3.225 3.439 1.00 0.00 C ATOM 284 O PRO A 20 -13.191 -3.449 4.597 1.00 0.00 O ATOM 285 CB PRO A 20 -15.815 -4.160 3.567 1.00 0.00 C ATOM 286 CG PRO A 20 -15.714 -5.509 4.320 1.00 0.00 C ATOM 287 CD PRO A 20 -14.704 -6.374 3.540 1.00 0.00 C ATOM 0 HA PRO A 20 -14.726 -3.545 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.887 -3.328 4.268 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.708 -4.129 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.381 -5.356 5.347 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.686 -5.999 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.946 -6.794 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.196 -7.212 3.045 1.00 0.00 H new ATOM 295 N LEU A 21 -12.889 -2.275 2.767 1.00 0.00 N ATOM 296 CA LEU A 21 -11.840 -1.444 3.422 1.00 0.00 C ATOM 297 C LEU A 21 -12.495 -0.525 4.455 1.00 0.00 C ATOM 298 O LEU A 21 -13.450 0.169 4.167 1.00 0.00 O ATOM 299 CB LEU A 21 -11.123 -0.599 2.369 1.00 0.00 C ATOM 300 CG LEU A 21 -10.176 -1.489 1.563 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.089 -0.971 0.126 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.784 -1.458 2.197 1.00 0.00 C ATOM 0 H LEU A 21 -13.087 -2.039 1.795 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.117 -2.093 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.850 -0.129 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.564 0.204 2.850 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.554 -2.511 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.414 -1.605 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.080 -0.990 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.711 0.051 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.109 -2.092 1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.408 -0.435 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.843 -1.825 3.222 1.00 0.00 H new ATOM 314 N GLU A 22 -11.991 -0.518 5.659 1.00 0.00 N ATOM 315 CA GLU A 22 -12.587 0.354 6.712 1.00 0.00 C ATOM 316 C GLU A 22 -12.266 1.819 6.410 1.00 0.00 C ATOM 317 O GLU A 22 -11.575 2.132 5.461 1.00 0.00 O ATOM 318 CB GLU A 22 -12.006 -0.027 8.075 1.00 0.00 C ATOM 319 CG GLU A 22 -13.145 -0.314 9.055 1.00 0.00 C ATOM 320 CD GLU A 22 -14.092 -1.351 8.446 1.00 0.00 C ATOM 321 OE1 GLU A 22 -13.692 -2.498 8.338 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.201 -0.978 8.098 1.00 0.00 O ATOM 0 H GLU A 22 -11.193 -1.078 5.959 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.668 0.219 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.367 -0.905 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.381 0.782 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.743 -0.683 9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.688 0.604 9.277 1.00 0.00 H new ATOM 329 N ILE A 23 -12.761 2.721 7.215 1.00 0.00 N ATOM 330 CA ILE A 23 -12.485 4.166 6.980 1.00 0.00 C ATOM 331 C ILE A 23 -10.979 4.420 7.104 1.00 0.00 C ATOM 332 O ILE A 23 -10.385 5.100 6.291 1.00 0.00 O ATOM 333 CB ILE A 23 -13.241 4.999 8.021 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.717 5.085 7.626 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.653 6.411 8.088 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.865 5.967 6.386 1.00 0.00 C ATOM 0 H ILE A 23 -13.345 2.518 8.026 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.816 4.450 5.981 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.146 4.524 8.997 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -15.109 4.088 7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -15.301 5.496 8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.196 6.996 8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.601 6.354 8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.742 6.889 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.917 6.027 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.490 6.967 6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.294 5.536 5.563 1.00 0.00 H new ATOM 348 N ASP A 24 -10.360 3.880 8.117 1.00 0.00 N ATOM 349 CA ASP A 24 -8.895 4.090 8.295 1.00 0.00 C ATOM 350 C ASP A 24 -8.122 3.101 7.417 1.00 0.00 C ATOM 351 O ASP A 24 -6.921 2.964 7.533 1.00 0.00 O ATOM 352 CB ASP A 24 -8.523 3.867 9.764 1.00 0.00 C ATOM 353 CG ASP A 24 -8.821 5.136 10.565 1.00 0.00 C ATOM 354 OD1 ASP A 24 -8.816 6.202 9.974 1.00 0.00 O ATOM 355 OD2 ASP A 24 -9.051 5.018 11.758 1.00 0.00 O ATOM 0 H ASP A 24 -10.805 3.302 8.830 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.638 5.108 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.088 3.027 10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.467 3.611 9.848 1.00 0.00 H new ATOM 360 N ASP A 25 -8.800 2.411 6.540 1.00 0.00 N ATOM 361 CA ASP A 25 -8.100 1.433 5.659 1.00 0.00 C ATOM 362 C ASP A 25 -8.061 1.973 4.226 1.00 0.00 C ATOM 363 O ASP A 25 -7.175 1.657 3.458 1.00 0.00 O ATOM 364 CB ASP A 25 -8.850 0.100 5.681 1.00 0.00 C ATOM 365 CG ASP A 25 -8.670 -0.565 7.047 1.00 0.00 C ATOM 366 OD1 ASP A 25 -8.733 0.140 8.040 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.471 -1.768 7.076 1.00 0.00 O ATOM 0 H ASP A 25 -9.807 2.482 6.396 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.082 1.284 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.909 0.263 5.481 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.474 -0.554 4.894 1.00 0.00 H new ATOM 372 N ILE A 26 -9.016 2.784 3.861 1.00 0.00 N ATOM 373 CA ILE A 26 -9.033 3.342 2.479 1.00 0.00 C ATOM 374 C ILE A 26 -7.767 4.172 2.250 1.00 0.00 C ATOM 375 O ILE A 26 -7.221 4.202 1.165 1.00 0.00 O ATOM 376 CB ILE A 26 -10.277 4.222 2.304 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.499 3.329 2.077 1.00 0.00 C ATOM 378 CG2 ILE A 26 -10.101 5.153 1.100 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.634 3.767 3.002 1.00 0.00 C ATOM 0 H ILE A 26 -9.785 3.084 4.460 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.063 2.530 1.752 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.417 4.824 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.819 3.392 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.241 2.287 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.991 5.773 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.232 5.792 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.955 4.558 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.503 3.130 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.311 3.681 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.898 4.803 2.788 1.00 0.00 H new ATOM 391 N ASN A 27 -7.296 4.843 3.263 1.00 0.00 N ATOM 392 CA ASN A 27 -6.065 5.667 3.102 1.00 0.00 C ATOM 393 C ASN A 27 -4.855 4.867 3.589 1.00 0.00 C ATOM 394 O ASN A 27 -3.876 5.420 4.047 1.00 0.00 O ATOM 395 CB ASN A 27 -6.199 6.949 3.926 1.00 0.00 C ATOM 396 CG ASN A 27 -7.612 7.512 3.766 1.00 0.00 C ATOM 397 OD1 ASN A 27 -7.837 8.404 2.972 1.00 0.00 O ATOM 398 ND2 ASN A 27 -8.582 7.026 4.492 1.00 0.00 N ATOM 0 H ASN A 27 -7.709 4.857 4.195 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.931 5.926 2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.995 6.742 