USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0107 (180deg=-0.0927) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -103:sc= -2.21! USER MOD Single : A 12 THR OG1 : rot -163:sc= 1.01 USER MOD Single : A 13 LYS NZ :NH3+ -126:sc= -2.37! (180deg=-6.21!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.00302 USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= 0.613 (180deg=-2.1!) USER MOD Single : A 22 MET CE :methyl -108:sc= -3.23! (180deg=-11.5!) USER MOD Single : A 24 ASN : amide:sc= -4.35! C(o=-4.3!,f=-4.2!) USER MOD Single : A 29 THR OG1 : rot -1:sc= 0.499 USER MOD Single : A 33 SER OG : rot -151:sc= -1.15! USER MOD Single : A 45 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.83) USER MOD Single : A 51 THR OG1 : rot 64:sc= 0.636 USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -0.0558 (180deg=-1.03) USER MOD Single : A 56 SER OG : rot 57:sc= 0.936 USER MOD Single : A 57 ASN : amide:sc= -16! C(o=-16!,f=-19!) USER MOD Single : A 61 GLN : amide:sc= -0.086 K(o=-0.086,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.009 -5.149 -7.056 1.00 0.00 N ATOM 2 CA MET A 1 -10.674 -6.344 -6.460 1.00 0.00 C ATOM 3 C MET A 1 -11.631 -5.915 -5.344 1.00 0.00 C ATOM 4 O MET A 1 -12.685 -6.491 -5.165 1.00 0.00 O ATOM 5 CB MET A 1 -9.534 -7.190 -5.893 1.00 0.00 C ATOM 6 CG MET A 1 -9.190 -8.310 -6.878 1.00 0.00 C ATOM 7 SD MET A 1 -7.863 -7.759 -7.978 1.00 0.00 S ATOM 8 CE MET A 1 -6.475 -8.254 -6.927 1.00 0.00 C ATOM 0 H1 MET A 1 -9.510 -5.427 -7.925 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.725 -4.430 -7.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.327 -4.756 -6.376 1.00 0.00 H new ATOM 0 HA MET A 1 -11.266 -6.895 -7.191 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.658 -6.566 -5.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.825 -7.613 -4.932 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.880 -9.203 -6.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.071 -8.580 -7.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.537 -8.002 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.535 -7.729 -5.974 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.516 -9.329 -6.752 1.00 0.00 H new ATOM 20 N ASP A 2 -11.269 -4.906 -4.596 1.00 0.00 N ATOM 21 CA ASP A 2 -12.152 -4.430 -3.490 1.00 0.00 C ATOM 22 C ASP A 2 -12.262 -5.502 -2.400 1.00 0.00 C ATOM 23 O ASP A 2 -11.928 -5.272 -1.255 1.00 0.00 O ATOM 24 CB ASP A 2 -13.516 -4.188 -4.140 1.00 0.00 C ATOM 25 CG ASP A 2 -13.329 -3.461 -5.474 1.00 0.00 C ATOM 26 OD1 ASP A 2 -12.410 -2.663 -5.566 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.105 -3.717 -6.378 1.00 0.00 O ATOM 0 H ASP A 2 -10.396 -4.389 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.763 -3.530 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -14.027 -5.137 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.146 -3.595 -3.477 1.00 0.00 H new ATOM 32 N ASP A 3 -12.731 -6.669 -2.748 1.00 0.00 N ATOM 33 CA ASP A 3 -12.867 -7.754 -1.733 1.00 0.00 C ATOM 34 C ASP A 3 -11.505 -8.395 -1.451 1.00 0.00 C ATOM 35 O ASP A 3 -11.377 -9.246 -0.594 1.00 0.00 O ATOM 36 CB ASP A 3 -13.817 -8.771 -2.365 1.00 0.00 C ATOM 37 CG ASP A 3 -14.245 -9.794 -1.311 1.00 0.00 C ATOM 38 OD1 ASP A 3 -14.232 -9.450 -0.141 1.00 0.00 O ATOM 39 OD2 ASP A 3 -14.577 -10.904 -1.693 1.00 0.00 O ATOM 0 H ASP A 3 -13.026 -6.919 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.243 -7.381 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.692 -8.264 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.326 -9.275 -3.198 1.00 0.00 H new ATOM 44 N GLN A 4 -10.488 -7.994 -2.164 1.00 0.00 N ATOM 45 CA GLN A 4 -9.138 -8.586 -1.931 1.00 0.00 C ATOM 46 C GLN A 4 -8.051 -7.677 -2.510 1.00 0.00 C ATOM 47 O GLN A 4 -7.214 -8.105 -3.280 1.00 0.00 O ATOM 48 CB GLN A 4 -9.161 -9.927 -2.665 1.00 0.00 C ATOM 49 CG GLN A 4 -8.159 -10.882 -2.013 1.00 0.00 C ATOM 50 CD GLN A 4 -8.247 -12.253 -2.686 1.00 0.00 C ATOM 51 OE1 GLN A 4 -7.543 -12.520 -3.641 1.00 0.00 O ATOM 52 NE2 GLN A 4 -9.087 -13.139 -2.226 1.00 0.00 N ATOM 0 H GLN A 4 -10.532 -7.285 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.919 -8.705 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.163 -10.355 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.911 -9.783 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.148 -10.484 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.369 -10.974 -0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.677 -12.915 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.153 -14.056 -2.667 1.00 0.00 H new ATOM 61 N GLY A 5 -8.055 -6.424 -2.143 1.00 0.00 N ATOM 62 CA GLY A 5 -7.019 -5.490 -2.670 1.00 0.00 C ATOM 63 C GLY A 5 -6.255 -4.867 -1.499 1.00 0.00 C ATOM 64 O GLY A 5 -5.538 -5.544 -0.790 1.00 0.00 O ATOM 0 H GLY A 5 -8.730 -6.007 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.331 -6.024 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.488 -4.710 -3.269 1.00 0.00 H new ATOM 68 N CYS A 6 -6.395 -3.581 -1.297 1.00 0.00 N ATOM 69 CA CYS A 6 -5.671 -2.918 -0.178 1.00 0.00 C ATOM 70 C CYS A 6 -5.638 -3.806 1.077 1.00 0.00 C ATOM 71 O CYS A 6 -6.660 -4.058 1.686 1.00 0.00 O ATOM 72 CB CYS A 6 -6.460 -1.631 0.111 1.00 0.00 C ATOM 73 SG CYS A 6 -5.969 -1.009 1.726 1.00 0.00 S ATOM 0 H CYS A 6 -6.980 -2.964 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.633 -2.721 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.262 -0.885 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.531 -1.831 0.092 1.00 0.00 H new ATOM 78 N PRO A 7 -4.453 -4.219 1.438 1.00 0.00 N ATOM 79 CA PRO A 7 -4.262 -5.046 2.645 1.00 0.00 C ATOM 80 C PRO A 7 -4.008 -4.162 3.883 1.00 0.00 C ATOM 81 O PRO A 7 -4.107 -4.616 5.004 1.00 0.00 O ATOM 82 CB PRO A 7 -3.017 -5.858 2.307 1.00 0.00 C ATOM 83 CG PRO A 7 -2.261 -5.043 1.293 1.00 0.00 C ATOM 84 CD PRO A 7 -3.186 -3.977 0.752 1.00 0.00 C ATOM 0 HA PRO A 7 -5.131 -5.659 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.412 -6.035 3.196 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.284 -6.835 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.384 -4.587 1.751 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.903 -5.681 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.805 -2.977 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.297 -4.058 -0.329 1.00 0.00 H new ATOM 92 N ARG A 8 -3.667 -2.908 3.690 1.00 0.00 N ATOM 93 CA ARG A 8 -3.394 -2.017 4.866 1.00 0.00 C ATOM 94 C ARG A 8 -4.606 -1.121 5.174 1.00 0.00 C ATOM 95 O ARG A 8 -5.236 -1.257 6.205 1.00 0.00 O ATOM 96 CB ARG A 8 -2.180 -1.172 4.456 1.00 0.00 C ATOM 97 CG ARG A 8 -1.287 -0.925 5.670 1.00 0.00 C ATOM 98 CD ARG A 8 0.178 -0.970 5.231 1.00 0.00 C ATOM 99 NE ARG A 8 0.870 0.021 6.102 1.00 0.00 N ATOM 100 CZ ARG A 8 1.154 -0.282 7.339 1.00 0.00 C ATOM 101 NH1 ARG A 8 2.265 -0.905 7.620 1.00 0.00 N ATOM 102 NH2 ARG A 8 0.324 0.037 8.295 1.00 0.00 N ATOM 0 H ARG A 8 -3.566 -2.465 2.777 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.203 -2.592 5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.616 -1.684 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.512 -0.222 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.517 0.043 6.115 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.474 -1.679 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.598 -1.968 5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.283 -0.711 4.177 1.00 0.00 H new ATOM 0 HE ARG A 8 1.122 0.937 5.731 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.912 -1.156 