USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 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 -142:sc= 0.169 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -1.16 K(o=1,f=-0.044) USER MOD Set 1.3: A 30 TYR OH : rot 166:sc= 0.00113 USER MOD Set 1.4: A 51 CYS SG : rot -44:sc= 1.58 USER MOD Set 1.5: A 56 CYS SG : rot -156:sc= 0.456 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 52:sc= -0.808 USER MOD Single : A 13 THR OG1 : rot -159:sc= -1.67 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -177:sc= 0 (180deg=-0.00816) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.9!) 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 -177:sc= -0.458 (180deg=-0.471) USER MOD Single : A 41 SER OG : rot 89:sc= 0.912 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.13) 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= -0.245 USER MOD Single : A 53 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-4.2!) 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=-0.00358 X(o=-0.0036,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 0.646 9.519 7.815 1.00 0.00 N ATOM 67 CA PHE A 8 0.021 8.206 7.934 1.00 0.00 C ATOM 68 C PHE A 8 1.053 7.145 8.305 1.00 0.00 C ATOM 69 O PHE A 8 2.014 6.912 7.571 1.00 0.00 O ATOM 70 CB PHE A 8 -0.669 7.826 6.623 1.00 0.00 C ATOM 71 CG PHE A 8 -1.980 8.527 6.410 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.027 9.762 5.783 1.00 0.00 C ATOM 73 CD2 PHE A 8 -3.166 7.952 6.837 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.232 10.410 5.587 1.00 0.00 C ATOM 75 CE2 PHE A 8 -4.374 8.595 6.644 1.00 0.00 C ATOM 76 CZ PHE A 8 -4.407 9.825 6.017 1.00 0.00 C ATOM 0 HA PHE A 8 -0.725 8.256 8.728 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.003 8.057 5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.836 6.749 6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.111 10.223 5.444 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.146 6.990 7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.255 11.373 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.291 8.136 6.983 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.350 10.329 5.863 1.00 0.00 H new ATOM 86 N THR A 9 0.848 6.504 9.452 1.00 0.00 N ATOM 87 CA THR A 9 1.760 5.469 9.923 1.00 0.00 C ATOM 88 C THR A 9 1.028 4.149 10.138 1.00 0.00 C ATOM 89 O THR A 9 -0.111 4.129 10.604 1.00 0.00 O ATOM 90 CB THR A 9 2.448 5.883 11.237 1.00 0.00 C ATOM 91 OG1 THR A 9 1.771 7.005 11.813 1.00 0.00 O ATOM 92 CG2 THR A 9 3.908 6.234 10.996 1.00 0.00 C ATOM 0 H THR A 9 0.058 6.684 10.072 1.00 0.00 H new ATOM 0 HA THR A 9 2.518 5.339 9.151 1.00 0.00 H new ATOM 0 HB THR A 9 2.402 5.040 11.926 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.214 7.260 12.649 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.373 6.523 11.938 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.427 5.368 10.586 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.971 7.063 10.291 1.00 0.00 H new ATOM 100 N CYS A 10 1.690 3.049 9.798 1.00 0.00 N ATOM 101 CA CYS A 10 1.102 1.724 9.955 1.00 0.00 C ATOM 102 C CYS A 10 1.337 1.188 11.363 1.00 0.00 C ATOM 103 O CYS A 10 2.454 1.197 11.880 1.00 0.00 O ATOM 104 CB CYS A 10 1.689 0.757 8.925 1.00 0.00 C ATOM 105 SG CYS A 10 0.762 -0.784 8.746 1.00 0.00 S ATOM 0 H CYS A 10 2.634 3.048 9.412 1.00 0.00 H new ATOM 0 HA CYS A 10 0.028 1.809 9.792 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.732 1.257 7.957 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.715 0.520 9.208 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.493 -0.514 8.539 1.00 0.00 H new ATOM 111 N PRO A 11 0.258 0.711 12.002 1.00 0.00 N ATOM 112 CA PRO A 11 0.321 0.163 13.361 1.00 0.00 C ATOM 113 C PRO A 11 1.064 -1.167 13.416 1.00 0.00 C ATOM 114 O PRO A 11 1.428 -1.641 14.492 1.00 0.00 O ATOM 115 CB PRO A 11 -1.151 -0.030 13.733 1.00 0.00 C ATOM 116 CG PRO A 11 -1.854 -0.190 12.429 1.00 0.00 C ATOM 117 CD PRO A 11 -1.105 0.668 11.447 1.00 0.00 C ATOM 0 HA PRO A 11 0.864 0.819 14.041 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.288 -0.907 14.366 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.535 0.827 14.287 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.857 -1.233 12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.895 0.123 12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.118 0.237 10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.540 1.665 11.371 1.00 0.00 H new ATOM 125 N ILE A 12 1.285 -1.765 12.250 1.00 0.00 N ATOM 126 CA ILE A 12 1.986 -3.040 12.167 1.00 0.00 C ATOM 127 C ILE A 12 3.470 -2.834 11.885 1.00 0.00 C ATOM 128 O ILE A 12 4.322 -3.163 12.712 1.00 0.00 O ATOM 129 CB ILE A 12 1.387 -3.941 11.070 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.113 -4.132 11.299 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.100 -5.285 11.041 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.821 -4.799 10.140 1.00 0.00 C ATOM 0 H ILE A 12 0.989 -1.387 11.350 1.00 0.00 H new ATOM 0 HA ILE A 12 1.867 -3.529 13.134 1.00 0.00 H new ATOM 0 HB ILE A 12 1.529 -3.456 10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.262 -4.730 12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.571 -3.160 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.666 -5.910 10.261 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.159 -5.131 10.835 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.987 -5.778 12.007 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.881 -4.902 10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.703 -4.191 9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.389 -5.785 9.969 1.00 0.00 H new ATOM 144 N THR A 13 3.774 -2.285 10.713 1.00 0.00 N ATOM 145 CA THR A 13 5.156 -2.034 10.323 1.00 0.00 C ATOM 146 C THR A 13 5.759 -0.896 11.137 1.00 0.00 C ATOM 147 O THR A 13 6.980 -0.769 11.238 1.00 0.00 O ATOM 148 CB THR A 13 5.263 -1.691 8.825 1.00 0.00 C ATOM 149 OG1 THR A 13 4.719 -0.389 8.580 1.00 0.00 O ATOM 150 CG2 THR A 13 4.527 -2.721 7.980 1.00 0.00 C ATOM 0 H THR A 13 3.082 -2.006 10.018 1.00 0.00 H new ATOM 0 HA THR A 13 5.711 -2.951 10.519 1.00 0.00 H new ATOM 0 HB THR A 13 6.317 -1.702 8.547 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.479 -0.308 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.616 -2.458 6.926 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.963 -3.706 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.474 -2.737 8.262 1.00 0.00 H new ATOM 158 N LYS A 14 4.897 -0.069 11.719 1.00 0.00 N ATOM 159 CA LYS A 14 5.344 1.059 12.527 1.00 0.00 C ATOM 160 C LYS A 14 6.124 2.060 11.681 1.00 0.00 C ATOM 161 O LYS A 14 7.091 2.661 12.149 1.00 0.00 O ATOM 162 CB LYS A 14 6.213 0.569 13.688 1.00 0.00 C ATOM 163 CG LYS A 14 5.596 -0.580 14.466 1.00 0.00 C ATOM 164 CD LYS A 14 4.260 -0.189 15.073 1.00 0.00 C ATOM 165 CE LYS A 14 4.027 -0.887 16.405 1.00 0.00 C ATOM 166 NZ LYS A 14 2.867 -0.310 17.138 1.00 0.00 N ATOM 0 H LYS A 14 3.884 -0.159 11.646 1.00 0.00 H new ATOM 0 HA LYS A 14 4.462 1.559 12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.181 0.255 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.398 1.400 14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.460 -1.436 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.278 -0.893 15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.226 0.891 15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.457 -0.444 14.382 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.856 -1.950 16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.923 -0.804 17.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.741 -0.813 18.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.041 0.698 17.