4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.464 7.684 3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -9.528 7.395 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.394 6.277 5.159 1.00 0.00 H new ATOM 405 N PHE A 28 -4.918 3.568 3.492 1.00 0.00 N ATOM 406 CA PHE A 28 -3.777 2.727 3.948 1.00 0.00 C ATOM 407 C PHE A 28 -3.251 1.911 2.764 1.00 0.00 C ATOM 408 O PHE A 28 -3.669 0.794 2.538 1.00 0.00 O ATOM 409 CB PHE A 28 -4.258 1.782 5.056 1.00 0.00 C ATOM 410 CG PHE A 28 -3.259 0.666 5.253 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.946 0.958 5.643 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.647 -0.664 5.045 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.022 -0.077 5.823 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.723 -1.700 5.226 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.411 -1.407 5.614 1.00 0.00 C ATOM 0 H PHE A 28 -5.713 3.052 3.115 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.979 3.360 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.386 2.335 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.232 1.368 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.647 1.983 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.659 -0.890 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.009 0.149 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.023 -2.725 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.698 -2.206 5.752 1.00 0.00 H new ATOM 425 N PHE A 29 -2.340 2.457 2.005 1.00 0.00 N ATOM 426 CA PHE A 29 -1.804 1.698 0.842 1.00 0.00 C ATOM 427 C PHE A 29 -0.311 1.423 1.043 1.00 0.00 C ATOM 428 O PHE A 29 0.420 2.281 1.494 1.00 0.00 O ATOM 429 CB PHE A 29 -1.989 2.514 -0.439 1.00 0.00 C ATOM 430 CG PHE A 29 -1.831 3.982 -0.131 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.550 4.538 -0.004 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.964 4.786 0.028 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.407 5.901 0.283 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.821 6.148 0.315 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.543 6.706 0.442 1.00 0.00 C ATOM 0 H PHE A 29 -1.947 3.389 2.139 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.344 0.755 0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.257 2.208 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.975 2.325 -0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.324 3.916 -0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.950 4.356 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.578 6.332 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.696 6.769 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.433 7.757 0.663 1.00 0.00 H new ATOM 445 N PRO A 30 0.099 0.232 0.684 1.00 0.00 N ATOM 446 CA PRO A 30 1.503 -0.185 0.794 1.00 0.00 C ATOM 447 C PRO A 30 2.297 0.378 -0.386 1.00 0.00 C ATOM 448 O PRO A 30 3.502 0.259 -0.450 1.00 0.00 O ATOM 449 CB PRO A 30 1.431 -1.714 0.722 1.00 0.00 C ATOM 450 CG PRO A 30 0.098 -2.053 0.013 1.00 0.00 C ATOM 451 CD PRO A 30 -0.799 -0.808 0.141 1.00 0.00 C ATOM 0 HA PRO A 30 1.994 0.166 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.279 -2.118 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.463 -2.152 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.269 -2.301 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.376 -2.920 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.212 -0.514 -0.824 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.643 -0.992 0.806 1.00 0.00 H new ATOM 459 N CYS A 31 1.622 0.992 -1.325 1.00 0.00 N ATOM 460 CA CYS A 31 2.327 1.563 -2.507 1.00 0.00 C ATOM 461 C CYS A 31 1.758 2.949 -2.821 1.00 0.00 C ATOM 462 O CYS A 31 0.694 3.311 -2.359 1.00 0.00 O ATOM 463 CB CYS A 31 2.121 0.644 -3.710 1.00 0.00 C ATOM 464 SG CYS A 31 3.207 1.166 -5.058 1.00 0.00 S ATOM 0 H CYS A 31 0.610 1.121 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 31 3.392 1.649 -2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.336 -0.388 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.080 0.677 -4.033 1.00 0.00 H new ATOM 469 N THR A 32 2.459 3.729 -3.599 1.00 0.00 N ATOM 470 CA THR A 32 1.958 5.092 -3.932 1.00 0.00 C ATOM 471 C THR A 32 1.112 5.049 -5.209 1.00 0.00 C ATOM 472 O THR A 32 0.480 6.022 -5.571 1.00 0.00 O ATOM 473 CB THR A 32 3.146 6.034 -4.142 1.00 0.00 C ATOM 474 OG1 THR A 32 4.357 5.314 -3.957 1.00 0.00 O ATOM 475 CG2 THR A 32 3.072 7.181 -3.135 1.00 0.00 C ATOM 0 H THR A 32 3.356 3.481 -4.017 1.00 0.00 H new ATOM 0 HA THR A 32 1.341 5.453 -3.109 1.00 0.00 H new ATOM 0 HB THR A 32 3.116 6.440 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.119 5.915 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.918 7.852 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.142 7.732 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.103 6.779 -2.122 1.00 0.00 H new ATOM 483 N CYS A 33 1.091 3.941 -5.901 1.00 0.00 N ATOM 484 CA CYS A 33 0.280 3.873 -7.152 1.00 0.00 C ATOM 485 C CYS A 33 -1.210 3.928 -6.801 1.00 0.00 C ATOM 486 O CYS A 33 -2.029 4.333 -7.601 1.00 0.00 O ATOM 487 CB CYS A 33 0.588 2.576 -7.908 1.00 0.00 C ATOM 488 SG CYS A 33 0.027 1.154 -6.942 1.00 0.00 S ATOM 0 H CYS A 33 1.595 3.088 -5.658 1.00 0.00 H new ATOM 0 HA CYS A 33 0.533 4.721 -7.788 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.094 2.585 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.659 2.500 -8.096 1.00 0.00 H new ATOM 493 N GLY A 34 -1.568 3.536 -5.608 1.00 0.00 N ATOM 494 CA GLY A 34 -3.007 3.584 -5.212 1.00 0.00 C ATOM 495 C GLY A 34 -3.573 2.166 -5.103 1.00 0.00 C ATOM 496 O GLY A 34 -4.772 1.967 -5.127 1.00 0.00 O ATOM 0 H GLY A 34 -0.931 3.186 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.112 4.100 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.575 4.155 -5.947 1.00 0.00 H new ATOM 500 N TYR A 35 -2.730 1.178 -4.976 1.00 0.00 N ATOM 501 CA TYR A 35 -3.236 -0.220 -4.857 1.00 0.00 C ATOM 502 C TYR A 35 -3.490 -0.537 -3.381 1.00 0.00 C ATOM 503 O TYR A 35 -3.186 -1.611 -2.903 1.00 0.00 O ATOM 504 CB TYR A 35 -2.197 -1.191 -5.424 1.00 0.00 C ATOM 505 CG TYR A 35 -2.889 -2.437 -5.926 1.00 0.00 C ATOM 506 CD1 TYR A 35 -3.968 -2.330 -6.813 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.449 -3.699 -5.508 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.608 -3.485 -7.279 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.089 -4.854 -5.974 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.168 -4.746 -6.860 1.00 0.00 C ATOM 511 OH TYR A 35 -4.799 -5.885 -7.320 1.00 0.00 O ATOM 0 H TYR A 35 -1.715 1.277 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.165 -0.325 -5.417 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.646 -0.717 -6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.470 -1.451 -4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.306 -1.357 -7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.616 -3.782 -4.826 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.441 -3.403 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.751 -5.827 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.369 -6.676 -6.933 1.00 0.00 