USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 CYS SG : rot -134:sc= 0.188 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -1.23 K(o=1,f=0.27) USER MOD Set 1.3: A 30 TYR OH : rot -38:sc= 0.26 USER MOD Set 1.4: A 51 CYS SG : rot -120:sc= 1.37 USER MOD Set 1.5: A 56 CYS SG : rot -161:sc= 0.458 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.983 USER MOD Single : A 13 THR OG1 : rot -161:sc= -0.907 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.0148 (180deg=0.0141) USER MOD Single : A 17 MET CE :methyl 176:sc=-0.00646 (180deg=-0.0424) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.642 (180deg=-3.15!) USER MOD Single : A 23 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 165:sc= -0.0733 (180deg=-0.379) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-5.6!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.499 9.325 8.375 1.00 0.00 N ATOM 67 CA PHE A 8 -0.119 8.004 8.403 1.00 0.00 C ATOM 68 C PHE A 8 0.889 6.941 8.829 1.00 0.00 C ATOM 69 O PHE A 8 1.876 6.691 8.135 1.00 0.00 O ATOM 70 CB PHE A 8 -0.692 7.658 7.027 1.00 0.00 C ATOM 71 CG PHE A 8 -1.931 8.434 6.681 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.839 9.670 6.061 1.00 0.00 C ATOM 73 CD2 PHE A 8 -3.186 7.929 6.976 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.976 10.387 5.740 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.327 8.641 6.657 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.222 9.872 6.040 1.00 0.00 C ATOM 0 HA PHE A 8 -0.929 8.024 9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.068 7.845 6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.919 6.592 6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.867 10.078 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.274 6.968 7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.890 11.348 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.300 8.235 6.890 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.112 10.431 5.793 1.00 0.00 H new ATOM 86 N THR A 9 0.634 6.318 9.975 1.00 0.00 N ATOM 87 CA THR A 9 1.519 5.283 10.495 1.00 0.00 C ATOM 88 C THR A 9 0.770 3.972 10.701 1.00 0.00 C ATOM 89 O THR A 9 -0.336 3.956 11.242 1.00 0.00 O ATOM 90 CB THR A 9 2.159 5.710 11.830 1.00 0.00 C ATOM 91 OG1 THR A 9 1.442 6.819 12.384 1.00 0.00 O ATOM 92 CG2 THR A 9 3.619 6.091 11.632 1.00 0.00 C ATOM 0 H THR A 9 -0.178 6.512 10.561 1.00 0.00 H new ATOM 0 HA THR A 9 2.305 5.137 9.754 1.00 0.00 H new ATOM 0 HB THR A 9 2.110 4.866 12.518 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.854 7.083 13.233 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.050 6.389 12.588 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.168 5.236 11.237 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.686 6.921 10.929 1.00 0.00 H new ATOM 100 N CYS A 10 1.379 2.874 10.267 1.00 0.00 N ATOM 101 CA CYS A 10 0.768 1.556 10.404 1.00 0.00 C ATOM 102 C CYS A 10 1.001 0.992 11.802 1.00 0.00 C ATOM 103 O CYS A 10 2.121 0.973 12.312 1.00 0.00 O ATOM 104 CB CYS A 10 1.333 0.598 9.354 1.00 0.00 C ATOM 105 SG CYS A 10 0.373 -0.920 9.148 1.00 0.00 S ATOM 0 H CYS A 10 2.295 2.870 9.818 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.306 1.662 10.249 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.385 1.115 8.396 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.354 0.335 9.630 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.876 -0.620 8.950 1.00 0.00 H new ATOM 111 N PRO A 11 -0.082 0.521 12.438 1.00 0.00 N ATOM 112 CA PRO A 11 -0.022 -0.051 13.786 1.00 0.00 C ATOM 113 C PRO A 11 0.698 -1.395 13.814 1.00 0.00 C ATOM 114 O PRO A 11 1.014 -1.918 14.883 1.00 0.00 O ATOM 115 CB PRO A 11 -1.496 -0.227 14.163 1.00 0.00 C ATOM 116 CG PRO A 11 -2.207 -0.351 12.860 1.00 0.00 C ATOM 117 CD PRO A 11 -1.449 0.512 11.890 1.00 0.00 C ATOM 0 HA PRO A 11 0.535 0.585 14.474 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.644 -1.113 14.781 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.863 0.625 14.735 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.229 -1.388 12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.243 -0.022 12.948 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.475 0.101 10.881 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.867 1.517 11.835 1.00 0.00 H new ATOM 125 N ILE A 12 0.956 -1.947 12.633 1.00 0.00 N ATOM 126 CA ILE A 12 1.641 -3.229 12.523 1.00 0.00 C ATOM 127 C ILE A 12 3.136 -3.035 12.292 1.00 0.00 C ATOM 128 O ILE A 12 3.959 -3.399 13.134 1.00 0.00 O ATOM 129 CB ILE A 12 1.062 -4.080 11.378 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.446 -4.260 11.560 1.00 0.00 C ATOM 131 CG2 ILE A 12 1.759 -5.431 11.318 1.00 0.00 C ATOM 132 CD1 ILE A 12 -1.123 -4.916 10.377 1.00 0.00 C ATOM 0 H ILE A 12 0.701 -1.527 11.739 1.00 0.00 H new ATOM 0 HA ILE A 12 1.486 -3.752 13.467 1.00 0.00 H new ATOM 0 HB ILE A 12 1.236 -3.561 10.435 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.627 -4.861 12.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.902 -3.285 11.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.339 -6.021 10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.825 -5.283 11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.613 -5.958 12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.190 -5.012 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.973 -4.305 9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.694 -5.905 10.215 1.00 0.00 H new ATOM 144 N THR A 13 3.482 -2.458 11.146 1.00 0.00 N ATOM 145 CA THR A 13 4.878 -2.214 10.804 1.00 0.00 C ATOM 146 C THR A 13 5.460 -1.082 11.641 1.00 0.00 C ATOM 147 O THR A 13 6.676 -0.973 11.798 1.00 0.00 O ATOM 148 CB THR A 13 5.038 -1.869 9.311 1.00 0.00 C ATOM 149 OG1 THR A 13 4.313 -0.673 9.004 1.00 0.00 O ATOM 150 CG2 THR A 13 4.541 -3.009 8.435 1.00 0.00 C ATOM 0 H THR A 13 2.815 -2.151 10.439 1.00 0.00 H new ATOM 0 HA THR A 13 5.421 -3.135 11.017 1.00 0.00 H new ATOM 0 HB THR A 13 6.098 -1.713 9.109 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.166 -0.619 8.037 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.664 -2.742 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.115 -3.910 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.487 -3.193 8.641 1.00 0.00 H new ATOM 158 N LYS A 14 4.584 -0.239 12.178 1.00 0.00 N ATOM 159 CA LYS A 14 5.011 0.886 13.002 1.00 0.00 C ATOM 160 C LYS A 14 5.847 1.870 12.189 1.00 0.00 C ATOM 161 O LYS A 14 6.867 2.369 12.663 1.00 0.00 O ATOM 162 CB LYS A 14 5.815 0.388 14.204 1.00 0.00 C ATOM 163 CG LYS A 14 5.184 -0.801 14.908 1.00 0.00 C ATOM 164 CD LYS A 14 3.829 -0.446 15.496 1.00 0.00 C ATOM 165 CE LYS A 14 3.655 -1.033 16.889 1.00 0.00 C ATOM 166 NZ LYS A 14 3.511 -2.515 16.852 1.00 0.00 N ATOM 0 H LYS A 14 3.574 -0.314 12.057 1.00 0.00 H new ATOM 0 HA LYS A 14 4.119 1.402 13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.816 0.113 13.872 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.928 1.204 14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.071 -1.625 14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.846 -1.149 15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.723 0.638 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.039 -0.816 14.843 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.514 -0.767 17.505 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.776 -0.594 17.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.344 -2.872 17.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.707 -2.771 16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.381 -2.939 16.472 1.00 0.00 H new ATOM 180 N GLU A 15 5.406 2.144 10.965 1.00 0.00 N ATOM 181 CA GLU A 15 6.115 3.069 10.089 1.00 0.00 C ATOM 182 C GLU A 15 5.160 3.708 9.085 1.00 0.00 C ATOM 183 O GLU A 15 4.002 3.306 8.973 1.00 0.00 O ATOM 184 CB GLU A 15 7.240 2.344 9.348 1.00 0.00 C ATOM 185 CG GLU A 15 6.762 1.160 8.524 1.00 0.00 C ATOM 186 CD GLU A 15 7.812 0.668 7.547 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.999 1.010 7.729 1.00 0.00 O ATOM 188 OE2 GLU A 15 7.446 -0.059 6.599 1.00 0.00 O ATOM 0 H GLU A 15 4.563 1.739 10.558 1.00 0.00 H new ATOM 0 HA GLU A 15 6.545 3.857 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.747 3.052 8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.977 1.998 10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.483 0.346 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.864 1.443 7.975 1.00 0.00 H new ATOM 195 N GLU A 16 5.654 4.706 8.359 1.00 0.00 N ATOM 196 CA GLU A 16 4.844 5.401 7.365 1.00 0.00 C ATOM 197 C GLU A 16 4.189 4.410 6.407 1.00 0.00 C ATOM 198 O GLU A 16 4.756 3.362 6.099 1.00 0.00 O ATOM 199 CB GLU A 16 5.701 6.396 6.581 1.00 0.00 C ATOM 200 CG GLU A 16 4.914 7.568 6.020 1.00 0.00 C ATOM 201 CD GLU A 16 5.656 8.885 6.149 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.459 9.205 5.248 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.432 9.595 