USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 480 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 70 GLN : amide:sc= -1.06! C(o=-7.4!,f=-8.4!) USER MOD Set 1.2: A 74 GLN : amide:sc= -6.34! C(o=-7.4!,f=-12!) USER MOD Single : A 17 MET CE :methyl -141:sc= -0.179 (180deg=-1.18!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 150:sc= -0.699 USER MOD Single : A 29 THR OG1 : rot -179:sc= -0.563 USER MOD Single : A 31 GLN : amide:sc= -2.25 K(o=-2.2,f=-1.3) USER MOD Single : A 39 TYR OH : rot -15:sc= -4.85! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 143:sc= -6.33! (180deg=-9.85!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -2.668 13.694 9.156 1.00 0.00 N ATOM 108 CA ASP A 11 -1.928 13.305 7.968 1.00 0.00 C ATOM 109 C ASP A 11 -0.918 14.400 7.619 1.00 0.00 C ATOM 110 O ASP A 11 -1.021 15.523 8.110 1.00 0.00 O ATOM 111 CB ASP A 11 -2.864 13.128 6.770 1.00 0.00 C ATOM 112 CG ASP A 11 -3.987 14.162 6.669 1.00 0.00 C ATOM 113 OD1 ASP A 11 -3.751 15.303 7.121 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.057 13.788 6.140 1.00 0.00 O ATOM 0 HA ASP A 11 -1.426 12.360 8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.271 13.167 5.856 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.309 12.134 6.819 1.00 0.00 H new ATOM 119 N ASP A 12 0.036 14.034 6.776 1.00 0.00 N ATOM 120 CA ASP A 12 1.064 14.971 6.357 1.00 0.00 C ATOM 121 C ASP A 12 1.000 15.148 4.839 1.00 0.00 C ATOM 122 O ASP A 12 0.119 14.594 4.183 1.00 0.00 O ATOM 123 CB ASP A 12 2.459 14.455 6.715 1.00 0.00 C ATOM 124 CG ASP A 12 3.104 15.123 7.932 1.00 0.00 C ATOM 125 OD1 ASP A 12 2.748 14.715 9.058 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.939 16.026 7.707 1.00 0.00 O ATOM 0 H ASP A 12 0.119 13.101 6.372 1.00 0.00 H new ATOM 0 HA ASP A 12 0.887 15.916 6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.397 13.382 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.113 14.594 5.854 1.00 0.00 H new ATOM 131 N GLU A 13 1.945 15.921 4.324 1.00 0.00 N ATOM 132 CA GLU A 13 2.007 16.176 2.895 1.00 0.00 C ATOM 133 C GLU A 13 2.376 14.896 2.143 1.00 0.00 C ATOM 134 O GLU A 13 2.007 14.725 0.982 1.00 0.00 O ATOM 135 CB GLU A 13 2.995 17.301 2.581 1.00 0.00 C ATOM 136 CG GLU A 13 2.338 18.671 2.755 1.00 0.00 C ATOM 137 CD GLU A 13 3.331 19.797 2.457 1.00 0.00 C ATOM 138 OE1 GLU A 13 4.470 19.698 2.964 1.00 0.00 O ATOM 139 OE2 GLU A 13 2.929 20.731 1.729 1.00 0.00 O ATOM 0 H GLU A 13 2.674 16.379 4.871 1.00 0.00 H new ATOM 0 HA GLU A 13 1.021 16.499 2.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.861 17.223 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.359 17.195 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.479 18.753 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.963 18.772 3.774 1.00 0.00 H new ATOM 146 N VAL A 14 3.101 14.029 2.835 1.00 0.00 N ATOM 147 CA VAL A 14 3.524 12.769 2.246 1.00 0.00 C ATOM 148 C VAL A 14 2.311 11.852 2.085 1.00 0.00 C ATOM 149 O VAL A 14 2.145 11.211 1.049 1.00 0.00 O ATOM 150 CB VAL A 14 4.637 12.145 3.091 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.104 11.688 4.450 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.307 10.989 2.347 1.00 0.00 C ATOM 0 H VAL A 14 3.406 14.174 3.797 1.00 0.00 H new ATOM 0 HA VAL A 14 3.940 12.933 1.252 1.00 0.00 H new ATOM 0 HB VAL A 14 5.392 12.911 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.915 11.248 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.696 12.544 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.320 10.945 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.094 10.563 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.566 10.222 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.739 11.357 1.417 1.00 0.00 H new ATOM 162 N VAL A 15 1.492 11.820 3.127 1.00 0.00 N ATOM 163 CA VAL A 15 0.298 10.992 3.114 1.00 0.00 C ATOM 164 C VAL A 15 -0.601 11.419 1.952 1.00 0.00 C ATOM 165 O VAL A 15 -0.920 10.612 1.080 1.00 0.00 O ATOM 166 CB VAL A 15 -0.405 11.066 4.472 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.862 10.614 4.360 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.345 10.245 5.522 1.00 0.00 C ATOM 0 H VAL A 15 1.632 12.354 3.985 1.00 0.00 H new ATOM 0 HA VAL A 15 0.560 9.946 2.955 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.402 12.107 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.338 10.676 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.390 11.259 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.897 9.584 4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.175 10.314 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.387 9.202 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.358 10.632 5.631 1.00 0.00 H new ATOM 178 N ALA A 16 -0.986 12.686 1.978 1.00 0.00 N ATOM 179 CA ALA A 16 -1.842 13.231 0.937 1.00 0.00 C ATOM 180 C ALA A 16 -1.389 12.693 -0.422 1.00 0.00 C ATOM 181 O ALA A 16 -2.210 12.475 -1.311 1.00 0.00 O ATOM 182 CB ALA A 16 -1.813 14.759 0.999 1.00 0.00 C ATOM 0 H ALA A 16 -0.721 13.352 2.704 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.876 12.919 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.455 15.167 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.171 15.090 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.792 15.110 0.849 1.00 0.00 H new ATOM 188 N MET A 17 -0.085 12.494 -0.539 1.00 0.00 N ATOM 189 CA MET A 17 0.486 11.986 -1.775 1.00 0.00 C ATOM 190 C MET A 17 0.187 10.496 -1.946 1.00 0.00 C ATOM 191 O MET A 17 -0.379 10.085 -2.959 1.00 0.00 O ATOM 192 CB MET A 17 2.002 12.204 -1.765 1.00 0.00 C ATOM 193 CG MET A 17 2.478 12.800 -3.091 1.00 0.00 C ATOM 194 SD MET A 17 4.237 13.095 -3.030 1.00 0.00 S ATOM 195 CE MET A 17 4.299 14.337 -1.749 1.00 0.00 C ATOM 0 H MET A 17 0.593 12.675 0.201 1.00 0.00 H new ATOM 0 HA MET A 17 0.037 12.526 -2.609 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.272 12.870 -0.945 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.508 11.256 -1.586 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.243 12.120 -3.910 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.951 13.733 -3.290 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.044 15.090 -2.008 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.322 14.811 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.569 13.870 -0.802 1.00 0.00 H new ATOM 205 N ILE A 18 0.576 9.727 -0.940 1.00 0.00 N ATOM 206 CA ILE A 18 0.356 8.291 -0.966 1.00 0.00 C ATOM 207 C ILE A 18 -1.131 8.012 -1.191 1.00 0.00 C ATOM 208 O ILE A 18 -1.493 7.196 -2.036 1.00 0.00 O ATOM 209 CB ILE A 18 0.921 7.639 0.297 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.451 7.671 0.294 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.379 6.219 0.472 1.00 0.00 C ATOM 212 CD1 ILE A 18 2.992 8.163 1.638 1.00 0.00 C ATOM 0 H ILE A 18 1.043 10.072 -0.101 1.00 0.00 H new ATOM 0 HA ILE A 18 0.895 7.838 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 18 0.588 8.219 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.839 6.674 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.803 8.324 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.797 5.779 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.708 6.252 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.661 5.613 