H new ATOM 521 N GLN A 36 -4.040 0.400 -2.656 1.00 0.00 N ATOM 522 CA GLN A 36 -4.311 0.171 -1.206 1.00 0.00 C ATOM 523 C GLN A 36 -4.947 -1.205 -0.998 1.00 0.00 C ATOM 524 O GLN A 36 -5.654 -1.711 -1.847 1.00 0.00 O ATOM 525 CB GLN A 36 -5.268 1.248 -0.677 1.00 0.00 C ATOM 526 CG GLN A 36 -6.158 1.760 -1.811 1.00 0.00 C ATOM 527 CD GLN A 36 -7.579 1.985 -1.287 1.00 0.00 C ATOM 528 OE1 GLN A 36 -8.304 1.041 -1.042 1.00 0.00 O ATOM 529 NE2 GLN A 36 -8.008 3.202 -1.103 1.00 0.00 N ATOM 0 H GLN A 36 -4.314 1.318 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.366 0.220 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.884 0.837 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.699 2.073 -0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.755 2.691 -2.211 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.171 1.041 -2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.399 3.994 -1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.953 3.362 -0.753 1.00 0.00 H new ATOM 538 N ILE A 37 -4.709 -1.806 0.137 1.00 0.00 N ATOM 539 CA ILE A 37 -5.308 -3.140 0.419 1.00 0.00 C ATOM 540 C ILE A 37 -5.773 -3.181 1.879 1.00 0.00 C ATOM 541 O ILE A 37 -5.804 -2.174 2.557 1.00 0.00 O ATOM 542 CB ILE A 37 -4.273 -4.244 0.152 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.362 -4.435 1.370 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.419 -3.852 -1.055 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.543 -3.167 1.599 1.00 0.00 C ATOM 0 H ILE A 37 -4.124 -1.428 0.882 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.164 -3.307 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.799 -5.178 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.960 -4.658 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.699 -5.285 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.683 -4.632 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.059 -3.731 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.906 -2.913 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.896 -3.304 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.933 -2.964 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.215 -2.327 1.777 1.00 0.00 H new ATOM 557 N CYS A 38 -6.135 -4.333 2.367 1.00 0.00 N ATOM 558 CA CYS A 38 -6.597 -4.430 3.777 1.00 0.00 C ATOM 559 C CYS A 38 -5.403 -4.741 4.685 1.00 0.00 C ATOM 560 O CYS A 38 -4.365 -5.180 4.233 1.00 0.00 O ATOM 561 CB CYS A 38 -7.656 -5.532 3.889 1.00 0.00 C ATOM 562 SG CYS A 38 -6.868 -7.156 3.759 1.00 0.00 S ATOM 0 H CYS A 38 -6.131 -5.212 1.850 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.038 -3.483 4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.182 -5.448 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.400 -5.415 3.102 1.00 0.00 H new ATOM 567 N ARG A 39 -5.540 -4.511 5.962 1.00 0.00 N ATOM 568 CA ARG A 39 -4.411 -4.786 6.897 1.00 0.00 C ATOM 569 C ARG A 39 -4.119 -6.289 6.934 1.00 0.00 C ATOM 570 O ARG A 39 -3.090 -6.718 7.418 1.00 0.00 O ATOM 571 CB ARG A 39 -4.788 -4.307 8.300 1.00 0.00 C ATOM 572 CG ARG A 39 -4.246 -2.893 8.519 1.00 0.00 C ATOM 573 CD ARG A 39 -2.736 -2.957 8.747 1.00 0.00 C ATOM 574 NE ARG A 39 -2.363 -2.048 9.867 1.00 0.00 N ATOM 575 CZ ARG A 39 -1.589 -2.479 10.824 1.00 0.00 C ATOM 576 NH1 ARG A 39 -0.405 -2.949 10.544 1.00 0.00 N ATOM 577 NH2 ARG A 39 -1.999 -2.439 12.063 1.00 0.00 N ATOM 0 H ARG A 39 -6.385 -4.144 6.399 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.522 -4.257 6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.871 -4.315 8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.379 -4.985 9.049 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.468 -2.269 7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.735 -2.433 9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.436 -3.979 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.208 -2.668 7.838 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.713 -1.090 9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.084 -2.980 9.576 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.200 -3.286 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.925 -2.071 12.282 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.394 -2.776 12.812 1.00 0.00 H new ATOM 591 N PHE A 40 -5.015 -7.092 6.430 1.00 0.00 N ATOM 592 CA PHE A 40 -4.784 -8.566 6.442 1.00 0.00 C ATOM 593 C PHE A 40 -3.987 -8.970 5.200 1.00 0.00 C ATOM 594 O PHE A 40 -3.397 -10.030 5.146 1.00 0.00 O ATOM 595 CB PHE A 40 -6.132 -9.289 6.436 1.00 0.00 C ATOM 596 CG PHE A 40 -6.578 -9.538 7.855 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.751 -10.244 8.735 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.821 -9.063 8.292 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.166 -10.478 10.052 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.236 -9.296 9.609 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.409 -10.004 10.488 1.00 0.00 C ATOM 0 H PHE A 40 -5.896 -6.793 6.011 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.224 -8.839 7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.875 -8.690 5.910 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.047 -10.234 5.900 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.792 -10.609 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.459 -8.517 7.613 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.527 -11.024 10.731 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.194 -8.929 9.946 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.730 -10.185 11.503 1.00 0.00 H new ATOM 611 N CYS A 41 -3.967 -8.131 4.202 1.00 0.00 N ATOM 612 CA CYS A 41 -3.213 -8.458 2.962 1.00 0.00 C ATOM 613 C CYS A 41 -1.784 -7.928 3.080 1.00 0.00 C ATOM 614 O CYS A 41 -0.839 -8.551 2.637 1.00 0.00 O ATOM 615 CB CYS A 41 -3.906 -7.810 1.761 1.00 0.00 C ATOM 616 SG CYS A 41 -5.118 -8.963 1.066 1.00 0.00 S ATOM 0 H CYS A 41 -4.443 -7.229 4.193 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.186 -9.539 2.824 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.400 -6.888 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.169 -7.541 1.004 1.00 0.00 H new ATOM 621 N TRP A 42 -1.620 -6.779 3.675 1.00 0.00 N ATOM 622 CA TRP A 42 -0.255 -6.203 3.824 1.00 0.00 C ATOM 623 C TRP A 42 0.509 -6.977 4.901 1.00 0.00 C ATOM 624 O TRP A 42 1.715 -7.112 4.844 1.00 0.00 O ATOM 625 CB TRP A 42 -0.368 -4.732 4.231 1.00 0.00 C ATOM 626 CG TRP A 42 0.999 -4.150 4.399 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.826 -3.806 3.385 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.710 -3.837 5.631 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.000 -3.302 3.917 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.977 -3.301 5.297 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.382 -3.965 6.993 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.887 -2.907 6.280 1.00 0.00 C ATOM 633 CZ3 TRP A 42 2.295 -3.569 7.986 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.544 -3.041 7.628 1.00 0.00 C ATOM 0 H TRP A 42 -2.374 -6.213 4.065 1.00 0.00 H new ATOM 0 HA TRP A 42 0.280 -6.278 2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.920 -4.176 3.473 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.928 -4.644 5.162 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.606 -3.908 2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.786 -2.972 3.358 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.422 -4.370 7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.848 -2.502 6.