7.152 1.00 0.00 O ATOM 0 H GLU A 16 6.610 5.051 8.440 1.00 0.00 H new ATOM 0 HA GLU A 16 4.059 5.945 7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.488 6.776 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.191 5.872 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.692 7.382 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.959 7.641 6.540 1.00 0.00 H new ATOM 210 N MET A 17 2.993 4.750 5.940 1.00 0.00 N ATOM 211 CA MET A 17 2.261 3.891 5.016 1.00 0.00 C ATOM 212 C MET A 17 2.270 4.476 3.607 1.00 0.00 C ATOM 213 O MET A 17 1.830 5.605 3.389 1.00 0.00 O ATOM 214 CB MET A 17 0.820 3.703 5.493 1.00 0.00 C ATOM 215 CG MET A 17 0.709 3.358 6.969 1.00 0.00 C ATOM 216 SD MET A 17 -0.830 2.507 7.370 1.00 0.00 S ATOM 217 CE MET A 17 -2.020 3.821 7.113 1.00 0.00 C ATOM 0 H MET A 17 2.510 5.614 6.186 1.00 0.00 H new ATOM 0 HA MET A 17 2.757 2.921 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.259 4.617 5.299 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.352 2.912 4.907 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.552 2.730 7.256 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.778 4.273 7.558 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.028 3.431 7.253 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.838 4.622 7.830 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.919 4.211 6.100 1.00 0.00 H new ATOM 227 N LYS A 18 2.775 3.701 2.653 1.00 0.00 N ATOM 228 CA LYS A 18 2.840 4.141 1.264 1.00 0.00 C ATOM 229 C LYS A 18 1.599 3.702 0.495 1.00 0.00 C ATOM 230 O LYS A 18 1.138 4.398 -0.410 1.00 0.00 O ATOM 231 CB LYS A 18 4.095 3.582 0.590 1.00 0.00 C ATOM 232 CG LYS A 18 5.371 3.830 1.376 1.00 0.00 C ATOM 233 CD LYS A 18 5.744 5.303 1.384 1.00 0.00 C ATOM 234 CE LYS A 18 7.247 5.497 1.511 1.00 0.00 C ATOM 235 NZ LYS A 18 7.907 5.607 0.181 1.00 0.00 N ATOM 0 H LYS A 18 3.145 2.765 2.816 1.00 0.00 H new ATOM 0 HA LYS A 18 2.884 5.230 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.971 2.509 0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.195 4.029 -0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.242 3.481 2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.185 3.250 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.392 5.774 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.240 5.802 2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.449 6.397 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.676 4.659 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.930 5.738 0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.736 4.738 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.516 6.422 -0.334 1.00 0.00 H new ATOM 249 N LYS A 19 1.060 2.544 0.861 1.00 0.00 N ATOM 250 CA LYS A 19 -0.130 2.013 0.208 1.00 0.00 C ATOM 251 C LYS A 19 -1.232 1.737 1.226 1.00 0.00 C ATOM 252 O LYS A 19 -1.409 0.612 1.695 1.00 0.00 O ATOM 253 CB LYS A 19 0.210 0.729 -0.552 1.00 0.00 C ATOM 254 CG LYS A 19 0.922 0.974 -1.871 1.00 0.00 C ATOM 255 CD LYS A 19 2.432 0.980 -1.696 1.00 0.00 C ATOM 256 CE LYS A 19 3.143 0.557 -2.973 1.00 0.00 C ATOM 257 NZ LYS A 19 2.952 1.548 -4.068 1.00 0.00 N ATOM 0 H LYS A 19 1.429 1.955 1.607 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.491 2.761 -0.498 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.837 0.099 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.709 0.175 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.641 0.201 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.599 1.928 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.762 1.978 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.708 0.307 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.208 0.437 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.767 -0.415 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.451 1.224 -4.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.938 1.644 -4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.333 2.469 -3.773 1.00 0.00 H new ATOM 271 N PRO A 20 -1.992 2.785 1.576 1.00 0.00 N ATOM 272 CA PRO A 20 -3.091 2.679 2.540 1.00 0.00 C ATOM 273 C PRO A 20 -4.270 1.883 1.991 1.00 0.00 C ATOM 274 O PRO A 20 -4.739 2.135 0.881 1.00 0.00 O ATOM 275 CB PRO A 20 -3.495 4.136 2.779 1.00 0.00 C ATOM 276 CG PRO A 20 -3.078 4.853 1.541 1.00 0.00 C ATOM 277 CD PRO A 20 -1.838 4.154 1.056 1.00 0.00 C ATOM 0 HA PRO A 20 -2.789 2.152 3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.568 4.227 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.999 4.545 3.659 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.865 4.820 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.878 5.904 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.770 4.165 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.934 4.629 1.437 1.00 0.00 H new ATOM 285 N VAL A 21 -4.745 0.920 2.775 1.00 0.00 N ATOM 286 CA VAL A 21 -5.870 0.088 2.367 1.00 0.00 C ATOM 287 C VAL A 21 -6.933 0.028 3.459 1.00 0.00 C ATOM 288 O VAL A 21 -6.625 -0.194 4.630 1.00 0.00 O ATOM 289 CB VAL A 21 -5.416 -1.345 2.030 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.396 -1.329 0.901 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.847 -2.028 3.264 1.00 0.00 C ATOM 0 H VAL A 21 -4.368 0.697 3.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.295 0.546 1.474 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.284 -1.914 1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.086 -2.350 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.843 -0.881 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.527 -0.745 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.531 -3.039 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.990 -1.463 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.611 -2.072 4.040 1.00 0.00 H new ATOM 301 N LYS A 22 -8.187 0.226 3.067 1.00 0.00 N ATOM 302 CA LYS A 22 -9.298 0.193 4.011 1.00 0.00 C ATOM 303 C LYS A 22 -9.955 -1.183 4.030 1.00 0.00 C ATOM 304 O LYS A 22 -9.949 -1.898 3.029 1.00 0.00 O ATOM 305 CB LYS A 22 -10.334 1.260 3.648 1.00 0.00 C ATOM 306 CG LYS A 22 -11.513 1.313 4.604 1.00 0.00 C ATOM 307 CD LYS A 22 -12.736 0.627 4.020 1.00 0.00 C ATOM 308 CE LYS A 22 -13.700 1.632 3.407 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.570 1.007 2.373 1.00 0.00 N ATOM 0 H LYS A 22 -8.460 0.411 2.102 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.904 0.401 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.848 2.235 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.702 1.069 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.241 0.835 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.752 2.352 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.424 -0.090 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.245 0.062 4.801 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.321 2.064 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.136 2.451 2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.443 1.502 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.311 0.006 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.565 1.076 2.669 1.00 0.00 H new ATOM 323 N ASN A 23 -10.523 -1.547 5.175 1.00 0.00 N ATOM 324 CA ASN A 23 -11.185 -2.838 5.324 1.00 0.00 C ATOM 325 C ASN A 23 -12.691 -2.703 5.120 1.00 0.00 C ATOM 326 O ASN A 23 -13.363 -1.963 5.839 1.00 0.00 O ATOM 327 CB ASN A 23 -10.897 -3.426 6.706 1.00 0.00 C ATOM 328 CG ASN A 23 -10.374 -4.848 6.632 1.00 0.00 C ATOM 329 OD1 ASN A 23 -9.360 -5.115 5.986 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.065 -5.768 7.295 1.00 0.00 N ATOM 0 H ASN A 23 -10.538 -0.966 6.013 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.791 -3.510 4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.167 -2.800 7.219 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.809 -3.408 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.761 -6.742 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.900 -5.501 7.817 1.00 0.00 H new ATOM 337 N LYS A 24 -13.216 -3.424 4.134 1.00 0.00 N ATOM 338 CA LYS A 24 -14.643 -3.387 3.836 1.00 0.00 C ATOM 339 C LYS A 24 -15.457 -3.940 5.001 1.00 0.00 C ATOM 340 O LYS A 24 -16.643 -3.642 5.139 1.00 0.00 O ATOM 341 CB LYS A 24 -14.939 -4.189 2.566 1.00 0.00 C ATOM 342 CG LYS A 24 -13.970 -3.910 1.430 1.00 0.00 C ATOM 343 CD LYS A 24 -14.697 -3.728 0.109 1.00 0.00 C ATOM 344 CE LYS A 24 -15.376 -5.014 -0.336 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.764 -4.771 -0.818 1.00 0.00 N ATOM 0 H LYS A 24 -12.675 -4.041 3.528 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.930 -2.347 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.911 -5.252 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.952 -3.964 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.393 -3.013 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.260 -4.733 1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.441 -2.938 