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.082 8.176 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.622 9.170 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.658 7.494 2.431 1.00 0.00 H new ATOM 224 N LYS A 19 -1.954 8.705 -0.417 1.00 0.00 N ATOM 225 CA LYS A 19 -3.394 8.542 -0.520 1.00 0.00 C ATOM 226 C LYS A 19 -3.788 8.448 -1.995 1.00 0.00 C ATOM 227 O LYS A 19 -4.372 7.454 -2.424 1.00 0.00 O ATOM 228 CB LYS A 19 -4.115 9.657 0.239 1.00 0.00 C ATOM 229 CG LYS A 19 -4.180 9.349 1.736 1.00 0.00 C ATOM 230 CD LYS A 19 -5.625 9.131 2.189 1.00 0.00 C ATOM 231 CE LYS A 19 -5.702 8.057 3.276 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.063 7.479 3.338 1.00 0.00 N ATOM 0 H LYS A 19 -1.651 9.381 0.284 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.707 7.612 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.597 10.603 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.124 9.776 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.589 8.460 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.739 10.171 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.036 10.067 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.237 8.835 1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.976 7.271 3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.440 8.489 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.098 6.752 4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.749 8.229 3.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.300 7.049 2.421 1.00 0.00 H new ATOM 246 N GLU A 20 -3.452 9.497 -2.733 1.00 0.00 N ATOM 247 CA GLU A 20 -3.763 9.545 -4.151 1.00 0.00 C ATOM 248 C GLU A 20 -3.133 8.352 -4.874 1.00 0.00 C ATOM 249 O GLU A 20 -3.835 7.560 -5.500 1.00 0.00 O ATOM 250 CB GLU A 20 -3.302 10.866 -4.769 1.00 0.00 C ATOM 251 CG GLU A 20 -4.461 11.578 -5.470 1.00 0.00 C ATOM 252 CD GLU A 20 -3.973 12.339 -6.703 1.00 0.00 C ATOM 253 OE1 GLU A 20 -3.871 11.689 -7.767 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.713 13.552 -6.556 1.00 0.00 O ATOM 0 H GLU A 20 -2.967 10.320 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.845 9.485 -4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.891 11.511 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.501 10.677 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.216 10.849 -5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.939 12.270 -4.777 1.00 0.00 H new ATOM 261 N LEU A 21 -1.816 8.262 -4.763 1.00 0.00 N ATOM 262 CA LEU A 21 -1.083 7.180 -5.397 1.00 0.00 C ATOM 263 C LEU A 21 -1.761 5.848 -5.066 1.00 0.00 C ATOM 264 O LEU A 21 -1.583 4.863 -5.780 1.00 0.00 O ATOM 265 CB LEU A 21 0.395 7.232 -5.007 1.00 0.00 C ATOM 266 CG LEU A 21 1.396 7.185 -6.162 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.834 7.189 -5.642 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.122 5.990 -7.077 1.00 0.00 C ATOM 0 H LEU A 21 -1.237 8.921 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.105 7.289 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.568 8.146 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.603 6.397 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 21 1.267 8.086 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.525 7.155 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.010 8.097 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.993 6.318 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.848 5.980 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.206 5.066 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.116 6.071 -7.490 1.00 0.00 H new ATOM 280 N LEU A 22 -2.524 5.863 -3.982 1.00 0.00 N ATOM 281 CA LEU A 22 -3.228 4.669 -3.549 1.00 0.00 C ATOM 282 C LEU A 22 -4.598 4.613 -4.229 1.00 0.00 C ATOM 283 O LEU A 22 -5.074 3.538 -4.588 1.00 0.00 O ATOM 284 CB LEU A 22 -3.299 4.614 -2.021 1.00 0.00 C ATOM 285 CG LEU A 22 -2.103 3.966 -1.318 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.445 2.551 -0.847 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.863 3.988 -2.213 1.00 0.00 C ATOM 0 H LEU A 22 -2.669 6.682 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.684 3.775 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.409 5.631 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.200 4.070 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.869 4.553 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.579 2.113 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.281 2.592 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.720 1.938 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.028 3.522 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.068 3.438 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.608 5.019 -2.456 1.00 0.00 H new ATOM 299 N ASP A 23 -5.192 5.788 -4.387 1.00 0.00 N ATOM 300 CA ASP A 23 -6.497 5.887 -5.018 1.00 0.00 C ATOM 301 C ASP A 23 -6.331 5.814 -6.537 1.00 0.00 C ATOM 302 O ASP A 23 -7.028 5.051 -7.205 1.00 0.00 O ATOM 303 CB ASP A 23 -7.173 7.217 -4.680 1.00 0.00 C ATOM 304 CG ASP A 23 -8.156 7.164 -3.508 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.429 6.035 -3.048 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.613 8.254 -3.102 1.00 0.00 O ATOM 0 H ASP A 23 -4.793 6.678 -4.089 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.112 5.066 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.401 7.953 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.703 7.573 -5.563 1.00 0.00 H new ATOM 311 N THR A 24 -5.404 6.617 -7.038 1.00 0.00 N ATOM 312 CA THR A 24 -5.138 6.653 -8.466 1.00 0.00 C ATOM 313 C THR A 24 -5.535 5.325 -9.116 1.00 0.00 C ATOM 314 O THR A 24 -6.675 5.159 -9.549 1.00 0.00 O ATOM 315 CB THR A 24 -3.663 7.008 -8.663 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.988 6.260 -7.656 1.00 0.00 O ATOM 317 CG2 THR A 24 -3.360 8.466 -8.311 1.00 0.00 C ATOM 0 H THR A 24 -4.828 7.248 -6.481 1.00 0.00 H new ATOM 0 HA THR A 24 -5.740 7.415 -8.961 1.00 0.00 H new ATOM 0 HB THR A 24 -3.379 6.818 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.088 6.031 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.300 8.666 -8.468 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.952 9.124 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.612 8.648 -7.266 1.00 0.00 H new ATOM 325 N ARG A 25 -4.573 4.415 -9.165 1.00 0.00 N ATOM 326 CA ARG A 25 -4.808 3.109 -9.754 1.00 0.00 C ATOM 327 C ARG A 25 -4.065 2.029 -8.965 1.00 0.00 C ATOM 328 O ARG A 25 -3.414 1.165 -9.550 1.00 0.00 O ATOM 329 CB ARG A 25 -4.348 3.072 -11.213 1.00 0.00 C ATOM 330 CG ARG A 25 -5.447 3.582 -12.148 1.00 0.00 C ATOM 331 CD ARG A 25 -5.433 2.821 -13.475 1.00 0.00 C ATOM 332 NE ARG A 25 -6.787 2.826 -14.075 1.00 0.00 N ATOM 333 CZ ARG A 25 -7.157 2.048 -15.100 1.00 0.00 C ATOM 334 NH1 ARG A 25 -6.278 1.196 -15.647 1.00 0.00 N ATOM 335 NH2 ARG A 25 -8.406 2.120 -15.580 1.00 0.00 N ATOM 0 H ARG A 25 -3.629 4.557 -8.806 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.880 2.917 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.453 3.682 -11.331 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.077 2.052 -11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.419 3.467 -11.669 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.307 4.647 -12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.721 3.281 -14.160 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.102 1.795 -13.312 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.481 3.462 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.327 1.140 -15.282 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.560 0.603 -16.