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.007 -0.412 16.562 1.00 0.00 H new ATOM 180 N GLU A 15 5.697 2.234 10.434 1.00 0.00 N ATOM 181 CA GLU A 15 6.357 3.162 9.524 1.00 0.00 C ATOM 182 C GLU A 15 5.350 3.797 8.569 1.00 0.00 C ATOM 183 O GLU A 15 4.158 3.494 8.617 1.00 0.00 O ATOM 184 CB GLU A 15 7.448 2.443 8.727 1.00 0.00 C ATOM 185 CG GLU A 15 6.916 1.344 7.822 1.00 0.00 C ATOM 186 CD GLU A 15 7.791 1.116 6.605 1.00 0.00 C ATOM 187 OE1 GLU A 15 8.970 0.744 6.785 1.00 0.00 O ATOM 188 OE2 GLU A 15 7.299 1.310 5.474 1.00 0.00 O ATOM 0 H GLU A 15 4.898 1.745 10.032 1.00 0.00 H new ATOM 0 HA GLU A 15 6.814 3.951 10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.985 3.173 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.170 2.013 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.840 0.416 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.908 1.602 7.497 1.00 0.00 H new ATOM 195 N GLU A 16 5.839 4.680 7.703 1.00 0.00 N ATOM 196 CA GLU A 16 4.981 5.358 6.739 1.00 0.00 C ATOM 197 C GLU A 16 4.295 4.352 5.819 1.00 0.00 C ATOM 198 O GLU A 16 4.844 3.291 5.523 1.00 0.00 O ATOM 199 CB GLU A 16 5.796 6.352 5.908 1.00 0.00 C ATOM 200 CG GLU A 16 5.007 7.577 5.479 1.00 0.00 C ATOM 201 CD GLU A 16 5.732 8.874 5.784 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.829 9.084 5.226 1.00 0.00 O ATOM 203 OE2 GLU A 16 5.202 9.678 6.579 1.00 0.00 O ATOM 0 H GLU A 16 6.823 4.942 7.650 1.00 0.00 H new ATOM 0 HA GLU A 16 4.214 5.900 7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.662 6.672 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.176 5.846 5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.807 7.520 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.041 7.578 5.984 1.00 0.00 H new ATOM 210 N MET A 17 3.092 4.694 5.370 1.00 0.00 N ATOM 211 CA MET A 17 2.331 3.821 4.483 1.00 0.00 C ATOM 212 C MET A 17 2.316 4.371 3.061 1.00 0.00 C ATOM 213 O MET A 17 1.781 5.451 2.807 1.00 0.00 O ATOM 214 CB MET A 17 0.898 3.662 4.996 1.00 0.00 C ATOM 215 CG MET A 17 0.813 3.399 6.491 1.00 0.00 C ATOM 216 SD MET A 17 -0.628 2.414 6.942 1.00 0.00 S ATOM 217 CE MET A 17 -1.955 3.535 6.507 1.00 0.00 C ATOM 0 H MET A 17 2.623 5.569 5.605 1.00 0.00 H new ATOM 0 HA MET A 17 2.816 2.845 4.471 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.335 4.565 4.762 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.419 2.841 4.463 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.717 2.884 6.817 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.779 4.350 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.912 3.089 6.778 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.828 4.475 7.044 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.934 3.725 5.434 1.00 0.00 H new ATOM 227 N LYS A 18 2.907 3.623 2.135 1.00 0.00 N ATOM 228 CA LYS A 18 2.961 4.034 0.738 1.00 0.00 C ATOM 229 C LYS A 18 1.728 3.553 -0.020 1.00 0.00 C ATOM 230 O LYS A 18 1.243 4.226 -0.929 1.00 0.00 O ATOM 231 CB LYS A 18 4.227 3.488 0.073 1.00 0.00 C ATOM 232 CG LYS A 18 5.479 3.662 0.914 1.00 0.00 C ATOM 233 CD LYS A 18 6.738 3.526 0.074 1.00 0.00 C ATOM 234 CE LYS A 18 7.975 3.951 0.851 1.00 0.00 C ATOM 235 NZ LYS A 18 8.864 2.795 1.153 1.00 0.00 N ATOM 0 H LYS A 18 3.356 2.728 2.328 1.00 0.00 H new ATOM 0 HA LYS A 18 2.982 5.123 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.087 2.428 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.370 3.990 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.464 4.641 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.490 2.918 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.849 2.492 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.645 4.135 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.528 4.694 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.672 4.430 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.695 3.126 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.345 2.097 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.174 2.354 0.264 1.00 0.00 H new ATOM 249 N LYS A 19 1.224 2.384 0.362 1.00 0.00 N ATOM 250 CA LYS A 19 0.046 1.812 -0.279 1.00 0.00 C ATOM 251 C LYS A 19 -1.049 1.534 0.745 1.00 0.00 C ATOM 252 O LYS A 19 -1.207 0.414 1.233 1.00 0.00 O ATOM 253 CB LYS A 19 0.414 0.520 -1.012 1.00 0.00 C ATOM 254 CG LYS A 19 1.101 0.752 -2.346 1.00 0.00 C ATOM 255 CD LYS A 19 2.509 0.180 -2.355 1.00 0.00 C ATOM 256 CE LYS A 19 2.873 -0.384 -3.720 1.00 0.00 C ATOM 257 NZ LYS A 19 4.312 -0.755 -3.801 1.00 0.00 N ATOM 0 H LYS A 19 1.614 1.814 1.113 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.331 2.536 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.068 -0.076 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.491 -0.065 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.516 0.293 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.140 1.821 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.221 0.958 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.589 -0.605 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.260 -1.261 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.644 0.353 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.520 -1.135 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.898 0.087 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.525 -1.477 -3.083 1.00 0.00 H new ATOM 271 N PRO A 20 -1.826 2.575 1.080 1.00 0.00 N ATOM 272 CA PRO A 20 -2.922 2.466 2.048 1.00 0.00 C ATOM 273 C PRO A 20 -4.088 1.642 1.514 1.00 0.00 C ATOM 274 O PRO A 20 -4.555 1.860 0.396 1.00 0.00 O ATOM 275 CB PRO A 20 -3.349 3.920 2.265 1.00 0.00 C ATOM 276 CG PRO A 20 -2.947 4.623 1.015 1.00 0.00 C ATOM 277 CD PRO A 20 -1.696 3.938 0.539 1.00 0.00 C ATOM 0 HA PRO A 20 -2.611 1.958 2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.423 3.996 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.858 4.351 3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.734 4.564 0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.765 5.681 1.204 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.629 3.934 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.800 4.434 0.911 1.00 0.00 H new ATOM 285 N VAL A 21 -4.555 0.693 2.320 1.00 0.00 N ATOM 286 CA VAL A 21 -5.668 -0.163 1.929 1.00 0.00 C ATOM 287 C VAL A 21 -6.768 -0.151 2.984 1.00 0.00 C ATOM 288 O VAL A 21 -6.514 -0.386 4.166 1.00 0.00 O ATOM 289 CB VAL A 21 -5.206 -1.615 1.702 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.235 -1.690 0.533 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.575 -2.177 2.967 1.00 0.00 C ATOM 0 H VAL A 21 -4.179 0.498 3.248 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.061 0.236 0.994 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.078 -2.222 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.920 -2.723 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.726 -1.330 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.363 -1.071 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.254 -3.203 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.713 -1.570 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.305 -2.160 3.776 1.00 0.00 H new ATOM 301 N LYS A 22 -7.993 0.126 2.550 1.00 0.00 N ATOM 302 CA LYS A 22 -9.135 0.168 3.456 1.00 0.00 C ATOM 303 C LYS A 22 -9.896 -1.154 3.434 1.00 0.00 C ATOM 304 O LYS A 22 -9.958 -1.828 2.406 1.00 0.00 O ATOM 305 CB LYS A 22 -10.073 1.315 3.074 1.00 0.00 C ATOM 306 CG LYS A 22 -11.090 1.653 4.151 1.00 0.00 C ATOM 307 CD LYS A 22 -12.282 2.400 3.577 1.00 0.00 C ATOM 308 CE LYS A 22 -13.137 1.496 2.702 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.396 2.167 2.274 1.00 0.00 N ATOM 0 H LYS A 22 -8.221 0.325 1.576 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.760 0.334 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.479 2.202 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.601 1.052 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.431 0.736 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.616 2.260 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.888 2.800 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.932 3.250 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.567 1.198 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.379 0.585 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.950 1.518 1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.952 2.429 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.166 3.023 1.730 1.00 0.00 H new ATOM 323 N ASN A 23 -10.475 -1.518 4.573 1.00 0.00 N ATOM 324 CA ASN A 23 -11.233 -2.759 4.684 1.00 0.00 C ATOM 325 C ASN A 23 -12.718 -2.513 4.439 1.00 0.00 C ATOM 326 O ASN A 23 -13.206 -1.392 4.589 1.00 0.00 O ATOM 327 CB ASN A 23 -11.029 -3.384 6.065 1.00 0.00 C ATOM 328 CG ASN A 23 -10.976 -4.899 6.012 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.453 -5.480 5.061 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.518 -5.546 7.037 1.00 0.00 N ATOM 0 H ASN A 23 -10.434 -0.971 5.433 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.867 -3.448 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.103 -3.006 6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.840 -3.074 6.724 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.512 -6.566 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.941 -5.023 7.804 1.00 0.00 H new ATOM 337 N LYS A 24 -13.433 -3.567 4.061 1.00 0.00 N ATOM 338 CA LYS A 24 -14.863 -3.468 3.796 1.00 0.00 C ATOM 339 C LYS A 24 -15.673 -3.857 5.029 1.00 0.00 C ATOM 340 O LYS A 24 -16.825 -3.451 5.181 1.00 0.00 O ATOM 341 CB LYS A 24 -15.248 -4.364 2.617 1.00 0.00 C ATOM 342 CG LYS A 24 -14.300 -4.254 1.435 1.00 0.00 C ATOM 343 CD LYS A 24 -15.048 -3.964 0.145 1.00 0.00 C ATOM 344 CE LYS A 24 -15.545 -2.527 0.100 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.999 -2.453 -0.214 1.00 0.00 N ATOM 0 H LYS A 24 -13.045 -4.501 3.931 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.089 -2.432 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.277 -5.400 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.255 -4.107 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.575 -3.462 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.739 -5.182 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.393 -4.151 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.893 -4.646 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.356 -2.047 1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.983 -1.971 -0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.299 -1.458 -0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.176 -2.888 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.538 -2.961 0.516 1.00 0.00 H new ATOM 359 N VAL A 25 -15.062 -4.645 5.909 1.00 0.00 N ATOM 360 CA VAL A 25 -15.725 -5.086 7.130 1.00 0.00 C ATOM 361 C VAL A 25 -15.711 -3.991 8.190 1.00 0.00 C ATOM 362 O VAL A 25 -16.757 -3.458 8.562 1.00 0.00 O ATOM 363 CB VAL A 25 -15.059 -6.350 7.705 1.00 0.00 C ATOM 364 CG1 VAL A 25 -15.878 -6.908 8.858 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.874 -7.397 6.616 1.00 0.00 C ATOM 0 H VAL A 25 -14.109 -4.991 5.798 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.757 -5.316 6.864 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.075 -6.079 8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.392 -7.801 9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.954 -6.159 9.646 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.877 -7.165 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.402 -8.283 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.845 -7.666 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.242 -6.992 5.826 1.00 0.00 H new ATOM 375 N CYS A 26 -14.519 -3.657 8.672 1.00 0.00 N ATOM 376 CA CYS A 26 -14.367 -2.624 9.690 1.00 0.00 C ATOM 377 C CYS A 26 -14.313 -1.238 9.054 1.00 0.00 C ATOM 378 O CYS A 26 -15.073 -0.344 9.424 1.00 0.00 O ATOM 379 CB CYS A 26 -13.099 -2.870 10.510 1.00 0.00 C ATOM 380 SG CYS A 26 -12.706 -1.537 11.689 1.00 0.00 S ATOM 0 H CYS A 26 -13.643 -4.087 8.374 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.233 -2.669 10.350 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.210 -3.805 11.059 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.258 -2.998 9.829 1.00 0.00 H new ATOM 0 HG CYS A 26 -11.419 -1.359 11.730 1.00 0.00 H new ATOM 385 N GLY A 27 -13.409 -1.067 8.094 1.00 0.00 N ATOM 386 CA GLY A 27 -13.273 0.212 7.422 1.00 0.00 C ATOM 387 C GLY A 27 -11.925 0.858 7.672 1.00 0.00 C ATOM 388 O GLY A 27 -11.559 1.826 7.005 1.00 0.00 O ATOM 0 H GLY A 27 -12.768 -1.792 7.770 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.412 0.072 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.062 0.883 7.761 1.00 0.00 H new ATOM 392 N HIS A 28 -11.184 0.323 8.638 1.00 0.00 N ATOM 393 CA HIS A 28 -9.869 0.855 8.976 1.00 0.00 C ATOM 394 C HIS A 28 -8.952 0.852 7.756 1.00 0.00 C ATOM 395 O HIS A 28 -9.336 0.396 6.679 1.00 0.00 O ATOM 396 CB HIS A 28 -9.239 0.036 10.104 1.00 0.00 C ATOM 397 CG HIS A 28 -9.461 0.621 11.464 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.624 -0.148 12.597 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.545 1.910 11.871 1.00 0.00 C ATOM 400 CE1 HIS A 28 -9.800 0.642 13.641 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.756 1.895 13.228 1.00 0.00 N ATOM 0 H HIS A 28 -11.472 -0.478 9.200 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.996 1.884 9.311 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.648 -0.974 10.081 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.167 -0.050 9.925 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -9.611 -1.168 12.625 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.462 2.786 11.245 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.954 0.318 14.660 1.00 0.00 H new ATOM 409 N THR A 29 -7.739 1.365 7.933 1.00 0.00 N ATOM 410 CA THR A 29 -6.768 1.424 6.847 1.00 0.00 C ATOM 411 C THR A 29 -5.398 0.941 7.308 1.00 0.00 C ATOM 412 O THR A 29 -4.977 1.216 8.431 1.00 0.00 O ATOM 413 CB THR A 29 -6.635 2.854 6.290 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.518 3.737 6.990 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.951 2.887 4.802 1.00 0.00 C ATOM 0 H THR A 29 -7.405 1.746 8.818 1.00 0.00 H new ATOM 0 HA THR A 29 -7.135 0.767 6.058 1.00 0.00 H new ATOM 0 HB THR A 29 -5.605 3.182 6.434 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.426 4.644 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.850 3.907 4.431 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.258 2.237 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.972 2.541 4.639 1.00 0.00 H new ATOM 423 N TYR A 30 -4.706 0.219 6.433 1.00 0.00 N ATOM 424 CA TYR A 30 -3.383 -0.305 6.751 1.00 0.00 C ATOM 425 C TYR A 30 -2.479 -0.284 5.522 1.00 0.00 C ATOM 426 O TYR A 30 -2.905 0.093 4.432 1.00 0.00 O ATOM 427 CB TYR A 30 -3.492 -1.731 7.293 1.00 0.00 C ATOM 428 CG TYR A 30 -4.718 -1.961 8.149 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.769 -1.508 9.461 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.826 -2.630 7.643 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.886 -1.717 10.246 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.948 -2.842 8.420 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.973 -2.384 9.721 1.00 0.00 C ATOM 434 OH TYR A 30 -8.089 -2.593 10.499 1.00 0.00 O ATOM 0 H TYR A 30 -5.039 -0.017 5.498 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.942 0.334 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.507 -2.429 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.602 -1.957 7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.920 -0.983 9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.809 -2.990 6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.908 -1.360 11.265 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.801 -3.363 8.011 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.837 -2.869 9.930 1.00 0.00 H new ATOM 444 N GLU A 31 -1.228 -0.693 5.709 1.00 0.00 N ATOM 445 CA GLU A 31 -0.263 -0.721 4.616 1.00 0.00 C ATOM 446 C GLU A 31 -0.362 -2.029 3.837 1.00 0.00 C ATOM 447 O GLU A 31 -0.663 -3.079 4.404 1.00 0.00 O ATOM 448 CB GLU A 31 1.158 -0.542 5.156 1.00 0.00 C ATOM 449 CG GLU A 31 2.239 -0.806 4.122 1.00 0.00 C ATOM 450 CD GLU A 31 3.478 0.040 4.343 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.715 0.452 5.498 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.208 0.292 3.363 1.00 0.00 O ATOM 0 H GLU A 31 -0.859 -1.009 6.606 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.493 0.103 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.269 0.474 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.304 -1.214 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.514 -1.860 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.841 -0.607 3.127 1.00 0.00 H new ATOM 459 N GLU A 32 -0.105 -1.957 2.535 1.00 0.00 N ATOM 460 CA GLU A 32 -0.167 -3.135 1.678 1.00 0.00 C ATOM 461 C GLU A 32 0.723 -4.249 2.220 1.00 0.00 C ATOM 462 O GLU A 32 0.233 -5.285 2.673 1.00 0.00 O ATOM 463 CB GLU A 32 0.257 -2.778 0.251 1.00 0.00 C ATOM 464 CG GLU A 32 -0.216 -3.776 -0.792 1.00 0.00 C ATOM 465 CD GLU A 32 0.122 -3.347 -2.206 1.00 0.00 C ATOM 466 OE1 GLU A 32 0.395 -2.146 -2.413 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.115 -4.213 -3.106 1.00 0.00 O ATOM 0 H GLU A 32 0.148 -1.096 2.051 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.198 -3.490 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.133 -1.791 0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.344 -2.710 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.238 -4.747 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.295 -3.904 -0.703 1.00 0.00 H new ATOM 474 N ASP A 33 2.032 -4.030 2.171 1.00 0.00 N ATOM 475 CA ASP A 33 2.991 -5.015 2.658 1.00 0.00 C ATOM 476 C ASP A 33 2.632 -5.473 4.068 1.00 0.00 C ATOM 477 O ASP A 33 2.910 -6.608 4.452 1.00 0.00 O ATOM 478 CB ASP A 33 4.405 -4.432 2.643 1.00 0.00 C ATOM 479 CG ASP A 33 4.959 -4.292 1.238 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.385 -4.901 0.311 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.965 -3.573 1.067 1.00 0.00 O ATOM 0 H ASP A 33 2.454 -3.179 1.799 1.00 0.00 H new ATOM 0 HA ASP A 33 2.955 -5.879 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.397 -3.455 3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.065 -5.072 3.229 1.00 0.00 H new ATOM 486 N ALA A 34 2.013 -4.581 4.835 1.00 0.00 N ATOM 487 CA ALA A 34 1.614 -4.894 6.201 1.00 0.00 C ATOM 488 C ALA A 34 0.486 -5.919 6.223 1.00 0.00 C ATOM 489 O ALA A 34 0.646 -7.020 6.752 1.00 0.00 O ATOM 490 CB ALA A 34 1.193 -3.627 6.931 1.00 0.00 C ATOM 0 H ALA A 34 1.777 -3.636 4.533 1.00 0.00 H new ATOM 0 HA ALA A 34 2.473 -5.328 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.897 -3.876 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.028 -2.927 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.352 -3.170 6.411 1.00 0.00 H new ATOM 496 N ILE A 35 -0.653 -5.551 5.647 1.00 0.00 N ATOM 497 CA ILE A 35 -1.807 -6.440 5.601 1.00 0.00 C ATOM 498 C