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.990 -3.406 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.791 -5.477 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.398 -5.719 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.192 -5.672 -1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.329 -4.353 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.741 -4.118 -1.627 1.00 0.00 H new ATOM 359 N VAL A 25 -14.812 -4.747 5.837 1.00 0.00 N ATOM 360 CA VAL A 25 -15.476 -5.340 6.992 1.00 0.00 C ATOM 361 C VAL A 25 -15.602 -4.333 8.130 1.00 0.00 C ATOM 362 O VAL A 25 -16.706 -3.926 8.494 1.00 0.00 O ATOM 363 CB VAL A 25 -14.717 -6.580 7.500 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.538 -7.316 8.549 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.368 -7.502 6.342 1.00 0.00 C ATOM 0 H VAL A 25 -13.830 -5.005 5.736 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.471 -5.641 6.665 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.788 -6.251 7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.986 -8.189 8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.733 -6.651 9.391 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.484 -7.635 8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.832 -8.373 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.283 -7.826 5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.738 -6.969 5.630 1.00 0.00 H new ATOM 375 N CYS A 26 -14.464 -3.935 8.689 1.00 0.00 N ATOM 376 CA CYS A 26 -14.446 -2.975 9.786 1.00 0.00 C ATOM 377 C CYS A 26 -14.503 -1.545 9.259 1.00 0.00 C ATOM 378 O CYS A 26 -15.436 -0.800 9.554 1.00 0.00 O ATOM 379 CB CYS A 26 -13.189 -3.167 10.637 1.00 0.00 C ATOM 380 SG CYS A 26 -13.020 -1.964 11.995 1.00 0.00 S ATOM 0 H CYS A 26 -13.542 -4.263 8.400 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.326 -3.150 10.404 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.197 -4.173 11.056 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.313 -3.097 9.993 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.805 -1.502 12.016 1.00 0.00 H new ATOM 385 N GLY A 27 -13.497 -1.168 8.475 1.00 0.00 N ATOM 386 CA GLY A 27 -13.452 0.172 7.918 1.00 0.00 C ATOM 387 C GLY A 27 -12.129 0.863 8.178 1.00 0.00 C ATOM 388 O GLY A 27 -11.789 1.840 7.510 1.00 0.00 O ATOM 0 H GLY A 27 -12.713 -1.766 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.627 0.122 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.259 0.767 8.345 1.00 0.00 H new ATOM 392 N HIS A 28 -11.380 0.357 9.153 1.00 0.00 N ATOM 393 CA HIS A 28 -10.086 0.934 9.500 1.00 0.00 C ATOM 394 C HIS A 28 -9.157 0.955 8.290 1.00 0.00 C ATOM 395 O HIS A 28 -9.530 0.519 7.200 1.00 0.00 O ATOM 396 CB HIS A 28 -9.440 0.143 10.639 1.00 0.00 C ATOM 397 CG HIS A 28 -9.776 0.670 12.000 1.00 0.00 C ATOM 398 ND1 HIS A 28 -10.225 -0.132 13.028 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.726 1.927 12.500 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.437 0.609 14.101 1.00 0.00 C ATOM 401 NE2 HIS A 28 -10.141 1.862 13.807 1.00 0.00 N ATOM 0 H HIS A 28 -11.647 -0.451 9.716 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.251 1.961 9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.757 -0.898 10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.358 0.155 10.511 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.417 2.816 11.969 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.792 0.251 15.056 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.210 2.653 14.447 1.00 0.00 H new ATOM 409 N THR A 29 -7.946 1.465 8.488 1.00 0.00 N ATOM 410 CA THR A 29 -6.965 1.545 7.413 1.00 0.00 C ATOM 411 C THR A 29 -5.641 0.914 7.828 1.00 0.00 C ATOM 412 O THR A 29 -5.217 1.037 8.978 1.00 0.00 O ATOM 413 CB THR A 29 -6.714 3.004 6.988 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.265 3.899 7.961 1.00 0.00 O ATOM 415 CG2 THR A 29 -7.332 3.285 5.626 1.00 0.00 C ATOM 0 H THR A 29 -7.621 1.829 9.384 1.00 0.00 H new ATOM 0 HA THR A 29 -7.378 0.994 6.568 1.00 0.00 H new ATOM 0 HB THR A 29 -5.637 3.159 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.100 4.825 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.142 4.321 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.890 2.622 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.407 3.113 5.672 1.00 0.00 H new ATOM 423 N TYR A 30 -4.991 0.239 6.887 1.00 0.00 N ATOM 424 CA TYR A 30 -3.715 -0.412 7.156 1.00 0.00 C ATOM 425 C TYR A 30 -2.780 -0.296 5.956 1.00 0.00 C ATOM 426 O TYR A 30 -3.163 0.214 4.904 1.00 0.00 O ATOM 427 CB TYR A 30 -3.935 -1.886 7.504 1.00 0.00 C ATOM 428 CG TYR A 30 -5.272 -2.162 8.154 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.511 -1.804 9.475 1.00 0.00 C ATOM 430 CD2 TYR A 30 -6.295 -2.780 7.447 1.00 0.00 C ATOM 431 CE1 TYR A 30 -6.731 -2.055 10.073 1.00 0.00 C ATOM 432 CE2 TYR A 30 -7.519 -3.034 8.036 1.00 0.00 C ATOM 433 CZ TYR A 30 -7.732 -2.669 9.349 1.00 0.00 C ATOM 434 OH TYR A 30 -8.948 -2.921 9.940 1.00 0.00 O ATOM 0 H TYR A 30 -5.327 0.128 5.930 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.251 0.091 8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.853 -2.481 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.140 -2.215 8.173 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.730 -1.321 10.044 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.131 -3.067 6.419 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.900 -1.772 11.101 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.304 -3.515 7.472 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.809 -3.192 10.872 1.00 0.00 H new ATOM 444 N GLU A 31 -1.550 -0.773 6.124 1.00 0.00 N ATOM 445 CA GLU A 31 -0.559 -0.722 5.056 1.00 0.00 C ATOM 446 C GLU A 31 -0.591 -2.000 4.223 1.00 0.00 C ATOM 447 O GLU A 31 -0.825 -3.088 4.748 1.00 0.00 O ATOM 448 CB GLU A 31 0.840 -0.513 5.637 1.00 0.00 C ATOM 449 CG GLU A 31 1.955 -0.694 4.621 1.00 0.00 C ATOM 450 CD GLU A 31 3.158 0.181 4.913 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.392 0.494 6.099 1.00 0.00 O ATOM 452 OE2 GLU A 31 3.867 0.554 3.954 1.00 0.00 O ATOM 0 H GLU A 31 -1.217 -1.199 6.989 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.804 0.120 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.903 0.490 6.058 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.991 -1.213 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.265 -1.739 4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.575 -0.463 3.626 1.00 0.00 H new ATOM 459 N GLU A 32 -0.353 -1.859 2.923 1.00 0.00 N ATOM 460 CA GLU A 32 -0.356 -3.002 2.018 1.00 0.00 C ATOM 461 C GLU A 32 0.589 -4.092 2.516 1.00 0.00 C ATOM 462 O GLU A 32 0.153 -5.169 2.923 1.00 0.00 O ATOM 463 CB GLU A 32 0.049 -2.566 0.608 1.00 0.00 C ATOM 464 CG GLU A 32 -0.365 -3.547 -0.475 1.00 0.00 C ATOM 465 CD GLU A 32 -0.022 -3.057 -1.869 1.00 0.00 C ATOM 466 OE1 GLU A 32 0.803 -2.127 -1.985 1.00 0.00 O ATOM 467 OE2 GLU A 32 -0.579 -3.605 -2.843 1.00 0.00 O ATOM 0 H GLU A 32 -0.156 -0.965 2.473 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.368 -3.407 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.396 -1.594 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.131 -2.435 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.126 -4.504 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.439 -3.723 -0.410 1.00 0.00 H new ATOM 474 N ASP A 33 1.886 -3.805 2.479 1.00 0.00 N ATOM 475 CA ASP A 33 2.893 -4.759 2.926 1.00 0.00 C ATOM 476 C ASP A 33 2.549 -5.305 4.309 1.00 0.00 C ATOM 477 O ASP A 33 2.870 -6.448 4.633 1.00 0.00 O ATOM 478 CB ASP A 33 4.274 -4.101 2.953 1.00 0.00 C ATOM 479 CG ASP A 33 4.810 -3.824 1.563 1.00 0.00 C ATOM 480 OD1 ASP A 33 5.346 -4.762 0.936 1.00 0.00 O ATOM 481 OD2 ASP A 33 4.695 -2.669 1.101 1.00 0.00 O ATOM 0 H ASP A 33 2.264 -2.919 2.144 1.00 0.00 H new ATOM 0 HA ASP A 33 2.909 -5.590 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.217 -3.166 3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.971 -4.748 3.486 1.00 0.00 H new ATOM 486 N ALA A 34 1.896 -4.479 5.119 1.00 0.00 N ATOM 487 CA ALA A 34 1.508 -4.879 6.466 1.00 0.00 C ATOM 488 C ALA A 34 0.425 -5.952 6.429 1.00 0.00 C ATOM 489 O ALA A 34 0.632 -7.071 6.901 1.00 0.00 O ATOM 490 CB ALA A 34 1.029 -3.671 7.258 1.00 0.00 C ATOM 0 H ALA A 34 1.624 -3.529 4.866 1.00 0.00 H new ATOM 0 HA ALA A 34 2.384 -5.300 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.742 -3.984 8.262 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.832 -2.937 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.169 -3.226 6.758 1.00 0.00 H new ATOM 496 N ILE A 35 -0.728 -5.605 5.868 1.00 0.00 N ATOM 497 CA ILE A 35 -1.842 -6.540 5.771 1.00 0.00 C ATOM 498 C ILE A 35 -1.476 -7.742 4.906 1.00 0.00 C ATOM 499 O ILE A 35 -2.107 -8.796 4.991 1.00 0.00 O ATOM 500 CB ILE A 35 -3.095 -5.863 5.185 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.320 -6.762 5.369 