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.075 2.768 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.687 1.527 -16.361 1.00 0.00 H new ATOM 349 N ILE A 26 -4.190 2.113 -7.648 1.00 0.00 N ATOM 350 CA ILE A 26 -3.539 1.153 -6.773 1.00 0.00 C ATOM 351 C ILE A 26 -4.601 0.381 -5.990 1.00 0.00 C ATOM 352 O ILE A 26 -4.691 -0.841 -6.096 1.00 0.00 O ATOM 353 CB ILE A 26 -2.507 1.852 -5.886 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.239 2.185 -6.676 1.00 0.00 C ATOM 355 CG2 ILE A 26 -2.202 1.019 -4.639 1.00 0.00 C ATOM 356 CD1 ILE A 26 -0.079 2.520 -5.737 1.00 0.00 C ATOM 0 H ILE A 26 -4.732 2.831 -7.167 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.980 0.422 -7.357 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.933 2.797 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.967 1.339 -7.308 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.430 3.029 -7.339 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.466 1.538 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.117 0.876 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.806 0.049 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.809 2.753 -6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.344 3.381 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.126 1.665 -5.093 1.00 0.00 H new ATOM 368 N ARG A 27 -5.380 1.126 -5.218 1.00 0.00 N ATOM 369 CA ARG A 27 -6.433 0.527 -4.417 1.00 0.00 C ATOM 370 C ARG A 27 -7.502 -0.092 -5.321 1.00 0.00 C ATOM 371 O ARG A 27 -7.893 -1.242 -5.127 1.00 0.00 O ATOM 372 CB ARG A 27 -7.089 1.565 -3.503 1.00 0.00 C ATOM 373 CG ARG A 27 -8.602 1.358 -3.435 1.00 0.00 C ATOM 374 CD ARG A 27 -9.254 2.377 -2.498 1.00 0.00 C ATOM 375 NE ARG A 27 -10.215 1.697 -1.600 1.00 0.00 N ATOM 376 CZ ARG A 27 -11.135 2.335 -0.865 1.00 0.00 C ATOM 377 NH1 ARG A 27 -11.227 3.671 -0.917 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.965 1.636 -0.078 1.00 0.00 N ATOM 0 H ARG A 27 -5.302 2.139 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.979 -0.249 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.663 1.494 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.872 2.568 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.030 1.450 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.819 0.348 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.489 2.883 -1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.767 3.143 -3.080 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.174 0.680 -1.537 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.596 4.203 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.928 4.156 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.896 0.619 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.666 2.121 0.482 1.00 0.00 H new ATOM 392 N PRO A 28 -7.954 0.718 -6.315 1.00 0.00 N ATOM 393 CA PRO A 28 -8.968 0.261 -7.250 1.00 0.00 C ATOM 394 C PRO A 28 -8.376 -0.715 -8.268 1.00 0.00 C ATOM 395 O PRO A 28 -9.112 -1.385 -8.991 1.00 0.00 O ATOM 396 CB PRO A 28 -9.512 1.528 -7.889 1.00 0.00 C ATOM 397 CG PRO A 28 -8.469 2.605 -7.635 1.00 0.00 C ATOM 398 CD PRO A 28 -7.512 2.085 -6.575 1.00 0.00 C ATOM 0 HA PRO A 28 -9.767 -0.299 -6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.676 1.387 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.472 1.804 -7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.931 2.840 -8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.945 3.527 -7.300 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.481 2.107 -6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.553 2.693 -5.671 1.00 0.00 H new ATOM 406 N THR A 29 -7.052 -0.765 -8.293 1.00 0.00 N ATOM 407 CA THR A 29 -6.353 -1.649 -9.209 1.00 0.00 C ATOM 408 C THR A 29 -6.257 -3.058 -8.623 1.00 0.00 C ATOM 409 O THR A 29 -6.440 -4.044 -9.335 1.00 0.00 O ATOM 410 CB THR A 29 -4.991 -1.026 -9.520 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.279 -0.025 -10.493 1.00 0.00 O ATOM 412 CG2 THR A 29 -4.056 -1.994 -10.248 1.00 0.00 C ATOM 0 H THR A 29 -6.445 -0.207 -7.693 1.00 0.00 H new ATOM 0 HA THR A 29 -6.899 -1.758 -10.146 1.00 0.00 H new ATOM 0 HB THR A 29 -4.523 -0.698 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.447 0.416 -10.765 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.104 -1.501 -10.445 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.888 -2.874 -9.627 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.509 -2.297 -11.192 1.00 0.00 H new ATOM 420 N VAL A 30 -5.971 -3.109 -7.330 1.00 0.00 N ATOM 421 CA VAL A 30 -5.848 -4.381 -6.640 1.00 0.00 C ATOM 422 C VAL A 30 -7.201 -5.097 -6.656 1.00 0.00 C ATOM 423 O VAL A 30 -7.260 -6.315 -6.825 1.00 0.00 O ATOM 424 CB VAL A 30 -5.306 -4.161 -5.226 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.295 -5.467 -4.433 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.913 -3.532 -5.266 1.00 0.00 C ATOM 0 H VAL A 30 -5.821 -2.289 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.132 -5.024 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.973 -3.466 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.905 -5.282 -3.432 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.310 -5.857 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.662 -6.195 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.550 -3.386 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.231 -4.191 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.963 -2.569 -5.775 1.00 0.00 H new ATOM 436 N GLN A 31 -8.252 -4.312 -6.478 1.00 0.00 N ATOM 437 CA GLN A 31 -9.599 -4.857 -6.471 1.00 0.00 C ATOM 438 C GLN A 31 -9.789 -5.823 -7.641 1.00 0.00 C ATOM 439 O GLN A 31 -10.279 -6.936 -7.460 1.00 0.00 O ATOM 440 CB GLN A 31 -10.642 -3.738 -6.510 1.00 0.00 C ATOM 441 CG GLN A 31 -10.607 -2.910 -5.223 1.00 0.00 C ATOM 442 CD GLN A 31 -11.443 -1.637 -5.367 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.501 -1.623 -5.975 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.911 -0.570 -4.777 1.00 0.00 N ATOM 0 H GLN A 31 -8.199 -3.303 -6.338 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.740 -5.411 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.455 -3.092 -7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.635 -4.166 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.986 -3.506 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.577 -2.647 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.022 -0.650 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.392 0.328 -4.818 1.00 0.00 H new ATOM 453 N GLU A 32 -9.389 -5.363 -8.818 1.00 0.00 N ATOM 454 CA GLU A 32 -9.507 -6.173 -10.018 1.00 0.00 C ATOM 455 C GLU A 32 -8.870 -7.546 -9.797 1.00 0.00 C ATOM 456 O GLU A 32 -9.384 -8.558 -10.273 1.00 0.00 O ATOM 457 CB GLU A 32 -8.882 -5.465 -11.221 1.00 0.00 C ATOM 458 CG GLU A 32 -9.959 -4.849 -12.117 1.00 0.00 C ATOM 459 CD GLU A 32 -9.360 -4.354 -13.434 1.00 0.00 C ATOM 460 OE1 GLU A 32 -8.904 -3.190 -13.448 