USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=5 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 Single : A 17 MET CE :methyl -170:sc= -1.48 (180deg=-2.08) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 122:sc= -4.15! USER MOD Single : A 29 THR OG1 : rot -153:sc= -0.218 USER MOD Single : A 31 GLN : amide:sc= -2.36! X(o=-2.4!,f=-2) USER MOD Single : A 39 TYR OH : rot -100:sc= -1.57 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.72 X(o=-2.7,f=-3.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.49! C(o=-1.5!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -2.323 13.723 9.550 1.00 0.00 N ATOM 108 CA ASP A 11 -1.803 13.332 8.250 1.00 0.00 C ATOM 109 C ASP A 11 -1.004 14.494 7.655 1.00 0.00 C ATOM 110 O ASP A 11 -1.422 15.647 7.739 1.00 0.00 O ATOM 111 CB ASP A 11 -2.938 12.994 7.281 1.00 0.00 C ATOM 112 CG ASP A 11 -4.169 13.897 7.387 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.831 13.831 8.445 1.00 0.00 O ATOM 114 OD2 ASP A 11 -4.419 14.632 6.408 1.00 0.00 O ATOM 0 HA ASP A 11 -1.174 12.453 8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.554 13.047 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.247 11.963 7.452 1.00 0.00 H new ATOM 119 N ASP A 12 0.132 14.148 7.067 1.00 0.00 N ATOM 120 CA ASP A 12 0.993 15.148 6.458 1.00 0.00 C ATOM 121 C ASP A 12 0.675 15.247 4.964 1.00 0.00 C ATOM 122 O ASP A 12 -0.320 14.693 4.500 1.00 0.00 O ATOM 123 CB ASP A 12 2.468 14.765 6.603 1.00 0.00 C ATOM 124 CG ASP A 12 3.347 15.824 7.270 1.00 0.00 C ATOM 125 OD1 ASP A 12 3.223 15.969 8.505 1.00 0.00 O ATOM 126 OD2 ASP A 12 4.125 16.464 6.530 1.00 0.00 O ATOM 0 H ASP A 12 0.476 13.190 6.999 1.00 0.00 H new ATOM 0 HA ASP A 12 0.815 16.099 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.534 13.843 7.181 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.871 14.550 5.613 1.00 0.00 H new ATOM 131 N GLU A 13 1.539 15.956 4.254 1.00 0.00 N ATOM 132 CA GLU A 13 1.363 16.136 2.823 1.00 0.00 C ATOM 133 C GLU A 13 1.745 14.855 2.077 1.00 0.00 C ATOM 134 O GLU A 13 1.229 14.587 0.993 1.00 0.00 O ATOM 135 CB GLU A 13 2.175 17.329 2.316 1.00 0.00 C ATOM 136 CG GLU A 13 1.549 18.650 2.769 1.00 0.00 C ATOM 137 CD GLU A 13 2.108 19.825 1.963 1.00 0.00 C ATOM 138 OE1 GLU A 13 3.213 20.285 2.325 1.00 0.00 O ATOM 139 OE2 GLU A 13 1.418 20.237 1.006 1.00 0.00 O ATOM 0 H GLU A 13 2.364 16.413 4.643 1.00 0.00 H new ATOM 0 HA GLU A 13 0.311 16.347 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.198 17.261 2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.228 17.302 1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.467 18.604 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.746 18.805 3.830 1.00 0.00 H new ATOM 146 N VAL A 14 2.646 14.099 2.686 1.00 0.00 N ATOM 147 CA VAL A 14 3.103 12.855 2.094 1.00 0.00 C ATOM 148 C VAL A 14 1.995 11.806 2.202 1.00 0.00 C ATOM 149 O VAL A 14 1.755 11.051 1.261 1.00 0.00 O ATOM 150 CB VAL A 14 4.412 12.411 2.750 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.174 11.951 4.189 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.094 11.315 1.929 1.00 0.00 C ATOM 0 H VAL A 14 3.072 14.325 3.585 1.00 0.00 H new ATOM 0 HA VAL A 14 3.318 12.994 1.034 1.00 0.00 H new ATOM 0 HB VAL A 14 5.081 13.271 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.120 11.641 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.753 12.773 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.479 11.111 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.022 11.018 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.432 10.452 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.315 11.692 0.931 1.00 0.00 H new ATOM 162 N VAL A 15 1.347 11.793 3.358 1.00 0.00 N ATOM 163 CA VAL A 15 0.270 10.849 3.602 1.00 0.00 C ATOM 164 C VAL A 15 -0.743 10.932 2.459 1.00 0.00 C ATOM 165 O VAL A 15 -0.981 9.946 1.763 1.00 0.00 O ATOM 166 CB VAL A 15 -0.355 11.111 4.974 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.786 10.574 5.036 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.504 10.514 6.090 1.00 0.00 C ATOM 0 H VAL A 15 1.547 12.422 4.136 1.00 0.00 H new ATOM 0 HA VAL A 15 0.654 9.829 3.624 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.396 12.190 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.207 10.773 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.393 11.066 