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.884 -5.540 3.714 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.670 -7.016 6.818 1.00 0.00 C ATOM 0 H ILE A 35 -0.915 -4.683 5.474 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.061 -6.877 6.784 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.269 -4.929 5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.175 -6.304 4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.138 -7.716 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.778 -5.062 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.034 -4.866 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.688 -6.460 3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.548 -7.660 6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.831 -7.503 7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.884 -6.068 7.312 1.00 0.00 H new ATOM 515 N VAL A 36 -0.452 -7.577 4.075 1.00 0.00 N ATOM 516 CA VAL A 36 0.000 -8.649 3.196 1.00 0.00 C ATOM 517 C VAL A 36 0.977 -9.573 3.915 1.00 0.00 C ATOM 518 O VAL A 36 0.953 -10.788 3.723 1.00 0.00 O ATOM 519 CB VAL A 36 0.675 -8.090 1.930 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.320 -9.211 1.129 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.332 -7.328 1.082 1.00 0.00 C ATOM 0 H VAL A 36 0.080 -6.711 3.992 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.885 -9.215 2.906 1.00 0.00 H new ATOM 0 HB VAL A 36 1.459 -7.396 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.792 -8.797 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.073 -9.708 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.558 -9.932 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.162 -6.940 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.139 -7.998 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.741 -6.499 1.660 1.00 0.00 H new ATOM 531 N ARG A 37 1.836 -8.987 4.743 1.00 0.00 N ATOM 532 CA ARG A 37 2.822 -9.758 5.490 1.00 0.00 C ATOM 533 C ARG A 37 2.201 -10.366 6.745 1.00 0.00 C ATOM 534 O ARG A 37 2.688 -11.368 7.267 1.00 0.00 O ATOM 535 CB ARG A 37 4.009 -8.872 5.874 1.00 0.00 C ATOM 536 CG ARG A 37 3.721 -7.940 7.040 1.00 0.00 C ATOM 537 CD ARG A 37 4.938 -7.101 7.397 1.00 0.00 C ATOM 538 NE ARG A 37 5.872 -7.828 8.254 1.00 0.00 N ATOM 539 CZ ARG A 37 5.711 -7.964 9.565 1.00 0.00 C ATOM 540 NH1 ARG A 37 4.658 -7.428 10.167 1.00 0.00 N ATOM 541 NH2 ARG A 37 6.603 -8.640 10.277 1.00 0.00 N ATOM 0 H ARG A 37 1.869 -7.982 4.913 1.00 0.00 H new ATOM 0 HA ARG A 37 3.173 -10.568 4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.858 -9.507 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.303 -8.278 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.888 -7.285 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.414 -8.525 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.448 -6.795 6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.615 -6.191 7.903 1.00 0.00 H new ATOM 0 HE ARG A 37 6.692 -8.254 7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.969 -6.909 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.537 -7.534 11.174 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.413 -9.056 9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.479 -8.744 11.284 1.00 0.00 H new ATOM 555 N MET A 38 1.123 -9.752 7.222 1.00 0.00 N ATOM 556 CA MET A 38 0.435 -10.233 8.414 1.00 0.00 C ATOM 557 C MET A 38 -0.387 -11.480 8.102 1.00 0.00 C ATOM 558 O MET A 38 -0.205 -12.526 8.725 1.00 0.00 O ATOM 559 CB MET A 38 -0.472 -9.140 8.982 1.00 0.00 C ATOM 560 CG MET A 38 -1.367 -9.620 10.113 1.00 0.00 C ATOM 561 SD MET A 38 -1.546 -8.395 11.424 1.00 0.00 S ATOM 562 CE MET A 38 -3.219 -7.828 11.132 1.00 0.00 C ATOM 0 H MET A 38 0.707 -8.921 6.801 1.00 0.00 H new ATOM 0 HA MET A 38 1.189 -10.493 9.157 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.146 -8.318 9.343 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.095 -8.743 8.180 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.351 -9.865 9.713 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.955 -10.538 10.532 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.573 -7.275 12.002 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.235 -7.178 10.257 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.869 -8.686 10.958 1.00 0.00 H new ATOM 572 N ILE A 39 -1.290 -11.361 7.134 1.00 0.00 N ATOM 573 CA ILE A 39 -2.138 -12.479 6.740 1.00 0.00 C ATOM 574 C ILE A 39 -1.301 -13.698 6.364 1.00 0.00 C ATOM 575 O ILE A 39 -1.646 -14.828 6.708 1.00 0.00 O ATOM 576 CB ILE A 39 -3.044 -12.106 5.552 1.00 0.00 C ATOM 577 CG1 ILE A 39 -3.926 -10.909 5.911 1.00 0.00 C ATOM 578 CG2 ILE A 39 -3.899 -13.297 5.144 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.594 -10.270 4.713 1.00 0.00 C ATOM 0 H ILE A 39 -1.453 -10.502 6.609 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.762 -12.721 7.600 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.414 -11.829 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.693 -11.231 6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.319 -10.161 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.534 -13.018 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.253 -14.125 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.523 -13.602 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.203 -9.428 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.833 -9.917 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.228 -11.004 4.215 1.00 0.00 H new ATOM 591 N GLU A 40 -0.200 -13.458 5.659 1.00 0.00 N ATOM 592 CA GLU A 40 0.686 -14.537 5.238 1.00 0.00 C ATOM 593 C GLU A 40 1.409 -15.146 6.436 1.00 0.00 C ATOM 594 O GLU A 40 1.597 -16.360 6.510 1.00 0.00 O ATOM 595 CB GLU A 40 1.706 -14.022 4.221 1.00 0.00 C ATOM 596 CG GLU A 40 1.159 -13.925 2.806 1.00 0.00 C ATOM 597 CD GLU A 40 2.090 -14.538 1.778 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.118 -15.781 1.669 1.00 0.00 O ATOM 599 OE2 GLU A 40 2.790 -13.773 1.082 1.00 0.00 O ATOM 0 H GLU A 40 0.099 -12.527 5.368 1.00 0.00 H new ATOM 0 HA GLU A 40 0.077 -15.311 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.055 -13.038 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.573 -14.683 4.222 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.192 -14.426 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.988 -12.878 2.557 1.00 0.00 H new ATOM 606 N SER A 41 1.814 -14.293 7.372 1.00 0.00 N ATOM 607 CA SER A 41 2.520 -14.745 8.564 1.00 0.00 C ATOM 608 C SER A 41 1.570 -15.460 9.520 1.00 0.00 C ATOM 609 O SER A 41 1.993 -16.282 10.334 1.00 0.00 O ATOM 610 CB SER A 41 3.178 -13.560 9.273 1.00 0.00 C ATOM 611 OG SER A 41 3.879 -13.983 10.430 1.00 0.00 O ATOM 0 H SER A 41 1.665 -13.285 7.327 1.00 0.00 H new ATOM 0 HA SER A 41 3.293 -15.448 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.865 -13.060 8.590 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.417 -12.831 9.551 1.00 0.00 H new ATOM 0 HG SER A 41 4.292 -13.207 10.864 1.00 0.00 H new ATOM 617 N ARG A 42 0.284 -15.141 9.415 1.00 0.00 N ATOM 618 CA ARG A 42 -0.727 -15.752 10.270 1.00 0.00 C ATOM 619 C ARG A 42 -1.231 -17.060 9.668 1.00 0.00 C ATOM 620 O ARG A 42 -1.243 -18.095 10.333 1.00 0.00 O ATOM 621 CB ARG A 42 -1.898 -14.789 10.478 1.00 0.00 C ATOM 622 CG ARG A 42 -1.518 -13.520 11.224 1.00 0.00 C ATOM 623 CD ARG A 42 -1.490 -13.744 12.727 1.00 0.00 C ATOM 624 NE ARG A 42 -0.421 -12.988 13.374 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.517 -11.700 13.685 1.00 0.00 C ATOM 626 NH1 ARG A 42 -1.627 -11.029 13.411 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.500 -11.081 14.273 1.00 0.00 N ATOM 0 H ARG A 42 -0.082 -14.463 8.747 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.268 -15.970 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.312 -14.519 9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.686 -15.302 11.029 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.539 -13.179 10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.230 -12.730 10.986 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.450 -13.453 13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.358 -14.806 12.933 1.00 0.00 H new ATOM 0 HE ARG A 42 0.446 -13.475 13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.410 -11.502 12.960 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.698 -10.040 13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.355 -11.594 14.486 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.426 -10.092 14.512 1.00 0.00 H new ATOM 641 N GLN A 43 -1.646 -17.004 8.407 1.00 0.00 N ATOM 642 CA GLN A 43 -2.152 -18.184 7.716 1.00 0.00 C ATOM 643 C GLN A 43 -1.159 -19.338 7.811 1.00 0.00 C ATOM 644 O GLN A 43 -1.543 -20.484 8.043 1.00 0.00 O ATOM 645 CB GLN A 43 -2.436 -17.859 6.249 1.00 0.00 C ATOM 646 CG GLN A 43 -3.900 -17.566 5.963 1.00 0.00 C ATOM 647 CD GLN A 43 -4.436 -18.359 4.787 1.00 0.00 C ATOM 648 OE1 GLN A 43 -4.643 -19.570 4.883 