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.370 -5.150 -14.398 1.00 0.00 O ATOM 0 H GLU A 32 -8.983 -4.439 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.566 -6.317 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.202 -4.686 -10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.288 -6.175 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.734 -5.588 -12.321 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.439 -4.020 -11.597 1.00 0.00 H new ATOM 468 N ASP A 33 -7.759 -7.538 -9.075 1.00 0.00 N ATOM 469 CA ASP A 33 -7.045 -8.770 -8.785 1.00 0.00 C ATOM 470 C ASP A 33 -7.401 -9.239 -7.373 1.00 0.00 C ATOM 471 O ASP A 33 -6.551 -9.772 -6.660 1.00 0.00 O ATOM 472 CB ASP A 33 -5.531 -8.558 -8.846 1.00 0.00 C ATOM 473 CG ASP A 33 -4.743 -9.707 -9.477 1.00 0.00 C ATOM 474 OD1 ASP A 33 -5.290 -10.830 -9.493 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.609 -9.436 -9.929 1.00 0.00 O ATOM 0 H ASP A 33 -7.336 -6.697 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.334 -9.511 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.329 -7.647 -9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.161 -8.396 -7.834 1.00 0.00 H new ATOM 480 N GLY A 34 -8.657 -9.027 -7.011 1.00 0.00 N ATOM 481 CA GLY A 34 -9.135 -9.421 -5.697 1.00 0.00 C ATOM 482 C GLY A 34 -8.159 -8.981 -4.603 1.00 0.00 C ATOM 483 O GLY A 34 -7.178 -9.670 -4.328 1.00 0.00 O ATOM 0 H GLY A 34 -9.359 -8.587 -7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.114 -8.979 -5.515 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.262 -10.503 -5.662 1.00 0.00 H new ATOM 487 N GLY A 35 -8.463 -7.836 -4.010 1.00 0.00 N ATOM 488 CA GLY A 35 -7.625 -7.296 -2.954 1.00 0.00 C ATOM 489 C GLY A 35 -8.031 -5.861 -2.611 1.00 0.00 C ATOM 490 O GLY A 35 -8.340 -5.070 -3.501 1.00 0.00 O ATOM 0 H GLY A 35 -9.278 -7.268 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.705 -7.922 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.581 -7.317 -3.267 1.00 0.00 H new ATOM 494 N ASP A 36 -8.017 -5.568 -1.319 1.00 0.00 N ATOM 495 CA ASP A 36 -8.380 -4.242 -0.848 1.00 0.00 C ATOM 496 C ASP A 36 -7.212 -3.649 -0.057 1.00 0.00 C ATOM 497 O ASP A 36 -6.947 -4.064 1.071 1.00 0.00 O ATOM 498 CB ASP A 36 -9.597 -4.301 0.079 1.00 0.00 C ATOM 499 CG ASP A 36 -10.768 -3.409 -0.335 1.00 0.00 C ATOM 500 OD1 ASP A 36 -10.540 -2.539 -1.203 1.00 0.00 O ATOM 501 OD2 ASP A 36 -11.866 -3.618 0.225 1.00 0.00 O ATOM 0 H ASP A 36 -7.760 -6.226 -0.583 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.618 -3.629 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.946 -5.332 0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.283 -4.020 1.084 1.00 0.00 H new ATOM 506 N VAL A 37 -6.546 -2.689 -0.679 1.00 0.00 N ATOM 507 CA VAL A 37 -5.413 -2.034 -0.047 1.00 0.00 C ATOM 508 C VAL A 37 -5.911 -0.847 0.780 1.00 0.00 C ATOM 509 O VAL A 37 -6.670 -0.017 0.286 1.00 0.00 O ATOM 510 CB VAL A 37 -4.382 -1.634 -1.106 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.740 -0.286 -1.737 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.972 -1.607 -0.515 1.00 0.00 C ATOM 0 H VAL A 37 -6.769 -2.348 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.910 -2.718 0.636 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.400 -2.387 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.992 -0.025 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.719 -0.355 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.764 0.483 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.259 -1.320 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.933 -0.885 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.717 -2.597 -0.136 1.00 0.00 H new ATOM 522 N ILE A 38 -5.462 -0.806 2.026 1.00 0.00 N ATOM 523 CA ILE A 38 -5.853 0.265 2.928 1.00 0.00 C ATOM 524 C ILE A 38 -4.631 0.724 3.725 1.00 0.00 C ATOM 525 O ILE A 38 -4.182 0.030 4.635 1.00 0.00 O ATOM 526 CB ILE A 38 -7.030 -0.173 3.802 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.936 -1.151 3.052 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.803 1.038 4.327 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.438 -2.589 3.206 1.00 0.00 C ATOM 0 H ILE A 38 -4.831 -1.497 2.432 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.209 1.128 2.365 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.634 -0.702 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.955 -1.073 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.968 -0.885 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.634 0.699 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.139 1.663 4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.188 1.616 3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.100 -3.263 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.428 -2.670 2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.430 -2.860 4.262 1.00 0.00 H new ATOM 541 N TYR A 39 -4.128 1.894 3.356 1.00 0.00 N ATOM 542 CA TYR A 39 -2.967 2.454 4.026 1.00 0.00 C ATOM 543 C TYR A 39 -3.322 2.918 5.440 1.00 0.00 C ATOM 544 O TYR A 39 -3.963 3.954 5.616 1.00 0.00 O ATOM 545 CB TYR A 39 -2.546 3.668 3.195 1.00 0.00 C ATOM 546 CG TYR A 39 -1.835 4.757 4.001 1.00 0.00 C ATOM 547 CD1 TYR A 39 -1.068 4.415 5.095 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.959 6.081 3.631 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.397 5.440 5.854 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.289 7.105 4.389 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.542 6.735 5.463 1.00 0.00 C ATOM 552 OH TYR A 39 0.091 7.702 6.179 1.00 0.00 O ATOM 0 H TYR A 39 -4.504 2.469 2.602 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.175 1.709 4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.887 3.336 2.393 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.430 4.098 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.970 3.379 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.558 6.348 2.773 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.207 5.186 6.713 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.378 8.145 4.111 1.00 0.00 H new ATOM 0 HH TYR A 39 0.383 7.334 7.039 1.00 0.00 H new ATOM 562 N ARG A 40 -2.889 2.129 6.413 1.00 0.00 N ATOM 563 CA ARG A 40 -3.153 2.446 7.807 1.00 0.00 C ATOM 564 C ARG A 40 -1.851 2.433 8.610 1.00 0.00 C ATOM 565 O ARG A 40 -1.440 1.389 9.116 1.00 0.00 O ATOM 566 CB ARG A 40 -4.134 1.446 8.422 1.00 0.00 C ATOM 567 CG ARG A 40 -5.289 1.151 7.464 1.00 0.00 C ATOM 568 CD ARG A 40 -6.320 2.282 7.483 1.00 0.00 C ATOM 569 NE ARG A 40 -7.655 1.745 7.829 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.081 1.544 9.083 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.280 1.834 10.118 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.309 1.053 9.303 1.00 0.00 N ATOM 0 H ARG A 40 -2.357 1.271 6.264 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.596 3.441 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.612 0.520 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.526 1.844 9.358 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.903 1.023 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.768 0.213 7.744 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.026 3.041 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.356 2.768 6.508 