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.033 -3.672 9.029 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.241 -2.738 8.395 1.00 0.00 H new ATOM 645 N HIS A 43 -0.185 -7.486 5.882 1.00 0.00 N ATOM 646 CA HIS A 43 0.499 -8.251 6.962 1.00 0.00 C ATOM 647 C HIS A 43 1.112 -9.526 6.376 1.00 0.00 C ATOM 648 O HIS A 43 2.129 -10.006 6.837 1.00 0.00 O ATOM 649 CB HIS A 43 -0.518 -8.630 8.041 1.00 0.00 C ATOM 650 CG HIS A 43 -0.421 -7.662 9.187 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.317 -8.084 10.503 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.412 -6.289 9.232 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.252 -6.985 11.277 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.306 -5.864 10.552 1.00 0.00 N ATOM 0 H HIS A 43 -1.197 -7.405 5.982 1.00 0.00 H new ATOM 0 HA HIS A 43 1.285 -7.635 7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.526 -8.618 7.626 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.330 -9.645 8.392 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.294 -9.051 10.826 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.477 -5.638 8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.167 -7.007 12.353 1.00 0.00 H new ATOM 662 N ARG A 44 0.499 -10.081 5.367 1.00 0.00 N ATOM 663 CA ARG A 44 1.042 -11.327 4.757 1.00 0.00 C ATOM 664 C ARG A 44 1.942 -10.972 3.571 1.00 0.00 C ATOM 665 O ARG A 44 2.640 -11.811 3.038 1.00 0.00 O ATOM 666 CB ARG A 44 -0.116 -12.204 4.274 1.00 0.00 C ATOM 667 CG ARG A 44 -0.119 -13.522 5.051 1.00 0.00 C ATOM 668 CD ARG A 44 -0.445 -14.675 4.100 1.00 0.00 C ATOM 669 NE ARG A 44 -1.581 -15.467 4.651 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.367 -16.351 5.586 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.492 -16.015 6.841 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.030 -17.571 5.267 1.00 0.00 N ATOM 0 H ARG A 44 -0.355 -9.725 4.938 1.00 0.00 H new ATOM 0 HA ARG A 44 1.625 -11.869 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.063 -11.684 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.017 -12.400 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.853 -13.684 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.854 -13.481 5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.703 -14.286 3.115 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.429 -15.313 3.972 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.526 -15.318 4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.757 -15.062 7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.325 -16.706 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.934 -17.834 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.863 -18.262 5.999 1.00 0.00 H new ATOM 686 N ILE A 45 1.932 -9.737 3.152 1.00 0.00 N ATOM 687 CA ILE A 45 2.790 -9.336 2.001 1.00 0.00 C ATOM 688 C ILE A 45 4.184 -8.961 2.512 1.00 0.00 C ATOM 689 O ILE A 45 5.182 -9.229 1.874 1.00 0.00 O ATOM 690 CB ILE A 45 2.159 -8.136 1.285 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.973 -8.613 0.444 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.193 -7.477 0.366 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.171 -7.403 -0.040 1.00 0.00 C ATOM 0 H ILE A 45 1.368 -8.989 3.556 1.00 0.00 H new ATOM 0 HA ILE A 45 2.874 -10.167 1.301 1.00 0.00 H new ATOM 0 HB ILE A 45 1.820 -7.413 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.328 -9.192 -0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.336 -9.272 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.739 -6.625 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.042 -7.137 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.534 -8.200 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.674 -7.743 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.196 -6.842 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.811 -6.761 -0.646 1.00 0.00 H new ATOM 705 N ARG A 46 4.260 -8.342 3.659 1.00 0.00 N ATOM 706 CA ARG A 46 5.590 -7.951 4.207 1.00 0.00 C ATOM 707 C ARG A 46 6.161 -9.102 5.039 1.00 0.00 C ATOM 708 O ARG A 46 7.232 -8.999 5.604 1.00 0.00 O ATOM 709 CB ARG A 46 5.433 -6.715 5.093 1.00 0.00 C ATOM 710 CG ARG A 46 5.748 -5.458 4.280 1.00 0.00 C ATOM 711 CD ARG A 46 6.256 -4.359 5.216 1.00 0.00 C ATOM 712 NE ARG A 46 7.721 -4.526 5.429 1.00 0.00 N ATOM 713 CZ ARG A 46 8.263 -4.143 6.553 1.00 0.00 C ATOM 714 NH1 ARG A 46 8.018 -2.952 7.024 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.054 -4.952 7.206 1.00 0.00 N ATOM 0 H ARG A 46 3.460 -8.091 4.239 1.00 0.00 H new ATOM 0 HA ARG A 46 6.268 -7.727 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.417 -6.662 5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.102 -6.783 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.499 -5.681 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.855 -5.119 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.049 -3.378 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.731 -4.408 6.170 1.00 0.00 H new ATOM 0 HE ARG A 46 8.300 -4.939 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.402 -2.319 6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.442 -2.654 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.248 -5.883 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.477 -4.653 8.084 1.00 0.00 H new ATOM 729 N THR A 47 5.458 -10.198 5.118 1.00 0.00 N ATOM 730 CA THR A 47 5.963 -11.352 5.913 1.00 0.00 C ATOM 731 C THR A 47 6.313 -12.504 4.970 1.00 0.00 C ATOM 732 O THR A 47 7.364 -13.105 5.072 1.00 0.00 O ATOM 733 CB THR A 47 4.880 -11.808 6.894 1.00 0.00 C ATOM 734 OG1 THR A 47 4.527 -10.726 7.743 1.00 0.00 O ATOM 735 CG2 THR A 47 5.409 -12.970 7.737 1.00 0.00 C ATOM 0 H THR A 47 4.555 -10.344 4.666 1.00 0.00 H new ATOM 0 HA THR A 47 6.852 -11.051 6.467 1.00 0.00 H new ATOM 0 HB THR A 47 4.001 -12.136 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.608 -10.445 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.637 -13.294 8.435 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.679 -13.800 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.288 -12.645 8.293 1.00 0.00 H new ATOM 743 N ASP A 48 5.440 -12.815 4.051 1.00 0.00 N ATOM 744 CA ASP A 48 5.722 -13.929 3.102 1.00 0.00 C ATOM 745 C ASP A 48 6.281 -13.359 1.796 1.00 0.00 C ATOM 746 O ASP A 48 7.191 -13.909 1.208 1.00 0.00 O ATOM 747 CB ASP A 48 4.428 -14.693 2.814 1.00 0.00 C ATOM 748 CG ASP A 48 4.756 -16.158 2.525 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.190 -16.441 1.420 1.00 0.00 O ATOM 750 OD2 ASP A 48 4.568 -16.973 3.413 1.00 0.00 O ATOM 0 H ASP A 48 4.544 -12.346 3.916 1.00 0.00 H new ATOM 0 HA ASP A 48 6.453 -14.606 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.753 -14.622 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.913 -14.249 1.962 1.00 0.00 H new ATOM 755 N GLU A 49 5.746 -12.261 1.339 1.00 0.00 N ATOM 756 CA GLU A 49 6.249 -11.661 0.072 1.00 0.00 C ATOM 757 C GLU A 49 7.550 -10.905 0.353 1.00 0.00 C ATOM 758 O GLU A 49 8.296 -11.245 1.250 1.00 0.00 O ATOM 759 CB GLU A 49 5.204 -10.694 -0.487 1.00 0.00 C ATOM 760 CG GLU A 49 5.100 -10.876 -2.003 1.00 0.00 C ATOM 761 CD GLU A 49 5.206 -9.512 -2.688 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.256 -8.751 -2.599 1.00 0.00 O ATOM 763 OE2 GLU A 49 6.234 -9.252 -3.290 1.00 0.00 O ATOM 0 H GLU A 49 4.983 -11.754 1.788 1.00 0.00 H new ATOM 0 HA GLU A 49 6.435 -12.449 -0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.236 -10.878 -0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.481 -9.666 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.893 -11.535 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.153 -11.351 -2.259 1.00 0.00 H new ATOM 770 N ASN A 50 7.828 -9.882 -0.405 1.00 0.00 N ATOM 771 CA ASN A 50 9.081 -9.106 -0.180 1.00 0.00 C ATOM 772 C ASN A 50 8.726 -7.668 0.204 1.00 0.00 C ATOM 773 O ASN A 50 9.551 -6.925 0.698 1.00 0.00 O ATOM 774 CB ASN A 50 9.912 -9.100 -1.465 1.00 0.00 C ATOM 775 CG ASN A 50 11.368 -8.767 -1.131 1.00 0.00 C ATOM 776 OD1 ASN A 50 12.046 -9.539 -0.483 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.880 -7.641 -1.548 1.00 0.00 N ATOM 0 H ASN A 50 7.242 -9.549 -1.171 1.00 0.00 H new ATOM 0 HA ASN A 50 9.656 -9.566 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.853 -10.073 -1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.512 -8.367 -2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.849 -7.410 -1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.311 -6.993 -2.092 1.00 0.00 H new ATOM 784 N GLY A 51 7.502 -7.269 -0.021 1.00 0.00 N ATOM 785 CA GLY A 51 7.094 -5.880 0.331 1.00 0.00 C ATOM 786 C GLY A 51 6.935 -5.054 -0.948 1.00 0.00 C ATOM 787 O GLY A 51 6.689 -3.864 -0.903 1.00 0.00 O ATOM 0 H GLY A 51 6.768 -7.846 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.156 -5.895 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.841 -5.424 0.980 1.00 0.00 H new ATOM 791 N LEU A 52 7.071 -5.673 -2.090 1.00 0.00 N ATOM 792 CA LEU A 52 6.925 -4.916 -3.366 1.00 0.00 C ATOM 793 C LEU A 52 5.442 -4.776 -3.710 1.00 0.00 C ATOM 794 O LEU A 52 4.589 -5.394 -3.107 1.00 0.00 O ATOM 795 CB LEU A 52 7.623 -5.672 -4.503 1.00 0.00 C ATOM 796 CG LEU A 52 9.102 -5.284 -4.577 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.716 -5.869 -5.852 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.238 -3.759 -4.607 1.00 0.00 C ATOM 0 H LEU A 52 7.276 -6.667 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 52 7.377 -3.931 -3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.530 -6.746 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.134 -5.447 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 52 9.620 -5.676 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.769 -5.594 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.625 -6.955 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.192 -5.475 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.293 -3.489 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.718 -3.364 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.800 -3.337 -3.703 1.00 0.00 H new ATOM 810 N CYS A 53 5.137 -3.971 -4.685 1.00 0.00 N ATOM 811 CA CYS A 53 3.716 -3.777 -5.095 1.00 0.00 C ATOM 812 C CYS A 53 3.356 -4.802 -6.181 1.00 0.00 C ATOM 813 O CYS A 53 3.953 -4.805 -7.239 1.00 0.00 O ATOM 814 CB CYS A 53 3.550 -2.362 -5.653 1.00 0.00 C ATOM 815 SG CYS A 53 1.825 -2.080 -6.120 1.00 0.00 S ATOM 0 H CYS A 53 5.816 -3.432 -5.223 1.00 0.00 H new ATOM 0 HA CYS A 53 3.059 -3.914 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.858 -1.629 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.197 -2.226 -6.520 1.00 0.00 H new ATOM 820 N PRO A 54 2.392 -5.644 -5.891 1.00 0.00 N ATOM 821 CA PRO A 54 1.941 -6.685 -6.834 1.00 0.00 C ATOM 822 C PRO A 54 1.018 -6.084 -7.900 1.00 0.00 C ATOM 823 O PRO A 54 0.413 -6.792 -8.680 1.00 0.00 O ATOM 824 CB PRO A 54 1.173 -7.666 -5.944 1.00 0.00 C ATOM 825 CG PRO A 54 0.742 -6.872 -4.687 1.00 0.00 C ATOM 826 CD PRO A 54 1.666 -5.642 -4.604 1.00 0.00 C ATOM 0 HA PRO A 54 2.762 -7.155 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.304 -8.066 -6.467 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.800 -8.515 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.302 -6.568 -4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.833 -7.486 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.095 -4.723 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.352 -5.716 -3.760 1.00 0.00 H new ATOM 834 N ALA A 55 0.903 -4.785 -7.940 1.00 0.00 N ATOM 835 CA ALA A 55 0.019 -4.144 -8.953 1.00 0.00 C ATOM 836 C ALA A 55 0.856 -3.258 -9.880 1.00 0.00 C ATOM 837 O ALA A 55 0.518 -3.057 -11.030 1.00 0.00 O ATOM 838 CB ALA A 55 -1.034 -3.289 -8.244 1.00 0.00 C ATOM 0 H ALA A 55 1.384 -4.139 -7.314 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.475 -4.917 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.681 -2.820 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.633 -3.920 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.539 -2.517 -7.654 1.00 0.00 H new ATOM 844 N CYS A 56 1.944 -2.725 -9.392 1.00 0.00 N ATOM 845 CA CYS A 56 2.791 -1.853 -10.255 1.00 0.00 C ATOM 846 C CYS A 56 4.273 -2.090 -9.928 1.00 0.00 C ATOM 847 O CYS A 56 5.122 -1.267 -10.209 1.00 0.00 O ATOM 848 CB CYS A 56 2.400 -0.379 -10.027 1.00 0.00 C ATOM 849 SG CYS A 56 3.345 0.346 -8.657 1.00 0.00 S ATOM 0 H CYS A 56 2.281 -2.855 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 56 2.631 -2.095 -11.306 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.578 0.192 -10.938 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.333 -0.312 -9.812 1.00 0.00 H new ATOM 854 N ARG A 57 4.580 -3.212 -9.334 1.00 0.00 N ATOM 855 CA ARG A 57 5.994 -3.530 -8.973 1.00 0.00 C ATOM 856 C ARG A 57 6.717 -2.272 -8.480 1.00 0.00 C ATOM 857 O ARG A 57 7.415 -1.607 -9.217 1.00 0.00 O ATOM 858 CB ARG A 57 6.729 -4.107 -10.184 1.00 0.00 C ATOM 859 CG ARG A 57 6.480 -3.237 -11.415 1.00 0.00 C ATOM 860 CD ARG A 57 7.304 -3.783 -12.582 1.00 0.00 C ATOM 861 NE ARG A 57 7.043 -2.969 -13.803 1.00 0.00 N ATOM 862 CZ ARG A 57 8.005 -2.746 -14.655 1.00 0.00 C ATOM 863 NH1 ARG A 57 8.135 -3.505 -15.708 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.840 -1.763 -14.453 1.00 0.00 N ATOM 0 H ARG A 57 3.903 -3.931 -9.080 1.00 0.00 H new ATOM 0 HA ARG A 57 5.988 -4.269 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.798 -4.161 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.389 -5.125 -10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.420 -3.238 -11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.758 -2.203 -11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.365 -3.756 -12.335 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.046 -4.826 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 57 6.113 -2.587 -13.972 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.484 -4.274 -15.866 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.888 -3.329 -16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.740 -1.170 -13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.593 -1.588 -15.119 1.00 0.00 H new ATOM 878 N LYS A 58 6.558 -1.965 -7.225 1.00 0.00 N ATOM 879 CA LYS A 58 7.231 -0.774 -6.634 1.00 0.00 C ATOM 880 C LYS A 58 7.441 -1.039 -5.142 1.00 0.00 C ATOM 881 O LYS A 58 6.638 -1.698 -4.515 1.00 0.00 O ATOM 882 CB LYS A 58 6.354 0.465 -6.818 1.00 0.00 C ATOM 883 CG LYS A 58 7.086 1.486 -7.691 1.00 0.00 C ATOM 884 CD LYS A 58 6.177 2.690 -7.948 1.00 0.00 C ATOM 885 CE LYS A 58 6.427 3.756 -6.879 1.00 0.00 C ATOM 886 NZ LYS A 58 6.204 5.108 -7.465 1.00 0.00 N ATOM 0 H LYS A 58 5.982 -2.496 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 58 8.187 -0.599 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.407 0.187 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.118 0.903 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.003 1.809 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.376 1.029 -8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.371 3.101 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.132 2.380 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.759 3.600 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.446 3.675 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.374 5.833 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.858 5.254 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.224 5.182 -7.805 1.00 0.00 H new ATOM 900 N PRO A 59 8.521 -0.533 -4.615 1.00 0.00 N ATOM 901 CA PRO A 59 8.860 -0.724 -3.196 1.00 0.00 C ATOM 902 C PRO A 59 7.977 0.148 -2.302 1.00 0.00 C ATOM 903 O PRO A 59 8.014 1.360 -2.371 1.00 0.00 O ATOM 904 CB PRO A 59 10.329 -0.297 -3.117 1.00 0.00 C ATOM 905 CG PRO A 59 10.579 0.624 -4.335 1.00 0.00 C ATOM 906 CD PRO A 59 9.491 0.283 -5.372 1.00 0.00 C ATOM 0 HA PRO A 59 8.702 -1.746 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.532 0.229 -2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.988 -1.165 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.524 1.673 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.574 0.459 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.027 1.183 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.903 -0.268 -6.217 1.00 0.00 H new ATOM 914 N TYR A 60 7.179 -0.467 -1.467 1.00 0.00 N ATOM 915 CA TYR A 60 6.287 0.321 -0.565 1.00 0.00 C ATOM 916 C TYR A 60 7.048 1.534 -0.015 1.00 0.00 C ATOM 917 O TYR A 60 8.202 1.420 0.351 1.00 0.00 O ATOM 918 CB TYR A 60 5.844 -0.550 0.615 1.00 0.00 C ATOM 919 CG TYR A 60 5.174 -1.812 0.122 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.689 -1.896 -1.190 1.00 0.00 C ATOM 921 CD2 TYR A 60 5.032 -2.902 0.990 1.00 0.00 C ATOM 922 CE1 TYR A 60 4.063 -3.070 -1.630 1.00 0.00 C ATOM 923 CE2 TYR A 60 4.406 -4.072 0.551 1.00 0.00 C ATOM 924 CZ TYR A 60 3.921 -4.158 -0.758 1.00 0.00 C ATOM 925 OH TYR A 60 3.301 -5.314 -1.188 1.00 0.00 O ATOM 0 H TYR A 60 7.107 -1.480 -1.371 1.00 0.00 H new ATOM 0 HA TYR A 60 5.417 0.651 -1.133 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.707 -0.806 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.156 0.010 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.798 -1.057 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.407 -2.838 2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.690 -3.136 -2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.297 -4.910 1.223 1.00 0.00 H new ATOM 0 HH TYR A 60 3.661 -5.573 -2.062 1.00 0.00 H new ATOM 935 N PRO A 61 6.380 2.661 0.037 1.00 0.00 N ATOM 936 CA PRO A 61 6.975 3.907 0.549 1.00 0.00 C ATOM 937 C PRO A 61 6.957 3.905 2.082 1.00 0.00 C ATOM 938 O PRO A 61 6.157 4.577 2.702 1.00 0.00 O ATOM 939 CB PRO A 61 6.052 4.998 -0.001 1.00 0.00 C ATOM 940 CG PRO A 61 4.697 4.313 -0.302 1.00 0.00 C ATOM 941 CD PRO A 61 4.978 2.802 -0.413 1.00 0.00 C ATOM 0 HA PRO A 61 8.014 4.045 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.928 5.803 0.723 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.471 5.443 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.977 4.515 0.491 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.267 4.696 -1.228 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.299 2.223 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.850 2.447 -1.436 1.00 0.00 H new ATOM 949 N GLU A 62 7.826 3.149 2.699 1.00 0.00 N ATOM 950 CA GLU A 62 7.840 3.106 4.189 1.00 0.00 C ATOM 951 C GLU A 62 9.283 3.164 4.702 1.00 0.00 C ATOM 952 O GLU A 62 9.727 4.169 5.218 1.00 0.00 O ATOM 953 CB GLU A 62 7.180 1.809 4.665 1.00 0.00 C ATOM 954 CG GLU A 62 6.872 1.909 6.160 1.00 0.00 C ATOM 955 CD GLU A 62 8.091 1.455 6.964 1.00 0.00 C ATOM 956 OE1 GLU A 62 8.813 0.601 6.477 1.00 0.00 O ATOM 957 OE2 GLU A 62 8.282 1.970 8.054 1.00 0.00 O ATOM 0 H GLU A 62 8.522 2.563 2.238 1.00 0.00 H new ATOM 0 HA GLU A 62 7.290 3.963 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.262 1.630 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.840 0.962 4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.613 2.935 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.009 1.290 6.407 1.00 0.00 H new ATOM 964 N ASP A 63 10.017 2.092 4.571 1.00 0.00 N ATOM 965 CA ASP A 63 11.425 2.090 5.061 1.00 0.00 C ATOM 966 C ASP A 63 12.359 2.604 3.962 1.00 0.00 C ATOM 967 O ASP A 63 11.932 2.853 2.852 1.00 0.00 O ATOM 968 CB ASP A 63 11.828 0.665 5.444 1.00 0.00 C ATOM 969 CG ASP A 63 12.049 0.587 6.956 1.00 0.00 C ATOM 970 OD1 ASP A 63 11.261 1.171 7.681 1.00 0.00 O ATOM 971 OD2 ASP A 63 13.004 -0.055 7.363 1.00 0.00 O ATOM 0 H ASP A 63 9.703 1.219 4.147 1.00 0.00 H new ATOM 0 HA ASP A 63 11.503 2.741 5.932 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.051 -0.038 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.738 0.379 4.917 1.00 0.00 H new ATOM 976 N PRO A 64 13.614 2.745 4.310 1.00 0.00 N ATOM 977 CA PRO A 64 14.649 3.225 3.381 1.00 0.00 C ATOM 978 C PRO A 64 15.091 2.092 2.454 1.00 0.00 C ATOM 979 O PRO A 64 14.691 2.022 1.308 1.00 0.00 O ATOM 980 CB PRO A 64 15.793 3.649 4.306 1.00 0.00 C ATOM 981 CG PRO A 64 15.592 2.874 5.630 1.00 0.00 C ATOM 982 CD PRO A 64 14.116 2.435 5.665 1.00 0.00 C ATOM 0 HA PRO A 64 14.308 4.035 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 64 16.760 3.414 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.775 4.725 4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.254 2.010 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 64 15.829 3.504 6.487 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.022 1.373 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.558 2.975 6.430 1.00 0.00 H new ATOM 990 N ALA A 65 15.910 1.202 2.946 1.00 0.00 N ATOM 991 CA ALA A 65 16.379 0.066 2.100 1.00 0.00 C ATOM 992 C ALA A 65 17.631 -0.561 2.717 1.00 0.00 C ATOM 993 O ALA A 65 18.527 -0.981 2.014 1.00 0.00 O ATOM 994 CB ALA A 65 16.714 0.578 0.697 1.00 0.00 C ATOM 0 H ALA A 65 16.275 1.212 3.898 1.00 0.00 H new ATOM 0 HA ALA A 65 15.590 -0.683 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.057 -0.252 0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.824 1.021 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.500 1.330 0.762 1.00 0.00 H new ATOM 1000 N VAL A 66 17.698 -0.630 4.022 1.00 0.00 N ATOM 1001 CA VAL A 66 18.891 -1.232 4.694 1.00 0.00 C ATOM 1002 C VAL A 66 20.170 -0.830 3.953 1.00 0.00 C ATOM 1003 O VAL A 66 20.572 -1.449 2.989 1.00 0.00 O ATOM 1004 CB VAL A 66 18.763 -2.755 4.704 1.00 0.00 C ATOM 1005 CG1 VAL A 66 17.662 -3.168 5.682 1.00 0.00 C ATOM 1006 CG2 VAL A 66 18.407 -3.243 3.302 1.00 0.00 C ATOM 0 H VAL A 66 16.973 -0.293 4.656 1.00 0.00 H new ATOM 0 HA VAL A 66 18.942 -0.865 5.719 1.00 0.00 H new ATOM 0 HB VAL A 66 19.709 -3.198 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 66 17.570 -4.254 5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 66 17.915 -2.818 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.715 -2.726 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 66 18.315 -4.329 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 66 17.460 -2.800 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.191 -2.948 2.604 1.00 0.00 H new ATOM 1016 N TYR A 67 20.816 0.203 4.404 1.00 0.00 N ATOM 1017 CA TYR A 67 22.070 0.654 3.735 1.00 0.00 C ATOM 1018 C TYR A 67 23.270 -0.117 4.296 1.00 0.00 C ATOM 1019 O TYR A 67 24.380 0.378 4.313 1.00 0.00 O ATOM 1020 CB TYR A 67 22.273 2.151 3.988 1.00 0.00 C ATOM 1021 CG TYR A 67 21.143 2.932 3.360 1.00 0.00 C ATOM 1022 CD1 TYR A 67 20.612 2.533 2.128 1.00 0.00 C ATOM 1023 CD2 TYR A 67 20.629 4.060 4.012 1.00 0.00 C ATOM 1024 CE1 TYR A 67 19.566 3.260 1.548 1.00 0.00 C ATOM 1025 CE2 TYR A 67 19.582 4.787 3.432 1.00 0.00 C ATOM 1026 CZ TYR A 67 19.051 4.387 2.200 1.00 0.00 C ATOM 1027 OH TYR A 67 18.019 5.103 1.628 1.00 0.00 O ATOM 0 H TYR A 67 20.531 0.759 5.210 1.00 0.00 H new ATOM 0 HA TYR A 67 21.989 0.466 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 67 22.311 2.346 5.060 1.00 0.00 H new ATOM 0 HB3 TYR A 67 23.227 2.474 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 67 21.009 1.664 1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 67 21.040 4.369 4.962 1.00 0.00 H new ATOM 0 HE1 TYR A 67 19.156 2.952 0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.184 5.656 3.935 1.00 0.00 H new ATOM 0 HH TYR A 67 17.780 5.854 2.210 1.00 0.00 H new ATOM 1037 N LYS A 68 23.063 -1.322 4.751 1.00 0.00 N ATOM 1038 CA LYS A 68 24.201 -2.110 5.302 1.00 0.00 C ATOM 1039 C LYS A 68 23.860 -3.603 5.270 1.00 0.00 C ATOM 1040 O LYS A 68 23.827 -4.249 6.298 1.00 0.00 O ATOM 1041 CB LYS A 68 24.464 -1.682 6.746 1.00 0.00 C ATOM 1042 CG LYS A 68 25.590 -0.646 6.775 1.00 0.00 C ATOM 1043 CD LYS A 68 26.516 -0.931 7.958 1.00 0.00 C ATOM 1044 CE LYS A 68 27.792 -0.097 7.824 1.00 0.00 C ATOM 1045 NZ LYS A 68 28.963 -1.002 7.650 1.00 0.00 N ATOM 0 H LYS A 68 22.159 -1.794 4.765 1.00 0.00 H new ATOM 0 HA LYS A 68 25.090 -1.929 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 68 23.558 -1.262 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 24.737 -2.548 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 68 26.153 -0.680 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 68 25.173 0.358 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 68 26.011 -0.693 8.894 1.00 0.00 H new ATOM 0 HD3 LYS A 68 26.765 -1.992 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 68 27.710 0.577 6.971 1.00 0.00 H new ATOM 0 HE3 LYS A 68 27.928 0.524 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 29.830 -0.435 7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 29.044 -1.628 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 28.834 -1.576 6.793 1.00 0.00 H new ATOM 1059 N PRO A 69 23.619 -4.106 4.086 1.00 0.00 N ATOM 1060 CA PRO A 69 23.284 -5.526 3.882 1.00 0.00 C ATOM 1061 C PRO A 69 24.554 -6.382 3.942 1.00 0.00 C ATOM 1062 O PRO A 69 25.001 -6.913 2.945 1.00 0.00 O ATOM 1063 CB PRO A 69 22.674 -5.553 2.478 1.00 0.00 C ATOM 1064 CG PRO A 69 23.207 -4.297 1.749 1.00 0.00 C ATOM 1065 CD PRO A 69 23.656 -3.310 2.842 1.00 0.00 C ATOM 0 HA PRO A 69 22.610 -5.924 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.960 -6.461 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 69 21.585 -5.542 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 69 24.039 -4.554 1.093 1.00 0.00 H new ATOM 0 HG3 PRO A 69 22.432 -3.855 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 69 24.657 -2.926 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 69 22.990 -2.449 2.900 1.00 0.00 H new ATOM 1073 N LEU A 70 25.138 -6.516 5.100 1.00 0.00 N ATOM 1074 CA LEU A 70 26.378 -7.334 5.218 1.00 0.00 C ATOM 1075 C LEU A 70 27.402 -6.855 4.186 1.00 0.00 C ATOM 1076 O LEU A 70 27.363 -5.728 3.735 1.00 0.00 O ATOM 1077 CB LEU A 70 26.043 -8.804 4.962 1.00 0.00 C ATOM 1078 CG LEU A 70 26.652 -9.667 6.068 1.00 0.00 C ATOM 1079 CD1 LEU A 70 26.004 -9.313 7.408 1.00 0.00 C ATOM 1080 CD2 LEU A 70 26.402 -11.145 5.756 1.00 0.00 C ATOM 0 H LEU A 70 24.811 -6.095 5.970 1.00 0.00 H new ATOM 0 HA LEU A 70 26.794 -7.226 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.962 -8.942 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.430 -9.112 3.991 1.00 0.00 H new ATOM 0 HG LEU A 70 27.725 -9.482 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 70 26.438 -9.928 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 70 26.180 -8.261 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 70 24.931 -9.498 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 70 26.836 -11.761 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 70 25.329 -11.329 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.863 -11.398 4.801 1.00 0.00 H new ATOM 1092 N SER A 71 28.317 -7.704 3.805 1.00 0.00 N ATOM 1093 CA SER A 71 29.339 -7.295 2.801 1.00 0.00 C ATOM 1094 C SER A 71 28.812 -7.582 1.393 1.00 0.00 C ATOM 1095 O SER A 71 27.781 -8.200 1.221 1.00 0.00 O ATOM 1096 CB SER A 71 30.627 -8.084 3.034 1.00 0.00 C ATOM 1097 OG SER A 71 31.119 -7.804 4.338 1.00 0.00 O ATOM 0 H SER A 71 28.401 -8.662 4.145 1.00 0.00 H new ATOM 0 HA SER A 71 29.543 -6.229 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 71 30.438 -9.152 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 71 31.373 -7.815 2.286 1.00 0.00 H new ATOM 0 HG SER A 71 31.944 -8.310 4.492 1.00 0.00 H new ATOM 1103 N GLN A 72 29.511 -7.138 0.385 1.00 0.00 N ATOM 1104 CA GLN A 72 29.047 -7.386 -1.010 1.00 0.00 C ATOM 1105 C GLN A 72 30.127 -6.939 -1.997 1.00 0.00 C ATOM 1106 O GLN A 72 30.841 -5.985 -1.761 1.00 0.00 O ATOM 1107 CB GLN A 72 27.764 -6.593 -1.268 1.00 0.00 C ATOM 1108 CG GLN A 72 28.097 -5.102 -1.360 1.00 0.00 C ATOM 1109 CD GLN A 72 28.630 -4.615 -0.011 1.00 0.00 C ATOM 1110 OE1 GLN A 72 29.759 -4.179 0.088 1.00 0.00 O ATOM 1111 NE2 GLN A 72 27.858 -4.671 1.040 1.00 0.00 N ATOM 0 H GLN A 72 30.383 -6.615 0.466 1.00 0.00 H new ATOM 0 HA GLN A 72 28.852 -8.450 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 72 27.295 -6.930 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 72 27.048 -6.768 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 72 28.840 -4.932 -2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 