USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 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 35 GLN : amide:sc= 0 X(o=0,f=0.078) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.759 K(o=-0.76,f=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.75 K(o=-3.7,f=-5!) USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.0285 (180deg=-0.218) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -3.93! K(o=-3.9!,f=-0.73) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -143:sc= 0.265 USER MOD Single : A 26 MET CE :methyl 148:sc= -13.8! (180deg=-16.7!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 30 GLN : amide:sc= -0.0122 X(o=-0.012,f=-0.031) USER MOD Single : A 36 MET CE :methyl 166:sc= -1.03 (180deg=-1.61!) USER MOD Single : A 37 ASN : amide:sc= -0.0665 K(o=-0.067,f=-0.59) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -46:sc=0.000464 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc=-0.00822 K(o=-0.0082,f=-1.5!) USER MOD Single : A 51 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.405) USER MOD Single : A 53 GLN : amide:sc= -0.0172 K(o=-0.017,f=-1.4) USER MOD Single : A 54 GLN : amide:sc=-0.00337 K(o=-0.0034,f=-1.1) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 3 4.687 -10.572 -3.815 1.00 0.00 N ATOM 102 CA LEU A 3 3.936 -9.431 -3.303 1.00 0.00 C ATOM 103 C LEU A 3 4.852 -8.232 -3.080 1.00 0.00 C ATOM 104 O LEU A 3 4.405 -7.086 -3.098 1.00 0.00 O ATOM 105 CB LEU A 3 3.235 -9.802 -1.996 1.00 0.00 C ATOM 106 CG LEU A 3 1.924 -9.070 -1.706 1.00 0.00 C ATOM 107 CD1 LEU A 3 1.325 -9.547 -0.392 1.00 0.00 C ATOM 108 CD2 LEU A 3 2.150 -7.565 -1.675 1.00 0.00 C ATOM 0 HA LEU A 3 3.186 -9.158 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.035 -10.873 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.923 -9.614 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 3 1.219 -9.296 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.393 -9.015 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.127 -10.617 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.026 -9.351 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.207 -7.060 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.871 -7.321 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.534 -7.235 -2.640 1.00 0.00 H new ATOM 120 N GLN A 4 6.136 -8.506 -2.871 1.00 0.00 N ATOM 121 CA GLN A 4 7.115 -7.449 -2.646 1.00 0.00 C ATOM 122 C GLN A 4 7.083 -6.427 -3.778 1.00 0.00 C ATOM 123 O GLN A 4 7.083 -5.220 -3.538 1.00 0.00 O ATOM 124 CB GLN A 4 8.519 -8.043 -2.519 1.00 0.00 C ATOM 125 CG GLN A 4 8.693 -8.937 -1.302 1.00 0.00 C ATOM 126 CD GLN A 4 9.092 -8.163 -0.061 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.234 -8.240 0.392 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.150 -7.411 0.495 1.00 0.00 N ATOM 0 H GLN A 4 6.522 -9.450 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 4 6.857 -6.942 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.744 -8.618 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.245 -7.231 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.761 -9.468 -1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.451 -9.691 -1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.217 -7.377 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.360 -6.867 1.332 1.00 0.00 H new ATOM 137 N MET A 5 7.057 -6.919 -5.012 1.00 0.00 N ATOM 138 CA MET A 5 7.024 -6.048 -6.182 1.00 0.00 C ATOM 139 C MET A 5 5.912 -5.013 -6.057 1.00 0.00 C ATOM 140 O MET A 5 5.911 -4.001 -6.759 1.00 0.00 O ATOM 141 CB MET A 5 6.827 -6.875 -7.454 1.00 0.00 C ATOM 142 CG MET A 5 8.069 -7.641 -7.880 1.00 0.00 C ATOM 143 SD MET A 5 7.775 -8.704 -9.305 1.00 0.00 S ATOM 144 CE MET A 5 8.069 -7.557 -10.650 1.00 0.00 C ATOM 0 H MET A 5 7.058 -7.916 -5.228 1.00 0.00 H new ATOM 0 HA MET A 5 7.978 -5.524 -6.242 1.00 0.00 H new ATOM 0 HB2 MET A 5 6.011 -7.581 -7.296 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.523 -6.213 -8.265 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.864 -6.934 -8.117 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.421 -8.248 -7.046 1.00 0.00 H new ATOM 0 HE1 MET A 5 7.925 -8.068 -11.602 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.370 -6.724 -10.577 1.00 0.00 H new ATOM 0 HE3 MET A 5 9.090 -7.181 -10.591 1.00 0.00 H new ATOM 154 N ILE A 6 4.966 -5.271 -5.159 1.00 0.00 N ATOM 155 CA ILE A 6 3.849 -4.360 -4.943 1.00 0.00 C ATOM 156 C ILE A 6 4.108 -3.446 -3.751 1.00 0.00 C ATOM 157 O ILE A 6 4.231 -2.230 -3.902 1.00 0.00 O ATOM 158 CB ILE A 6 2.534 -5.127 -4.711 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.422 -6.298 -5.689 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.343 -4.192 -4.857 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.528 -5.886 -7.141 1.00 0.00 C ATOM 0 H ILE A 6 4.951 -6.103 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 6 3.754 -3.757 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 6 2.537 -5.525 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.206 -7.022 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.469 -6.802 -5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.421 -4.749 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.419 -3.388 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.334 -3.768 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.440 -6.767 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.728 -5.185 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.492 -5.409 -7.314 1.00 0.00 H new ATOM 173 N VAL A 7 4.192 -4.039 -2.564 1.00 0.00 N ATOM 174 CA VAL A 7 4.440 -3.279 -1.345 1.00 0.00 C ATOM 175 C VAL A 7 5.666 -2.385 -1.494 1.00 0.00 C ATOM 176 O VAL A 7 5.733 -1.304 -0.911 1.00 0.00 O ATOM 177 CB VAL A 7 4.641 -4.210 -0.134 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.312 -4.795 0.316 1.00 0.00 C ATOM 179 CG2 VAL A 7 5.633 -5.313 -0.470 1.00 0.00 C ATOM 0 H VAL A 7 4.092 -5.044 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 7 3.560 -2.658 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 7 5.049 -3.624 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.474 -5.450 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.636 -3.988 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.871 -5.367 -0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.763 -5.961 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.256 -5.899 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.592 -4.870 -0.739 1.00 0.00 H new ATOM 189 N GLU A 8 6.635 -2.845 -2.280 1.00 0.00 N ATOM 190 CA GLU A 8 7.860 -2.087 -2.506 1.00 0.00 C ATOM 191 C GLU A 8 7.573 -0.812 -3.295 1.00 0.00 C ATOM 192 O GLU A 8 8.241 0.205 -3.116 1.00 0.00 O ATOM 193 CB GLU A 8 8.885 -2.942 -3.252 1.00 0.00 C ATOM 194 CG GLU A 8 8.581 -3.105 -4.732 1.00 0.00 C ATOM 195 CD GLU A 8 9.194 -2.005 -5.578 1.00 0.00 C ATOM 196 OE1 GLU A 8 10.174 -1.381 -5.122 1.00 0.00 O ATOM 197 OE2 GLU A 8 8.692 -1.770 -6.697 1.00 0.00 O ATOM 0 H GLU A 8 6.595 -3.738 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 8 8.269 -1.808 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.871 -2.492 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.930 -3.927 -2.788 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.955 -4.071 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.501 -3.112 -4.879 1.00 0.00 H new ATOM 204 N ASN A 9 6.574 -0.877 -4.170 1.00 0.00 N ATOM 205 CA ASN A 9 6.199 0.270 -4.988 1.00 0.00 C ATOM 206 C ASN A 9 5.937 1.496 -4.118 1.00 0.00 C ATOM 207 O ASN A 9 6.182 2.629 -4.534 1.00 0.00 O ATOM 208 CB ASN A 9 4.955 -0.054 -5.819 1.00 0.00 C ATOM 209 CG ASN A 9 5.229 -1.097 -6.886 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.475 -2.059 -7.037 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.312 -0.911 -7.631 1.00 0.00 N ATOM 0 H ASN A 9 6.010 -1.712 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 9 7.029 0.492 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.164 -0.411 -5.160 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.589 0.858 -6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.548 -1.580 -8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.908 -0.099 -7.470 1.00 0.00 H new ATOM 218 N VAL A 10 5.439 1.261 -2.909 1.00 0.00 N ATOM 219 CA VAL A 10 5.145 2.346 -1.979 1.00 0.00 C ATOM 220 C VAL A 10 6.379 3.208 -1.734 1.00 0.00 C ATOM 221 O VAL A 10 6.299 4.436 -1.724 1.00 0.00 O ATOM 222 CB VAL A 10 4.633 1.806 -0.631 1.00 0.00 C ATOM 223 CG1 VAL A 10 4.533 2.928 0.391 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.290 1.114 -0.809 1.00 0.00 C ATOM 0 H VAL A 10 5.230 0.329 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 10 4.365 2.954 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 10 5.347 1.071 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.169 2.527 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.517 3.373 