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.290 1.514 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.346 2.208 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.605 1.681 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.919 0.833 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.634 0.900 10.258 1.00 0.00 H new ATOM 586 N GLY A 41 -1.237 3.603 8.701 1.00 0.00 N ATOM 587 CA GLY A 41 0.011 3.739 9.434 1.00 0.00 C ATOM 588 C GLY A 41 1.198 3.861 8.476 1.00 0.00 C ATOM 589 O GLY A 41 1.295 3.114 7.504 1.00 0.00 O ATOM 0 H GLY A 41 -1.580 4.466 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.034 4.618 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.151 2.876 10.084 1.00 0.00 H new ATOM 593 N PHE A 42 2.071 4.807 8.786 1.00 0.00 N ATOM 594 CA PHE A 42 3.248 5.036 7.966 1.00 0.00 C ATOM 595 C PHE A 42 4.455 5.409 8.829 1.00 0.00 C ATOM 596 O PHE A 42 4.455 6.448 9.487 1.00 0.00 O ATOM 597 CB PHE A 42 2.924 6.206 7.033 1.00 0.00 C ATOM 598 CG PHE A 42 4.032 6.526 6.028 1.00 0.00 C ATOM 599 CD1 PHE A 42 5.222 7.021 6.461 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.826 6.316 4.700 1.00 0.00 C ATOM 601 CE1 PHE A 42 6.250 7.318 5.528 1.00 0.00 C ATOM 602 CE2 PHE A 42 4.854 6.613 3.766 1.00 0.00 C ATOM 603 CZ PHE A 42 6.044 7.109 4.200 1.00 0.00 C ATOM 0 H PHE A 42 1.987 5.424 9.594 1.00 0.00 H new ATOM 0 HA PHE A 42 3.496 4.130 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.008 5.980 6.488 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.726 7.093 7.635 1.00 0.00 H new ATOM 0 HD1 PHE A 42 5.385 7.188 7.515 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.881 5.923 4.356 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.196 7.710 5.873 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.691 6.445 2.712 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.825 7.337 3.490 1.00 0.00 H new ATOM 613 N GLU A 43 5.455 4.540 8.799 1.00 0.00 N ATOM 614 CA GLU A 43 6.665 4.765 9.571 1.00 0.00 C ATOM 615 C GLU A 43 7.881 4.204 8.830 1.00 0.00 C ATOM 616 O GLU A 43 7.756 3.252 8.059 1.00 0.00 O ATOM 617 CB GLU A 43 6.545 4.154 10.968 1.00 0.00 C ATOM 618 CG GLU A 43 6.107 5.204 11.991 1.00 0.00 C ATOM 619 CD GLU A 43 5.057 4.635 12.947 1.00 0.00 C ATOM 620 OE1 GLU A 43 5.427 3.724 13.719 1.00 0.00 O ATOM 621 OE2 GLU A 43 3.908 5.123 12.884 1.00 0.00 O ATOM 0 H GLU A 43 5.452 3.679 8.252 1.00 0.00 H new ATOM 0 HA GLU A 43 6.801 5.840 9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.825 3.336 10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.503 3.728 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.972 5.547 12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.700 6.073 11.474 1.00 0.00 H new ATOM 628 N ASP A 44 9.026 4.816 9.088 1.00 0.00 N ATOM 629 CA ASP A 44 10.262 4.390 8.455 1.00 0.00 C ATOM 630 C ASP A 44 10.024 4.202 6.955 1.00 0.00 C ATOM 631 O ASP A 44 10.737 3.444 6.299 1.00 0.00 O ATOM 632 CB ASP A 44 10.742 3.054 9.028 1.00 0.00 C ATOM 633 CG ASP A 44 12.138 3.084 9.655 1.00 0.00 C ATOM 634 OD1 ASP A 44 13.079 3.464 8.926 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.230 2.728 10.849 1.00 0.00 O ATOM 0 H ASP A 44 9.124 5.605 9.728 1.00 0.00 H new ATOM 0 HA ASP A 44 11.016 5.155 8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.028 2.722 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.734 2.310 8.231 1.00 0.00 H new ATOM 640 N GLY A 45 9.018 4.905 6.456 1.00 0.00 N ATOM 641 CA GLY A 45 8.676 4.825 5.046 1.00 0.00 C ATOM 642 C GLY A 45 7.751 3.637 4.772 1.00 0.00 C ATOM 643 O GLY A 45 6.814 3.745 3.983 1.00 0.00 O ATOM 0 H GLY A 45 8.429 5.533 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.189 5.749 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.585 4.727 4.453 1.00 0.00 H new ATOM 647 N ILE A 46 8.046 2.532 5.440 1.00 0.00 N ATOM 648 CA ILE A 46 7.253 1.326 5.279 1.00 0.00 C ATOM 649 C ILE A 46 5.782 1.648 5.550 1.00 0.00 C ATOM 650 O ILE A 46 5.364 1.733 6.704 1.00 0.00 O ATOM 651 CB ILE A 46 7.807 0.199 6.153 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.237 -0.161 5.743 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.881 -1.019 6.130 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.239 -1.181 4.602 1.00 0.00 C ATOM 0 H ILE A 46 8.824 2.447 6.094 1.00 0.00 H new ATOM 0 HA ILE A 46 7.317 0.963 4.253 1.00 0.00 H new ATOM 0 HB ILE A 46 7.847 0.554 7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.768 0.739 5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.774 -0.568 6.600 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.298 -1.805 6.759 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.898 -0.736 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.786 -1.385 5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.267 -1.420 4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.729 -2.089 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.723 -0.762 3.738 1.00 0.00 H new ATOM 666 N VAL A 47 5.037 1.817 4.468 1.00 0.00 N ATOM 667 CA VAL A 47 3.622 2.127 4.575 1.00 0.00 C ATOM 668 C VAL A 47 2.854 0.862 4.964 1.00 0.00 C ATOM 669 O VAL A 47 3.109 -0.213 4.424 1.00 0.00 O ATOM 670 CB VAL A 47 3.123 2.752 3.270 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.627 3.064 3.348 1.00 0.00 C ATOM 672 CG2 VAL A 47 3.926 4.005 2.920 1.00 0.00 C ATOM 0 H VAL A 47 5.387 1.745 3.513 1.00 0.00 H new ATOM 0 HA VAL A 47 3.451 2.864 5.359 1.00 0.00 H new ATOM 0 HB VAL A 47 3.272 2.025 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.298 3.507 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.072 2.143 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.443 3.764 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.551 4.429 1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.823 4.738 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.977 3.742 2.802 1.00 0.00 H new ATOM 682 N ARG A 48 1.929 1.032 5.897 1.00 0.00 N ATOM 683 CA ARG A 48 1.122 -0.083 6.363 1.00 0.00 C ATOM 684 C ARG A 48 -0.135 -0.225 5.503 1.00 0.00 C ATOM 685 O ARG A 48 -1.047 0.595 5.591 1.00 0.00 O ATOM 686 CB ARG A 48 0.713 0.108 7.826 1.00 0.00 C ATOM 687 CG ARG A 48 1.856 -0.271 8.769 1.00 0.00 C ATOM 688 CD ARG A 48 1.465 -0.032 10.228 1.00 0.00 C ATOM 689 NE ARG A 48 2.605 -0.352 11.117 1.00 0.00 N ATOM 690 CZ ARG A 48 2.651 -0.042 12.419 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.623 0.598 12.994 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.727 -0.370 13.149 1.00 0.00 N ATOM 0 H ARG A 48 1.720 1.925 6.343 1.00 0.00 H new ATOM 0 HA ARG A 48 1.725 -0.987 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.427 1.146 7.995 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.162 -0.504 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.118 -1.319 8.626 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.742 0.315 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.165 1.007 10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.605 -0.650 10.489 1.00 0.00 H new ATOM 0 HE ARG A 48 3.405 -0.839 10.713 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.804 0.849 12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.659 0.833 13.986 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.511 -0.856 12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.762 -0.134 14.141 1.00 0.00 H new ATOM 706 N LEU A 49 -0.142 -1.272 4.692 1.00 0.00 N ATOM 707 CA LEU A 49 -1.272 -1.533 3.816 1.00 0.00 C ATOM 708 C LEU A 49 -1.905 -2.874 4.193 1.00 0.00 C ATOM 709 O LEU A 49 -1.199 -3.855 4.424 1.00 0.00 O ATOM 710 CB LEU A 49 -0.845 -1.445 2.350 1.00 0.00 C ATOM 711 CG LEU A 49 -0.151 -0.148 1.929 1.00 0.00 C ATOM 712 CD1 LEU A 49 -1.109 1.041 2.021 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.124 0.080 2.744 1.00 0.00 C ATOM 0 H LEU A 49 0.617 -1.950 4.623 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.039 -0.770 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.175 -2.278 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.729 -1.580 1.726 1.00 0.00 H new ATOM 0 HG LEU A 49 0.146 -0.243 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.591 1.950 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.962 0.872 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.457 1.149 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.598 1.008 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.872 0.146 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.811 -0.751 2.585 1.00 0.00 H new ATOM 725 N LYS A 50 -3.229 -2.874 4.245 1.00 0.00 N ATOM 726 CA LYS A 50 -3.965 -4.078 4.589 1.00 0.00 C ATOM 727 C LYS A 50 -4.585 -4.672 3.324 1.00 0.00 C ATOM 728 O LYS A 50 -5.806 -4.722 3.191 1.00 0.00 O ATOM 729 CB LYS A 50 -4.982 -3.786 5.695 1.00 0.00 C ATOM 730 CG LYS A 50 -5.791 -5.039 6.040 1.00 0.00 C ATOM 731 CD LYS A 50 -6.607 -4.829 7.316 1.00 0.00 C ATOM 732 CE LYS A 50 -7.678 -3.756 7.112 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.016 -4.376 6.979 1.00 0.00 N ATOM 0 H LYS A 50 -3.811 -2.058 4.054 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.292 -4.832 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.464 -3.426 6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.655 -2.991 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.458 -5.285 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.118 -5.887 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.078 -5.767 7.609 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.945 -4.537 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.673 -3.065 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.451 -3.172 6.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.731 -3.633 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.021 -5.018 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.237 -4.913 7.842 1.00 0.00 H new ATOM 747 N LEU A 51 -3.714 -5.107 2.424 1.00 0.00 N ATOM 748 CA LEU A 51 -4.162 -5.696 1.174 1.00 0.00 C ATOM 749 C LEU A 51 -4.352 -7.202 1.363 1.00 0.00 C ATOM 750 O LEU A 51 -3.806 -7.788 2.296 1.00 0.00 O ATOM 751 CB LEU A 51 -3.201 -5.336 0.038 1.00 0.00 C ATOM 752 CG LEU A 51 -1.941 -6.197 -0.073 1.00 0.00 C ATOM 753 CD1 LEU A 51 -1.102 -6.109 1.202 1.00 0.00 C ATOM 754 CD2 LEU A 51 -2.295 -7.642 -0.429 1.00 0.00 C ATOM 0 H LEU A 51 -2.701 -5.063 2.536 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.130 -5.286 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.744 -5.399 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.897 -4.297 0.162 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.330 -5.805 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.213 -6.730 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.804 -5.074 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.691 -6.460 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.382 -8.233 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.937 -8.061 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.818 -7.663 -1.385 1.00 0.00 H new ATOM 988 N GLY A 68 7.003 -4.923 -7.735 1.00 0.00 N ATOM 989 CA GLY A 68 6.570 -3.948 -8.721 1.00 0.00 C ATOM 990 C GLY A 68 5.749 -2.834 -8.068 1.00 0.00 C ATOM 991 O GLY A 68 6.034 -1.653 -8.261 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.439 -3.519 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.974 -4.442 -9.488 1.00 0.00 H new ATOM 995 N ILE A 69 4.747 -3.249 -7.306 1.00 0.00 N ATOM 996 CA ILE A 69 3.884 -2.302 -6.623 1.00 0.00 C ATOM 997 C ILE A 69 4.719 -1.469 -5.648 1.00 0.00 C ATOM 998 O ILE A 69 4.762 -0.244 -5.752 1.00 0.00 O ATOM 999 CB ILE A 69 2.709 -3.026 -5.963 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.707 -3.514 -7.012 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.045 -2.143 -4.904 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.126 -4.875 -6.623 1.00 0.00 C ATOM 0 H ILE A 69 4.514 -4.229 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 69 3.440 -1.608 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 69 3.095 -3.907 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.902 -2.787 -7.117 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.198 -3.588 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.213 -2.682 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.774 -1.887 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.675 -1.230 -5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.417 -5.199 -7.385 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.931 -5.605 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.615 -4.792 -5.664 1.00 0.00 H new ATOM 1014 N GLN A 70 5.361 -2.167 -4.723 1.00 0.00 N ATOM 1015 CA GLN A 70 6.192 -1.508 -3.730 1.00 0.00 C ATOM 1016 C GLN A 70 7.147 -0.523 -4.407 1.00 0.00 C ATOM 1017 O GLN A 70 7.176 0.657 -4.061 1.00 0.00 O ATOM 1018 CB GLN A 70 6.961 -2.530 -2.892 1.00 0.00 C ATOM 1019 CG GLN A 70 7.472 -1.902 -1.594 1.00 0.00 C ATOM 1020 CD GLN A 70 8.670 -2.679 -1.043 1.00 0.00 C ATOM 1021 OE1 GLN A 70 8.550 -3.514 -0.162 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.830 -2.357 -1.611 1.00 0.00 N ATOM 0 H GLN A 70 5.322 -3.183 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 70 5.544 -0.950 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.314 -3.376 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.801 -2.919 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.758 -0.866 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.672 -1.887 -0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.860 -1.648 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.689 -2.819 -1.313 1.00 0.00 H new ATOM 1031 N ASN A 71 7.907 -1.045 -5.359 1.00 0.00 N ATOM 1032 CA ASN A 71 8.861 -0.227 -6.087 1.00 0.00 C ATOM 1033 C ASN A 71 8.158 1.029 -6.607 1.00 0.00 C ATOM 1034 O ASN A 71 8.560 2.147 -6.286 1.00 0.00 O ATOM 1035 CB ASN A 71 9.429 -0.983 -7.291 1.00 0.00 C ATOM 1036 CG ASN A 71 10.709 -1.730 -6.915 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.811 -1.348 -7.274 1.00 0.00 O ATOM 1038 ND2 ASN A 71 10.505 -2.814 -6.171 1.00 0.00 N ATOM 0 H ASN A 71 7.881 -2.024 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 71 9.673 0.030 -5.406 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.688 -1.690 -7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.637 -0.282 -8.100 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.297 -3.380 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.557 -3.079 -5.905 1.00 0.00 H new ATOM 1045 N MET A 72 7.122 0.804 -7.400 1.00 0.00 N ATOM 1046 CA MET A 72 6.360 1.902 -7.967 1.00 0.00 C ATOM 1047 C MET A 72 6.132 3.004 -6.930 1.00 0.00 C ATOM 1048 O MET A 