6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.486 -1.142 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.545 0.523 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.545 -0.199 9.262 1.00 0.00 H new ATOM 116 N CYS A 9 -4.946 -0.218 4.293 1.00 0.00 N ATOM 117 CA CYS A 9 -6.136 0.669 4.557 1.00 0.00 C ATOM 118 C CYS A 9 -7.391 0.086 3.902 1.00 0.00 C ATOM 119 O CYS A 9 -8.158 0.795 3.291 1.00 0.00 O ATOM 120 CB CYS A 9 -5.849 2.076 3.965 1.00 0.00 C ATOM 121 SG CYS A 9 -4.327 2.165 2.957 1.00 0.00 S ATOM 0 H CYS A 9 -4.463 -0.051 3.410 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.305 0.738 5.632 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.697 2.380 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -5.773 2.794 4.782 1.00 0.00 H new ATOM 126 N LYS A 10 -7.562 -1.214 3.990 1.00 0.00 N ATOM 127 CA LYS A 10 -8.724 -1.909 3.336 1.00 0.00 C ATOM 128 C LYS A 10 -9.936 -0.987 3.127 1.00 0.00 C ATOM 129 O LYS A 10 -10.875 -0.990 3.899 1.00 0.00 O ATOM 130 CB LYS A 10 -9.074 -3.059 4.286 1.00 0.00 C ATOM 131 CG LYS A 10 -9.753 -2.510 5.541 1.00 0.00 C ATOM 132 CD LYS A 10 -9.435 -3.412 6.734 1.00 0.00 C ATOM 133 CE LYS A 10 -9.786 -4.862 6.389 1.00 0.00 C ATOM 134 NZ LYS A 10 -10.861 -5.236 7.350 1.00 0.00 N ATOM 0 H LYS A 10 -6.933 -1.836 4.498 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.458 -2.248 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.734 -3.767 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.170 -3.604 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.409 -1.495 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.831 -2.457 5.390 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.378 -3.334 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.000 -3.089 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.129 -4.951 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.919 -5.514 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.155 -6.218 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.503 -5.148 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.676 -4.603 7.223 1.00 0.00 H new ATOM 148 N THR A 11 -9.943 -0.200 2.082 1.00 0.00 N ATOM 149 CA THR A 11 -11.118 0.690 1.862 1.00 0.00 C ATOM 150 C THR A 11 -11.088 1.298 0.460 1.00 0.00 C ATOM 151 O THR A 11 -12.091 1.407 -0.210 1.00 0.00 O ATOM 152 CB THR A 11 -10.963 1.789 2.926 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.224 2.391 3.170 1.00 0.00 O ATOM 154 CG2 THR A 11 -9.971 2.858 2.444 1.00 0.00 C ATOM 0 H THR A 11 -9.201 -0.136 1.385 1.00 0.00 H new ATOM 0 HA THR A 11 -12.064 0.154 1.943 1.00 0.00 H new ATOM 0 HB THR A 11 -10.584 1.342 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.264 3.261 2.720 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.870 3.631 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.000 2.398 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.338 3.305 1.520 1.00 0.00 H new ATOM 162 N THR A 12 -9.942 1.724 0.045 1.00 0.00 N ATOM 163 CA THR A 12 -9.790 2.385 -1.275 1.00 0.00 C ATOM 164 C THR A 12 -10.503 1.660 -2.425 1.00 0.00 C ATOM 165 O THR A 12 -11.691 1.819 -2.616 1.00 0.00 O ATOM 166 CB THR A 12 -8.289 2.415 -1.465 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.747 1.128 -1.204 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.726 3.428 -0.480 1.00 0.00 C ATOM 0 H THR A 12 -9.076 1.641 0.578 1.00 0.00 H new ATOM 0 HA THR A 12 -10.256 3.370 -1.291 1.00 0.00 H new ATOM 0 HB THR A 12 -8.032 2.692 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.779 1.202 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.642 3.477 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.156 4.409 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.976 3.125 0.537 1.00 0.00 H new ATOM 176 N LYS A 13 -9.786 0.913 -3.224 1.00 0.00 N ATOM 177 CA LYS A 13 -10.427 0.238 -4.393 1.00 0.00 C ATOM 178 C LYS A 13 -11.809 -0.306 -4.019 1.00 0.00 C ATOM 179 O LYS A 13 -12.678 -0.428 -4.858 1.00 0.00 O ATOM 180 CB LYS A 13 -9.436 -0.852 -4.822 1.00 0.00 C ATOM 181 CG LYS A 13 -9.771 -2.192 -4.176 1.00 0.00 C ATOM 182 CD LYS A 13 -9.255 -2.172 -2.746 1.00 0.00 C ATOM 183 CE LYS A 13 -9.452 -3.556 -2.109 1.00 0.00 C ATOM 184 NZ LYS A 13 -10.343 -3.341 -0.932 1.00 0.00 N ATOM 0 H LYS A 13 -8.786 0.741 -3.118 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.618 0.919 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.453 -0.955 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.424 -0.556 -4.545 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.848 -2.362 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.313 -3.008 -4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.199 -1.901 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.785 -1.415 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.902 -4.252 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.498 -3.985 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.894 -3.734 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.504 -2.322 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.253 -3.817 -1.094 1.00 0.00 H new ATOM 198 N TYR A 14 -12.040 -0.593 -2.768 1.00 0.00 N ATOM 199 CA TYR A 14 -13.388 -1.074 -2.375 1.00 0.00 C ATOM 200 C TYR A 14 -14.336 0.132 -2.379 1.00 0.00 C ATOM 201 O TYR A 14 -15.400 0.096 -2.964 1.00 0.00 O ATOM 202 CB TYR A 14 -13.215 -1.687 -0.977 1.00 0.00 C ATOM 203 CG TYR A 14 -14.340 -2.661 -0.701 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.513 -2.625 -1.469 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.205 -3.605 0.325 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.547 -3.531 -1.209 1.00 0.00 C ATOM 207 CE2 TYR A 14 -15.241 -4.511 0.583 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.412 -4.474 -0.184 1.00 0.00 C ATOM 209 OH TYR A 14 -17.431 -5.368 0.071 1.00 0.00 O ATOM 0 H TYR A 14 -11.361 -0.516 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.810 -1.820 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.255 -2.198 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.210 -0.900 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.618 -1.898 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.302 -3.634 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.450 -3.502 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -15.137 -5.239 1.374 1.00 0.00 H new ATOM 0 HH TYR A 14 -17.174 -5.954 0.814 1.00 0.00 H new ATOM 219 N ARG A 15 -13.924 1.219 -1.780 1.00 0.00 N ATOM 220 CA ARG A 15 -14.760 2.455 -1.798 1.00 0.00 C ATOM 221 C ARG A 15 -14.377 3.278 -3.029 1.00 0.00 C ATOM 222 O ARG A 15 -15.172 3.514 -3.917 1.00 0.00 O ATOM 223 CB ARG A 15 -14.402 3.215 -0.518 1.00 0.00 C ATOM 224 CG ARG A 15 -15.429 2.899 0.567 1.00 0.00 C ATOM 225 CD ARG A 15 -14.821 1.908 1.561 1.00 0.00 C ATOM 226 NE ARG A 15 -14.439 0.723 0.742 1.00 0.00 N ATOM 227 CZ ARG A 15 -15.281 -0.264 0.604 1.00 0.00 C ATOM 228 NH1 ARG A 15 -16.186 -0.225 -0.336 1.00 0.00 N ATOM 229 NH2 ARG A 15 -15.221 -1.290 1.409 1.00 0.00 N ATOM 0 H ARG A 15 -13.041 1.304 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.828 2.244 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.404 2.933 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.382 4.287 -0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.725 3.813 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.330 2.478 0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.954 2.336 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.538 1.637 2.336 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.525 0.684 0.292 