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.841 3.689 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.944 0.739 0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.564 1.825 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.399 0.282 -1.505 1.00 0.00 H new ATOM 234 N LYS A 11 7.520 2.556 -1.536 1.00 0.00 N ATOM 235 CA LYS A 11 8.772 3.261 -1.292 1.00 0.00 C ATOM 236 C LYS A 11 9.083 4.227 -2.431 1.00 0.00 C ATOM 237 O LYS A 11 9.633 5.307 -2.211 1.00 0.00 O ATOM 238 CB LYS A 11 9.920 2.263 -1.128 1.00 0.00 C ATOM 239 CG LYS A 11 9.709 1.274 0.005 1.00 0.00 C ATOM 240 CD LYS A 11 9.236 1.970 1.271 1.00 0.00 C ATOM 241 CE LYS A 11 9.652 1.203 2.517 1.00 0.00 C ATOM 242 NZ LYS A 11 11.120 1.290 2.757 1.00 0.00 N ATOM 0 H LYS A 11 7.603 1.539 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 11 8.663 3.835 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.048 1.713 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.845 2.812 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.976 0.526 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.641 0.745 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.648 2.978 1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.151 2.070 1.249 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.118 1.598 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.362 0.157 2.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.323 1.064 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.613 0.613 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.450 2.254 2.547 1.00 0.00 H new ATOM 256 N LEU A 12 8.728 3.833 -3.649 1.00 0.00 N ATOM 257 CA LEU A 12 8.968 4.664 -4.823 1.00 0.00 C ATOM 258 C LEU A 12 8.044 5.878 -4.829 1.00 0.00 C ATOM 259 O LEU A 12 8.458 6.983 -5.178 1.00 0.00 O ATOM 260 CB LEU A 12 8.764 3.848 -6.101 1.00 0.00 C ATOM 261 CG LEU A 12 8.980 4.597 -7.417 1.00 0.00 C ATOM 262 CD1 LEU A 12 7.856 5.592 -7.656 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.329 5.302 -7.414 1.00 0.00 C ATOM 0 H LEU A 12 8.273 2.943 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 12 9.999 5.015 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.442 2.995 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.750 3.449 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 12 8.974 3.872 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.027 6.115 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.905 5.062 -7.703 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.829 6.313 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.466 5.830 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.365 6.016 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.124 4.566 -7.291 1.00 0.00 H new ATOM 275 N ALA A 13 6.793 5.665 -4.437 1.00 0.00 N ATOM 276 CA ALA A 13 5.812 6.742 -4.392 1.00 0.00 C ATOM 277 C ALA A 13 6.124 7.722 -3.266 1.00 0.00 C ATOM 278 O ALA A 13 6.124 8.937 -3.470 1.00 0.00 O ATOM 279 CB ALA A 13 4.410 6.173 -4.226 1.00 0.00 C ATOM 0 H ALA A 13 6.434 4.756 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 13 5.862 7.285 -5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.688 6.989 -4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.181 5.518 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.356 5.604 -3.298 1.00 0.00 H new ATOM 285 N ARG A 14 6.388 7.188 -2.079 1.00 0.00 N ATOM 286 CA ARG A 14 6.699 8.016 -0.920 1.00 0.00 C ATOM 287 C ARG A 14 7.829 8.992 -1.238 1.00 0.00 C ATOM 288 O ARG A 14 7.771 10.164 -0.867 1.00 0.00 O ATOM 289 CB ARG A 14 7.089 7.139 0.271 1.00 0.00 C ATOM 290 CG ARG A 14 7.593 7.927 1.469 1.00 0.00 C ATOM 291 CD ARG A 14 8.402 7.051 2.412 1.00 0.00 C ATOM 292 NE ARG A 14 7.549 6.184 3.221 1.00 0.00 N ATOM 293 CZ ARG A 14 7.941 5.624 4.360 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.165 5.839 4.822 1.00 0.00 N ATOM 295 NH2 ARG A 14 7.106 4.848 5.040 1.00 0.00 N ATOM 0 H ARG A 14 6.393 6.185 -1.894 1.00 0.00 H new ATOM 0 HA ARG A 14 5.807 8.588 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.225 6.547 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.862 6.438 -0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.208 8.759 1.126 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.747 8.356 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.095 6.440 1.834 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.003 7.682 3.067 1.00 0.00 H new ATOM 0 HE ARG A 14 6.601 5.999 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.809 6.436 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.463 5.408 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.163 4.682 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.407 4.418 5.915 1.00 0.00 H new ATOM 309 N GLU A 15 8.854 8.499 -1.925 1.00 0.00 N ATOM 310 CA GLU A 15 9.997 9.328 -2.291 1.00 0.00 C ATOM 311 C GLU A 15 9.560 10.506 -3.156 1.00 0.00 C ATOM 312 O GLU A 15 10.057 11.622 -3.001 1.00 0.00 O ATOM 313 CB GLU A 15 11.043 8.494 -3.034 1.00 0.00 C ATOM 314 CG GLU A 15 12.454 9.046 -2.922 1.00 0.00 C ATOM 315 CD GLU A 15 13.204 8.489 -1.728 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.604 7.307 -1.778 1.00 0.00 O ATOM 317 OE2 GLU A 15 13.392 9.234 -0.744 1.00 0.00 O ATOM 0 H GLU A 15 8.917 7.531 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 15 10.439 9.718 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.028 7.476 -2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.767 8.435 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.005 8.813 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.410 10.132 -2.845 1.00 0.00 H new ATOM 324 N TYR A 16 8.629 10.249 -4.068 1.00 0.00 N ATOM 325 CA TYR A 16 8.127 11.287 -4.961 1.00 0.00 C ATOM 326 C TYR A 16 7.351 12.345 -4.184 1.00 0.00 C ATOM 327 O TYR A 16 7.309 13.512 -4.574 1.00 0.00 O ATOM 328 CB TYR A 16 7.233 10.672 -6.039 1.00 0.00 C ATOM 329 CG TYR A 16 8.001 9.940 -7.117 1.00 0.00 C ATOM 330 CD1 TYR A 16 9.039 9.076 -6.793 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.686 10.112 -8.460 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.743 8.406 -7.775 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.384 9.445 -9.448 1.00 0.00 C ATOM 334 CZ TYR A 16 9.412 8.593 -9.101 1.00 0.00 C ATOM 335 OH TYR A 16 10.110 7.927 -10.081 1.00 0.00 O ATOM 0 H TYR A 16 8.207 9.331 -4.208 1.00 0.00 H new ATOM 0 HA TYR A 16 8.982 11.766 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.534 9.980 -5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.639 11.461 -6.500 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.300 8.925 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.882 10.778 -8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.549 7.739 -7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.126 9.590 -10.487 1.00 0.00 H new ATOM 0 HH TYR A 16 9.751 8.169 -10.960 1.00 0.00 H new ATOM 345 N ALA A 17 6.738 11.929 -3.080 1.00 0.00 N ATOM 346 CA ALA A 17 5.965 12.841 -2.246 1.00 0.00 C ATOM 347 C ALA A 17 6.878 13.807 -1.497 1.00 0.00 C ATOM 348 O ALA A 17 6.576 14.995 -1.378 1.00 0.00 O ATOM 349 CB ALA A 17 5.105 12.058 -1.266 1.00 0.00 C ATOM 0 H ALA A 17 6.762 10.967 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 17 5.315 13.427 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.533 12.751 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.421 11.413 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.744 11.448 -0.628 1.00 0.00 H new ATOM 355 N LEU A 18 7.993 13.290 -0.995 1.00 0.00 N ATOM 356 CA LEU A 18 8.950 14.107 -0.256 1.00 0.00 C ATOM 357 C LEU A 18 9.624 15.120 -1.176 1.00 0.00 C ATOM 358 O LEU A 18 9.653 16.317 -0.883 1.00 0.00 O ATOM 359 CB LEU A 18 10.006 13.219 0.404 1.00 0.00 C ATOM 360 CG LEU A 18 9.480 12.002 1.166 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.582 11.383 2.011 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.292 12.390 2.035 1.00 0.00 C ATOM 0 H LEU A 18 8.257 12.309 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 18 8.407 14.650 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.692 12.870 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.587 13.831 1.094 1.00 0.00 H new ATOM 0 HG LEU A 18 9.147 11.259 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.188 10.519 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.402 11.068 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.947 12.118 2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.930 11.512 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.599 13.151 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.495 12.785 1.406 1.00 0.00 H new ATOM 374 N LEU A 19 10.163 14.635 -2.289 1.00 0.00 N ATOM 375 CA LEU A 19 10.835 15.499 -3.253 1.00 0.00 C ATOM 376 C LEU A 19 9.949 16.680 -3.636 1.00 0.00 C ATOM 377 O LEU A 19 10.389 17.829 -3.624 1.00 0.00 O ATOM 378 CB LEU A 19 11.211 14.703 -4.504 1.00 0.00 C ATOM 379 CG LEU A 19 12.591 