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.779 9.499 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.038 10.714 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.591 9.437 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.496 10.965 6.066 1.00 0.00 H new ATOM 178 N ALA A 16 -1.312 12.118 2.300 1.00 0.00 N ATOM 179 CA ALA A 16 -2.295 12.342 1.253 1.00 0.00 C ATOM 180 C ALA A 16 -1.701 11.927 -0.095 1.00 0.00 C ATOM 181 O ALA A 16 -2.429 11.527 -1.002 1.00 0.00 O ATOM 182 CB ALA A 16 -2.734 13.807 1.269 1.00 0.00 C ATOM 0 H ALA A 16 -1.111 12.934 2.878 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.183 11.734 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.471 13.975 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.175 14.044 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.869 14.448 1.098 1.00 0.00 H new ATOM 188 N MET A 17 -0.383 12.036 -0.184 1.00 0.00 N ATOM 189 CA MET A 17 0.317 11.678 -1.406 1.00 0.00 C ATOM 190 C MET A 17 0.231 10.172 -1.665 1.00 0.00 C ATOM 191 O MET A 17 -0.271 9.745 -2.703 1.00 0.00 O ATOM 192 CB MET A 17 1.785 12.094 -1.294 1.00 0.00 C ATOM 193 CG MET A 17 2.212 12.932 -2.501 1.00 0.00 C ATOM 194 SD MET A 17 3.017 14.427 -1.951 1.00 0.00 S ATOM 195 CE MET A 17 4.625 13.775 -1.528 1.00 0.00 C ATOM 0 H MET A 17 0.218 12.367 0.570 1.00 0.00 H new ATOM 0 HA MET A 17 -0.155 12.199 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.936 12.666 -0.378 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.414 11.206 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.888 12.356 -3.133 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.342 13.180 -3.108 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.199 14.537 -1.001 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.506 12.902 -0.887 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.152 13.488 -2.438 1.00 0.00 H new ATOM 205 N ILE A 18 0.729 9.409 -0.703 1.00 0.00 N ATOM 206 CA ILE A 18 0.715 7.960 -0.814 1.00 0.00 C ATOM 207 C ILE A 18 -0.721 7.485 -1.046 1.00 0.00 C ATOM 208 O ILE A 18 -0.958 6.587 -1.852 1.00 0.00 O ATOM 209 CB ILE A 18 1.385 7.323 0.405 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.890 7.594 0.407 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.072 5.827 0.482 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.367 8.022 1.797 1.00 0.00 C ATOM 0 H ILE A 18 1.145 9.767 0.157 1.00 0.00 H new ATOM 0 HA ILE A 18 1.301 7.638 -1.675 1.00 0.00 H new ATOM 0 HB ILE A 18 0.974 7.785 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.425 6.697 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.124 8.374 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.560 5.398 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.006 5.684 0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.439 5.332 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.441 8.209 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.847 8.932 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.153 7.230 2.515 1.00 0.00 H new ATOM 224 N LYS A 19 -1.641 8.109 -0.325 1.00 0.00 N ATOM 225 CA LYS A 19 -3.047 7.761 -0.442 1.00 0.00 C ATOM 226 C LYS A 19 -3.468 7.846 -1.910 1.00 0.00 C ATOM 227 O LYS A 19 -4.056 6.908 -2.446 1.00 0.00 O ATOM 228 CB LYS A 19 -3.892 8.628 0.493 1.00 0.00 C ATOM 229 CG LYS A 19 -4.160 7.909 1.816 1.00 0.00 C ATOM 230 CD LYS A 19 -5.460 8.401 2.454 1.00 0.00 C ATOM 231 CE LYS A 19 -5.551 7.967 3.918 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.905 8.230 4.455 1.00 0.00 N ATOM 0 H LYS A 19 -1.440 8.854 0.342 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.214 6.732 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.378 9.570 0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.838 8.874 0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.219 6.834 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.328 8.077 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.512 9.488 2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.313 8.007 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.320 6.905 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.809 8.503 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.948 7.929 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.112 9.247 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.607 7.699 3.902 1.00 0.00 H new