ILE A 35 -1.503 -7.694 4.787 1.00 0.00 C ATOM 499 O ILE A 35 -2.172 -8.717 4.931 1.00 0.00 O ATOM 500 CB ILE A 35 -3.036 -5.735 4.997 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.291 -6.587 5.202 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.814 -5.457 3.518 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.640 -6.809 6.657 1.00 0.00 C ATOM 0 H ILE A 35 -0.802 -4.643 5.206 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.029 -6.723 6.630 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.178 -4.783 5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.133 -6.105 4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.147 -7.554 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.691 -4.959 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.941 -4.816 3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.650 -6.397 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.540 -7.421 6.726 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.815 -7.319 7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.817 -5.848 7.140 1.00 0.00 H new ATOM 515 N VAL A 36 -0.488 -7.607 3.933 1.00 0.00 N ATOM 516 CA VAL A 36 -0.093 -8.735 3.098 1.00 0.00 C ATOM 517 C VAL A 36 0.851 -9.669 3.848 1.00 0.00 C ATOM 518 O VAL A 36 0.768 -10.890 3.714 1.00 0.00 O ATOM 519 CB VAL A 36 0.593 -8.261 1.803 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.178 -9.443 1.046 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.389 -7.492 0.931 1.00 0.00 C ATOM 0 H VAL A 36 0.076 -6.767 3.801 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.005 -9.274 2.841 1.00 0.00 H new ATOM 0 HB VAL A 36 1.410 -7.590 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.659 -9.089 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.914 -9.948 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.381 -10.141 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.112 -7.164 0.020 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.228 -8.138 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.756 -6.622 1.476 1.00 0.00 H new ATOM 531 N ARG A 37 1.747 -9.086 4.637 1.00 0.00 N ATOM 532 CA ARG A 37 2.708 -9.867 5.408 1.00 0.00 C ATOM 533 C ARG A 37 2.074 -10.395 6.692 1.00 0.00 C ATOM 534 O ARG A 37 2.516 -11.401 7.245 1.00 0.00 O ATOM 535 CB ARG A 37 3.934 -9.017 5.744 1.00 0.00 C ATOM 536 CG ARG A 37 3.705 -8.041 6.886 1.00 0.00 C ATOM 537 CD ARG A 37 4.954 -7.227 7.184 1.00 0.00 C ATOM 538 NE ARG A 37 5.728 -7.795 8.285 1.00 0.00 N ATOM 539 CZ ARG A 37 7.002 -7.500 8.517 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.643 -6.648 7.728 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.638 -8.058 9.539 1.00 0.00 N ATOM 0 H ARG A 37 1.828 -8.077 4.760 1.00 0.00 H new ATOM 0 HA ARG A 37 3.019 -10.717 4.801 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.763 -9.676 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.234 -8.460 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.884 -7.370 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.405 -8.589 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.577 -7.178 6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.670 -6.204 7.431 1.00 0.00 H new ATOM 0 HE ARG A 37 5.264 -8.454 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.157 -6.218 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.621 -6.423 7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.149 -8.714 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.616 -7.831 9.716 1.00 0.00 H new ATOM 555 N MET A 38 1.037 -9.708 7.159 1.00 0.00 N ATOM 556 CA MET A 38 0.342 -10.109 8.377 1.00 0.00 C ATOM 557 C MET A 38 -0.533 -11.333 8.127 1.00 0.00 C ATOM 558 O MET A 38 -0.382 -12.360 8.789 1.00 0.00 O ATOM 559 CB MET A 38 -0.514 -8.955 8.904 1.00 0.00 C ATOM 560 CG MET A 38 -1.357 -9.327 10.113 1.00 0.00 C ATOM 561 SD MET A 38 -3.125 -9.149 9.809 1.00 0.00 S ATOM 562 CE MET A 38 -3.403 -7.479 10.392 1.00 0.00 C ATOM 0 H MET A 38 0.659 -8.872 6.713 1.00 0.00 H new ATOM 0 HA MET A 38 1.092 -10.368 9.125 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.137 -8.121 9.168 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.171 -8.607 8.107 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.143 -10.357 10.397 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.072 -8.698 10.957 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.464 -7.240 10.319 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.083 -7.398 11.431 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.831 -6.780 9.781 1.00 0.00 H new ATOM 572 N ILE A 39 -1.445 -11.217 7.168 1.00 0.00 N ATOM 573 CA ILE A 39 -2.343 -12.315 6.831 1.00 0.00 C ATOM 574 C ILE A 39 -1.561 -13.582 6.502 1.00 0.00 C ATOM 575 O ILE A 39 -2.033 -14.693 6.740 1.00 0.00 O ATOM 576 CB ILE A 39 -3.245 -11.957 5.635 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.072 -10.708 5.948 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.154 -13.127 5.289 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.718 -10.090 4.728 1.00 0.00 C ATOM 0 H ILE A 39 -1.582 -10.374 6.611 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.968 -12.493 7.706 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.613 -11.745 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.848 -10.967 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.430 -9.967 6.424 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.786 -12.859 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.547 -13.995 5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.781 -13.367 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.288 -9.210 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.946 -9.799 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.386 -10.815 4.263 1.00 0.00 H new ATOM 591 N GLU A 40 -0.362 -13.406 5.955 1.00 0.00 N ATOM 592 CA GLU A 40 0.486 -14.537 5.595 1.00 0.00 C ATOM 593 C GLU A 40 1.260 -15.044 6.807 1.00 0.00 C ATOM 594 O GLU A 40 1.459 -16.248 6.971 1.00 0.00 O ATOM 595 CB GLU A 40 1.460 -14.138 4.484 1.00 0.00 C ATOM 596 CG GLU A 40 0.791 -13.916 3.138 1.00 0.00 C ATOM 597 CD GLU A 40 1.058 -15.043 2.160 1.00 0.00 C ATOM 598 OE1 GLU A 40 0.859 -16.216 2.539 1.00 0.00 O ATOM 599 OE2 GLU A 40 1.467 -14.752 1.016 1.00 0.00 O ATOM 0 H GLU A 40 0.044 -12.492 5.752 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.157 -15.340 5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.978 -13.225 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.217 -14.915 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.284 -13.814 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.145 -12.978 2.711 1.00 0.00 H new ATOM 606 N SER A 41 1.695 -14.117 7.655 1.00 0.00 N ATOM 607 CA SER A 41 2.451 -14.470 8.851 1.00 0.00 C ATOM 608 C SER A 41 1.548 -15.127 9.891 1.00 0.00 C ATOM 609 O SER A 41 2.013 -15.889 10.739 1.00 0.00 O ATOM 610 CB SER A 41 3.112 -13.225 9.447 1.00 0.00 C ATOM 611 OG SER A 41 4.266 -12.859 8.710 1.00 0.00 O ATOM 0 H SER A 41 1.537 -13.116 7.536 1.00 0.00 H new ATOM 0 HA SER A 41 3.224 -15.183 8.565 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.401 -12.398 9.451 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.385 -13.416 10.485 1.00 0.00 H new ATOM 0 HG SER A 41 4.012 -12.250 7.985 1.00 0.00 H new ATOM 617 N ARG A 42 0.256 -14.827 9.818 1.00 0.00 N ATOM 618 CA ARG A 42 -0.713 -15.386 10.752 1.00 0.00 C ATOM 619 C ARG A 42 -1.186 -16.761 10.288 1.00 0.00 C ATOM 620 O ARG A 42 -1.154 -17.728 11.048 1.00 0.00 O ATOM 621 CB ARG A 42 -1.911 -14.447 10.902 1.00 0.00 C ATOM 622 CG ARG A 42 -1.534 -13.047 11.359 1.00 0.00 C ATOM 623 CD ARG A 42 -1.599 -12.919 12.873 1.00 0.00 C ATOM 624 NE ARG A 42 -0.450 -12.196 13.411 1.00 0.00 N ATOM 625 CZ ARG A 42 -0.189 -12.093 14.709 1.00 0.00 C ATOM 626 NH1 ARG A 42 -0.990 -12.664 15.598 1.00 0.00 N ATOM 627 NH2 ARG A 42 0.877 -11.417 15.121 1.00 0.00 N ATOM 0 H ARG A 42 -0.144 -14.199 9.121 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.224 -15.496 11.720 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.431 -14.380 9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.612 -14.877 11.617 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.527 -12.810 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.206 -12.321 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.517 -12.402 13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.643 -13.912 13.319 1.00 0.00 H new ATOM 0 HE ARG A 42 0.187 -11.745 12.754 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.810 -13.184 15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.786 -12.583 16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.496 -10.976 14.440 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.077 -11.338 16.118 1.00 0.00 H new ATOM 641 N GLN A 43 -1.623 -16.838 9.035 1.00 0.00 N ATOM 642 CA GLN A 43 -2.103 -18.093 8.470 1.00 0.00 C ATOM 643 C GLN A 43 -1.081 -19.207 8.671 1.00 0.00 C ATOM 644 