14.043 -4.490 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.745 13.155 -3.265 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.811 13.241 -5.764 1.00 0.00 C ATOM 0 H LEU A 19 10.148 13.648 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 19 11.742 15.885 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.461 13.927 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.158 15.370 -5.364 1.00 0.00 H new ATOM 0 HG LEU A 19 13.347 14.826 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.733 12.694 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.632 13.756 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.981 12.377 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.798 12.778 -5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.049 12.466 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.744 13.903 -6.627 1.00 0.00 H new ATOM 393 N GLY A 20 8.696 16.390 -3.973 1.00 0.00 N ATOM 394 CA GLY A 20 7.767 17.439 -4.352 1.00 0.00 C ATOM 395 C GLY A 20 6.661 16.934 -5.258 1.00 0.00 C ATOM 396 O GLY A 20 5.662 17.620 -5.469 1.00 0.00 O ATOM 0 H GLY A 20 8.307 15.447 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.327 17.873 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.311 18.237 -4.858 1.00 0.00 H new ATOM 400 N ASN A 21 6.841 15.732 -5.796 1.00 0.00 N ATOM 401 CA ASN A 21 5.851 15.138 -6.686 1.00 0.00 C ATOM 402 C ASN A 21 4.891 14.241 -5.910 1.00 0.00 C ATOM 403 O ASN A 21 5.127 13.042 -5.762 1.00 0.00 O ATOM 404 CB ASN A 21 6.543 14.331 -7.787 1.00 0.00 C ATOM 405 CG ASN A 21 5.708 14.241 -9.049 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.236 14.036 -10.143 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.397 14.393 -8.904 1.00 0.00 N ATOM 0 H ASN A 21 7.663 15.151 -5.631 1.00 0.00 H new ATOM 0 HA ASN A 21 5.278 15.945 -7.142 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.503 14.791 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.752 13.326 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.785 14.342 -9.718 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.002 14.561 -7.979 1.00 0.00 H new ATOM 414 N TYR A 22 3.807 14.831 -5.418 1.00 0.00 N ATOM 415 CA TYR A 22 2.811 14.086 -4.656 1.00 0.00 C ATOM 416 C TYR A 22 1.839 13.366 -5.586 1.00 0.00 C ATOM 417 O TYR A 22 1.491 12.207 -5.361 1.00 0.00 O ATOM 418 CB TYR A 22 2.043 15.026 -3.726 1.00 0.00 C ATOM 419 CG TYR A 22 2.910 16.088 -3.086 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.271 17.232 -3.787 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.368 15.946 -1.783 1.00 0.00 C ATOM 422 CE1 TYR A 22 4.064 18.204 -3.208 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.159 16.913 -1.194 1.00 0.00 C ATOM 424 CZ TYR A 22 4.505 18.040 -1.911 1.00 0.00 C ATOM 425 OH TYR A 22 5.294 19.005 -1.329 1.00 0.00 O ATOM 0 H TYR A 22 3.596 15.822 -5.533 1.00 0.00 H new ATOM 0 HA TYR A 22 3.333 13.339 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.247 15.511 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.566 14.438 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.926 17.364 -4.802 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.101 15.064 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.337 19.087 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.505 16.788 -0.178 1.00 0.00 H new ATOM 0 HH TYR A 22 5.517 18.737 -0.413 1.00 0.00 H new ATOM 435 N ASP A 23 1.407 14.062 -6.632 1.00 0.00 N ATOM 436 CA ASP A 23 0.476 13.490 -7.598 1.00 0.00 C ATOM 437 C ASP A 23 0.972 12.135 -8.094 1.00 0.00 C ATOM 438 O ASP A 23 0.197 11.187 -8.218 1.00 0.00 O ATOM 439 CB ASP A 23 0.288 14.442 -8.781 1.00 0.00 C ATOM 440 CG ASP A 23 -1.078 14.303 -9.424 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.080 14.240 -8.681 1.00 0.00 O ATOM 442 OD2 ASP A 23 -1.145 14.258 -10.670 1.00 0.00 O ATOM 0 H ASP A 23 1.686 15.022 -6.833 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.483 13.346 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.424 15.469 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.059 14.247 -9.527 1.00 0.00 H new ATOM 447 N SER A 24 2.268 12.052 -8.376 1.00 0.00 N ATOM 448 CA SER A 24 2.866 10.814 -8.862 1.00 0.00 C ATOM 449 C SER A 24 2.745 9.706 -7.821 1.00 0.00 C ATOM 450 O SER A 24 2.592 8.533 -8.161 1.00 0.00 O ATOM 451 CB SER A 24 4.338 11.039 -9.216 1.00 0.00 C ATOM 452 OG SER A 24 4.793 10.070 -10.145 1.00 0.00 O ATOM 0 H SER A 24 2.924 12.827 -8.276 1.00 0.00 H new ATOM 0 HA SER A 24 2.327 10.506 -9.758 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.466 12.037 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.944 10.993 -8.311 1.00 0.00 H new ATOM 0 HG SER A 24 5.722 9.832 -9.941 1.00 0.00 H new ATOM 458 N ALA A 25 2.815 10.087 -6.550 1.00 0.00 N ATOM 459 CA ALA A 25 2.711 9.127 -5.458 1.00 0.00 C ATOM 460 C ALA A 25 1.328 8.487 -5.419 1.00 0.00 C ATOM 461 O ALA A 25 1.199 7.277 -5.239 1.00 0.00 O ATOM 462 CB ALA A 25 3.019 9.803 -4.130 1.00 0.00 C ATOM 0 H ALA A 25 2.943 11.054 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 25 3.443 8.338 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.938 9.074 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.031 10.207 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.309 10.613 -3.961 1.00 0.00 H new ATOM 468 N MET A 26 0.296 9.308 -5.588 1.00 0.00 N ATOM 469 CA MET A 26 -1.078 8.820 -5.573 1.00 0.00 C ATOM 470 C MET A 26 -1.310 7.814 -6.695 1.00 0.00 C ATOM 471 O MET A 26 -2.079 6.865 -6.542 1.00 0.00 O ATOM 472 CB MET A 26 -2.058 9.988 -5.709 1.00 0.00 C ATOM 473 CG MET A 26 -2.396 10.654 -4.385 1.00 0.00 C ATOM 474 SD MET A 26 -1.077 11.730 -3.791 1.00 0.00 S ATOM 475 CE MET A 26 0.015 10.536 -3.023 1.00 0.00 C ATOM 0 H MET A 26 0.385 10.313 -5.737 1.00 0.00 H new ATOM 0 HA MET A 26 -1.249 8.320 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.633 10.732 -6.383 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.978 9.628 -6.171 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.311 11.236 -4.499 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.597 9.886 -3.638 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.047 10.873 -3.119 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.238 10.438 -1.967 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.099 9.570 -3.515 1.00 0.00 H new ATOM 485 N VAL A 27 -0.641 8.027 -7.824 1.00 0.00 N ATOM 486 CA VAL A 27 -0.774 7.138 -8.971 1.00 0.00 C ATOM 487 C VAL A 27 -0.286 5.733 -8.637 1.00 0.00 C ATOM 488 O VAL A 27 -0.966 4.745 -8.919 1.00 0.00 O ATOM 489 CB VAL A 27 0.012 7.667 -10.186 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.097 6.701 -11.355 1.00 0.00 C ATOM 491 CG2 VAL A 27 -0.483 9.051 -10.578 1.00 0.00 C ATOM 0 H VAL A 27 -0.001 8.808 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.834 7.102 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 27 1.063 7.747 -9.910 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.464 7.092 -12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.310 5.732 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.144 6.585 -11.635 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.083 9.410 -11.438 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.541 9.000 -10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.346 9.737 -9.742 1.00 0.00 H new ATOM 501 N TYR A 28 0.895 5.650 -8.035 1.00 0.00 N ATOM 502 CA TYR A 28 1.475 4.365 -7.664 1.00 0.00 C ATOM 503 C TYR A 28 0.719 3.743 -6.494 1.00 0.00 C ATOM 504 O TYR A 28 0.441 2.544 -6.487 1.00 0.00 O ATOM 505 CB TYR A 28 2.951 4.535 -7.300 1.00 0.00 C ATOM 506 CG TYR A 28 3.887 4.391 -8.479 1.00 0.00 C ATOM 507 CD1 TYR A 28 3.936 5.360 -9.474 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.722 3.287 -8.598 1.00 0.00 C ATOM 509 CE1 TYR A 28 4.788 5.232 -10.553 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.578 3.152 -9.673 1.00 0.00 C ATOM 511 CZ TYR A 28 5.608 4.127 -10.649 1.00 0.00 C ATOM 512 OH TYR A 28 6.459 3.997 -11.722 1.00 0.00 O ATOM 0 H TYR A 28 1.469 6.457 -7.794 1.00 0.00 H new ATOM 0 HA TYR A 28 1.393 3.697 -8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 28 3.095 5.518 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.217 3.797 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.297 6.228 -9.402 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.701 2.521 -7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.812 5.994 -11.318 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.221 2.288 -9.750 1.00 0.00 H new ATOM 0 HH TYR A 28 6.967 3.164 -11.637 1.00 0.00 H new ATOM 522 N TYR A 29 0.390 4.568 -5.506 1.00 0.00 N ATOM 523 CA TYR A 29 -0.333 4.101 -4.329 1.00 0.00 C ATOM 524 C TYR A 29 -1.628 3.400 -4.727 1.00 0.00 C ATOM 525 O TYR A 29 -1.866 2.253 -4.350 1.00 0.00 O ATOM 526 CB TYR A 29 -0.640 5.272 -3.395 1.00 0.00 C ATOM 527 CG TYR A 29 0.455 5.549 -2.390 