72 6.418 4.172 -7.187 1.00 0.00 O ATOM 1049 CB MET A 72 5.008 1.385 -8.465 1.00 0.00 C ATOM 1050 CG MET A 72 4.031 2.537 -8.697 1.00 0.00 C ATOM 1051 SD MET A 72 3.024 2.786 -7.244 1.00 0.00 S ATOM 1052 CE MET A 72 2.101 1.259 -7.241 1.00 0.00 C ATOM 0 H MET A 72 6.792 -0.124 -7.664 1.00 0.00 H new ATOM 0 HA MET A 72 6.928 2.320 -8.798 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.147 0.829 -9.392 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.590 0.690 -7.736 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.580 3.449 -8.929 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.397 2.319 -9.556 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.955 0.924 -6.214 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.131 1.419 -7.712 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.652 0.500 -7.796 1.00 0.00 H new ATOM 1062 N LEU A 73 5.620 2.592 -5.779 1.00 0.00 N ATOM 1063 CA LEU A 73 5.352 3.531 -4.702 1.00 0.00 C ATOM 1064 C LEU A 73 6.611 4.351 -4.420 1.00 0.00 C ATOM 1065 O LEU A 73 6.558 5.580 -4.374 1.00 0.00 O ATOM 1066 CB LEU A 73 4.810 2.795 -3.474 1.00 0.00 C ATOM 1067 CG LEU A 73 3.745 3.537 -2.664 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.567 3.946 -3.551 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.293 2.706 -1.461 1.00 0.00 C ATOM 0 H LEU A 73 5.384 1.622 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 73 4.573 4.235 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.392 1.843 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.646 2.566 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 73 4.189 4.453 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.825 4.472 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.921 4.602 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.115 3.056 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.536 3.256 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.873 1.762 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.148 2.507 -0.814 1.00 0.00 H new ATOM 1081 N GLN A 74 7.715 3.640 -4.239 1.00 0.00 N ATOM 1082 CA GLN A 74 8.985 4.289 -3.963 1.00 0.00 C ATOM 1083 C GLN A 74 9.405 5.160 -5.148 1.00 0.00 C ATOM 1084 O GLN A 74 9.786 6.315 -4.969 1.00 0.00 O ATOM 1085 CB GLN A 74 10.065 3.257 -3.631 1.00 0.00 C ATOM 1086 CG GLN A 74 9.865 2.686 -2.226 1.00 0.00 C ATOM 1087 CD GLN A 74 8.941 1.466 -2.258 1.00 0.00 C ATOM 1088 OE1 GLN A 74 9.309 0.387 -2.691 1.00 0.00 O ATOM 1089 NE2 GLN A 74 7.723 1.698 -1.775 1.00 0.00 N ATOM 0 H GLN A 74 7.756 2.622 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 74 8.861 4.932 -3.092 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.038 2.449 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.049 3.720 -3.703 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.829 2.406 -1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.441 3.451 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.480 2.626 -1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.032 0.948 -1.752 1.00 0.00 H new ATOM 1098 N PHE A 75 9.322 4.573 -6.333 1.00 0.00 N ATOM 1099 CA PHE A 75 9.688 5.281 -7.547 1.00 0.00 C ATOM 1100 C PHE A 75 9.032 6.663 -7.595 1.00 0.00 C ATOM 1101 O PHE A 75 9.680 7.650 -7.937 1.00 0.00 O ATOM 1102 CB PHE A 75 9.178 4.446 -8.723 1.00 0.00 C ATOM 1103 CG PHE A 75 8.968 5.247 -10.010 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.845 5.998 -10.168 1.00 0.00 C ATOM 1105 CD2 PHE A 75 9.904 5.209 -10.996 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.649 6.742 -11.362 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.709 5.952 -12.189 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.586 6.703 -12.347 1.00 0.00 C ATOM 0 H PHE A 75 9.006 3.614 -6.478 1.00 0.00 H new ATOM 0 HA PHE A 75 10.768 5.420 -7.585 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.887 3.642 -8.919 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.235 3.977 -8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.102 6.029 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 75 10.796 4.613 -10.871 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.757 7.338 -11.488 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.452 5.921 -12.972 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.438 7.269 -13.255 1.00 0.00 H new ATOM 1118 N TYR A 76 7.754 6.688 -7.247 1.00 0.00 N ATOM 1119 CA TYR A 76 7.003 7.932 -7.246 1.00 0.00 C ATOM 1120 C TYR A 76 7.359 8.787 -6.028 1.00 0.00 C ATOM 1121 O TYR A 76 7.767 9.938 -6.171 1.00 0.00 O ATOM 1122 CB TYR A 76 5.528 7.533 -7.161 1.00 0.00 C ATOM 1123 CG TYR A 76 4.905 7.164 -8.509 1.00 0.00 C ATOM 1124 CD1 TYR A 76 4.858 8.096 -9.526 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.390 5.899 -8.706 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.272 7.747 -10.794 1.00 0.00 C ATOM 1127 CE2 TYR A 76 3.803 5.551 -9.975 1.00 0.00 C ATOM 1128 CZ TYR A 76 3.773 6.492 -10.956 1.00 0.00 C ATOM 1129 OH TYR A 76 3.220 6.164 -12.154 1.00 0.00 O ATOM 0 H TYR A 76 7.219 5.867 -6.964 1.00 0.00 H new ATOM 0 HA TYR A 76 7.228 8.517 -8.138 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.430 6.685 -6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.964 8.357 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.260 9.086 -9.371 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.427 5.170 -7.910 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.230 8.466 -11.599 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.396 4.565 -10.143 1.00 0.00 H new ATOM 0 HH TYR A 76 2.906 5.236 -12.126 1.00 0.00 H new ATOM 1139 N ILE A 77 7.193 8.189 -4.857 1.00 0.00 N ATOM 1140 CA ILE A 77 7.492 8.881 -3.614 1.00 0.00 C ATOM 1141 C ILE A 77 8.691 8.213 -2.940 1.00 0.00 C ATOM 1142 O ILE A 77 8.629 7.039 -2.575 1.00 0.00 O ATOM 1143 CB ILE A 77 6.247 8.950 -2.727 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.124 9.728 -3.417 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.586 9.530 -1.352 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.789 9.512 -2.702 1.00 0.00 C ATOM 0 H ILE A 77 6.855 7.233 -4.743 1.00 0.00 H new ATOM 0 HA ILE A 77 7.772 9.916 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 77 5.884 7.935 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.367 10.791 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.040 9.409 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.684 9.568 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.329 8.899 -0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.987 10.537 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.008 10.076 -3.212 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.538 8.451 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.869 9.855 -1.670 1.00 0.00 H new ATOM 1158 N PRO A 78 9.783 9.010 -2.790 1.00 0.00 N ATOM 1159 CA PRO A 78 10.995 8.509 -2.166 1.00 0.00 C ATOM 1160 C PRO A 78 10.826 8.398 -0.649 1.00 0.00 C ATOM 1161 O PRO A 78 11.714 7.906 0.044 1.00 0.00 O ATOM 1162 CB PRO A 78 12.082 9.491 -2.571 1.00 0.00 C ATOM 1163 CG PRO A 78 11.359 10.752 -3.016 1.00 0.00 C ATOM 1164 CD PRO A 78 9.892 10.404 -3.210 1.00 0.00 C ATOM 0 HA PRO A 78 11.247 7.499 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.752 9.699 -1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.694 9.086 