O GLN A 43 -1.422 -20.307 9.107 1.00 0.00 O ATOM 645 CB GLN A 43 -2.405 -17.924 6.980 1.00 0.00 C ATOM 646 CG GLN A 43 -3.884 -17.748 6.675 1.00 0.00 C ATOM 647 CD GLN A 43 -4.199 -17.914 5.201 1.00 0.00 C ATOM 648 OE1 GLN A 43 -3.842 -18.919 4.588 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.873 -16.925 4.625 1.00 0.00 N ATOM 0 H GLN A 43 -1.654 -16.046 8.392 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.020 -18.369 8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.859 -17.059 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.033 -18.795 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.459 -18.474 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.203 -16.758 7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.149 -16.110 5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.115 -16.981 3.636 1.00 0.00 H new ATOM 658 N LYS A 44 0.175 -18.915 8.349 1.00 0.00 N ATOM 659 CA LYS A 44 1.249 -19.891 8.494 1.00 0.00 C ATOM 660 C LYS A 44 1.320 -20.413 9.926 1.00 0.00 C ATOM 661 O LYS A 44 1.795 -21.522 10.169 1.00 0.00 O ATOM 662 CB LYS A 44 2.590 -19.267 8.100 1.00 0.00 C ATOM 663 CG LYS A 44 3.013 -18.117 8.999 1.00 0.00 C ATOM 664 CD LYS A 44 4.318 -18.421 9.715 1.00 0.00 C ATOM 665 CE LYS A 44 4.771 -17.246 10.569 1.00 0.00 C ATOM 666 NZ LYS A 44 5.990 -17.573 11.360 1.00 0.00 N ATOM 0 H LYS A 44 0.474 -18.010 7.986 1.00 0.00 H new ATOM 0 HA LYS A 44 1.037 -20.729 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.361 -20.038 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.527 -18.910 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.126 -17.211 8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.231 -17.921 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.193 -19.302 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.089 -18.659 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.973 -16.388 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.966 -16.957 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.267 -16.747 11.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.790 -18.376 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.766 -17.825 10.714 1.00 0.00 H new ATOM 680 N ARG A 45 0.845 -19.606 10.869 1.00 0.00 N ATOM 681 CA ARG A 45 0.854 -19.987 12.276 1.00 0.00 C ATOM 682 C ARG A 45 -0.549 -20.353 12.750 1.00 0.00 C ATOM 683 O ARG A 45 -0.862 -20.250 13.936 1.00 0.00 O ATOM 684 CB ARG A 45 1.413 -18.848 13.131 1.00 0.00 C ATOM 685 CG ARG A 45 2.920 -18.685 13.020 1.00 0.00 C ATOM 686 CD ARG A 45 3.635 -19.274 14.226 1.00 0.00 C ATOM 687 NE ARG A 45 4.849 -18.534 14.558 1.00 0.00 N ATOM 688 CZ ARG A 45 5.803 -19.005 15.353 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.685 -20.210 15.893 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.878 -18.272 15.608 1.00 0.00 N ATOM 0 H ARG A 45 0.449 -18.684 10.684 1.00 0.00 H new ATOM 0 HA ARG A 45 1.494 -20.862 12.385 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.933 -17.915 12.837 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.151 -19.026 14.174 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.274 -19.173 12.112 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.167 -17.627 12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.962 -19.270 15.084 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.889 -20.315 14.024 1.00 0.00 H new ATOM 0 HE ARG A 45 4.971 -17.604 14.157 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.860 -20.778 15.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.419 -20.570 16.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.973 -17.345 15.193 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.610 -18.635 16.219 1.00 0.00 H new ATOM 704 N LYS A 46 -1.391 -20.780 11.815 1.00 0.00 N ATOM 705 CA LYS A 46 -2.761 -21.162 12.136 1.00 0.00 C ATOM 706 C LYS A 46 -3.464 -20.059 12.921 1.00 0.00 C ATOM 707 O LYS A 46 -4.261 -20.333 13.819 1.00 0.00 O ATOM 708 CB LYS A 46 -2.775 -22.464 12.941 1.00 0.00 C ATOM 709 CG LYS A 46 -2.583 -23.707 12.090 1.00 0.00 C ATOM 710 CD LYS A 46 -3.852 -24.542 12.028 1.00 0.00 C ATOM 711 CE LYS A 46 -4.773 -24.073 10.912 1.00 0.00 C ATOM 712 NZ LYS A 46 -6.059 -24.825 10.902 1.00 0.00 N ATOM 0 H LYS A 46 -1.148 -20.870 10.828 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.297 -21.316 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.988 -22.424 13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.723 -22.542 13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.288 -23.417 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.771 -24.308 12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.593 -25.589 11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.375 -24.482 12.982 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.975 -23.009 11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.272 -24.197 9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.659 -24.476 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.868 -25.838 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.549 -24.687 11.809 1.00 0.00 H new ATOM 726 N LYS A 47 -3.165 -18.812 12.576 1.00 0.00 N ATOM 727 CA LYS A 47 -3.770 -17.666 13.246 1.00 0.00 C ATOM 728 C LYS A 47 -4.739 -16.942 12.317 1.00 0.00 C ATOM 729 O LYS A 47 -4.959 -17.363 11.181 1.00 0.00 O ATOM 730 CB LYS A 47 -2.685 -16.698 13.724 1.00 0.00 C ATOM 731 CG LYS A 47 -2.495 -16.694 15.231 1.00 0.00 C ATOM 732 CD LYS A 47 -1.390 -15.738 15.650 1.00 0.00 C ATOM 733 CE LYS A 47 -0.334 -16.440 16.489 1.00 0.00 C ATOM 734 NZ LYS A 47 0.450 -15.479 17.313 1.00 0.00 N ATOM 0 H LYS A 47 -2.507 -18.568 11.836 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.327 -18.033 14.108 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.740 -16.960 13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.939 -15.690 13.395 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.428 -16.408 15.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.255 -17.701 15.571 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.925 -15.307 14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.818 -14.912 16.218 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.814 -17.170 17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.341 -16.992 15.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.159 -15.997 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.929 -14.798 16.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.190 -14.970 17.955 1.00 0.00 H new ATOM 748 N LYS A 48 -5.317 -15.850 12.807 1.00 0.00 N ATOM 749 CA LYS A 48 -6.261 -15.065 12.021 1.00 0.00 C ATOM 750 C LYS A 48 -5.861 -13.593 12.001 1.00 0.00 C ATOM 751 O LYS A 48 -5.206 -13.106 12.922 1.00 0.00 O ATOM 752 CB LYS A 48 -7.675 -15.213 12.588 1.00 0.00 C ATOM 753 CG LYS A 48 -7.900 -14.434 13.871 1.00 0.00 C ATOM 754 CD LYS A 48 -8.691 -15.244 14.885 1.00 0.00 C ATOM 755 CE LYS A 48 -7.832 -16.321 15.530 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.658 -17.407 16.125 1.00 0.00 N ATOM 0 H LYS A 48 -5.148 -15.489 13.746 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.245 -15.441 10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.394 -14.880 11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.874 -16.268 12.774 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.938 -14.152 14.300 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.433 -13.510 13.648 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.084 -14.581 15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.548 -15.706 14.395 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.159 -16.744 14.784 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.209 -15.873 16.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.036 -18.121 16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.282 -17.008 16.