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.915 4.549 -1.542 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.029 6.810 -2.288 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.915 4.797 -0.621 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.031 7.067 -1.372 1.00 0.00 C ATOM 532 CZ TYR A 29 2.470 6.058 -0.541 1.00 0.00 C ATOM 533 OH TYR A 29 3.466 6.310 0.375 1.00 0.00 O ATOM 0 H TYR A 29 0.613 5.563 -5.497 1.00 0.00 H new ATOM 0 HA TYR A 29 0.300 3.384 -3.806 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.808 6.168 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.568 5.066 -2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.484 3.561 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.686 7.603 -2.936 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.260 4.009 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.468 8.053 -1.307 1.00 0.00 H new ATOM 0 HH TYR A 29 3.749 7.245 0.302 1.00 0.00 H new ATOM 543 N GLN A 30 -2.460 4.099 -5.493 1.00 0.00 N ATOM 544 CA GLN A 30 -3.731 3.545 -5.943 1.00 0.00 C ATOM 545 C GLN A 30 -3.531 2.177 -6.588 1.00 0.00 C ATOM 546 O GLN A 30 -4.359 1.280 -6.436 1.00 0.00 O ATOM 547 CB GLN A 30 -4.404 4.496 -6.934 1.00 0.00 C ATOM 548 CG GLN A 30 -5.716 3.966 -7.491 1.00 0.00 C ATOM 549 CD GLN A 30 -6.807 3.890 -6.442 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.682 4.754 -6.376 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.763 2.852 -5.615 1.00 0.00 N ATOM 0 H GLN A 30 -2.276 5.049 -5.815 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.375 3.425 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.587 5.451 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.720 4.690 -7.760 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.046 4.609 -8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.553 2.974 -7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.020 2.159 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.472 2.748 -4.890 1.00 0.00 H new ATOM 560 N GLY A 31 -2.425 2.025 -7.310 1.00 0.00 N ATOM 561 CA GLY A 31 -2.136 0.765 -7.969 1.00 0.00 C ATOM 562 C GLY A 31 -1.697 -0.311 -6.995 1.00 0.00 C ATOM 563 O GLY A 31 -2.039 -1.482 -7.156 1.00 0.00 O ATOM 0 H GLY A 31 -1.724 2.752 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.023 0.426 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.354 0.918 -8.713 1.00 0.00 H new ATOM 567 N VAL A 32 -0.935 0.087 -5.980 1.00 0.00 N ATOM 568 CA VAL A 32 -0.448 -0.852 -4.977 1.00 0.00 C ATOM 569 C VAL A 32 -1.601 -1.453 -4.181 1.00 0.00 C ATOM 570 O VAL A 32 -1.662 -2.666 -3.976 1.00 0.00 O ATOM 571 CB VAL A 32 0.535 -0.173 -4.004 1.00 0.00 C ATOM 572 CG1 VAL A 32 0.782 -1.057 -2.791 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.842 0.156 -4.710 1.00 0.00 C ATOM 0 H VAL A 32 -0.642 1.053 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 32 0.072 -1.646 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 32 0.091 0.760 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.479 -0.561 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.160 -1.236 -2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.205 -2.008 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.524 0.635 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.294 -0.762 -5.086 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.646 0.831 -5.543 1.00 0.00 H new ATOM 583 N LEU A 33 -2.513 -0.597 -3.734 1.00 0.00 N ATOM 584 CA LEU A 33 -3.667 -1.043 -2.960 1.00 0.00 C ATOM 585 C LEU A 33 -4.554 -1.966 -3.788 1.00 0.00 C ATOM 586 O LEU A 33 -5.058 -2.972 -3.289 1.00 0.00 O ATOM 587 CB LEU A 33 -4.476 0.161 -2.474 1.00 0.00 C ATOM 588 CG LEU A 33 -3.874 0.948 -1.310 1.00 0.00 C ATOM 589 CD1 LEU A 33 -3.368 0.003 -0.231 1.00 0.00 C ATOM 590 CD2 LEU A 33 -2.751 1.851 -1.800 1.00 0.00 C ATOM 0 H LEU A 33 -2.476 0.410 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.302 -1.599 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.616 0.842 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.466 -0.187 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.655 1.574 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.943 0.582 0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.196 -0.601 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.602 -0.650 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.335 2.403 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.970 1.244 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.143 2.553 -2.536 1.00 0.00 H new ATOM 602 N ASP A 34 -4.740 -1.618 -5.057 1.00 0.00 N ATOM 603 CA ASP A 34 -5.564 -2.417 -5.956 1.00 0.00 C ATOM 604 C ASP A 34 -4.918 -3.772 -6.225 1.00 0.00 C ATOM 605 O ASP A 34 -5.562 -4.813 -6.097 1.00 0.00 O ATOM 606 CB ASP A 34 -5.786 -1.673 -7.274 1.00 0.00 C ATOM 607 CG ASP A 34 -6.897 -0.646 -7.180 1.00 0.00 C ATOM 608 OD1 ASP A 34 -8.042 -1.037 -6.867 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.622 0.548 -7.417 1.00 0.00 O ATOM 0 H ASP A 34 -4.331 -0.788 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.528 -2.584 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.861 -1.177 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.025 -2.392 -8.058 1.00 0.00 H new ATOM 614 N GLN A 35 -3.643 -3.751 -6.599 1.00 0.00 N ATOM 615 CA GLN A 35 -2.911 -4.979 -6.888 1.00 0.00 C ATOM 616 C GLN A 35 -2.759 -5.830 -5.631 1.00 0.00 C ATOM 617 O GLN A 35 -2.857 -7.055 -5.685 1.00 0.00 O ATOM 618 CB GLN A 35 -1.533 -4.652 -7.467 1.00 0.00 C ATOM 619 CG GLN A 35 -1.591 -3.874 -8.772 1.00 0.00 C ATOM 620 CD GLN A 35 -1.678 -4.778 -9.986 1.00 0.00 C ATOM 621 OE1 GLN A 35 -0.660 -5.163 -10.561 1.00 0.00 O ATOM 622 NE2 GLN A 35 -2.898 -5.121 -10.382 1.00 0.00 N ATOM 0 H GLN A 35 -3.095 -2.898 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.480 -5.548 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.968 -4.076 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.987 -5.581 -7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.454 -3.209 -8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.705 -3.244 -8.855 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.714 -4.778 -9.875 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.019 -5.727 -11.193 1.00 0.00 H new ATOM 631 N MET A 36 -2.518 -5.171 -4.502 1.00 0.00 N ATOM 632 CA MET A 36 -2.353 -5.868 -3.232 1.00 0.00 C ATOM 633 C MET A 36 -3.570 -6.735 -2.925 1.00 0.00 C ATOM 634 O MET A 36 -3.438 -7.913 -2.596 1.00 0.00 O ATOM 635 CB MET A 36 -2.130 -4.864 -2.100 1.00 0.00 C ATOM 636 CG MET A 36 -0.666 -4.528 -1.866 1.00 0.00 C ATOM 637 SD MET A 36 -0.343 -3.962 -0.184 1.00 0.00 S ATOM 638 CE MET A 36 -0.898 -5.377 0.762 1.00 0.00 C ATOM 0 H MET A 36 -2.433 -4.156 -4.441 1.00 0.00 H new ATOM 0 HA MET A 36 -1.479 -6.515 -3.312 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.673 -3.947 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.554 -5.266 -1.180 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.058 -5.409 -2.072 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.357 -3.756 -2.571 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.541 -5.291 1.788 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.987 -5.412 0.759 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.504 -6.290 0.316 1.00 0.00 H new ATOM 648 N ASN A 37 -4.755 -6.144 -3.036 1.00 0.00 N ATOM 649 CA ASN A 37 -5.996 -6.863 -2.769 1.00 0.00 C ATOM 650 C ASN A 37 -6.076 -8.137 -3.604 1.00 0.00 C ATOM 651 O ASN A 37 -6.395 -9.210 -3.090 1.00 0.00 O ATOM 652 CB ASN A 37 -7.202 -5.969 -3.066 1.00 0.00 C ATOM 653 CG ASN A 37 -7.671 -5.205 -1.843 1.00 0.00 C ATOM 654 OD1 ASN A 37 -7.779 -5.765 -0.752 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.953 -3.919 -2.020 1.00 0.00 N ATOM 0 H ASN A 37 -4.882 -5.169 -3.309 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.008 -7.139 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.942 -5.263 -3.854 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.020 -6.582 -3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.274 -3.354 -1.233 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.849 -3.496 -2.942 1.00 0.00 H new ATOM 662 N LYS A 38 -5.784 -8.013 -4.894 1.00 0.00 N ATOM 663 CA LYS A 38 -5.821 -9.154 -5.801 1.00 0.00 C ATOM 664 C LYS A 38 -4.995 -10.312 -5.251 1.00 0.00 C ATOM 665 O LYS A 38 -5.373 -11.476 -5.387 1.00 0.00 O ATOM 666 CB LYS A 38 -5.298 -8.751 -7.182 1.00 0.00 C ATOM 667 CG LYS A 38 -6.097 -7.635 -7.833 1.00 0.00 C ATOM 668 CD LYS A 38 -5.979 -7.675 -9.347 1.00 0.00 C ATOM 669 CE LYS A 38 -6.394 -6.352 -9.973 1.00 0.00 C ATOM 670 NZ LYS A 38 -5.842 -6.192 -11.347 1.00 0.00 N ATOM 0 H LYS A 38 -5.519 -7.133 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.857 -9.481 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.258 -8.436 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.310 -9.624 -7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.145 -7.722 -7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.745 -6.671 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.951 -7.905 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.603 -8.477 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.482 -6.293 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.051 -5.530 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.894 -5.192 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.850 -6.505 -11.