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.664 -17.680 3.669 1.00 0.00 N ATOM 0 H GLN A 43 -1.642 -16.154 7.843 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.081 -18.487 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.837 -16.997 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.114 -18.697 5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.492 -17.794 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.021 -16.501 5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.478 -16.678 3.634 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.025 -18.161 2.845 1.00 0.00 H new ATOM 658 N LYS A 44 0.120 -19.027 7.629 1.00 0.00 N ATOM 659 CA LYS A 44 1.170 -20.037 7.695 1.00 0.00 C ATOM 660 C LYS A 44 1.129 -20.779 9.027 1.00 0.00 C ATOM 661 O LYS A 44 1.570 -21.924 9.125 1.00 0.00 O ATOM 662 CB LYS A 44 2.543 -19.388 7.503 1.00 0.00 C ATOM 663 CG LYS A 44 2.921 -18.424 8.614 1.00 0.00 C ATOM 664 CD LYS A 44 4.138 -18.909 9.383 1.00 0.00 C ATOM 665 CE LYS A 44 5.431 -18.522 8.683 1.00 0.00 C ATOM 666 NZ LYS A 44 6.623 -19.113 9.352 1.00 0.00 N ATOM 0 H LYS A 44 0.455 -18.083 7.435 1.00 0.00 H new ATOM 0 HA LYS A 44 0.999 -20.756 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.299 -20.170 7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.554 -18.855 6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.125 -17.441 8.190 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.080 -18.308 9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.127 -18.487 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.093 -19.993 9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.395 -18.854 7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.525 -17.436 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.484 -18.825 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.672 -18.777 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.547 -20.150 9.344 1.00 0.00 H new ATOM 680 N ARG A 45 0.595 -20.120 10.050 1.00 0.00 N ATOM 681 CA ARG A 45 0.495 -20.717 11.376 1.00 0.00 C ATOM 682 C ARG A 45 -0.962 -20.961 11.755 1.00 0.00 C ATOM 683 O ARG A 45 -1.304 -21.036 12.936 1.00 0.00 O ATOM 684 CB ARG A 45 1.160 -19.814 12.417 1.00 0.00 C ATOM 685 CG ARG A 45 2.654 -20.053 12.564 1.00 0.00 C ATOM 686 CD ARG A 45 2.975 -20.797 13.851 1.00 0.00 C ATOM 687 NE ARG A 45 3.005 -19.904 15.007 1.00 0.00 N ATOM 688 CZ ARG A 45 3.979 -19.031 15.237 1.00 0.00 C ATOM 689 NH1 ARG A 45 4.999 -18.934 14.394 1.00 0.00 N ATOM 690 NH2 ARG A 45 3.935 -18.253 16.310 1.00 0.00 N ATOM 0 H ARG A 45 0.225 -19.172 9.986 1.00 0.00 H new ATOM 0 HA ARG A 45 1.012 -21.677 11.354 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.992 -18.773 12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.679 -19.971 13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.018 -20.626 11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.179 -19.098 12.554 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.231 -21.576 14.014 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.940 -21.294 13.751 1.00 0.00 H new ATOM 0 HE ARG A 45 2.235 -19.954 15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.036 -19.531 13.567 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.746 -18.263 14.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.152 -18.325 16.960 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.684 -17.583 16.485 1.00 0.00 H new ATOM 704 N LYS A 46 -1.818 -21.082 10.746 1.00 0.00 N ATOM 705 CA LYS A 46 -3.239 -21.318 10.972 1.00 0.00 C ATOM 706 C LYS A 46 -3.813 -20.294 11.946 1.00 0.00 C ATOM 707 O LYS A 46 -4.723 -20.597 12.717 1.00 0.00 O ATOM 708 CB LYS A 46 -3.463 -22.732 11.512 1.00 0.00 C ATOM 709 CG LYS A 46 -3.043 -23.826 10.546 1.00 0.00 C ATOM 710 CD LYS A 46 -4.045 -24.968 10.526 1.00 0.00 C ATOM 711 CE LYS A 46 -5.326 -24.571 9.807 1.00 0.00 C ATOM 712 NZ LYS A 46 -6.488 -25.390 10.251 1.00 0.00 N ATOM 0 H LYS A 46 -1.552 -21.020 9.763 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.755 -21.214 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.908 -22.848 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.519 -22.857 11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.945 -23.409 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.062 -24.207 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.603 -25.833 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.278 -25.268 11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.534 -23.517 9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.190 -24.687 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.341 -25.089 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.301 -26.394 10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.634 -25.260 11.272 1.00 0.00 H new ATOM 726 N LYS A 47 -3.275 -19.079 11.904 1.00 0.00 N ATOM 727 CA LYS A 47 -3.735 -18.008 12.781 1.00 0.00 C ATOM 728 C LYS A 47 -4.849 -17.204 12.119 1.00 0.00 C ATOM 729 O LYS A 47 -5.269 -17.507 11.002 1.00 0.00 O ATOM 730 CB LYS A 47 -2.571 -17.083 13.144 1.00 0.00 C ATOM 731 CG LYS A 47 -2.079 -17.256 14.570 1.00 0.00 C ATOM 732 CD LYS A 47 -1.440 -18.619 14.779 1.00 0.00 C ATOM 733 CE LYS A 47 -0.472 -18.607 15.952 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.179 -18.452 17.253 1.00 0.00 N ATOM 0 H LYS A 47 -2.520 -18.812 11.272 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.129 -18.461 13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.744 -17.267 12.458 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.881 -16.048 12.999 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.356 -16.475 14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.913 -17.135 15.261 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.217 -19.363 14.955 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.912 -18.917 13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.102 -19.534 15.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.241 -17.792 15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.485 -18.448 18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.706 -17.556 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.841 -19.243 17.385 1.00 0.00 H new ATOM 748 N LYS A 48 -5.324 -16.176 12.814 1.00 0.00 N ATOM 749 CA LYS A 48 -6.388 -15.326 12.294 1.00 0.00 C ATOM 750 C LYS A 48 -5.966 -13.860 12.301 1.00 0.00 C ATOM 751 O LYS A 48 -5.310 -13.398 13.234 1.00 0.00 O ATOM 752 CB LYS A 48 -7.663 -15.505 13.122 1.00 0.00 C ATOM 753 CG LYS A 48 -7.605 -14.829 14.481 1.00 0.00 C ATOM 754 CD LYS A 48 -8.212 -15.704 15.565 1.00 0.00 C ATOM 755 CE LYS A 48 -7.239 -16.780 16.021 1.00 0.00 C ATOM 756 NZ LYS A 48 -7.913 -17.828 16.837 1.00 0.00 N ATOM 0 H LYS A 48 -4.988 -15.911 13.740 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.586 -15.624 11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.509 -15.105 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.848 -16.570 13.263 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.569 -14.603 14.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.137 -13.879 14.439 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.498 -15.086 16.416 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.123 -16.171 15.190 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.774 -17.241 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.440 -16.323 16.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.216 -18.543 17.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.336 -17.392 17.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.659 -18.282 16.272 1.00 0.00 H new ATOM 770 N ALA A 49 -6.348 -13.134 11.255 1.00 0.00 N ATOM 771 CA ALA A 49 -6.012 -11.720 11.143 1.00 0.00 C ATOM 772 C ALA A 49 -7.059 -10.851 11.830 1.00 0.00 C ATOM 773 O ALA A 49 -8.209 -10.787 11.394 1.00 0.00 O ATOM 774 CB ALA A 49 -5.871 -11.325 9.681 1.00 0.00 C ATOM 0 H ALA A 49 -6.890 -13.502 10.473 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.058 -11.558 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.620 -10.266 9.613 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.080 -11.916 9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.812 -11.509 9.162 1.00 0.00 H new ATOM 780 N TYR A 50 -6.655 -10.184 12.905 1.00 0.00 N ATOM 781 CA TYR A 50 -7.561 -9.320 13.654 1.00 0.00 C ATOM 782 C TYR A 50 -7.172 -7.854 13.493 1.00 0.00 C ATOM 783 O TYR A 50 -6.024 -7.533 13.186 1.00 0.00 O ATOM 784 CB TYR A 50 -7.555 -9.702 15.135 1.00 0.00 C ATOM 785 CG TYR A 50 -6.169 -9.927 15.697 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.575 -11.182 15.652 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.454 -8.884 16.272 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.310 -11.392 16.164 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.187 -9.084 16.786 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.620 -10.340 16.730 1.00 0.00 C ATOM 791 OH TYR A 50 -2.359 -10.545 17.241 1.00 0.00 O ATOM 0 H TYR A 50 -5.706 -10.225 13.278 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.566 -9.456 13.255 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.046 -8.915 15.707 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.144 -10.609 15.270 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.112 -12.008 15.209 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.896 -7.900 16.318 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.863 -12.374 16.122 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.644 -8.262 17.229 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.011 -9.703 17.602 1.00 0.00 H new ATOM 801 N CYS A 51 -8.138 -6.966 13.705 1.00 0.00 N ATOM 802 CA CYS A 51 -7.900 -5.533 13.585 1.00 0.00 C ATOM 803 C CYS A 51 -6.680 -5.114 14.400 1.00 0.00 C ATOM 804 O CYS A 51 -6.729 -5.003 15.626 1.00 0.00 O ATOM 805 CB CYS A 51 -9.130 -4.750 14.047 1.00 0.00 C ATOM 806 SG CYS A 51 -9.958 -3.815 12.721 1.00 0.00 S ATOM 0 H CYS A 51 -9.094 -7.214 13.961 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.708 -5.308 12.536 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.845 -5.445 14.488 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.832 -4.057 14.834 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.950 -2.548 13.013 1.00 0.00 H new ATOM 811 N PRO A 52 -5.558 -4.874 13.706 1.00 0.00 N ATOM 812 CA PRO A 52 -4.304 -4.463 14.345 1.00 0.00 C ATOM 813 C PRO A 52 -4.376 -3.047 14.905 1.00 0.00 C ATOM 814 O PRO A 52 -3.470 -2.602 15.609 1.00 0.00 O ATOM 815 CB PRO A 52 -3.285 -4.536 13.205 1.00 0.00 C ATOM 816 CG PRO A 52 -4.090 -4.356 11.965 1.00 0.00 C ATOM 817 CD PRO A 52 -5.426 -4.986 12.243 1.00 0.00 C ATOM 0 HA PRO A 52 -4.055 -5.094 15.199 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.527 -3.759 13.301 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.762 -5.492 13.202 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.200 -3.299 11.721 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.605 -4.831 11.112 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.232 -4.465 11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.456 -6.025 11.915 1.00 0.00 H new ATOM 825 N GLN A 53 -5.459 -2.344 14.588 1.00 0.00 N ATOM 826 CA GLN A 53 -5.648 -0.978 15.060 1.00 0.00 C ATOM 827 C GLN A 53 -5.903 -0.952 16.564 1.00 0.00 C ATOM 828 O GLN A 53 -6.997 -1.282 17.023 1.00 0.00 O ATOM 829 CB GLN A 53 -6.814 -0.317 14.322 1.00 0.00 C ATOM 830 CG GLN A 53 -6.686 1.194 14.211 1.00 0.00 C ATOM 831 CD GLN A 53 -5.787 1.621 13.068 1.00 0.00 C ATOM 832 OE1 GLN A 53 -6.017 1.260 11.914 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.755 2.396 13.384 1.00 0.00 N ATOM 0 H GLN A 53 -6.218 -2.698 14.006 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.734 -0.420 14.855 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.887 -0.742 13.321 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.743 -0.558 14.839 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.676 1.629 14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.292 1.591 15.146 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.602 2.671 14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.116 2.716 12.656 1.00 0.00 H new ATOM 842 N ILE A 54 -4.887 -0.559 17.324 1.00 0.00 N ATOM 843 CA ILE A 54 -5.002 -0.490 18.776 1.00 0.00 C ATOM 844 C ILE A 54 -6.232 0.310 19.192 1.00 0.00 C ATOM 845 O ILE A 54 -6.279 1.528 19.023 1.00 0.00 O ATOM 846 CB ILE A 54 -3.751 0.145 19.410 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.495 -0.625 18.997 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.884 0.179 20.925 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.666 0.087 17.951 1.00 0.00 C ATOM 0 H ILE A 54 -3.975 -0.284 16.959 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.100 -1.515 19.134 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.660 1.170 19.050 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.879 -0.800 19.879 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.788 -1.602 18.613 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.992 0.631 21.359 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.759 0.768 21.200 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.997 -0.837 21.303 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.792 -0.517 17.707 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.265 0.238 17.053 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.343 1.053 18.339 1.00 0.00 H new ATOM 861 N GLY A 55 -7.225 -0.384 19.740 1.00 0.00 N ATOM 862 CA GLY A 55 -8.441 0.279 20.174 1.00 0.00 C ATOM 863 C GLY A 55 -9.689 -0.376 19.616 1.00 0.00 C ATOM 864 O GLY A 55 -10.790 -0.168 20.126 1.00 0.00 O ATOM 0 H GLY A 55 -7.209 -1.393 19.891 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.486 0.272 21.263 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.413 1.323 19.863 1.00 0.00 H new ATOM 868 N CYS A 56 -9.519 -1.171 18.564 1.00 0.00 N ATOM 869 CA CYS A 56 -10.640 -1.857 17.934 1.00 0.00 C ATOM 870 C CYS A 56 -10.901 -3.203 18.606 1.00 0.00 C ATOM 871 O CYS A 56 -10.030 -3.749 19.283 1.00 0.00 O ATOM 872 CB CYS A 56 -10.366 -2.064 16.443 1.00 0.00 C ATOM 873 SG CYS A 56 -11.866 -2.304 15.438 1.00 0.00 S ATOM 0 H CYS A 56 -8.615 -1.356 18.130 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.527 -1.234 18.050 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.820 -1.201 16.062 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.717 -2.931 16.321 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.547 -2.862 14.308 1.00 0.00 H new ATOM 878 N SER A 57 -12.105 -3.730 18.413 1.00 0.00 N ATOM 879 CA SER A 57 -12.482 -5.010 19.003 1.00 0.00 C ATOM 880 C SER A 57 -12.605 -6.087 17.929 1.00 0.00 C ATOM 881 O SER A 57 -12.444 -7.276 18.206 1.00 0.00 O ATOM 882 CB SER A 57 -13.804 -4.876 19.761 1.00 0.00 C ATOM 883 OG SER A 57 -13.674 -5.329 21.097 1.00 0.00 O ATOM 0 H SER A 57 -12.836 -3.291 17.853 1.00 0.00 H new ATOM 0 HA SER A 57 -11.699 -5.305 19.702 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.125 -3.834 19.757 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.578 -5.451 19.253 1.00 0.00 H new ATOM 0 HG SER A 57 -14.532 -5.231 21.560 1.00 0.00 H new ATOM 889 N HIS A 58 -12.892 -5.662 16.703 1.00 0.00 N ATOM 890 CA HIS A 58 -13.037 -6.590 15.587 1.00 0.00 C ATOM 891 C HIS A 58 -11.819 -7.501 15.477 1.00 0.00 C ATOM 892 O HIS A 58 -10.717 -7.136 15.887 1.00 0.00 O ATOM 893 CB HIS A 58 -13.233 -5.821 14.280 1.00 0.00 C ATOM 894 CG HIS A 58 -13.810 -6.653 13.176 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.030 -7.287 13.272 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.328 -6.951 11.947 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.273 -7.942 12.150 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.256 -7.753 11.330 1.00 0.00 N ATOM 0 H HIS A 58 -13.029 -4.682 16.457 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.916 -7.208 15.772 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.889 -4.970 14.464 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.273 -5.419 13.957 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.649 -7.256 14.082 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.389 -6.620 11.529 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.153 -8.531 11.940 1.00 0.00 H new ATOM 906 N THR A 59 -12.024 -8.691 14.921 1.00 0.00 N ATOM 907 CA THR A 59 -10.944 -9.656 14.759 1.00 0.00 C ATOM 908 C THR A 59 -11.189 -10.559 13.555 1.00 0.00 C ATOM 909 O THR A 59 -10.871 -11.748 13.583 1.00 0.00 O ATOM 910 CB THR A 59 -10.778 -10.531 16.016 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.013 -11.189 16.321 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.338 -9.690 17.205 1.00 0.00 C ATOM 0 H THR A 59 -12.929 -9.010 14.575 1.00 0.00 H new ATOM 0 HA THR A 59 -10.030 -9.083 14.601 1.00 0.00 H new ATOM 0 HB THR A 59 -10.010 -11.277 15.815 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.899 -11.745 17.120 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.227 -10.329 18.081 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.384 -9.213 16.980 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.087 -8.925 17.406 1.00 0.00 H new ATOM 920 N ASP A 60 -11.755 -9.986 12.498 1.00 0.00 N ATOM 921 CA ASP A 60 -12.040 -10.739 11.282 1.00 0.00 C ATOM 922 C ASP A 60 -11.695 -9.920 10.042 1.00 0.00 C ATOM 923 O ASP A 60 -12.468 -9.060 9.620 1.00 0.00 O ATOM 924 CB ASP A 60 -13.514 -11.148 11.245 1.00 0.00 C ATOM 925 CG ASP A 60 -13.809 -12.149 10.145 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.532 -13.350 10.346 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.316 -11.732 9.082 1.00 0.00 O ATOM 0 H ASP A 60 -12.025 -9.003 12.459 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.421 -11.636 11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.793 -11.577 12.207 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.131 -10.261 11.100 1.00 0.00 H new ATOM 932 N ILE A 61 -10.530 -10.194 9.465 1.00 0.00 N ATOM 933 CA ILE A 61 -10.083 -9.482 8.273 1.00 0.00 C ATOM 934 C ILE A 61 -9.711 -10.455 7.160 1.00 0.00 C ATOM 935 O ILE A 61 -8.984 -11.423 7.384 1.00 0.00 O ATOM 936 CB ILE A 61 -8.873 -8.580 8.578 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.203 -7.613 9.717 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.456 -7.815 7.330 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.996 -6.876 10.253 1.00 0.00 C ATOM 0 H ILE A 61 -9.879 -10.903 9.803 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.916 -8.860 7.945 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.040 -9.209 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.935 -6.886 9.365 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.670 -8.168 10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.600 -7.182 7.561 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.184 -8.520 6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.285 -7.194 6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.305 -6.209 11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.271 -7.595 10.