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.235 0.578 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.844 -0.997 -0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.516 -1.320 2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.879 -2.062 1.301 1.00 0.00 H new ATOM 243 N ASN A 16 -13.141 3.693 -3.076 1.00 0.00 N ATOM 244 CA ASN A 16 -12.634 4.486 -4.230 1.00 0.00 C ATOM 245 C ASN A 16 -12.497 3.567 -5.457 1.00 0.00 C ATOM 246 O ASN A 16 -11.770 2.596 -5.419 1.00 0.00 O ATOM 247 CB ASN A 16 -11.267 4.987 -3.743 1.00 0.00 C ATOM 248 CG ASN A 16 -11.423 6.350 -3.072 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.457 6.980 -3.177 1.00 0.00 O ATOM 250 ND2 ASN A 16 -10.427 6.833 -2.382 1.00 0.00 N ATOM 0 H ASN A 16 -12.449 3.512 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.286 5.306 -4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.837 4.273 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.577 5.062 -4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.514 7.742 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.561 6.301 -2.296 1.00 0.00 H new ATOM 257 N PRO A 17 -13.231 3.885 -6.496 1.00 0.00 N ATOM 258 CA PRO A 17 -13.215 3.051 -7.732 1.00 0.00 C ATOM 259 C PRO A 17 -11.931 3.246 -8.549 1.00 0.00 C ATOM 260 O PRO A 17 -11.052 2.410 -8.509 1.00 0.00 O ATOM 261 CB PRO A 17 -14.435 3.541 -8.504 1.00 0.00 C ATOM 262 CG PRO A 17 -14.673 4.938 -8.022 1.00 0.00 C ATOM 263 CD PRO A 17 -14.135 5.033 -6.615 1.00 0.00 C ATOM 0 HA PRO A 17 -13.242 1.984 -7.510 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.254 3.521 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.301 2.907 -8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.175 5.657 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.737 5.174 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.608 5.973 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.937 4.986 -5.878 1.00 0.00 H new ATOM 271 N SER A 18 -11.813 4.331 -9.296 1.00 0.00 N ATOM 272 CA SER A 18 -10.568 4.557 -10.112 1.00 0.00 C ATOM 273 C SER A 18 -9.370 4.043 -9.321 1.00 0.00 C ATOM 274 O SER A 18 -8.420 3.507 -9.856 1.00 0.00 O ATOM 275 CB SER A 18 -10.481 6.071 -10.306 1.00 0.00 C ATOM 276 OG SER A 18 -10.998 6.723 -9.153 1.00 0.00 O ATOM 0 H SER A 18 -12.520 5.062 -9.374 1.00 0.00 H new ATOM 0 HA SER A 18 -10.584 4.040 -11.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.446 6.369 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.045 6.369 -11.190 1.00 0.00 H new ATOM 0 HG SER A 18 -10.942 7.694 -9.274 1.00 0.00 H new ATOM 282 N LEU A 19 -9.473 4.178 -8.035 1.00 0.00 N ATOM 283 CA LEU A 19 -8.441 3.687 -7.085 1.00 0.00 C ATOM 284 C LEU A 19 -7.641 2.512 -7.667 1.00 0.00 C ATOM 285 O LEU A 19 -8.182 1.695 -8.386 1.00 0.00 O ATOM 286 CB LEU A 19 -9.327 3.190 -5.943 1.00 0.00 C ATOM 287 CG LEU A 19 -8.537 3.087 -4.656 1.00 0.00 C ATOM 288 CD1 LEU A 19 -7.615 1.883 -4.751 1.00 0.00 C ATOM 289 CD2 LEU A 19 -7.737 4.372 -4.455 1.00 0.00 C ATOM 0 H LEU A 19 -10.267 4.630 -7.582 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.697 4.437 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.167 3.871 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.744 2.216 -6.198 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.202 2.959 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.037 1.794 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.209 0.981 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.936 2.010 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.166 4.304 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.054 4.510 -5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.419 5.220 -4.399 1.00 0.00 H new ATOM 301 N LYS A 20 -6.371 2.381 -7.345 1.00 0.00 N ATOM 302 CA LYS A 20 -5.621 1.215 -7.881 1.00 0.00 C ATOM 303 C LYS A 20 -4.542 0.783 -6.894 1.00 0.00 C ATOM 304 O LYS A 20 -4.121 1.543 -6.047 1.00 0.00 O ATOM 305 CB LYS A 20 -5.013 1.690 -9.199 1.00 0.00 C ATOM 306 CG LYS A 20 -4.274 3.010 -8.976 1.00 0.00 C ATOM 307 CD LYS A 20 -3.803 3.568 -10.320 1.00 0.00 C ATOM 308 CE LYS A 20 -5.010 3.792 -11.233 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.975 4.572 -10.410 1.00 0.00 N ATOM 0 H LYS A 20 -5.841 3.017 -6.750 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.263 0.348 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.326 0.938 -9.586 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.796 1.821 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.930 3.727 -8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.420 2.854 -8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.269 4.506 -10.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.104 2.875 -10.788 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.728 4.337 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.442 2.845 -11.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.500 5.230 -11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.642 3.922 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.458 5.110 -9.685 1.00 0.00 H new ATOM 323 N LEU A 21 -4.114 -0.444 -6.979 1.00 0.00 N ATOM 324 CA LEU A 21 -3.094 -0.932 -6.020 1.00 0.00 C ATOM 325 C LEU A 21 -1.748 -1.143 -6.701 1.00 0.00 C ATOM 326 O LEU A 21 -1.669 -1.495 -7.861 1.00 0.00 O ATOM 327 CB LEU A 21 -3.650 -2.268 -5.499 1.00 0.00 C ATOM 328 CG LEU A 21 -4.800 -2.051 -4.494 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.539 -0.736 -4.773 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.793 -3.211 -4.615 1.00 0.00 C ATOM 0 H LEU A 21 -4.427 -1.126 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.918 -0.213 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.007 -2.866 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.850 -2.834 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.377 -2.006 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.344 -0.610 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.842 0.098 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.957 -0.760 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.610 -3.066 -3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.192 -3.244 -5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.285 -4.150 -4.395 1.00 0.00 H new ATOM 342 N MET A 22 -0.686 -0.931 -5.976 1.00 0.00 N ATOM 343 CA MET A 22 0.662 -1.117 -6.561 1.00 0.00 C ATOM 344 C MET A 22 1.351 -2.301 -5.887 1.00 0.00 C ATOM 345 O MET A 22 1.153 -2.566 -4.720 1.00 0.00 O ATOM 346 CB MET A 22 1.436 0.195 -6.296 1.00 0.00 C ATOM 347 CG MET A 22 0.515 1.294 -5.740 1.00 0.00 C ATOM 348 SD MET A 22 1.483 2.785 -5.387 1.00 0.00 S ATOM 349 CE MET A 22 0.191 3.991 -5.772 1.00 0.00 C ATOM 0 H MET A 22 -0.698 -0.636 -5.000 1.00 0.00 H new ATOM 0 HA MET A 22 0.618 -1.328 -7.630 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.244 0.005 -5.590 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.897 0.540 -7.222 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.271 1.522 -6.460 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.024 0.945 -4.832 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.431 4.495 -6.708 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.766 3.480 -5.870 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.129 4.726 -4.970 1.00 0.00 H new ATOM 359 N VAL A 23 2.152 -3.023 -6.616 1.00 0.00 N ATOM 360 CA VAL A 23 2.850 -4.195 -6.018 1.00 0.00 C ATOM 361 C VAL A 23 4.361 -3.948 -6.011 1.00 0.00 C ATOM 362 O VAL A 23 4.873 -3.170 -6.791 1.00 0.00 O ATOM 363 CB VAL A 23 2.477 -5.371 -6.923 