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.396 -6.768 -12.013 1.00 0.00 H new ATOM 684 N TYR A 39 -3.867 -9.986 -4.630 1.00 0.00 N ATOM 685 CA TYR A 39 -2.987 -11.000 -4.061 1.00 0.00 C ATOM 686 C TYR A 39 -3.625 -11.650 -2.837 1.00 0.00 C ATOM 687 O TYR A 39 -3.631 -12.874 -2.702 1.00 0.00 O ATOM 688 CB TYR A 39 -1.641 -10.381 -3.680 1.00 0.00 C ATOM 689 CG TYR A 39 -0.719 -11.336 -2.955 1.00 0.00 C ATOM 690 CD1 TYR A 39 -1.029 -11.801 -1.684 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.462 -11.773 -3.543 1.00 0.00 C ATOM 692 CE1 TYR A 39 -0.190 -12.673 -1.017 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.307 -12.646 -2.885 1.00 0.00 C ATOM 694 CZ TYR A 39 0.977 -13.093 -1.622 1.00 0.00 C ATOM 695 OH TYR A 39 1.815 -13.962 -0.962 1.00 0.00 O ATOM 0 H TYR A 39 -3.540 -9.027 -4.508 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.825 -11.770 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.145 -10.026 -4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.817 -9.510 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.942 -11.475 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.724 -11.424 -4.531 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.446 -13.024 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.221 -12.977 -3.357 1.00 0.00 H new ATOM 0 HH TYR A 39 2.592 -14.159 -1.526 1.00 0.00 H new ATOM 705 N LEU A 40 -4.162 -10.822 -1.948 1.00 0.00 N ATOM 706 CA LEU A 40 -4.805 -11.314 -0.735 1.00 0.00 C ATOM 707 C LEU A 40 -6.006 -12.192 -1.072 1.00 0.00 C ATOM 708 O LEU A 40 -6.313 -13.143 -0.353 1.00 0.00 O ATOM 709 CB LEU A 40 -5.246 -10.142 0.143 1.00 0.00 C ATOM 710 CG LEU A 40 -4.346 -8.906 0.115 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.610 -8.026 1.328 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.882 -9.314 0.059 1.00 0.00 C ATOM 0 H LEU A 40 -4.165 -9.807 -2.044 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.080 -11.917 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.249 -9.843 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.317 -10.492 1.173 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.577 -8.332 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.961 -7.151 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.652 -7.705 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.407 -8.590 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.256 -8.422 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.637 -9.910 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.703 -9.903 -0.841 1.00 0.00 H new ATOM 724 N TYR A 41 -6.679 -11.868 -2.170 1.00 0.00 N ATOM 725 CA TYR A 41 -7.846 -12.627 -2.603 1.00 0.00 C ATOM 726 C TYR A 41 -7.429 -13.931 -3.275 1.00 0.00 C ATOM 727 O TYR A 41 -8.185 -14.903 -3.292 1.00 0.00 O ATOM 728 CB TYR A 41 -8.695 -11.793 -3.564 1.00 0.00 C ATOM 729 CG TYR A 41 -10.179 -12.062 -3.451 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.741 -13.208 -4.000 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.018 -11.170 -2.795 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.096 -13.457 -3.900 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.374 -11.412 -2.688 1.00 0.00 C ATOM 734 CZ TYR A 41 -12.908 -12.556 -3.243 1.00 0.00 C ATOM 735 OH TYR A 41 -14.258 -12.802 -3.139 1.00 0.00 O ATOM 0 H TYR A 41 -6.436 -11.085 -2.777 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.439 -12.868 -1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.511 -10.736 -3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.375 -11.994 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.108 -13.916 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.603 -10.272 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.517 -14.352 -4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.012 -10.709 -2.173 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.687 -12.071 -2.646 1.00 0.00 H new ATOM 745 N SER A 42 -6.220 -13.945 -3.828 1.00 0.00 N ATOM 746 CA SER A 42 -5.702 -15.128 -4.504 1.00 0.00 C ATOM 747 C SER A 42 -5.024 -16.068 -3.512 1.00 0.00 C ATOM 748 O SER A 42 -4.430 -17.074 -3.899 1.00 0.00 O ATOM 749 CB SER A 42 -4.713 -14.723 -5.599 1.00 0.00 C ATOM 750 OG SER A 42 -4.667 -15.695 -6.629 1.00 0.00 O ATOM 0 H SER A 42 -5.581 -13.150 -3.821 1.00 0.00 H new ATOM 0 HA SER A 42 -6.542 -15.653 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.003 -13.759 -6.017 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.720 -14.598 -5.168 1.00 0.00 H new ATOM 0 HG SER A 42 -4.601 -16.589 -6.233 1.00 0.00 H new ATOM 756 N VAL A 43 -5.116 -15.731 -2.230 1.00 0.00 N ATOM 757 CA VAL A 43 -4.512 -16.544 -1.180 1.00 0.00 C ATOM 758 C VAL A 43 -5.414 -17.714 -0.805 1.00 0.00 C ATOM 759 O VAL A 43 -6.637 -17.631 -0.917 1.00 0.00 O ATOM 760 CB VAL A 43 -4.222 -15.708 0.080 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.745 -16.601 1.215 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.199 -14.624 -0.223 1.00 0.00 C ATOM 0 H VAL A 43 -5.603 -14.901 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.572 -16.927 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.147 -15.224 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.545 -15.993 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.515 -17.336 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.832 -17.115 0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.006 -14.043 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.271 -15.084 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.585 -13.967 -1.002 1.00 0.00 H new ATOM 772 N LYS A 44 -4.802 -18.806 -0.358 1.00 0.00 N ATOM 773 CA LYS A 44 -5.548 -19.994 0.037 1.00 0.00 C ATOM 774 C LYS A 44 -5.576 -20.140 1.555 1.00 0.00 C ATOM 775 O LYS A 44 -6.473 -20.773 2.111 1.00 0.00 O ATOM 776 CB LYS A 44 -4.930 -21.243 -0.595 1.00 0.00 C ATOM 777 CG LYS A 44 -4.938 -21.224 -2.114 1.00 0.00 C ATOM 778 CD LYS A 44 -4.832 -22.626 -2.690 1.00 0.00 C ATOM 779 CE LYS A 44 -5.253 -22.663 -4.151 1.00 0.00 C ATOM 780 NZ LYS A 44 -4.613 -23.789 -4.885 1.00 0.00 N ATOM 0 H LYS A 44 -3.790 -18.892 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.573 -19.883 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.902 -21.345 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.473 -22.122 -0.248 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.855 -20.753 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.108 -20.617 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.806 -22.982 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.459 -23.306 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.337 -22.758 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.987 -21.720 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.926 -23.779 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.579 -23.685 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.887 -24.691 -4.445 1.00 0.00 H new ATOM 794 N ASP A 45 -4.588 -19.550 2.219 1.00 0.00 N ATOM 795 CA ASP A 45 -4.501 -19.613 3.673 1.00 0.00 C ATOM 796 C ASP A 45 -4.930 -18.290 4.301 1.00 0.00 C ATOM 797 O ASP A 45 -4.152 -17.337 4.360 1.00 0.00 O ATOM 798 CB ASP A 45 -3.075 -19.958 4.106 1.00 0.00 C ATOM 799 CG ASP A 45 -3.028 -20.626 5.466 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.988 -21.350 5.805 1.00 0.00 O ATOM 801 OD2 ASP A 45 -2.031 -20.426 6.190 1.00 0.00 O ATOM 0 H ASP A 45 -3.837 -19.023 1.774 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.177 -20.395 4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.623 -20.617 3.365 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.476 -19.048 4.131 1.00 0.00 H new ATOM 806 N THR A 46 -6.173 -18.238 4.768 1.00 0.00 N ATOM 807 CA THR A 46 -6.707 -17.032 5.389 1.00 0.00 C ATOM 808 C THR A 46 -5.688 -16.402 6.331 1.00 0.00 C ATOM 809 O THR A 46 -5.672 -15.185 6.521 1.00 0.00 O ATOM 810 CB THR A 46 -7.999 -17.328 6.172 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.720 -18.217 7.260 1.00 0.00 O ATOM 812 CG2 THR A 46 -9.053 -17.944 5.265 1.00 0.00 C ATOM 0 H THR A 46 -6.830 -19.018 4.728 1.00 0.00 H new ATOM 0 HA THR A 46 -6.932 -16.334 4.582 1.00 0.00 H new ATOM 0 HB THR A 46 -8.384 -16.386 6.562 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.547 -18.399 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.957 -18.144 5.841 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.285 -17.253 