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.469 11.539 -2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.788 11.130 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.249 11.049 -2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.589 10.529 -4.250 1.00 0.00 H new ATOM 1172 N GLU A 79 9.678 8.862 -0.179 1.00 0.00 N ATOM 1173 CA GLU A 79 9.380 8.821 1.243 1.00 0.00 C ATOM 1174 C GLU A 79 9.238 7.373 1.714 1.00 0.00 C ATOM 1175 O GLU A 79 10.060 6.884 2.487 1.00 0.00 O ATOM 1176 CB GLU A 79 8.120 9.628 1.563 1.00 0.00 C ATOM 1177 CG GLU A 79 8.150 10.991 0.866 1.00 0.00 C ATOM 1178 CD GLU A 79 8.324 12.122 1.881 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.824 11.820 2.986 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.954 13.263 1.529 1.00 0.00 O ATOM 0 H GLU A 79 8.943 9.268 -0.757 1.00 0.00 H new ATOM 0 HA GLU A 79 10.210 9.278 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.238 9.072 1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.038 9.768 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.966 11.016 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.226 11.138 0.307 1.00 0.00 H new ATOM 1187 N VAL A 80 8.188 6.727 1.228 1.00 0.00 N ATOM 1188 CA VAL A 80 7.928 5.344 1.589 1.00 0.00 C ATOM 1189 C VAL A 80 9.178 4.505 1.317 1.00 0.00 C ATOM 1190 O VAL A 80 10.040 4.905 0.536 1.00 0.00 O ATOM 1191 CB VAL A 80 6.692 4.833 0.845 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.686 5.318 -0.606 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.603 3.306 0.913 1.00 0.00 C ATOM 0 H VAL A 80 7.508 7.136 0.587 1.00 0.00 H new ATOM 0 HA VAL A 80 7.708 5.263 2.653 1.00 0.00 H new ATOM 0 HB VAL A 80 5.811 5.242 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.797 4.941 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.680 6.408 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.577 4.951 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.716 2.969 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.491 2.869 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.539 2.991 1.955 1.00 0.00 H new ATOM 1203 N GLU A 81 9.238 3.359 1.977 1.00 0.00 N ATOM 1204 CA GLU A 81 10.369 2.460 1.817 1.00 0.00 C ATOM 1205 C GLU A 81 9.897 1.099 1.302 1.00 0.00 C ATOM 1206 O GLU A 81 10.554 0.488 0.462 1.00 0.00 O ATOM 1207 CB GLU A 81 11.142 2.313 3.129 1.00 0.00 C ATOM 1208 CG GLU A 81 12.159 3.444 3.296 1.00 0.00 C ATOM 1209 CD GLU A 81 13.545 2.888 3.631 1.00 0.00 C ATOM 1210 OE1 GLU A 81 13.650 2.219 4.682 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.469 3.145 2.830 1.00 0.00 O ATOM 0 H GLU A 81 8.521 3.031 2.625 1.00 0.00 H new ATOM 0 HA GLU A 81 11.048 2.889 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.446 2.318 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.656 1.352 3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.210 4.031 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.832 4.118 4.088 1.00 0.00 H new ATOM 1218 N GLY A 82 8.761 0.664 1.828 1.00 0.00 N ATOM 1219 CA GLY A 82 8.194 -0.613 1.432 1.00 0.00 C ATOM 1220 C GLY A 82 6.739 -0.732 1.889 1.00 0.00 C ATOM 1221 O GLY A 82 6.217 0.164 2.552 1.00 0.00 O ATOM 0 H GLY A 82 8.218 1.174 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.248 -0.719 0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.781 -1.425 1.861 1.00 0.00 H new ATOM 1225 N VAL A 83 6.123 -1.845 1.517 1.00 0.00 N ATOM 1226 CA VAL A 83 4.738 -2.093 1.881 1.00 0.00 C ATOM 1227 C VAL A 83 4.657 -3.369 2.721 1.00 0.00 C ATOM 1228 O VAL A 83 5.467 -4.280 2.553 1.00 0.00 O ATOM 1229 CB VAL A 83 3.869 -2.148 0.623 1.00 0.00 C ATOM 1230 CG1 VAL A 83 4.136 -0.944 -0.281 1.00 0.00 C ATOM 1231 CG2 VAL A 83 4.083 -3.460 -0.133 1.00 0.00 C ATOM 0 H VAL A 83 6.558 -2.586 0.967 1.00 0.00 H new ATOM 0 HA VAL A 83 4.351 -1.277 2.492 1.00 0.00 H new ATOM 0 HB VAL A 83 2.825 -2.107 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.505 -1.008 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.909 -0.025 0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.184 -0.939 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.454 -3.474 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.129 -3.544 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.819 -4.298 0.511 1.00 0.00 H new ATOM 1241 N GLU A 84 3.672 -3.395 3.606 1.00 0.00 N ATOM 1242 CA GLU A 84 3.474 -4.544 4.472 1.00 0.00 C ATOM 1243 C GLU A 84 1.981 -4.842 4.627 1.00 0.00 C ATOM 1244 O GLU A 84 1.193 -3.944 4.922 1.00 0.00 O ATOM 1245 CB GLU A 84 4.133 -4.324 5.835 1.00 0.00 C ATOM 1246 CG GLU A 84 4.814 -5.601 6.328 1.00 0.00 C ATOM 1247 CD GLU A 84 3.796 -6.727 6.522 1.00 0.00 C ATOM 1248 OE1 GLU A 84 2.956 -6.580 7.435 1.00 0.00 O ATOM 1249 OE2 GLU A 84 3.881 -7.708 5.751 1.00 0.00 O ATOM 0 H GLU A 84 3.002 -2.638 3.742 1.00 0.00 H new ATOM 0 HA GLU A 84 3.951 -5.408 4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.867 -3.521 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.382 -4.006 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.573 -5.912 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.327 -5.404 7.269 1.00 0.00 H new ATOM 1256 N GLN A 85 1.637 -6.104 4.420 1.00 0.00 N ATOM 1257 CA GLN A 85 0.252 -6.531 4.533 1.00 0.00 C ATOM 1258 C GLN A 85 -0.192 -6.510 5.997 1.00 0.00 C ATOM 1259 O GLN A 85 -0.225 -7.549 6.654 1.00 0.00 O ATOM 1260 CB GLN A 85 0.055 -7.919 3.920 1.00 0.00 C ATOM 1261 CG GLN A 85 -1.431 -8.220 3.713 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.883 -9.383 4.599 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.200 -10.382 4.752 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -3.069 -9.197 5.173 1.00 0.00 N ATOM 0 H GLN A 85 2.293 -6.845 4.175 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.371 -5.832 3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 85 0.578 -7.977 2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.496 -8.674 4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.021 -7.333 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.614 -8.463 2.666 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.589 -8.336 5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -3.458 -9.915 5.784 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.523 -5.315 6.464 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.966 -5.145 7.837 1.00 0.00 C ATOM 1275 C VAL A 86 -2.268 -5.919 8.050 1.00 0.00 C ATOM 1276 O VAL A 86 -3.095 -6.010 7.144 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.096 -3.656 8.165 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.259 -2.952 8.067 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.130 -2.984 7.259 1.00 0.00 C ATOM 0 H VAL A 86 -0.493 -4.455 5.916 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.229 -5.554 8.528 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.445 -3.569 9.194 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.138 -1.895 8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.956 -3.405 8.772 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.649 -3.054 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.203 -1.926 7.513 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.823 -3.087 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.101 -3.459 7.400 1.00 0.00 H new