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.234 -17.852 15.382 1.00 0.00 H new ATOM 770 N ALA A 49 -6.261 -12.890 10.947 1.00 0.00 N ATOM 771 CA ALA A 49 -5.948 -11.473 10.810 1.00 0.00 C ATOM 772 C ALA A 49 -6.975 -10.611 11.536 1.00 0.00 C ATOM 773 O ALA A 49 -8.135 -10.536 11.129 1.00 0.00 O ATOM 774 CB ALA A 49 -5.877 -11.088 9.340 1.00 0.00 C ATOM 0 H ALA A 49 -6.803 -13.279 10.175 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.975 -11.295 11.268 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.643 -10.027 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.100 -11.673 8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.837 -11.288 8.865 1.00 0.00 H new ATOM 780 N TYR A 50 -6.542 -9.962 12.611 1.00 0.00 N ATOM 781 CA TYR A 50 -7.426 -9.108 13.395 1.00 0.00 C ATOM 782 C TYR A 50 -7.030 -7.641 13.255 1.00 0.00 C ATOM 783 O TYR A 50 -5.887 -7.322 12.928 1.00 0.00 O ATOM 784 CB TYR A 50 -7.391 -9.518 14.868 1.00 0.00 C ATOM 785 CG TYR A 50 -5.996 -9.766 15.396 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.409 -11.021 15.299 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.265 -8.744 15.989 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.134 -11.252 15.780 1.00 0.00 C ATOM 789 CE2 TYR A 50 -3.989 -8.965 16.471 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.429 -10.221 16.365 1.00 0.00 C ATOM 791 OH TYR A 50 -2.159 -10.447 16.844 1.00 0.00 O ATOM 0 H TYR A 50 -5.585 -10.011 12.959 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.440 -9.231 13.014 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.863 -8.737 15.465 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.986 -10.422 14.999 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.958 -11.830 14.840 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.702 -7.760 16.075 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.692 -12.234 15.698 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.434 -8.159 16.928 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.800 -9.618 17.224 1.00 0.00 H new ATOM 801 N CYS A 51 -7.985 -6.751 13.505 1.00 0.00 N ATOM 802 CA CYS A 51 -7.740 -5.317 13.407 1.00 0.00 C ATOM 803 C CYS A 51 -6.497 -4.923 14.201 1.00 0.00 C ATOM 804 O CYS A 51 -6.516 -4.836 15.429 1.00 0.00 O ATOM 805 CB CYS A 51 -8.952 -4.535 13.916 1.00 0.00 C ATOM 806 SG CYS A 51 -9.990 -3.831 12.594 1.00 0.00 S ATOM 0 H CYS A 51 -8.936 -6.998 13.777 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.573 -5.073 12.358 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.564 -5.194 14.532 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.605 -3.727 14.561 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.231 -3.295 11.685 1.00 0.00 H new ATOM 811 N PRO A 52 -5.390 -4.678 13.484 1.00 0.00 N ATOM 812 CA PRO A 52 -4.119 -4.288 14.099 1.00 0.00 C ATOM 813 C PRO A 52 -4.166 -2.883 14.688 1.00 0.00 C ATOM 814 O PRO A 52 -3.241 -2.459 15.381 1.00 0.00 O ATOM 815 CB PRO A 52 -3.128 -4.346 12.934 1.00 0.00 C ATOM 816 CG PRO A 52 -3.962 -4.136 11.717 1.00 0.00 C ATOM 817 CD PRO A 52 -5.296 -4.762 12.017 1.00 0.00 C ATOM 0 HA PRO A 52 -3.855 -4.937 14.934 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.362 -3.576 13.027 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.613 -5.306 12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.070 -3.074 11.496 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.502 -4.598 10.844 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.110 -4.225 11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.343 -5.794 11.670 1.00 0.00 H new ATOM 825 N GLN A 53 -5.250 -2.166 14.409 1.00 0.00 N ATOM 826 CA GLN A 53 -5.417 -0.807 14.912 1.00 0.00 C ATOM 827 C GLN A 53 -5.677 -0.811 16.415 1.00 0.00 C ATOM 828 O GLN A 53 -6.773 -1.146 16.864 1.00 0.00 O ATOM 829 CB GLN A 53 -6.568 -0.110 14.186 1.00 0.00 C ATOM 830 CG GLN A 53 -6.698 1.366 14.528 1.00 0.00 C ATOM 831 CD GLN A 53 -5.359 2.075 14.574 1.00 0.00 C ATOM 832 OE1 GLN A 53 -4.905 2.499 15.637 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.719 2.207 13.419 1.00 0.00 N ATOM 0 H GLN A 53 -6.025 -2.503 13.838 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.493 -0.260 14.723 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.424 -0.214 13.111 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.502 -0.615 14.433 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.336 1.851 13.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.193 1.469 15.494 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.133 1.840 12.562 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.813 2.675 13.388 1.00 0.00 H new ATOM 842 N ILE A 54 -4.662 -0.437 17.187 1.00 0.00 N ATOM 843 CA ILE A 54 -4.782 -0.397 18.639 1.00 0.00 C ATOM 844 C ILE A 54 -6.009 0.401 19.068 1.00 0.00 C ATOM 845 O ILE A 54 -6.049 1.622 18.926 1.00 0.00 O ATOM 846 CB ILE A 54 -3.530 0.220 19.290 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.266 -0.472 18.774 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.615 0.116 20.806 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.420 0.405 17.878 1.00 0.00 C ATOM 0 H ILE A 54 -3.748 -0.158 16.831 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.886 -1.429 18.975 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.481 1.275 19.019 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.666 -0.795 19.624 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.551 -1.370 18.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.723 0.556 21.251 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.498 0.650 21.158 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.685 -0.933 21.095 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.541 -0.150 17.550 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.004 0.707 17.009 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.104 1.291 18.429 1.00 0.00 H new ATOM 861 N GLY A 55 -7.008 -0.300 19.595 1.00 0.00 N ATOM 862 CA GLY A 55 -8.223 0.359 20.038 1.00 0.00 C ATOM 863 C GLY A 55 -9.472 -0.280 19.465 1.00 0.00 C ATOM 864 O GLY A 55 -10.573 -0.081 19.980 1.00 0.00 O ATOM 0 H GLY A 55 -6.998 -1.312 19.723 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.271 0.331 21.127 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.190 1.409 19.747 1.00 0.00 H new ATOM 868 N CYS A 56 -9.303 -1.049 18.395 1.00 0.00 N ATOM 869 CA CYS A 56 -10.425 -1.719 17.749 1.00 0.00 C ATOM 870 C CYS A 56 -10.711 -3.064 18.411 1.00 0.00 C ATOM 871 O CYS A 56 -9.804 -3.720 18.923 1.00 0.00 O ATOM 872 CB CYS A 56 -10.137 -1.922 16.260 1.00 0.00 C ATOM 873 SG CYS A 56 -11.617 -1.859 15.200 1.00 0.00 S ATOM 0 H CYS A 56 -8.399 -1.224 17.957 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.305 -1.086 17.859 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.434 -1.157 15.930 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.647 -2.886 16.124 1.00 0.00 H new ATOM 0 HG CYS A 56 -11.388 -2.506 14.096 1.00 0.00 H new ATOM 878 N SER A 57 -11.978 -3.467 18.397 1.00 0.00 N ATOM 879 CA SER A 57 -12.384 -4.731 18.999 1.00 0.00 C ATOM 880 C SER A 57 -12.508 -5.822 17.940 1.00 0.00 C ATOM 881 O SER A 57 -12.380 -7.010 18.238 1.00 0.00 O ATOM 882 CB SER A 57 -13.715 -4.565 19.735 1.00 0.00 C ATOM 883 OG SER A 57 -13.870 -5.554 20.738 1.00 0.00 O ATOM 0 H SER A 57 -12.740 -2.936 17.975 1.00 0.00 H new ATOM 0 HA SER A 57 -11.616 -5.028 19.713 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.763 -3.574 20.186 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.538 -4.632 19.024 1.00 0.00 H new ATOM 0 HG SER A 57 -14.727 -5.425 21.195 1.00 0.00 H new ATOM 889 N HIS A 58 -12.758 -5.410 16.701 1.00 0.00 N ATOM 890 CA HIS A 58 -12.898 -6.351 15.596 1.00 0.00 C ATOM 891 C HIS A 58 -11.686 -7.275 15.511 1.00 0.00 C ATOM 892 O HIS A 58 -10.584 -6.909 15.919 1.00 0.00 O ATOM 893 CB HIS A 58 -13.074 -5.599 14.276 1.00 0.00 C ATOM 894 CG HIS A 58 -13.697 -6.426 13.194 1.00 0.00 C ATOM 895 ND1 HIS A 58 -14.965 -6.958 13.289 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.219 -6.809 11.987 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.240 -7.634 12.188 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.197 -7.559 11.382 1.00 0.00 N ATOM 0 H HIS A 58 -12.868 -4.431 16.437 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.784 -6.959 15.780 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.691 -4.717 14.449 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.101 -5.245 13.936 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.593 -6.847 14.085 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.249 -6.569 11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.161 -8.159 11.982 1.00 0.00 H new ATOM 906 N THR A 59 -11.899 -8.475 14.979 1.00 0.00 N ATOM 907 CA THR A 59 -10.825 -9.451 14.843 1.00 0.00 C ATOM 908 C THR A 59 -11.091 -10.402 13.682 1.00 0.00 C ATOM 909 O THR A 59 -10.752 -11.584 13.744 1.00 0.00 O ATOM 910 CB THR A 59 -10.646 -10.272 16.134 1.00 0.00 C ATOM 911 OG1 THR A 59 -11.915 -10.759 16.585 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.002 -9.431 17.225 1.00 0.00 C ATOM 0 H THR A 59 -12.805 -8.794 14.636 1.00 0.00 H new ATOM 0 HA THR A 59 -9.911 -8.891 14.648 1.00 0.00 H new ATOM 0 HB THR A 59 -9.992 -11.116 15.914 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.792 -11.281 17.405 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.886 -10.032 18.127 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.024 -9.087 16.890 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.634 -8.570 17.442 1.00 0.00 H new ATOM 920 N ASP A 60 -11.700 -9.879 12.623 1.00 0.00 N ATOM 921 CA ASP A 60 -12.010 -10.682 11.445 1.00 0.00 C ATOM 922 C ASP A 60 -11.717 -9.905 10.166 1.00 0.00 C ATOM 923 O ASP A 60 -12.518 -9.075 9.735 1.00 0.00 O ATOM 924 CB ASP A 60 -13.476 -11.116 11.469 1.00 0.00 C ATOM 925 CG ASP A 60 -13.682 -12.494 10.870 1.00 0.00 C ATOM 926 OD1 ASP A 60 -13.255 -12.709 9.716 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.269 -13.356 11.556 1.00 0.00 O ATOM 0 H ASP A 60 -11.989 -8.903 12.556 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.377 -11.569 11.