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.674 -18.877 4.848 1.00 0.00 H new ATOM 820 N HIS A 47 -4.837 -17.237 6.919 1.00 0.00 N ATOM 821 CA HIS A 47 -3.813 -16.760 7.842 1.00 0.00 C ATOM 822 C HIS A 47 -2.784 -15.901 7.114 1.00 0.00 C ATOM 823 O HIS A 47 -2.341 -14.873 7.630 1.00 0.00 O ATOM 824 CB HIS A 47 -3.119 -17.941 8.522 1.00 0.00 C ATOM 825 CG HIS A 47 -3.815 -18.411 9.762 1.00 0.00 C ATOM 826 ND1 HIS A 47 -3.648 -17.812 10.992 1.00 0.00 N ATOM 827 CD2 HIS A 47 -4.686 -19.429 9.956 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.384 -18.441 11.890 1.00 0.00 C ATOM 829 NE2 HIS A 47 -5.024 -19.427 11.287 1.00 0.00 N ATOM 0 H HIS A 47 -4.836 -18.246 6.773 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.300 -16.148 8.601 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.053 -18.769 7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.098 -17.656 8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.048 -20.115 9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.451 -18.192 12.939 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.665 -20.081 11.737 1.00 0.00 H new ATOM 838 N LEU A 48 -2.406 -16.327 5.914 1.00 0.00 N ATOM 839 CA LEU A 48 -1.428 -15.597 5.115 1.00 0.00 C ATOM 840 C LEU A 48 -1.988 -14.252 4.665 1.00 0.00 C ATOM 841 O LEU A 48 -1.357 -13.211 4.853 1.00 0.00 O ATOM 842 CB LEU A 48 -1.017 -16.424 3.896 1.00 0.00 C ATOM 843 CG LEU A 48 -0.322 -15.659 2.769 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.900 -14.924 3.296 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.067 -16.606 1.643 1.00 0.00 C ATOM 0 H LEU A 48 -2.762 -17.175 5.473 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.551 -15.415 5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.353 -17.221 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.908 -16.901 3.488 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.020 -14.922 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.381 -14.386 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.595 -14.216 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.602 -15.642 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.560 -16.045 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.747 -17.367 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.827 -17.086 1.246 1.00 0.00 H new ATOM 857 N ARG A 49 -3.177 -14.280 4.072 1.00 0.00 N ATOM 858 CA ARG A 49 -3.823 -13.062 3.596 1.00 0.00 C ATOM 859 C ARG A 49 -4.283 -12.198 4.766 1.00 0.00 C ATOM 860 O ARG A 49 -4.343 -10.974 4.659 1.00 0.00 O ATOM 861 CB ARG A 49 -5.016 -13.408 2.703 1.00 0.00 C ATOM 862 CG ARG A 49 -6.053 -14.286 3.384 1.00 0.00 C ATOM 863 CD ARG A 49 -7.347 -14.341 2.588 1.00 0.00 C ATOM 864 NE ARG A 49 -8.171 -13.154 2.801 1.00 0.00 N ATOM 865 CZ ARG A 49 -8.822 -12.905 3.932 1.00 0.00 C ATOM 866 NH1 ARG A 49 -8.744 -13.755 4.947 1.00 0.00 N ATOM 867 NH2 ARG A 49 -9.552 -11.803 4.050 1.00 0.00 N ATOM 0 H ARG A 49 -3.713 -15.133 3.910 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.094 -12.497 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.493 -12.485 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.654 -13.915 1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.655 -15.294 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.256 -13.902 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.116 -14.437 1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.910 -15.229 2.873 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.251 -12.480 2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.183 -14.603 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.245 -13.561 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.614 -11.146 3.272 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.051 -11.613 4.919 1.00 0.00 H new ATOM 881 N GLN A 50 -4.608 -12.845 5.881 1.00 0.00 N ATOM 882 CA GLN A 50 -5.064 -12.135 7.070 1.00 0.00 C ATOM 883 C GLN A 50 -3.983 -11.192 7.589 1.00 0.00 C ATOM 884 O GLN A 50 -4.277 -10.104 8.083 1.00 0.00 O ATOM 885 CB GLN A 50 -5.459 -13.129 8.163 1.00 0.00 C ATOM 886 CG GLN A 50 -5.550 -12.507 9.547 1.00 0.00 C ATOM 887 CD GLN A 50 -6.796 -11.663 9.727 1.00 0.00 C ATOM 888 OE1 GLN A 50 -7.754 -11.779 8.961 1.00 0.00 O ATOM 889 NE2 GLN A 50 -6.791 -10.807 10.742 1.00 0.00 N ATOM 0 H GLN A 50 -4.564 -13.859 5.986 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.937 -11.542 6.796 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.422 -13.572 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.731 -13.940 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.540 -13.297 10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.669 -11.889 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.976 -10.744 11.352 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.602 -10.213 10.912 1.00 0.00 H new ATOM 898 N LYS A 51 -2.729 -11.618 7.476 1.00 0.00 N ATOM 899 CA LYS A 51 -1.603 -10.813 7.933 1.00 0.00 C ATOM 900 C LYS A 51 -1.403 -9.597 7.035 1.00 0.00 C ATOM 901 O LYS A 51 -1.202 -8.483 7.518 1.00 0.00 O ATOM 902 CB LYS A 51 -0.325 -11.655 7.960 1.00 0.00 C ATOM 903 CG LYS A 51 0.923 -10.857 8.293 1.00 0.00 C ATOM 904 CD LYS A 51 2.186 -11.655 8.018 1.00 0.00 C ATOM 905 CE LYS A 51 2.614 -12.458 9.237 1.00 0.00 C ATOM 906 NZ LYS A 51 1.964 -13.797 9.276 1.00 0.00 N ATOM 0 H LYS A 51 -2.467 -12.517 7.071 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.824 -10.465 8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.442 -12.453 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.193 -12.131 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.936 -9.939 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.899 -10.563 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.016 -12.329 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.989 -10.978 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.697 -12.580 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.362 -11.906 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.542 -13.951 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.221 -13.843 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.675 -14.533 9.091 1.00 0.00 H new ATOM 920 N TRP A 52 -1.463 -9.817 5.726 1.00 0.00 N ATOM 921 CA TRP A 52 -1.290 -8.738 4.761 1.00 0.00 C ATOM 922 C TRP A 52 -2.339 -7.651 4.967 1.00 0.00 C ATOM 923 O TRP A 52 -2.067 -6.468 4.764 1.00 0.00 O ATOM 924 CB TRP A 52 -1.376 -9.283 3.334 1.00 0.00 C ATOM 925 CG TRP A 52 -0.213 -10.152 2.960 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.263 -11.446 2.526 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.172 -9.789 2.988 1.00 0.00 C ATOM 928 NE1 TRP A 52 1.008 -11.909 2.283 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.905 -10.912 2.557 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.863 -8.625 3.333 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.295 -10.902 2.465 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.242 -8.617 3.240 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.946 -9.749 2.809 1.00 0.00 C ATOM 0 H TRP A 52 -1.630 -10.733 5.309 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.304 -8.300 4.916 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.298 -9.855 3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.436 -8.448 2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.168 -12.021 2.393 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.245 -12.844 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.329 -7.747 3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.840 -11.774 2.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.786 -7.722 3.504 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.024 -9.711 2.747 1.00 0.00 H new ATOM 944 N GLN A 53 -3.538 -8.060 5.370 1.00 0.00 N ATOM 945 CA GLN A 53 -4.627 -7.119 5.602 1.00 0.00 C ATOM 946 C GLN A 53 -4.214 -6.044 6.602 1.00 0.00 C ATOM 947 O GLN A 53 -4.706 -4.917 6.554 1.00 0.00 O ATOM 948 CB GLN A 53 -5.867 -7.856 6.111 1.00 0.00 C ATOM 949 CG GLN A 53 -7.107 -6.981 6.187 1.00 0.00 C ATOM 950 CD GLN A 53 -8.371 -7.780 6.435 1.00 0.00 C ATOM 951 OE1 GLN A 53 -8.378 -9.005 6.315 1.00 0.00 O ATOM 952 NE2 GLN A 53 -9.450 -7.089 6.784 1.00 0.00 N ATOM 0 H GLN A 53 -3.779 -9.036 5.542 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.864 -6.636 4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.070 -8.703 5.456 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.658 -8.261 7.