72 27.208 -4.536 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 72 26.910 -5.037 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 72 28.203 -4.349 1.944 1.00 0.00 H new ATOM 1120 N GLU A 73 30.250 -7.618 -3.106 1.00 0.00 N ATOM 1121 CA GLU A 73 31.280 -7.228 -4.109 1.00 0.00 C ATOM 1122 C GLU A 73 30.592 -6.598 -5.322 1.00 0.00 C ATOM 1123 O GLU A 73 30.689 -7.090 -6.429 1.00 0.00 O ATOM 1124 CB GLU A 73 32.060 -8.469 -4.551 1.00 0.00 C ATOM 1125 CG GLU A 73 33.360 -8.565 -3.751 1.00 0.00 C ATOM 1126 CD GLU A 73 33.072 -9.176 -2.379 1.00 0.00 C ATOM 1127 OE1 GLU A 73 32.208 -10.034 -2.305 1.00 0.00 O ATOM 1128 OE2 GLU A 73 33.719 -8.774 -1.426 1.00 0.00 O ATOM 0 H GLU A 73 29.681 -8.426 -3.360 1.00 0.00 H new ATOM 0 HA GLU A 73 31.968 -6.509 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.458 -9.364 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.280 -8.413 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 73 34.085 -9.176 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.801 -7.575 -3.634 1.00 0.00 H new ATOM 1135 N GLU A 74 29.895 -5.512 -5.121 1.00 0.00 N ATOM 1136 CA GLU A 74 29.198 -4.851 -6.260 1.00 0.00 C ATOM 1137 C GLU A 74 30.209 -4.069 -7.101 1.00 0.00 C ATOM 1138 O GLU A 74 29.878 -3.523 -8.135 1.00 0.00 O ATOM 1139 CB GLU A 74 28.138 -3.889 -5.718 1.00 0.00 C ATOM 1140 CG GLU A 74 26.765 -4.559 -5.775 1.00 0.00 C ATOM 1141 CD GLU A 74 25.796 -3.813 -4.855 1.00 0.00 C ATOM 1142 OE1 GLU A 74 26.002 -2.629 -4.646 1.00 0.00 O ATOM 1143 OE2 GLU A 74 24.864 -4.438 -4.375 1.00 0.00 O ATOM 0 H GLU A 74 29.779 -5.055 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 74 28.722 -5.610 -6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 74 28.376 -3.610 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 74 28.131 -2.971 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 74 26.388 -4.555 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 74 26.844 -5.602 -5.469 1.00 0.00 H new ATOM 1150 N LEU A 75 31.438 -4.005 -6.668 1.00 0.00 N ATOM 1151 CA LEU A 75 32.460 -3.252 -7.448 1.00 0.00 C ATOM 1152 C LEU A 75 33.592 -4.195 -7.857 1.00 0.00 C ATOM 1153 O LEU A 75 33.857 -4.390 -9.027 1.00 0.00 O ATOM 1154 CB LEU A 75 33.020 -2.117 -6.590 1.00 0.00 C ATOM 1155 CG LEU A 75 32.000 -0.979 -6.525 1.00 0.00 C ATOM 1156 CD1 LEU A 75 31.738 -0.609 -5.063 1.00 0.00 C ATOM 1157 CD2 LEU A 75 32.548 0.240 -7.269 1.00 0.00 C ATOM 0 H LEU A 75 31.778 -4.440 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 75 31.999 -2.836 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 75 33.241 -2.480 -5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 75 33.958 -1.756 -7.012 1.00 0.00 H new ATOM 0 HG LEU A 75 31.068 -1.301 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 75 31.011 0.202 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 75 31.347 -1.477 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 75 32.669 -0.288 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 75 31.821 1.051 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 75 33.480 0.561 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 75 32.733 -0.022 -8.311 1.00 0.00 H new ATOM 1169 N GLN A 76 34.264 -4.782 -6.904 1.00 0.00 N ATOM 1170 CA GLN A 76 35.378 -5.711 -7.248 1.00 0.00 C ATOM 1171 C GLN A 76 36.052 -6.201 -5.965 1.00 0.00 C ATOM 1172 O GLN A 76 36.400 -7.359 -5.841 1.00 0.00 O ATOM 1173 CB GLN A 76 36.404 -4.977 -8.114 1.00 0.00 C ATOM 1174 CG GLN A 76 36.775 -3.650 -7.449 1.00 0.00 C ATOM 1175 CD GLN A 76 37.537 -2.773 -8.445 1.00 0.00 C ATOM 1176 OE1 GLN A 76 37.014 -1.789 -8.930 1.00 0.00 O ATOM 1177 NE2 GLN A 76 38.759 -3.090 -8.771 1.00 0.00 N ATOM 0 H GLN A 76 34.091 -4.659 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 76 34.981 -6.565 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 76 37.294 -5.593 -8.243 1.00 0.00 H new ATOM 0 HB3 GLN A 76 35.994 -4.796 -9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 76 35.875 -3.137 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 76 37.388 -3.833 -6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 76 39.198 -3.916 -8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 76 39.276 -2.512 -9.433 1.00 0.00 H new ATOM 1186 N ARG A 77 36.243 -5.332 -5.012 1.00 0.00 N ATOM 1187 CA ARG A 77 36.899 -5.754 -3.743 1.00 0.00 C ATOM 1188 C ARG A 77 36.150 -5.154 -2.552 1.00 0.00 C ATOM 1189 O ARG A 77 36.123 -3.954 -2.362 1.00 0.00 O ATOM 1190 CB ARG A 77 38.348 -5.267 -3.732 1.00 0.00 C ATOM 1191 CG ARG A 77 39.169 -6.135 -2.778 1.00 0.00 C ATOM 1192 CD ARG A 77 40.318 -5.309 -2.195 1.00 0.00 C ATOM 1193 NE ARG A 77 41.618 -5.896 -2.625 1.00 0.00 N ATOM 1194 CZ ARG A 77 42.739 -5.359 -2.230 1.00 0.00 C ATOM 1195 NH1 ARG A 77 42.740 -4.488 -1.257 1.00 0.00 N ATOM 1196 NH2 ARG A 77 43.860 -5.693 -2.809 1.00 0.00 N ATOM 0 H ARG A 77 35.974 -4.349 -5.057 1.00 0.00 H new ATOM 0 HA ARG A 77 36.880 -6.841 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 77 38.767 -5.316 -4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 77 38.390 -4.224 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 77 38.535 -6.512 -1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 77 39.563 -7.003 -3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 77 40.244 -4.275 -2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 77 40.255 -5.295 -1.107 1.00 0.00 H new ATOM 0 HE ARG A 77 41.631 -6.718 -3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 77 41.864 -4.227 -0.805 1.00 0.00 H new ATOM 0 HH12 ARG A 77 43.617 -4.069 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 77 43.858 -6.373 -3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 77 44.738 -5.274 -2.501 1.00 0.00 H new ATOM 1210 N ILE A 78 35.544 -5.980 -1.744 1.00 0.00 N ATOM 1211 CA ILE A 78 34.800 -5.459 -0.563 1.00 0.00 C ATOM 1212 C ILE A 78 33.748 -4.450 -1.027 1.00 0.00 C ATOM 1213 O ILE A 78 33.684 -3.380 -0.444 1.00 0.00 O ATOM 1214 CB ILE A 78 35.776 -4.772 0.394 1.00 0.00 C ATOM 1215 CG1 ILE A 78 37.072 -5.585 0.474 1.00 0.00 C ATOM 1216 CG2 ILE A 78 35.149 -4.679 1.786 1.00 0.00 C ATOM 1217 CD1 ILE A 78 38.189 -4.709 1.042 1.00 0.00 C ATOM 1218 OXT ILE A 78 33.022 -4.766 -1.955 1.00 0.00 O ATOM 0 H ILE A 78 35.532 -6.994 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 78 34.310 -6.286 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 78 35.996 -3.770 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 78 36.926 -6.461 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 78 37.348 -5.948 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 78 35.845 -4.189 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 78 34.227 -4.100 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 78 34.927 -5.681 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 78 39.111 -5.287 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 78 38.341 -3.847 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 78 37.912 -4.368 2.040 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.073 -7.863 1.575 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.069 0.116 -6.753 1.00 0.00 ZN