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.836 -11.113 12.498 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.076 -10.391 10.919 1.00 0.00 H new ATOM 932 N ILE A 61 -10.565 -10.179 9.563 1.00 0.00 N ATOM 933 CA ILE A 61 -10.168 -9.506 8.333 1.00 0.00 C ATOM 934 C ILE A 61 -9.809 -10.514 7.246 1.00 0.00 C ATOM 935 O ILE A 61 -9.085 -11.477 7.493 1.00 0.00 O ATOM 936 CB ILE A 61 -8.967 -8.570 8.566 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.310 -7.519 9.623 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.554 -7.904 7.262 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.138 -6.641 10.004 1.00 0.00 C ATOM 0 H ILE A 61 -9.890 -10.863 9.907 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.023 -8.913 8.008 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.128 -9.163 8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.118 -6.890 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.683 -8.021 10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.704 -7.246 7.443 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.274 -8.667 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.388 -7.321 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.454 -5.919 10.757 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.336 -7.259 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.779 -6.111 9.122 1.00 0.00 H new ATOM 951 N ARG A 62 -10.321 -10.283 6.041 1.00 0.00 N ATOM 952 CA ARG A 62 -10.054 -11.170 4.915 1.00 0.00 C ATOM 953 C ARG A 62 -9.449 -10.398 3.746 1.00 0.00 C ATOM 954 O ARG A 62 -9.864 -9.278 3.446 1.00 0.00 O ATOM 955 CB ARG A 62 -11.342 -11.864 4.470 1.00 0.00 C ATOM 956 CG ARG A 62 -11.519 -13.255 5.057 1.00 0.00 C ATOM 957 CD ARG A 62 -12.885 -13.832 4.722 1.00 0.00 C ATOM 958 NE ARG A 62 -12.920 -14.416 3.383 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.970 -15.063 2.891 1.00 0.00 C ATOM 960 NH1 ARG A 62 -15.066 -15.207 3.622 1.00 0.00 N ATOM 961 NH2 ARG A 62 -13.925 -15.566 1.664 1.00 0.00 N ATOM 0 H ARG A 62 -10.923 -9.490 5.820 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.337 -11.923 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.194 -11.247 4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.350 -11.934 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.740 -13.915 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.396 -13.213 6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.147 -14.594 5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.638 -13.047 4.795 1.00 0.00 H new ATOM 0 HE ARG A 62 -12.093 -14.321 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.104 -14.820 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.871 -15.704 3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.084 -15.456 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.732 -16.063 1.287 1.00 0.00 H new ATOM 975 N LYS A 63 -8.466 -11.004 3.089 1.00 0.00 N ATOM 976 CA LYS A 63 -7.803 -10.375 1.953 1.00 0.00 C ATOM 977 C LYS A 63 -8.815 -9.988 0.879 1.00 0.00 C ATOM 978 O LYS A 63 -8.579 -9.071 0.092 1.00 0.00 O ATOM 979 CB LYS A 63 -6.753 -11.319 1.362 1.00 0.00 C ATOM 980 CG LYS A 63 -5.619 -10.600 0.653 1.00 0.00 C ATOM 981 CD LYS A 63 -4.902 -11.517 -0.324 1.00 0.00 C ATOM 982 CE LYS A 63 -3.933 -12.445 0.393 1.00 0.00 C ATOM 983 NZ LYS A 63 -4.105 -13.862 -0.033 1.00 0.00 N ATOM 0 H LYS A 63 -8.111 -11.931 3.324 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.310 -9.469 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.339 -11.934 2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.239 -11.995 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.013 -9.735 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.908 -10.224 1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.634 -12.108 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.360 -10.918 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.910 -12.127 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.086 -12.368 1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.427 -14.463 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.074 -14.174 0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.934 -13.940 -1.056 1.00 0.00 H new ATOM 997 N SER A 64 -9.942 -10.692 0.853 1.00 0.00 N ATOM 998 CA SER A 64 -10.989 -10.423 -0.126 1.00 0.00 C ATOM 999 C SER A 64 -11.702 -9.111 0.187 1.00 0.00 C ATOM 1000 O SER A 64 -12.261 -8.469 -0.702 1.00 0.00 O ATOM 1001 CB SER A 64 -11.999 -11.572 -0.152 1.00 0.00 C ATOM 1002 OG SER A 64 -13.009 -11.385 0.824 1.00 0.00 O ATOM 0 H SER A 64 -10.154 -11.453 1.499 1.00 0.00 H new ATOM 0 HA SER A 64 -10.522 -10.337 -1.107 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.452 -11.639 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.485 -12.516 0.028 1.00 0.00 H new ATOM 0 HG SER A 64 -13.643 -12.131 0.786 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.677 -8.720 1.456 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.319 -7.484 1.888 1.00 0.00 C ATOM 1010 C ASP A 65 -11.313 -6.338 1.938 1.00 0.00 C ATOM 1011 O ASP A 65 -11.493 -5.372 2.682 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.964 -7.673 3.262 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.356 -8.267 3.170 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.143 -7.806 2.317 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.660 -9.191 3.953 1.00 0.00 O ATOM 0 H ASP A 65 -11.219 -9.241 2.204 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.093 -7.233 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.334 -8.323 3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.015 -6.711 3.772 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.255 -6.451 1.143 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.219 -5.425 1.097 1.00 0.00 C ATOM 1022 C LEU A 66 -9.308 -4.619 -0.195 1.00 0.00 C ATOM 1023 O LEU A 66 -9.270 -5.179 -1.291 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.835 -6.063 1.219 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.471 -6.619 2.597 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.071 -7.214 2.579 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.577 -5.531 3.655 1.00 0.00 C ATOM 0 H LEU A 66 -10.092 -7.243 0.521 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.375 -4.749 1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.765 -6.873 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.088 -5.319 0.941 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.177 -7.411 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.829 -7.605 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.029 -8.022 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.351 -6.442 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.315 -5.944 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.894 -4.717 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.598 -5.151 3.685 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.425 -3.302 -0.059 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.516 -2.420 -1.215 1.00 0.00 C ATOM 1041 C ILE A 67 -8.509 -1.279 -1.116 1.00 0.00 C ATOM 1042 O ILE A 67 -7.964 -1.011 -0.046 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.930 -1.830 -1.364 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.387 -1.203 -0.045 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.908 -2.906 -1.812 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.696 -0.455 -0.153 1.00 0.00 C ATOM 0 H ILE A 67 -9.459 -2.823 0.841 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.290 -3.026 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.904 -1.050 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.487 -1.987 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.616 -0.519 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.903 -2.474 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.589 -3.311 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.933 -3.706 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.958 -0.037 0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.595 0.352 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.480 -1.139 -0.477 1.00 0.00 H new ATOM 1058 N GLN A 68 -8.269 -0.609 -2.239 1.00 0.00 N ATOM 1059 CA GLN A 68 -7.329 0.504 -2.278 1.00 0.00 C ATOM 1060 C GLN A 68 -8.047 1.831 -2.056 1.00 0.00 C ATOM 1061 O GLN A 68 -9.013 2.150 -2.750 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.590 0.529 -3.617 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.971 -0.807 -3.995 1.00 0.00 C ATOM 1064 CD GLN A 68 -5.050 -0.705 -5.195 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.340 -1.247 -6.262 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.933 -0.007 -5.027 1.00 0.00 N ATOM 0 H GLN A 68 -8.713 -0.818 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.606 0.364 -1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.284 