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.982 -6.249 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.211 -6.423 5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.399 -6.074 6.872 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.329 -7.573 6.964 1.00 0.00 H new ATOM 961 N GLN A 54 -3.308 -6.401 7.507 1.00 0.00 N ATOM 962 CA GLN A 54 -2.830 -5.467 8.519 1.00 0.00 C ATOM 963 C GLN A 54 -1.918 -4.413 7.900 1.00 0.00 C ATOM 964 O GLN A 54 -2.007 -3.230 8.227 1.00 0.00 O ATOM 965 CB GLN A 54 -2.086 -6.217 9.625 1.00 0.00 C ATOM 966 CG GLN A 54 -1.648 -5.325 10.776 1.00 0.00 C ATOM 967 CD GLN A 54 -1.044 -6.110 11.924 1.00 0.00 C ATOM 968 OE1 GLN A 54 -1.316 -7.299 12.090 1.00 0.00 O ATOM 969 NE2 GLN A 54 -0.218 -5.446 12.725 1.00 0.00 N ATOM 0 H GLN A 54 -2.891 -7.330 7.560 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.695 -4.964 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.729 -7.007 10.013 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.208 -6.701 9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.919 -4.601 10.413 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.506 -4.759 11.139 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.021 -4.461 12.550 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.219 -5.922 13.515 1.00 0.00 H new ATOM 978 N VAL A 55 -1.039 -4.851 7.003 1.00 0.00 N ATOM 979 CA VAL A 55 -0.111 -3.945 6.338 1.00 0.00 C ATOM 980 C VAL A 55 -0.826 -3.094 5.294 1.00 0.00 C ATOM 981 O VAL A 55 -0.496 -1.924 5.101 1.00 0.00 O ATOM 982 CB VAL A 55 1.035 -4.718 5.657 1.00 0.00 C ATOM 983 CG1 VAL A 55 2.001 -3.755 4.983 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.760 -5.594 6.667 1.00 0.00 C ATOM 0 H VAL A 55 -0.951 -5.827 6.721 1.00 0.00 H new ATOM 0 HA VAL A 55 0.305 -3.296 7.108 1.00 0.00 H new ATOM 0 HB VAL A 55 0.609 -5.364 4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.804 -4.318 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.469 -3.174 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.423 -3.081 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.566 -6.133 6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.175 -4.970 7.458 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.059 -6.308 7.099 1.00 0.00 H new ATOM 994 N TRP A 56 -1.806 -3.689 4.625 1.00 0.00 N ATOM 995 CA TRP A 56 -2.569 -2.985 3.600 1.00 0.00 C ATOM 996 C TRP A 56 -3.248 -1.749 4.180 1.00 0.00 C ATOM 997 O TRP A 56 -3.337 -0.714 3.522 1.00 0.00 O ATOM 998 CB TRP A 56 -3.615 -3.916 2.984 1.00 0.00 C ATOM 999 CG TRP A 56 -4.548 -3.218 2.041 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.506 -3.247 0.676 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.660 -2.388 2.393 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.525 -2.484 0.159 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -6.248 -1.948 1.191 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.218 -1.976 3.606 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -7.364 -1.115 1.170 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.326 -1.150 3.584 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.889 -0.727 2.372 1.00 0.00 C ATOM 0 H TRP A 56 -2.092 -4.657 4.773 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.876 -2.664 2.822 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.107 -4.721 2.452 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.195 -4.378 3.783 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.779 -3.790 0.090 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.713 -2.340 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.791 -2.297 4.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.799 -0.787 0.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.765 -0.825 4.516 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.755 -0.082 2.388 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.725 -1.866 5.416 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.396 -0.757 6.083 1.00 0.00 C ATOM 1020 C GLN A 57 -3.462 0.440 6.223 1.00 0.00 C ATOM 1021 O GLN A 57 -3.867 1.583 6.014 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.898 -1.192 7.461 1.00 0.00 C ATOM 1023 CG GLN A 57 -6.109 -2.109 7.406 1.00 0.00 C ATOM 1024 CD GLN A 57 -6.945 -2.048 8.669 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -6.426 -2.185 9.778 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -8.247 -1.841 8.509 1.00 0.00 N ATOM 0 H GLN A 57 -3.659 -2.717 5.975 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.248 -0.460 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.091 -1.701 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.150 -0.306 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.728 -1.836 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.777 -3.134 7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.635 -1.733 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.859 -1.790 9.323 1.00 0.00 H new ATOM 1035 N GLU A 58 -2.210 0.169 6.579 1.00 0.00 N ATOM 1036 CA GLU A 58 -1.219 1.225 6.748 1.00 0.00 C ATOM 1037 C GLU A 58 -0.910 1.901 5.415 1.00 0.00 C ATOM 1038 O GLU A 58 -0.859 3.128 5.327 1.00 0.00 O ATOM 1039 CB GLU A 58 0.067 0.656 7.354 1.00 0.00 C ATOM 1040 CG GLU A 58 -0.134 0.016 8.717 1.00 0.00 C ATOM 1041 CD GLU A 58 1.054 -0.823 9.148 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.298 -1.873 8.517 1.00 0.00 O ATOM 1043 OE2 GLU A 58 1.738 -0.430 10.116 1.00 0.00 O ATOM 0 H GLU A 58 -1.858 -0.772 6.756 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.633 1.971 7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.483 -0.085 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.802 1.456 7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.311 0.796 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.026 -0.610 8.693 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.706 1.091 4.382 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.403 1.610 3.054 1.00 0.00 C ATOM 1052 C ILE A 59 -1.501 2.550 2.568 1.00 0.00 C ATOM 1053 O ILE A 59 -1.223 3.637 2.063 1.00 0.00 O ATOM 1054 CB ILE A 59 -0.228 0.472 2.031 1.00 0.00 C ATOM 1055 CG1 ILE A 59 0.987 -0.385 2.392 1.00 0.00 C ATOM 1056 CG2 ILE A 59 -0.085 1.039 0.627 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.124 -1.628 1.542 1.00 0.00 C ATOM 0 H ILE A 59 -0.745 0.073 4.439 1.00 0.00 H new ATOM 0 HA ILE A 59 0.534 2.161 3.137 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.116 -0.160 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.890 0.217 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.917 -0.677 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.038 0.222 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.978 1.611 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.787 1.691 0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.007 -2.187 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.238 -2.251 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.226 -1.343 0.495 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.750 2.125 2.726 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.891 2.930 2.305 1.00 0.00 C ATOM 1071 C ASN A 60 -3.907 4.272 3.030 1.00 0.00 C ATOM 1072 O ASN A 60 -4.223 5.305 2.439 1.00 0.00 O ATOM 1073 CB ASN A 60 -5.197 2.179 2.570 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.365 3.116 2.811 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.892 3.722 1.877 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.774 3.241 4.068 1.00 0.00 N ATOM 0 H ASN A 60 -2.998 1.228 3.143 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.797 3.116 1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.421 1.535 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.070 1.530 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.554 3.859 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.308 2.719 4.810 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.563 4.250 4.313 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.535 5.465 5.119 1.00 0.00 C ATOM 1085 C VAL A 61 -2.403 6.387 4.684 1.00 0.00 C ATOM 1086 O VAL A 61 -2.565 7.606 4.639 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.373 5.142 6.616 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -3.314 6.422 7.435 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.507 4.246 7.093 1.00 0.00 C ATOM 0 H VAL A 61 -3.299 3.404 4.817 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.489 5.969 4.965 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.434 4.606 6.