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.250 -6.622 -6.501 1.00 0.00 C ATOM 365 CG2 VAL A 23 0.976 -5.643 -6.807 1.00 0.00 C ATOM 0 H VAL A 23 2.355 -2.853 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 23 2.563 -4.383 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 23 2.731 -5.123 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.978 -7.454 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.320 -6.433 -6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.003 -6.872 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.707 -6.480 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.729 -5.886 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.421 -4.757 -7.114 1.00 0.00 H new ATOM 375 N ASN A 24 5.077 -4.581 -5.122 1.00 0.00 N ATOM 376 CA ASN A 24 6.551 -4.350 -5.058 1.00 0.00 C ATOM 377 C ASN A 24 7.338 -5.640 -5.321 1.00 0.00 C ATOM 378 O ASN A 24 6.781 -6.703 -5.497 1.00 0.00 O ATOM 379 CB ASN A 24 6.819 -3.840 -3.638 1.00 0.00 C ATOM 380 CG ASN A 24 5.944 -4.592 -2.633 1.00 0.00 C ATOM 381 OD1 ASN A 24 6.377 -5.553 -2.031 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.720 -4.190 -2.425 1.00 0.00 N ATOM 0 H ASN A 24 4.709 -5.245 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 24 6.871 -3.640 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.871 -3.975 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.613 -2.771 -3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.128 -4.683 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.356 -3.383 -2.931 1.00 0.00 H new ATOM 389 N VAL A 25 8.641 -5.517 -5.358 1.00 0.00 N ATOM 390 CA VAL A 25 9.548 -6.682 -5.615 1.00 0.00 C ATOM 391 C VAL A 25 8.913 -8.025 -5.202 1.00 0.00 C ATOM 392 O VAL A 25 8.400 -8.746 -6.035 1.00 0.00 O ATOM 393 CB VAL A 25 10.807 -6.375 -4.789 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.422 -5.751 -3.444 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.594 -7.662 -4.542 1.00 0.00 C ATOM 0 H VAL A 25 9.129 -4.632 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 25 9.763 -6.797 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 25 11.424 -5.671 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.324 -5.539 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.875 -4.824 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.793 -6.445 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.485 -7.437 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.971 -8.371 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.888 -8.097 -5.497 1.00 0.00 H new ATOM 405 N CYS A 26 8.961 -8.381 -3.939 1.00 0.00 N ATOM 406 CA CYS A 26 8.371 -9.690 -3.504 1.00 0.00 C ATOM 407 C CYS A 26 7.067 -9.968 -4.259 1.00 0.00 C ATOM 408 O CYS A 26 6.697 -11.104 -4.480 1.00 0.00 O ATOM 409 CB CYS A 26 8.106 -9.542 -2.004 1.00 0.00 C ATOM 410 SG CYS A 26 6.894 -8.227 -1.736 1.00 0.00 S ATOM 0 H CYS A 26 9.381 -7.825 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 26 9.040 -10.525 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.736 -10.482 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.033 -9.309 -1.481 1.00 0.00 H new ATOM 415 N GLY A 27 6.375 -8.940 -4.665 1.00 0.00 N ATOM 416 CA GLY A 27 5.104 -9.144 -5.416 1.00 0.00 C ATOM 417 C GLY A 27 3.982 -9.517 -4.448 1.00 0.00 C ATOM 418 O GLY A 27 3.744 -10.678 -4.178 1.00 0.00 O ATOM 0 H GLY A 27 6.635 -7.966 -4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.842 -8.235 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.232 -9.932 -6.158 1.00 0.00 H new ATOM 422 N HIS A 28 3.284 -8.545 -3.929 1.00 0.00 N ATOM 423 CA HIS A 28 2.174 -8.855 -2.984 1.00 0.00 C ATOM 424 C HIS A 28 0.974 -7.937 -3.250 1.00 0.00 C ATOM 425 O HIS A 28 0.204 -8.170 -4.160 1.00 0.00 O ATOM 426 CB HIS A 28 2.762 -8.627 -1.590 1.00 0.00 C ATOM 427 CG HIS A 28 3.233 -9.946 -1.054 1.00 0.00 C ATOM 428 ND1 HIS A 28 4.308 -10.065 -0.179 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.769 -11.221 -1.260 1.00 0.00 C ATOM 430 CE1 HIS A 28 4.443 -11.378 0.099 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.534 -12.120 -0.532 1.00 0.00 N ATOM 0 H HIS A 28 3.433 -7.554 -4.117 1.00 0.00 H new ATOM 0 HA HIS A 28 1.804 -9.874 -3.095 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.590 -7.920 -1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.012 -8.195 -0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.935 -11.484 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.199 -11.781 0.756 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.424 -13.133 -0.489 1.00 0.00 H new ATOM 439 N THR A 29 0.804 -6.899 -2.476 1.00 0.00 N ATOM 440 CA THR A 29 -0.351 -5.988 -2.711 1.00 0.00 C ATOM 441 C THR A 29 -0.213 -4.723 -1.864 1.00 0.00 C ATOM 442 O THR A 29 -0.035 -4.778 -0.663 1.00 0.00 O ATOM 443 CB THR A 29 -1.590 -6.778 -2.284 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.903 -7.741 -3.280 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.775 -5.822 -2.106 1.00 0.00 C ATOM 0 H THR A 29 1.411 -6.644 -1.697 1.00 0.00 H new ATOM 0 HA THR A 29 -0.410 -5.672 -3.753 1.00 0.00 H new ATOM 0 HB THR A 29 -1.389 -7.283 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.262 -7.668 -4.018 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.656 -6.387 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.535 -5.084 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.977 -5.314 -3.049 1.00 0.00 H new ATOM 453 N LEU A 30 -0.300 -3.586 -2.486 1.00 0.00 N ATOM 454 CA LEU A 30 -0.182 -2.304 -1.740 1.00 0.00 C ATOM 455 C LEU A 30 -1.021 -1.245 -2.459 1.00 0.00 C ATOM 456 O LEU A 30 -0.582 -0.628 -3.410 1.00 0.00 O ATOM 457 CB LEU A 30 1.305 -1.979 -1.801 1.00 0.00 C ATOM 458 CG LEU A 30 1.606 -0.688 -1.057 1.00 0.00 C ATOM 459 CD1 LEU A 30 2.453 -0.980 0.181 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.369 0.238 -1.985 1.00 0.00 C ATOM 0 H LEU A 30 -0.449 -3.487 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.537 -2.348 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.879 -2.797 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.619 -1.887 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 30 0.673 -0.221 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.663 -0.048 0.706 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.910 -1.655 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.391 -1.445 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.593 1.170 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.300 -0.240 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.763 0.450 -2.866 1.00 0.00 H new ATOM 472 N CYS A 31 -2.238 -1.065 -2.034 1.00 0.00 N ATOM 473 CA CYS A 31 -3.136 -0.086 -2.713 1.00 0.00 C ATOM 474 C CYS A 31 -2.516 1.313 -2.766 1.00 0.00 C ATOM 475 O CYS A 31 -1.613 1.638 -2.022 1.00 0.00 O ATOM 476 CB CYS A 31 -4.447 -0.092 -1.904 1.00 0.00 C ATOM 477 SG CYS A 31 -4.499 1.280 -0.726 1.00 0.00 S ATOM 0 H CYS A 31 -2.654 -1.555 -1.242 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.307 -0.365 -3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.296 -0.023 -2.584 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.543 -1.037 -1.369 1.00 0.00 H new ATOM 482 N GLU A 32 -3.026 2.150 -3.629 1.00 0.00 N ATOM 483 CA GLU A 32 -2.498 3.540 -3.715 1.00 0.00 C ATOM 484 C GLU A 32 -2.429 4.143 -2.298 1.00 0.00 C ATOM 485 O GLU A 32 -1.487 4.826 -1.946 1.00 0.00 O ATOM 486 CB GLU A 32 -3.483 4.315 -4.596 1.00 0.00 C ATOM 487 CG GLU A 32 -4.754 4.606 -3.810 1.00 0.00 C ATOM 488 CD GLU A 32 -5.422 3.283 -3.459 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.237 