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.541 -6.293 9.453 1.00 0.00 H new ATOM 951 N ARG A 62 -10.213 -10.190 5.958 1.00 0.00 N ATOM 952 CA ARG A 62 -9.932 -11.041 4.808 1.00 0.00 C ATOM 953 C ARG A 62 -9.320 -10.232 3.669 1.00 0.00 C ATOM 954 O ARG A 62 -9.701 -9.085 3.433 1.00 0.00 O ATOM 955 CB ARG A 62 -11.213 -11.727 4.330 1.00 0.00 C ATOM 956 CG ARG A 62 -11.903 -12.549 5.407 1.00 0.00 C ATOM 957 CD ARG A 62 -13.392 -12.690 5.132 1.00 0.00 C ATOM 958 NE ARG A 62 -13.924 -13.954 5.636 1.00 0.00 N ATOM 959 CZ ARG A 62 -15.083 -14.471 5.244 1.00 0.00 C ATOM 960 NH1 ARG A 62 -15.827 -13.836 4.349 1.00 0.00 N ATOM 961 NH2 ARG A 62 -15.499 -15.626 5.748 1.00 0.00 N ATOM 0 H ARG A 62 -10.816 -9.393 5.755 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.214 -11.801 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -11.906 -10.969 3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -10.975 -12.375 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -11.447 -13.537 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.754 -12.077 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.926 -11.861 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.570 -12.624 4.059 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.376 -14.467 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.510 -12.948 3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.717 -14.235 4.050 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.929 -16.117 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.389 -16.023 5.447 1.00 0.00 H new ATOM 975 N LYS A 63 -8.369 -10.837 2.965 1.00 0.00 N ATOM 976 CA LYS A 63 -7.704 -10.174 1.849 1.00 0.00 C ATOM 977 C LYS A 63 -8.719 -9.702 0.813 1.00 0.00 C ATOM 978 O LYS A 63 -8.464 -8.757 0.067 1.00 0.00 O ATOM 979 CB LYS A 63 -6.694 -11.120 1.196 1.00 0.00 C ATOM 980 CG LYS A 63 -5.497 -10.408 0.590 1.00 0.00 C ATOM 981 CD LYS A 63 -4.889 -11.210 -0.549 1.00 0.00 C ATOM 982 CE LYS A 63 -3.983 -12.316 -0.030 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.997 -13.508 -0.923 1.00 0.00 N ATOM 0 H LYS A 63 -8.041 -11.786 3.148 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.177 -9.303 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.343 -11.833 1.941 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.197 -11.694 0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.803 -9.428 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.744 -10.240 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.684 -11.644 -1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.319 -10.546 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.964 -11.940 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.302 -12.608 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.368 -14.240 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.965 -13.883 -0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.668 -13.235 -1.871 1.00 0.00 H new ATOM 997 N SER A 64 -9.869 -10.366 0.773 1.00 0.00 N ATOM 998 CA SER A 64 -10.922 -10.016 -0.173 1.00 0.00 C ATOM 999 C SER A 64 -11.575 -8.691 0.206 1.00 0.00 C ATOM 1000 O SER A 64 -12.136 -7.997 -0.642 1.00 0.00 O ATOM 1001 CB SER A 64 -11.978 -11.122 -0.226 1.00 0.00 C ATOM 1002 OG SER A 64 -11.431 -12.326 -0.733 1.00 0.00 O ATOM 0 H SER A 64 -10.096 -11.150 1.385 1.00 0.00 H new ATOM 0 HA SER A 64 -10.469 -9.909 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.380 -11.294 0.773 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.810 -10.804 -0.854 1.00 0.00 H new ATOM 0 HG SER A 64 -12.126 -13.017 -0.755 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.497 -8.346 1.487 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.079 -7.103 1.980 1.00 0.00 C ATOM 1010 C ASP A 65 -11.031 -5.997 2.037 1.00 0.00 C ATOM 1011 O ASP A 65 -11.153 -5.049 2.815 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.689 -7.316 3.367 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.011 -8.056 3.310 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -14.952 -7.543 2.670 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.104 -9.150 3.906 1.00 0.00 O ATOM 0 H ASP A 65 -11.037 -8.909 2.202 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.864 -6.799 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.989 -7.876 3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.837 -6.349 3.848 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.000 -6.123 1.208 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.928 -5.134 1.164 1.00 0.00 C ATOM 1022 C LEU A 66 -9.019 -4.289 -0.103 1.00 0.00 C ATOM 1023 O LEU A 66 -8.934 -4.811 -1.215 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.566 -5.826 1.234 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.259 -6.575 2.531 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -5.834 -7.108 2.515 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.478 -5.669 3.734 1.00 0.00 C ATOM 0 H LEU A 66 -9.884 -6.900 0.557 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.038 -4.476 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.496 -6.531 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.791 -5.075 1.080 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.941 -7.422 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.633 -7.638 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.710 -7.791 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.136 -6.277 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.255 -6.218 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.821 -4.803 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.516 -5.336 3.755 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.189 -2.983 0.074 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.287 -2.067 -1.055 1.00 0.00 C ATOM 1041 C ILE A 67 -8.266 -0.940 -0.939 1.00 0.00 C ATOM 1042 O ILE A 67 -7.782 -0.639 0.151 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.697 -1.457 -1.164 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.142 -0.899 0.189 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.688 -2.498 -1.664 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.297 0.073 0.092 1.00 0.00 C ATOM 0 H ILE A 67 -9.262 -2.536 0.988 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.081 -2.650 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.666 -0.637 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.428 -1.727 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.297 -0.400 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.680 -2.051 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.378 -2.853 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.717 -3.336 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.559 0.428 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.008 0.920 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.157 -0.427 -0.353 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.945 -0.321 -2.070 1.00 0.00 N ATOM 1059 CA GLN A 68 -6.982 0.774 -2.095 1.00 0.00 C ATOM 1060 C GLN A 68 -7.691 2.123 -2.042 1.00 0.00 C ATOM 1061 O GLN A 68 -8.287 2.561 -3.026 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.114 0.689 -3.351 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.553 -0.700 -3.610 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.841 -0.802 -4.945 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.259 -1.550 -5.829 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.758 -0.048 -5.097 1.00 0.00 N ATOM 0 H GLN A 68 -8.337 -0.559 -2.981 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.345 0.685 -1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.705 1.000 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.288 