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.199 6.174 8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.465 7.023 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.235 6.987 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.377 4.028 8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.460 4.753 6.941 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.498 3.315 6.527 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.255 5.797 4.363 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.095 6.567 3.932 1.00 0.00 C ATOM 1101 C GLU A 62 -0.439 7.443 2.730 1.00 0.00 C ATOM 1102 O GLU A 62 -0.047 8.607 2.665 1.00 0.00 O ATOM 1103 CB GLU A 62 1.063 5.631 3.579 1.00 0.00 C ATOM 1104 CG GLU A 62 2.246 6.341 2.941 1.00 0.00 C ATOM 1105 CD GLU A 62 2.958 7.270 3.905 1.00 0.00 C ATOM 1106 OE1 GLU A 62 2.986 6.963 5.115 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.488 8.304 3.448 1.00 0.00 O ATOM 0 H GLU A 62 -1.104 4.789 4.394 1.00 0.00 H new ATOM 0 HA GLU A 62 0.207 7.213 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.399 5.125 4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.702 4.860 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.952 5.599 2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.900 6.913 2.080 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.175 6.873 1.782 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.574 7.601 0.584 1.00 0.00 C ATOM 1116 C ALA A 63 -2.498 8.764 0.930 1.00 0.00 C ATOM 1117 O ALA A 63 -2.502 9.791 0.251 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.252 6.662 -0.403 1.00 0.00 C ATOM 0 H ALA A 63 -1.507 5.909 1.820 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.676 8.010 0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.545 7.219 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.560 5.868 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.137 6.226 0.059 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.281 8.596 1.990 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.210 9.631 2.428 1.00 0.00 C ATOM 1126 C LYS A 64 -3.458 10.845 2.965 1.00 0.00 C ATOM 1127 O LYS A 64 -3.769 11.983 2.616 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.148 9.082 3.504 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.194 10.081 3.968 1.00 0.00 C ATOM 1130 CD LYS A 64 -7.454 10.001 3.124 1.00 0.00 C ATOM 1131 CE LYS A 64 -7.374 10.920 1.914 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.711 11.140 1.295 1.00 0.00 N ATOM 0 H LYS A 64 -3.291 7.752 2.562 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.800 9.943 1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.651 8.196 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.556 8.764 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.442 9.891 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.784 11.089 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.607 8.974 2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.318 10.272 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.950 11.879 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.698 10.490 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.614 11.771 0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.105 10.228 0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.349 11.574 1.992 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.467 10.593 3.815 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.671 11.665 4.399 1.00 0.00 C ATOM 1148 C GLN A 65 -1.060 12.544 3.312 1.00 0.00 C ATOM 1149 O GLN A 65 -1.253 13.760 3.302 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.565 11.085 5.282 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.059 10.601 6.636 1.00 0.00 C ATOM 1152 CD GLN A 65 -1.205 11.726 7.641 1.00 0.00 C ATOM 1153 OE1 GLN A 65 -2.311 12.200 7.904 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.086 12.160 8.210 1.00 0.00 N ATOM 0 H GLN A 65 -2.197 9.656 4.114 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.331 12.280 5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.092 10.254 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.202 11.844 5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.021 10.104 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.364 9.858 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.809 11.738 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.122 12.915 8.895 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.324 11.921 2.398 1.00 0.00 N ATOM 1164 CA VAL A 66 0.314 12.646 1.306 1.00 0.00 C ATOM 1165 C VAL A 66 -0.671 13.586 0.620 1.00 0.00 C ATOM 1166 O VAL A 66 -0.303 14.673 0.175 1.00 0.00 O ATOM 1167 CB VAL A 66 0.901 11.682 0.258 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.344 12.444 -0.981 1.00 0.00 C ATOM 1169 CG2 VAL A 66 2.058 10.892 0.851 1.00 0.00 C ATOM 0 H VAL A 66 -0.155 10.915 2.392 1.00 0.00 H new ATOM 0 HA VAL A 66 1.123 13.230 1.745 1.00 0.00 H new ATOM 0 HB VAL A 66 0.124 10.978 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.756 11.746 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.488 12.960 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.106 13.173 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.461 10.216 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.839 11.579 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.704 10.314 1.705 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.927 13.159 0.538 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.969 13.962 -0.092 1.00 0.00 C ATOM 1181 C LYS A 67 -3.039 15.351 0.535 1.00 0.00 C ATOM 1182 O LYS A 67 -3.351 16.332 -0.141 1.00 0.00 O ATOM 1183 CB LYS A 67 -4.325 13.265 0.035 1.00 0.00 C ATOM 1184 CG LYS A 67 -5.373 13.793 -0.930 1.00 0.00 C ATOM 1185 CD LYS A 67 -5.041 13.427 -2.367 1.00 0.00 C ATOM 1186 CE LYS A 67 -6.288 13.403 -3.238 1.00 0.00 C ATOM 1187 NZ LYS A 67 -5.984 12.971 -4.630 1.00 0.00 N ATOM 0 H LYS A 67 -2.248 12.261 0.900 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.721 14.071 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.192 12.197 -0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.690 13.383 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.350 13.387 -0.666 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.443 14.877 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.327 14.145 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.559 12.450 -2.393 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.023 12.728 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.738 14.396 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.859 12.968 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.301 13.630 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.578 12.013 -4.616 1.00 0.00 H new ATOM 1201 N ASP A 68 -2.745 15.427 1.828 1.00 0.00 N ATOM 1202 CA ASP A 68 -2.772 16.697 2.545 1.00 0.00 C ATOM 1203 C ASP A 68 -1.477 17.473 2.325 1.00 0.00 C ATOM 1204 O ASP A 68 -1.500 18.639 1.930 1.00 0.00 O ATOM 1205 CB ASP A 68 -2.991 16.459 4.040 1.00 0.00 C ATOM 1206 CG ASP A 68 -3.696 17.619 4.714 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -4.919 17.768 4.511 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -3.025 18.379 5.444 1.00 0.00 O ATOM 0 H ASP A 68 -2.485 14.624 2.401 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.600 17.289 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.578 15.551 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.028 16.293 4.523 1.00 0.00 H new ATOM 1213 N ILE A 69 -0.350 16.818 2.584 1.00 0.00 N ATOM 1214 CA ILE A 69 0.954 17.447 2.414 1.00 0.00 C ATOM 1215 C ILE A 69 1.135 17.961 0.990 1.00 0.00 C ATOM 1216 O ILE A 69 2.054 18.730 0.709 1.00 0.00 O ATOM 1217 CB ILE A 69 2.098 16.469 2.744 1.00 0.00 C ATOM 1218 CG1 ILE A 69 2.464 15.643 1.509 1.00 0.00 C ATOM 1219 CG2 ILE A 69 1.701 15.561 3.898 1.00 0.00 C ATOM 1220 CD1 ILE A 69 3.576 14.648 1.756 1.00 0.00 C ATOM 0 H ILE A 69 -0.314 15.853 2.912 1.00 0.00 H new ATOM 0 HA ILE A 69 0.992 18.286 3.108 1.00 0.00 H new ATOM 0 HB ILE A 69 2.974 17.044 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.579 15.108 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.762 16.317 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.519 14.876 4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.485 16.165 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.814 14.990 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.783 14.098 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.475 15.178 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.273 13.950 2.537 1.00 0.00 H new ATOM 1232 N MET A 70 0.251 17.533 0.095 1.00 0.00 N ATOM 1233 CA MET A 70 0.312 17.953 -1.301 1.00 0.00 C ATOM 1234 C MET A 70 -0.753 19.003 -1.599 1.00 0.00 C ATOM 1235 O MET A 70 -1.074 19.266 -2.758 1.00 0.00 O ATOM 1236 CB MET A 70 0.130 16.748 -2.226 1.00 0.00 C ATOM 1237 CG MET A 70 -1.306 16.255 -2.307 1.00 0.00 C ATOM 1238 SD MET A 70 -1.646 15.355 -3.832 1.00 0.00 S ATOM 1239 CE MET A 70 -2.128 16.697 -4.917 1.00 0.00 C ATOM 0 H MET A 70 -0.516 16.896 0.311 1.00 0.00 H new ATOM 0 HA MET A 70 1.292 18.395 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.471 17.014 -3.227 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.766 15.934 -1.878 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.513 15.608 -1.454 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.983 17.106 -2.233 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.370 16.299 -5.903 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.002 17.202 -4.505 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.306 17.407 -5.004 1.00 0.00 H new