2.339 -4.197 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.071 3.226 -2.437 1.00 0.00 O ATOM 0 H GLU A 32 -3.783 1.931 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.494 3.578 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.030 5.248 -4.932 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.720 3.737 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.519 5.163 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.429 5.226 -4.399 1.00 0.00 H new ATOM 497 N SER A 33 -3.427 3.878 -1.483 1.00 0.00 N ATOM 498 CA SER A 33 -3.443 4.407 -0.091 1.00 0.00 C ATOM 499 C SER A 33 -2.462 3.625 0.790 1.00 0.00 C ATOM 500 O SER A 33 -2.131 4.052 1.879 1.00 0.00 O ATOM 501 CB SER A 33 -4.895 4.255 0.427 1.00 0.00 C ATOM 502 OG SER A 33 -5.683 5.316 -0.097 1.00 0.00 O ATOM 0 H SER A 33 -4.237 3.311 -1.733 1.00 0.00 H new ATOM 0 HA SER A 33 -3.132 5.451 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.306 3.293 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.911 4.276 1.517 1.00 0.00 H new ATOM 0 HG SER A 33 -6.412 5.521 0.526 1.00 0.00 H new ATOM 508 N CYS A 34 -1.959 2.500 0.333 1.00 0.00 N ATOM 509 CA CYS A 34 -0.977 1.760 1.179 1.00 0.00 C ATOM 510 C CYS A 34 0.405 2.388 0.972 1.00 0.00 C ATOM 511 O CYS A 34 1.063 2.781 1.914 1.00 0.00 O ATOM 512 CB CYS A 34 -0.981 0.306 0.706 1.00 0.00 C ATOM 513 SG CYS A 34 -2.263 -0.642 1.558 1.00 0.00 S ATOM 0 H CYS A 34 -2.181 2.074 -0.567 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.230 1.807 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.150 0.269 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.006 -0.144 0.891 1.00 0.00 H new ATOM 518 N VAL A 35 0.836 2.517 -0.262 1.00 0.00 N ATOM 519 CA VAL A 35 2.158 3.162 -0.522 1.00 0.00 C ATOM 520 C VAL A 35 2.294 4.409 0.367 1.00 0.00 C ATOM 521 O VAL A 35 3.379 4.827 0.707 1.00 0.00 O ATOM 522 CB VAL A 35 2.149 3.510 -2.036 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.430 4.998 -2.254 1.00 0.00 C ATOM 524 CG2 VAL A 35 3.252 2.732 -2.755 1.00 0.00 C ATOM 0 H VAL A 35 0.332 2.205 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 35 3.009 2.522 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 35 1.165 3.251 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.419 5.218 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.664 5.590 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.408 5.248 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.240 2.981 -3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.220 2.998 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.083 1.662 -2.631 1.00 0.00 H new ATOM 534 N ASP A 36 1.197 5.006 0.744 1.00 0.00 N ATOM 535 CA ASP A 36 1.274 6.221 1.607 1.00 0.00 C ATOM 536 C ASP A 36 1.520 5.827 3.075 1.00 0.00 C ATOM 537 O ASP A 36 2.498 6.226 3.670 1.00 0.00 O ATOM 538 CB ASP A 36 -0.078 6.939 1.394 1.00 0.00 C ATOM 539 CG ASP A 36 -0.961 6.864 2.648 1.00 0.00 C ATOM 540 OD1 ASP A 36 -0.546 7.381 3.672 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.034 6.292 2.558 1.00 0.00 O ATOM 0 H ASP A 36 0.254 4.708 0.494 1.00 0.00 H new ATOM 0 HA ASP A 36 2.105 6.878 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.100 7.983 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.602 6.487 0.552 1.00 0.00 H new ATOM 546 N LEU A 37 0.650 5.052 3.664 1.00 0.00 N ATOM 547 CA LEU A 37 0.854 4.657 5.088 1.00 0.00 C ATOM 548 C LEU A 37 2.056 3.722 5.219 1.00 0.00 C ATOM 549 O LEU A 37 2.736 3.702 6.223 1.00 0.00 O ATOM 550 CB LEU A 37 -0.433 3.937 5.488 1.00 0.00 C ATOM 551 CG LEU A 37 -1.242 4.828 6.431 1.00 0.00 C ATOM 552 CD1 LEU A 37 -0.377 5.222 7.630 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.683 6.088 5.684 1.00 0.00 C ATOM 0 H LEU A 37 -0.190 4.676 3.223 1.00 0.00 H new ATOM 0 HA LEU A 37 1.056 5.517 5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.020 3.700 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.197 2.992 5.976 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.120 4.285 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.954 5.857 8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.061 4.324 8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.501 5.766 7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.260 6.725 6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.804 6.630 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.299 5.808 4.830 1.00 0.00 H new ATOM 565 N LEU A 38 2.318 2.946 4.217 1.00 0.00 N ATOM 566 CA LEU A 38 3.470 2.008 4.284 1.00 0.00 C ATOM 567 C LEU A 38 4.789 2.768 4.469 1.00 0.00 C ATOM 568 O LEU A 38 5.622 2.398 5.274 1.00 0.00 O ATOM 569 CB LEU A 38 3.459 1.291 2.933 1.00 0.00 C ATOM 570 CG LEU A 38 3.993 -0.134 3.093 1.00 0.00 C ATOM 571 CD1 LEU A 38 5.448 -0.091 3.562 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.148 -0.877 4.129 1.00 0.00 C ATOM 0 H LEU A 38 1.784 2.917 3.348 1.00 0.00 H new ATOM 0 HA LEU A 38 3.388 1.322 5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.445 1.266 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.070 1.839 2.216 1.00 0.00 H new ATOM 0 HG LEU A 38 3.939 -0.650 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.824 -1.108 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.052 0.440 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.506 0.426 4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.526 -1.893 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.204 -0.357 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.111 -0.912 3.795 1.00 0.00 H new ATOM 584 N PHE A 39 5.007 3.796 3.697 1.00 0.00 N ATOM 585 CA PHE A 39 6.298 4.546 3.790 1.00 0.00 C ATOM 586 C PHE A 39 6.243 5.682 4.811 1.00 0.00 C ATOM 587 O PHE A 39 7.206 5.935 5.508 1.00 0.00 O ATOM 588 CB PHE A 39 6.537 5.098 2.387 1.00 0.00 C ATOM 589 CG PHE A 39 6.208 4.029 1.369 1.00 0.00 C ATOM 590 CD1 PHE A 39 6.278 2.675 1.729 1.00 0.00 C ATOM 591 CD2 PHE A 39 5.794 4.389 0.086 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.925 1.686 0.810 1.00 0.00 C ATOM 593 CE2 PHE A 39 5.454 3.398 -0.838 1.00 0.00 C ATOM 594 CZ PHE A 39 5.515 2.047 -0.472 1.00 0.00 C ATOM 0 H PHE A 39 4.349 4.152 3.004 1.00 0.00 H new ATOM 0 HA PHE A 39 7.102 3.893 4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.918 5.979 2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.575 5.413 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.606 2.397 2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.737 5.431 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.969 0.644 1.091 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.144 3.673 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.243 1.283 -1.186 1.00 0.00 H new ATOM 604 N VAL A 40 5.148 6.382 4.910 1.00 0.00 N ATOM 605 CA VAL A 40 5.107 7.499 5.898 1.00 0.00 C ATOM 606 C VAL A 40 5.556 6.983 7.266 1.00 0.00 C ATOM 607 O VAL A 40 5.965 7.739 8.125 1.00 0.00 O ATOM 608 CB VAL A 40 3.655 7.973 5.943 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.238 8.482 4.563 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.755 6.817 6.362 1.00 0.00 C ATOM 0 H VAL A 40 4.298 6.236 4.365 1.00 0.00 H new ATOM 0 HA VAL A 40 5.771 8.318 5.622 1.00 0.00 H new ATOM 0 HB VAL A 40 3.559 8.783 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.202 8.820 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.881 9.313 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.333 7.677 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.719 7.155 6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.849 6.004 