0.833 -4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.806 1.285 -3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.412 -1.197 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.764 -1.523 -4.211 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.733 0.426 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.275 0.097 -5.800 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.570 2.601 -1.084 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.167 3.894 -0.770 1.00 0.00 C ATOM 1077 C ASP A 69 -7.387 5.026 -1.431 1.00 0.00 C ATOM 1078 O ASP A 69 -6.213 5.242 -1.129 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.212 4.105 0.744 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.251 5.129 1.155 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.195 6.268 0.647 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -10.121 4.792 1.986 1.00 0.00 O ATOM 0 H ASP A 69 -6.772 2.352 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.185 3.901 -1.160 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.428 3.156 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.231 4.427 1.092 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.047 5.745 -2.333 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.414 6.854 -3.037 1.00 0.00 C ATOM 1089 C GLU A 70 -7.444 8.124 -2.191 1.00 0.00 C ATOM 1090 O GLU A 70 -6.458 8.857 -2.118 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.114 7.103 -4.375 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.154 7.329 -5.531 1.00 0.00 C ATOM 1093 CD GLU A 70 -7.869 7.644 -6.831 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -8.333 8.792 -6.989 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -7.965 6.742 -7.688 1.00 0.00 O ATOM 0 H GLU A 70 -9.019 5.580 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.374 6.587 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.753 6.250 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.765 7.972 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.480 8.149 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.538 6.440 -5.666 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.583 8.377 -1.554 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.741 9.556 -0.712 1.00 0.00 C ATOM 1104 C ALA A 71 -7.609 9.661 0.304 1.00 0.00 C ATOM 1105 O ALA A 71 -7.227 10.759 0.712 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.087 9.522 -0.004 1.00 0.00 C ATOM 0 H ALA A 71 -9.409 7.781 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.702 10.437 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.192 10.409 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.887 9.504 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.148 8.629 0.619 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.076 8.514 0.710 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.987 8.477 1.680 1.00 0.00 C ATOM 1114 C LEU A 72 -4.636 8.618 0.987 1.00 0.00 C ATOM 1115 O LEU A 72 -3.756 9.338 1.461 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.031 7.171 2.476 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.377 7.205 3.857 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -5.794 5.993 4.675 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -3.862 7.270 3.729 1.00 0.00 C ATOM 0 H LEU A 72 -7.380 7.597 0.383 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.113 9.316 2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.074 6.877 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.547 6.393 1.886 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.716 8.102 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.319 6.034 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.877 5.991 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.486 5.083 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.414 7.294 4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.504 6.393 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.581 8.171 3.183 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.478 7.928 -0.138 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.234 7.978 -0.897 1.00 0.00 C ATOM 1133 C ARG A 73 -2.897 9.412 -1.295 1.00 0.00 C ATOM 1134 O ARG A 73 -1.806 9.906 -1.010 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.339 7.101 -2.147 1.00 0.00 C ATOM 1136 CG ARG A 73 -2.526 5.820 -2.062 1.00 0.00 C ATOM 1137 CD ARG A 73 -1.764 5.558 -3.352 1.00 0.00 C ATOM 1138 NE ARG A 73 -1.817 4.151 -3.742 1.00 0.00 N ATOM 1139 CZ ARG A 73 -1.404 3.699 -4.921 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -0.910 4.539 -5.820 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -1.484 2.405 -5.201 1.00 0.00 N ATOM 0 H ARG A 73 -5.196 7.328 -0.544 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.434 7.598 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.385 6.847 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.007 7.675 -3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.824 5.888 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.189 4.980 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.181 6.172 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.724 5.861 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.192 3.479 -3.072 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.846 5.534 -5.607 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.593 4.190 -6.725 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.863 1.756 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.167 2.059 -6.106 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.841 10.074 -1.957 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.643 11.450 -2.396 1.00 0.00 C ATOM 1157 C ARG A 74 -3.204 12.334 -1.233 1.00 0.00 C ATOM 1158 O ARG A 74 -2.321 13.178 -1.380 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.930 12.001 -3.013 1.00 0.00 C ATOM 1160 CG ARG A 74 -5.401 11.227 -4.233 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.902 11.362 -4.433 1.00 0.00 C ATOM 1162 NE ARG A 74 -7.260 11.460 -5.846 1.00 0.00 N ATOM 1163 CZ ARG A 74 -8.459 11.837 -6.276 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -9.411 12.149 -5.407 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -8.707 11.902 -7.578 1.00 0.00 N ATOM 0 H ARG A 74 -4.750 9.680 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.856 11.455 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.718 11.990 -2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.772 13.042 -3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.881 11.591 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.141 10.174 -4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.405 10.502 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.260 12.247 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.550 11.226 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.223 12.100 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.331 12.438 -5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.977 11.662 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.628 12.191 -7.908 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.828 12.134 -0.076 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.502 12.912 1.112 1.00 0.00 C ATOM 1181 C ALA A 75 -2.007 12.861 1.408 1.00 0.00 C ATOM 1182 O ALA A 75 -1.363 13.896 1.583 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.296 12.407 2.308 1.00 0.00 C ATOM 0 H ALA A 75 -4.562 11.440 0.063 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.773 13.950 0.922 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.042 12.997 3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.362 12.501 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.053 11.360 2.491 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.460 11.651 1.463 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.041 11.466 1.737 1.00 0.00 C ATOM 1191 C ILE A 76 0.817 12.228 0.732 1.00 0.00 C ATOM 1192 O ILE A 76 1.885 12.735 1.072 1.00 0.00 O ATOM 1193 CB ILE A 76 0.350 9.977 1.704 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.480 9.187 2.718 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.836 9.813 1.986 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.398 7.688 2.529 1.00 0.00 C ATOM 0 H ILE A 76 -1.979 10.784 1.321 1.00 0.00 H new ATOM 0 HA ILE A 76 0.141 11.858 2.738 1.00 0.00 H new ATOM 0 HB ILE A 76 0.143 9.584 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.144 9.437 3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.522 9.498 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.097 8.755 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.411 10.348 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.066 10.219 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.010 7.192 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.762 7.426 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.638 7.364 2.633 1.00 0.00 H new