1.394 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.859 -0.962 -2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.364 -1.427 -3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.447 0.558 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.237 -0.075 -5.973 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.622 2.777 -0.888 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.257 4.078 -0.707 1.00 0.00 C ATOM 1077 C ASP A 69 -7.543 5.149 -1.526 1.00 0.00 C ATOM 1078 O ASP A 69 -6.426 5.549 -1.201 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.259 4.466 0.772 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.250 5.572 1.079 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.875 6.089 0.129 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.401 5.920 2.269 1.00 0.00 O ATOM 0 H ASP A 69 -7.133 2.428 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.287 4.005 -1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.499 3.590 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.259 4.788 1.062 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.197 5.607 -2.589 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.623 6.631 -3.455 1.00 0.00 C ATOM 1089 C GLU A 70 -7.560 7.976 -2.739 1.00 0.00 C ATOM 1090 O GLU A 70 -6.530 8.651 -2.751 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.444 6.762 -4.739 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.613 6.658 -6.007 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.458 6.406 -7.240 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.670 6.708 -7.200 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.909 5.908 -8.245 1.00 0.00 O ATOM 0 H GLU A 70 -9.123 5.286 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.608 6.328 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.209 5.986 -4.752 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.963 7.721 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.046 7.579 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.888 5.851 -5.897 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.669 8.361 -2.115 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.740 9.625 -1.392 1.00 0.00 C ATOM 1104 C ALA A 71 -7.634 9.722 -0.347 1.00 0.00 C ATOM 1105 O ALA A 71 -7.211 10.818 0.024 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.104 9.782 -0.737 1.00 0.00 C ATOM 0 H ALA A 71 -9.531 7.815 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.598 10.434 -2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.143 10.730 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.879 9.766 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.268 8.962 -0.037 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.169 8.571 0.125 1.00 0.00 N ATOM 1113 CA LEU A 72 -6.112 8.526 1.129 1.00 0.00 C ATOM 1114 C LEU A 72 -4.736 8.533 0.471 1.00 0.00 C ATOM 1115 O LEU A 72 -3.852 9.294 0.865 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.265 7.282 2.005 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.729 7.395 3.432 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.446 8.505 4.185 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.876 6.070 4.164 1.00 0.00 C ATOM 0 H LEU A 72 -7.508 7.656 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.200 9.415 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.323 7.026 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.759 6.451 1.513 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.669 7.643 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.051 8.571 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.288 9.454 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.513 8.287 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.489 6.170 5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.929 5.791 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.315 5.299 3.636 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.562 7.681 -0.534 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.294 7.588 -1.247 1.00 0.00 C ATOM 1133 C ARG A 73 -2.837 8.964 -1.724 1.00 0.00 C ATOM 1134 O ARG A 73 -1.715 9.388 -1.444 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.423 6.640 -2.441 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.755 5.293 -2.223 1.00 0.00 C ATOM 1137 CD ARG A 73 -3.079 4.322 -3.348 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.018 4.272 -4.350 1.00 0.00 N ATOM 1139 CZ ARG A 73 -2.170 3.734 -5.555 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -3.334 3.205 -5.907 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.157 3.727 -6.412 1.00 0.00 N ATOM 0 H ARG A 73 -5.284 7.045 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.547 7.194 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.480 6.482 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.987 7.115 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.675 5.428 -2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.083 4.873 -1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.234 3.326 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.014 4.618 -3.824 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.111 4.672 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.116 3.211 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.448 2.793 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.261 4.135 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.274 3.314 -7.337 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.713 9.656 -2.444 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.399 10.983 -2.961 1.00 0.00 C ATOM 1157 C ARG A 74 -3.075 11.947 -1.823 1.00 0.00 C ATOM 1158 O ARG A 74 -2.306 12.891 -1.997 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.570 11.523 -3.783 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.717 10.860 -5.143 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.158 10.894 -5.627 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.248 10.843 -7.084 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.378 10.615 -7.743 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.509 10.419 -7.079 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.380 10.584 -9.070 1.00 0.00 N ATOM 0 H ARG A 74 -4.646 9.320 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.522 10.898 -3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.493 11.385 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.440 12.596 -3.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.077 11.365 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.376 9.826 -5.084 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.703 10.052 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.640 11.802 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.396 10.991 -7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.512 10.443 -6.059 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.375 10.244 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.513 10.735 -9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.249 10.409 -9.575 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.669 11.701 -0.660 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.442 12.546 0.506 1.00 0.00 C ATOM 1181 C ALA A 75 -1.998 12.445 0.985 1.00 0.00 C ATOM 1182 O ALA A 75 -1.300 13.453 1.100 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.399 12.167 1.627 1.00 0.00 C ATOM 0 H ALA A 75 -4.310 10.924 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.630 13.580 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.218 12.806 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.427 12.298 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.239 11.126 1.906 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.556 11.223 1.264 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.195 10.991 1.730 1.00 0.00 C ATOM 1191 C ILE A 76 0.823 11.644 0.802 1.00 0.00 C ATOM 1192 O ILE A 76 1.832 12.185 1.253 1.00 0.00 O ATOM 1193 CB ILE A 76 0.116 9.486 1.837 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.870 8.806 2.789 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.547 9.272 2.306 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.767 7.297 2.788 1.00 0.00 C ATOM 0 H ILE A 76 -2.121 10.379 1.175 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.121 11.440 2.720 1.00 0.00 H new ATOM 0 HB ILE A 76 0.008 9.037 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.698 9.173 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.885 9.093 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.751 8.204 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.235 9.727 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.682 9.732 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.495 6.882 3.485 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.969 6.919 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.237 7.001 3.092 1.00 0.00 H new