5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.052 6.464 7.350 1.00 0.00 H new ATOM 620 N ARG A 41 5.487 5.696 7.469 1.00 0.00 N ATOM 621 CA ARG A 41 5.911 5.120 8.774 1.00 0.00 C ATOM 622 C ARG A 41 7.400 4.762 8.734 1.00 0.00 C ATOM 623 O ARG A 41 8.062 4.717 9.752 1.00 0.00 O ATOM 624 CB ARG A 41 5.066 3.855 8.947 1.00 0.00 C ATOM 625 CG ARG A 41 3.609 4.148 8.576 1.00 0.00 C ATOM 626 CD ARG A 41 2.893 4.773 9.775 1.00 0.00 C ATOM 627 NE ARG A 41 1.977 3.709 10.274 1.00 0.00 N ATOM 628 CZ ARG A 41 2.441 2.517 10.535 1.00 0.00 C ATOM 629 NH1 ARG A 41 3.050 2.287 11.666 1.00 0.00 N ATOM 630 NH2 ARG A 41 2.298 1.556 9.665 1.00 0.00 N ATOM 0 H ARG A 41 5.154 5.017 6.784 1.00 0.00 H new ATOM 0 HA ARG A 41 5.770 5.821 9.597 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.458 3.056 8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.125 3.506 9.978 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.569 4.824 7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.106 3.228 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.603 5.076 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.339 5.665 9.483 1.00 0.00 H new ATOM 0 HE ARG A 41 0.987 3.912 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.163 3.039 12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.412 1.356 11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.823 1.736 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.661 0.625 9.869 1.00 0.00 H new ATOM 644 N GLY A 42 7.934 4.504 7.568 1.00 0.00 N ATOM 645 CA GLY A 42 9.380 4.148 7.483 1.00 0.00 C ATOM 646 C GLY A 42 9.790 3.880 6.029 1.00 0.00 C ATOM 647 O GLY A 42 10.922 4.109 5.652 1.00 0.00 O ATOM 0 H GLY A 42 7.435 4.524 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.983 4.958 7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.578 3.265 8.090 1.00 0.00 H new ATOM 651 N ALA A 43 8.896 3.387 5.209 1.00 0.00 N ATOM 652 CA ALA A 43 9.278 3.102 3.785 1.00 0.00 C ATOM 653 C ALA A 43 10.259 1.930 3.739 1.00 0.00 C ATOM 654 O ALA A 43 11.391 2.037 4.171 1.00 0.00 O ATOM 655 CB ALA A 43 9.947 4.383 3.285 1.00 0.00 C ATOM 0 H ALA A 43 7.930 3.171 5.456 1.00 0.00 H new ATOM 0 HA ALA A 43 8.420 2.830 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.255 4.252 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.242 5.212 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.822 4.600 3.898 1.00 0.00 H new ATOM 661 N GLY A 44 9.831 0.812 3.225 1.00 0.00 N ATOM 662 CA GLY A 44 10.733 -0.369 3.156 1.00 0.00 C ATOM 663 C GLY A 44 10.097 -1.535 3.917 1.00 0.00 C ATOM 664 O GLY A 44 10.779 -2.403 4.425 1.00 0.00 O ATOM 0 H GLY A 44 8.894 0.665 2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.906 -0.649 2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.704 -0.125 3.586 1.00 0.00 H new ATOM 668 N ASN A 45 8.794 -1.560 4.003 1.00 0.00 N ATOM 669 CA ASN A 45 8.118 -2.668 4.736 1.00 0.00 C ATOM 670 C ASN A 45 6.840 -3.096 4.006 1.00 0.00 C ATOM 671 O ASN A 45 5.778 -2.549 4.220 1.00 0.00 O ATOM 672 CB ASN A 45 7.779 -2.085 6.109 1.00 0.00 C ATOM 673 CG ASN A 45 9.019 -1.408 6.696 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.832 -2.049 7.332 1.00 0.00 O ATOM 675 ND2 ASN A 45 9.199 -0.130 6.508 1.00 0.00 N ATOM 0 H ASN A 45 8.170 -0.862 3.598 1.00 0.00 H new ATOM 0 HA ASN A 45 8.749 -3.554 4.810 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.966 -1.364 6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.433 -2.875 6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.022 0.331 6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.516 0.408 5.974 1.00 0.00 H new ATOM 682 N CYS A 46 6.940 -4.078 3.151 1.00 0.00 N ATOM 683 CA CYS A 46 5.737 -4.560 2.407 1.00 0.00 C ATOM 684 C CYS A 46 4.522 -4.593 3.334 1.00 0.00 C ATOM 685 O CYS A 46 4.639 -4.911 4.502 1.00 0.00 O ATOM 686 CB CYS A 46 6.116 -5.971 1.968 1.00 0.00 C ATOM 687 SG CYS A 46 4.803 -6.725 0.968 1.00 0.00 S ATOM 0 H CYS A 46 7.807 -4.570 2.934 1.00 0.00 H new ATOM 0 HA CYS A 46 5.471 -3.918 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.041 -5.939 1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.308 -6.588 2.846 1.00 0.00 H new ATOM 692 N PRO A 47 3.393 -4.262 2.780 1.00 0.00 N ATOM 693 CA PRO A 47 2.131 -4.250 3.561 1.00 0.00 C ATOM 694 C PRO A 47 1.743 -5.666 4.002 1.00 0.00 C ATOM 695 O PRO A 47 0.787 -5.855 4.728 1.00 0.00 O ATOM 696 CB PRO A 47 1.116 -3.675 2.575 1.00 0.00 C ATOM 697 CG PRO A 47 1.685 -3.975 1.230 1.00 0.00 C ATOM 698 CD PRO A 47 3.175 -3.868 1.383 1.00 0.00 C ATOM 0 HA PRO A 47 2.201 -3.671 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.136 -4.135 2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.986 -2.603 2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.397 -4.972 0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.317 -3.271 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.700 -4.527 0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.529 -2.855 1.189 1.00 0.00 H new ATOM 706 N GLU A 48 2.468 -6.663 3.571 1.00 0.00 N ATOM 707 CA GLU A 48 2.111 -8.057 3.981 1.00 0.00 C ATOM 708 C GLU A 48 3.345 -8.889 4.403 1.00 0.00 C ATOM 709 O GLU A 48 3.251 -9.713 5.291 1.00 0.00 O ATOM 710 CB GLU A 48 1.407 -8.666 2.761 1.00 0.00 C ATOM 711 CG GLU A 48 2.426 -9.280 1.800 1.00 0.00 C ATOM 712 CD GLU A 48 2.569 -10.773 2.098 1.00 0.00 C ATOM 713 OE1 GLU A 48 3.181 -11.100 3.102 1.00 0.00 O ATOM 714 OE2 GLU A 48 2.063 -11.563 1.320 1.00 0.00 O ATOM 0 H GLU A 48 3.281 -6.578 2.961 1.00 0.00 H new ATOM 0 HA GLU A 48 1.471 -8.054 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.700 -9.430 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.831 -7.897 2.246 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.105 -9.133 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.390 -8.782 1.908 1.00 0.00 H new ATOM 721 N CYS A 49 4.496 -8.699 3.800 1.00 0.00 N ATOM 722 CA CYS A 49 5.686 -9.510 4.223 1.00 0.00 C ATOM 723 C CYS A 49 6.843 -8.597 4.647 1.00 0.00 C ATOM 724 O CYS A 49 7.968 -9.034 4.791 1.00 0.00 O ATOM 725 CB CYS A 49 6.060 -10.386 3.013 1.00 0.00 C ATOM 726 SG CYS A 49 7.098 -9.477 1.833 1.00 0.00 S ATOM 0 H CYS A 49 4.663 -8.031 3.047 1.00 0.00 H new ATOM 0 HA CYS A 49 5.462 -10.131 5.090 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.589 -11.275 3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.153 -10.727 2.514 1.00 0.00 H new ATOM 731 N GLY A 50 6.557 -7.341 4.870 1.00 0.00 N ATOM 732 CA GLY A 50 7.608 -6.371 5.312 1.00 0.00 C ATOM 733 C GLY A 50 8.977 -6.721 4.722 1.00 0.00 C ATOM 734 O GLY A 50 9.991 -6.600 5.380 1.00 0.00 O ATOM 0 H GLY A 50 5.626 -6.938 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.326 -5.363 5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.669 -6.370 6.400 1.00 0.00 H new ATOM 738 N THR A 51 9.028 -7.141 3.488 1.00 0.00 N ATOM 739 CA THR A 51 10.349 -7.476 2.879 1.00 0.00 C ATOM 740 C THR A 51 11.251 -6.237 2.915 1.00 0.00 C ATOM 741 O THR A 51 10.775 -5.122 2.837 1.00 0.00 O ATOM 742 CB THR A 51 10.021 -7.898 1.437 1.00 0.00 C ATOM 743 OG1 THR A 51 9.786 -9.298 1.404 1.00 0.00 O ATOM 744 CG2 THR A 51 11.183 -7.566 0.491 1.00 0.00 C ATOM 0 H THR A 51 8.220 -7.266 2.878 1.00 0.00 H new ATOM 0 HA THR A 51 10.881 -8.267 3.407 1.00 0.00 H new ATOM 0 HB THR A 51 9.136 -7.353 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.990 -9.509 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.926 -7.874 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.370 -6.492 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.079 -8.095 0.815 1.00 0.00 H new ATOM 752 N PRO A 52 12.530 -6.475 3.031 1.00 0.00 N ATOM 753 CA PRO A 52 13.509 -5.361 3.076 1.00 0.00 C ATOM 754 C PRO A 52 13.562 -4.649 1.723 1.00 0.00 C ATOM 755 O PRO A 52 14.437 -4.888 0.914 1.00 0.00 O ATOM 756 CB PRO A 52 14.832 -6.059 3.389 1.00 0.00 C ATOM 757 CG PRO A 52 14.639 -7.464 2.916 1.00 0.00 C ATOM 758 CD PRO A 52 13.183 -7.786 3.127 1.00 0.00 C ATOM 0 HA PRO A 52 13.260 -4.594 3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.665 -5.579 2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.054 -6.027 4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 52 14.910 -7.561 1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.274 -8.152 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.810 -8.477 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.010 -8.251 4.097 1.00 0.00 H new ATOM 766 N LEU A 53 12.623 -3.777 1.471 1.00 0.00 N ATOM 767 CA LEU A 53 12.604 -3.050 0.172 1.00 0.00 C ATOM 768 C LEU A 53 13.690 -1.970 0.151 1.00 0.00 C ATOM 769 O LEU A 53 14.309 -1.718 -0.863 1.00 0.00 O ATOM 770 CB LEU A 53 11.213 -2.419 0.103 1.00 0.00 C ATOM 771 CG LEU A 53 10.230 -3.414 -0.515 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.034 -4.598 0.432 1.00 0.00 C ATOM 773 CD2 LEU A 53 8.885 -2.721 -0.744 1.00 0.00 C ATOM 0 H LEU A 53 11.867 -3.537 2.112 1.00 0.00 H new ATOM 0 HA LEU A 53 12.800 -3.706 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.881 -2.136 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.245 -1.506 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 53 10.626 -3.772 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.333 -5.306 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.991 -5.092 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.638 -4.242 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.182 -3.428 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.493 -2.365 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.021 -1.876 -1.419 1.00 0.00 H new ATOM 785 N ARG A 54 13.927 -1.332 1.265 1.00 0.00 N ATOM 786 CA ARG A 54 14.975 -0.271 1.310 1.00 0.00 C ATOM 787 C ARG A 54 14.558 0.929 0.454 1.00 0.00 C ATOM 788 O ARG A 54 15.325 1.847 0.242 1.00 0.00 O ATOM 789 CB ARG A 54 16.231 -0.929 0.736 1.00 0.00 C ATOM 790 CG ARG A 54 17.411 -0.696 1.683 1.00 0.00 C ATOM 791 CD ARG A 54 18.687 -1.267 1.061 1.00 0.00 C ATOM 792 NE ARG A 54 19.345 -0.107 0.400 1.00 0.00 N ATOM 793 CZ ARG A 54 20.135 0.673 1.087 1.00 0.00 C ATOM 794 NH1 ARG A 54 21.298 0.237 1.487 1.00 0.00 N ATOM 795 NH2 ARG A 54 19.761 1.889 1.375 1.00 0.00 N ATOM 0 H ARG A 54 13.441 -1.499 2.146 1.00 0.00 H new ATOM 0 HA ARG A 54 15.136 0.104 2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.065 -1.998 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.454 -0.515 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.533 0.370 1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.218 -1.172 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.333 -1.708 1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.458 -2.053 0.342 1.00 0.00 H new ATOM 0 HE ARG A 54 19.179 0.078 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.591 -0.714 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.914 0.847 2.024 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.852 2.230 1.064 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.378 2.499 1.912 1.00 0.00 H new ATOM 809 N LYS A 55 13.350 0.930 -0.040 1.00 0.00 N ATOM 810 CA LYS A 55 12.892 2.074 -0.880 1.00 0.00 C ATOM 811 C LYS A 55 11.439 1.869 -1.313 1.00 0.00 C ATOM 812 O LYS A 55 10.994 0.758 -1.525 1.00 0.00 O ATOM 813 CB LYS A 55 13.820 2.069 -2.097 1.00 0.00 C ATOM 814 CG LYS A 55 13.409 3.188 -3.056 1.00 0.00 C ATOM 815 CD LYS A 55 12.223 2.726 -3.904 1.00 0.00 C ATOM 816 CE LYS A 55 12.479 3.075 -5.372 1.00 0.00 C ATOM 817 NZ LYS A 55 12.725 4.545 -5.381 1.00 0.00 N ATOM 0 H LYS A 55 12.662 0.191 0.101 1.00 0.00 H new ATOM 0 HA LYS A 55 12.930 3.021 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.854 2.208 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.769 1.105 -2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.141 4.082 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.247 3.455 -3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.081 1.651 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.307 3.206 -3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.337 2.529 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.623 2.814 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.306 4.962 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.291 4.975 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.749 4.726 -5.373 1.00 0.00 H new ATOM 831 N SER A 56 10.696 2.934 -1.448 1.00 0.00 N ATOM 832 CA SER A 56 9.272 2.802 -1.870 1.00 0.00 C ATOM 833 C SER A 56 9.197 2.215 -3.290 1.00 0.00 C ATOM 834 O SER A 56 9.014 2.933 -4.253 1.00 0.00 O ATOM 835 CB SER A 56 8.726 4.230 -1.855 1.00 0.00 C ATOM 836 OG SER A 56 9.467 5.025 -2.770 1.00 0.00 O ATOM 0 H SER A 56 11.013 3.889 -1.284 1.00 0.00 H new ATOM 0 HA SER A 56 8.704 2.139 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.670 4.231 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.797 4.648 -0.851 1.00 0.00 H new ATOM 0 HG SER A 56 9.426 4.621 -3.662 1.00 0.00 H new ATOM 842 N ASN A 57 9.347 0.922 -3.432 1.00 0.00 N ATOM 843 CA ASN A 57 9.295 0.308 -4.799 1.00 0.00 C ATOM 844 C ASN A 57 7.950 -0.394 -5.036 1.00 0.00 C ATOM 845 O ASN A 57 7.834 -1.594 -4.887 1.00 0.00 O ATOM 846 CB ASN A 57 10.439 -0.710 -4.817 1.00 0.00 C ATOM 847 CG ASN A 57 10.333 -1.621 -3.594 1.00 0.00 C ATOM 848 OD1 ASN A 57 10.904 -1.340 -2.560 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.618 -2.708 -3.674 1.00 0.00 N ATOM 0 H ASN A 57 9.503 0.266 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 57 9.394 1.058 -5.584 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.397 -1.304 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.399 -0.194 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.537 -3.326 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.140 -2.941 -4.544 1.00 0.00 H new ATOM 856 N PHE A 58 6.934 0.343 -5.402 1.00 0.00 N ATOM 857 CA PHE A 58 5.601 -0.288 -5.645 1.00 0.00 C ATOM 858 C PHE A 58 5.040 0.172 -6.994 1.00 0.00 C ATOM 859 O PHE A 58 4.799 1.343 -7.211 1.00 0.00 O ATOM 860 CB PHE A 58 4.711 0.186 -4.482 1.00 0.00 C ATOM 861 CG PHE A 58 5.369 -0.190 -3.174 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.566 0.419 -2.774 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.784 -1.174 -2.368 1.00 0.00 C ATOM 864 CE1 PHE A 58 7.171 0.043 -1.568 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.391 -1.549 -1.165 1.00 0.00 C ATOM 866 CZ PHE A 58 6.585 -0.941 -0.765 1.00 0.00 C ATOM 0 H PHE A 58 6.968 1.353 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 58 5.657 -1.376 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.566 1.265 -4.534 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.724 -0.272 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.021 1.177 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.862 -1.645 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.092 0.514 -1.257 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.937 -2.308 -0.545 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.054 -1.231 0.163 1.00 0.00 H new ATOM 876 N ARG A 59 4.824 -0.745 -7.902 1.00 0.00 N ATOM 877 CA ARG A 59 4.270 -0.356 -9.234 1.00 0.00 C ATOM 878 C ARG A 59 2.749 -0.378 -9.166 1.00 0.00 C ATOM 879 O ARG A 59 2.138 -1.400 -8.936 1.00 0.00 O ATOM 880 CB ARG A 59 4.790 -1.396 -10.227 1.00 0.00 C ATOM 881 CG ARG A 59 4.572 -2.808 -9.677 1.00 0.00 C ATOM 882 CD ARG A 59 4.656 -3.820 -10.823 1.00 0.00 C ATOM 883 NE ARG A 59 6.076 -4.273 -10.831 1.00 0.00 N ATOM 884 CZ ARG A 59 6.936 -3.747 -11.663 1.00 0.00 C ATOM 885 NH1 ARG A 59 6.648 -2.649 -12.311 1.00 0.00 N ATOM 886 NH2 ARG A 59 8.094 -4.322 -11.848 1.00 0.00 N ATOM 0 H ARG A 59 5.006 -1.741 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 59 4.573 0.647 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.276 -1.287 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.851 -1.231 -10.415 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.323 -3.035 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.599 -2.874 -9.190 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.975 -4.656 -10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.381 -3.364 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 59 6.379 -4.999 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.746 -2.195 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.326 -2.246 -12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.324 -5.178 -11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.768 -3.915 -12.496 1.00 0.00 H new ATOM 900 N VAL A 60 2.139 0.762 -9.317 1.00 0.00 N ATOM 901 CA VAL A 60 0.655 0.845 -9.204 1.00 0.00 C ATOM 902 C VAL A 60 -0.055 0.604 -10.537 1.00 0.00 C ATOM 903 O VAL A 60 0.420 0.961 -11.597 1.00 0.00 O ATOM 904 CB VAL A 60 0.405 2.255 -8.686 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.900 3.277 -9.711 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.093 2.455 -8.443 1.00 0.00 C ATOM 0 H VAL A 60 2.606 1.647 -9.515 1.00 0.00 H new ATOM 0 HA VAL A 60 0.257 0.073 -8.546 1.00 0.00 H new ATOM 0 HB VAL A 60 0.945 2.395 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.719 4.285 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.968 3.138 -9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.366 3.138 -10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.270 3.465 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.636 2.311 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.442 1.732 -7.706 1.00 0.00 H new ATOM 916 N GLN A 61 -1.205 -0.013 -10.463 1.00 0.00 N ATOM 917 CA GLN A 61 -2.005 -0.316 -11.684 1.00 0.00 C ATOM 918 C GLN A 61 -3.288 -1.048 -11.268 1.00 0.00 C ATOM 919 O GLN A 61 -3.359 -1.626 -10.200 1.00 0.00 O ATOM 920 CB GLN A 61 -1.114 -1.226 -12.531 1.00 0.00 C ATOM 921 CG GLN A 61 -0.781 -2.495 -11.742 1.00 0.00 C ATOM 922 CD GLN A 61 -0.232 -3.560 -12.692 1.00 0.00 C ATOM 923 OE1 GLN A 61 -0.231 -3.378 -13.894 1.00 0.00 O ATOM 924 NE2 GLN A 61 0.239 -4.675 -12.202 1.00 0.00 N ATOM 0 H GLN A 61 -1.631 -0.325 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.296 0.578 -12.236 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.621 -1.486 -13.460 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.197 -0.703 -12.803 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.048 -2.272 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.673 -2.867 -11.239 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.239 -4.829 -11.194 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.607 -5.392 -12.828 1.00 0.00 H new ATOM 933 N LEU A 62 -4.304 -1.027 -12.088 1.00 0.00 N ATOM 934 CA LEU A 62 -5.572 -1.724 -11.714 1.00 0.00 C ATOM 935 C LEU A 62 -6.247 -2.307 -12.959 1.00 0.00 C ATOM 936 O LEU A 62 -7.025 -1.649 -13.621 1.00 0.00 O ATOM 937 CB LEU A 62 -6.450 -0.637 -11.090 1.00 0.00 C ATOM 938 CG LEU A 62 -7.208 -1.203 -9.882 1.00 0.00 C ATOM 939 CD1 LEU A 62 -8.219 -2.247 -10.354 1.00 0.00 C ATOM 940 CD2 LEU A 62 -6.221 -1.857 -8.910 1.00 0.00 C ATOM 0 H LEU A 62 -4.313 -0.561 -12.995 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.399 -2.555 -11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.833 0.207 -10.780 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.157 -0.260 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.730 -0.391 -9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.756 -2.648 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.927 -1.783 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.696 -3.056 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.764 -2.257 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.694 -2.666 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.501 -1.114 -8.567 1.00 0.00 H new ATOM 952 N PHE A 63 -5.956 -3.538 -13.280 1.00 0.00 N ATOM 953 CA PHE A 63 -6.582 -4.166 -14.479 1.00 0.00 C ATOM 954 C PHE A 63 -6.103 -5.612 -14.628 1.00 0.00 C ATOM 955 O PHE A 63 -5.476 -5.971 -15.604 1.00 0.00 O ATOM 956 CB PHE A 63 -6.111 -3.322 -15.664 1.00 0.00 C ATOM 957 CG PHE A 63 -7.096 -3.454 -16.800 1.00 0.00 C ATOM 958 CD1 PHE A 63 -8.470 -3.367 -16.548 1.00 0.00 C ATOM 959 CD2 PHE A 63 -6.636 -3.663 -18.106 1.00 0.00 C ATOM 960 CE1 PHE A 63 -9.385 -3.490 -17.602 1.00 0.00 C ATOM 961 CE2 PHE A 63 -7.550 -3.786 -19.159 1.00 0.00 C ATOM 962 CZ PHE A 63 -8.924 -3.699 -18.907 1.00 0.00 C ATOM 0 H PHE A 63 -5.311 -4.137 -12.764 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.669 -4.196 -14.408 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.021 -2.277 -15.367 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.122 -3.648 -15.986 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.825 -3.205 -15.541 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.576 -3.729 -18.301 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.445 -3.424 -17.408 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.195 -3.948 -20.166 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.629 -3.793 -19.720 1.00 0.00 H new ATOM 972 N GLU A 64 -6.394 -6.444 -13.666 1.00 0.00 N ATOM 973 CA GLU A 64 -5.953 -7.866 -13.753 1.00 0.00 C ATOM 974 C GLU A 64 -6.857 -8.644 -14.714 1.00 0.00 C ATOM 975 O GLU A 64 -8.063 -8.494 -14.706 1.00 0.00 O ATOM 976 CB GLU A 64 -6.088 -8.410 -12.331 1.00 0.00 C ATOM 977 CG GLU A 64 -5.600 -9.860 -12.291 1.00 0.00 C ATOM 978 CD GLU A 64 -6.805 -10.802 -12.237 1.00 0.00 C ATOM 979 OE1 GLU A 64 -7.920 -10.310 -12.292 1.00 0.00 O ATOM 980 OE2 GLU A 64 -6.591 -11.999 -12.141 1.00 0.00 O ATOM 0 H GLU A 64 -6.917 -6.202 -12.825 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.935 -7.960 -14.131 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.506 -7.800 -11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.127 -8.356 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.995 -10.076 -13.172 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.963 -10.017 -11.421 1.00 0.00 H new ATOM 987 N ASP A 65 -6.283 -9.474 -15.542 1.00 0.00 N ATOM 988 CA ASP A 65 -7.109 -10.260 -16.503 1.00 0.00 C ATOM 989 C ASP A 65 -6.358 -11.522 -16.937 1.00 0.00 C ATOM 990 O ASP A 65 -6.330 -11.791 -18.126 1.00 0.00 O ATOM 991 CB ASP A 65 -7.326 -9.328 -17.695 1.00 0.00 C ATOM 992 CG ASP A 65 -8.201 -8.148 -17.268 1.00 0.00 C ATOM 993 OD1 ASP A 65 -9.288 -8.393 -16.769 1.00 0.00 O ATOM 994 OD2 ASP A 65 -7.771 -7.021 -17.446 1.00 0.00 O ATOM 995 OXT ASP A 65 -5.823 -12.195 -16.072 1.00 0.00 O ATOM 0 H ASP A 65 -5.278 -9.642 -15.595 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.052 -10.587 -16.065 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.367 -8.967 -18.067 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.802 -9.870 -18.512 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.262 0.464 1.397 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.710 -8.680 0.185 1.00 0.00 ZN