ATOM 246 N GLU A 20 -3.151 8.980 -2.519 1.00 0.00 N ATOM 247 CA GLU A 20 -3.489 9.200 -3.915 1.00 0.00 C ATOM 248 C GLU A 20 -2.868 8.110 -4.790 1.00 0.00 C ATOM 249 O GLU A 20 -3.581 7.368 -5.465 1.00 0.00 O ATOM 250 CB GLU A 20 -3.047 10.590 -4.374 1.00 0.00 C ATOM 251 CG GLU A 20 -4.253 11.505 -4.593 1.00 0.00 C ATOM 252 CD GLU A 20 -4.979 11.780 -3.275 1.00 0.00 C ATOM 253 OE1 GLU A 20 -4.465 12.624 -2.508 1.00 0.00 O ATOM 254 OE2 GLU A 20 -6.033 11.142 -3.063 1.00 0.00 O ATOM 0 H GLU A 20 -2.664 9.756 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.573 9.147 -4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.384 11.029 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.476 10.507 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.925 12.446 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.941 11.043 -5.302 1.00 0.00 H new ATOM 261 N LEU A 21 -1.545 8.047 -4.751 1.00 0.00 N ATOM 262 CA LEU A 21 -0.819 7.059 -5.532 1.00 0.00 C ATOM 263 C LEU A 21 -1.394 5.670 -5.249 1.00 0.00 C ATOM 264 O LEU A 21 -1.219 4.748 -6.045 1.00 0.00 O ATOM 265 CB LEU A 21 0.684 7.168 -5.270 1.00 0.00 C ATOM 266 CG LEU A 21 1.553 7.511 -6.481 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.022 7.653 -6.079 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.361 6.486 -7.601 1.00 0.00 C ATOM 0 H LEU A 21 -0.957 8.664 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.947 7.246 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.845 7.928 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.030 6.221 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 21 1.231 8.477 -6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.618 7.897 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.122 8.449 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.374 6.715 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.990 6.753 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.640 5.496 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.316 6.478 -7.912 1.00 0.00 H new ATOM 280 N LEU A 22 -2.067 5.562 -4.114 1.00 0.00 N ATOM 281 CA LEU A 22 -2.668 4.300 -3.717 1.00 0.00 C ATOM 282 C LEU A 22 -4.033 4.155 -4.392 1.00 0.00 C ATOM 283 O LEU A 22 -4.478 3.042 -4.668 1.00 0.00 O ATOM 284 CB LEU A 22 -2.723 4.188 -2.191 1.00 0.00 C ATOM 285 CG LEU A 22 -1.504 3.551 -1.521 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.801 2.112 -1.098 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.272 3.641 -2.425 1.00 0.00 C ATOM 0 H LEU A 22 -2.210 6.328 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.054 3.464 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.859 5.187 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.606 3.608 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.279 4.113 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.918 1.682 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.631 2.104 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.065 1.522 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.580 3.181 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.469 3.119 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.049 4.687 -2.633 1.00 0.00 H new ATOM 299 N ASP A 23 -4.660 5.296 -4.640 1.00 0.00 N ATOM 300 CA ASP A 23 -5.965 5.310 -5.278 1.00 0.00 C ATOM 301 C ASP A 23 -5.785 5.409 -6.794 1.00 0.00 C ATOM 302 O ASP A 23 -6.563 4.834 -7.554 1.00 0.00 O ATOM 303 CB ASP A 23 -6.789 6.516 -4.820 1.00 0.00 C ATOM 304 CG ASP A 23 -7.919 6.191 -3.841 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.621 5.513 -2.835 1.00 0.00 O ATOM 306 OD2 ASP A 23 -9.056 6.630 -4.121 1.00 0.00 O ATOM 0 H ASP A 23 -4.288 6.218 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.485 4.392 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.120 7.238 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.217 7.000 -5.698 1.00 0.00 H new ATOM 311 N THR A 24 -4.755 6.142 -7.190 1.00 0.00 N ATOM 312 CA THR A 24 -4.463 6.323 -8.601 1.00 0.00 C ATOM 313 C THR A 24 -4.767 5.041 -9.377 1.00 0.00 C ATOM 314 O THR A 24 -5.821 4.922 -9.999 1.00 0.00 O ATOM 315 CB THR A 24 -3.009 6.782 -8.729 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.316 6.015 -7.746 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.810 8.231 -8.279 1.00 0.00 C ATOM 0 H THR A 24 -4.112 6.618 -6.557 1.00 0.00 H new ATOM 0 HA THR A 24 -5.100 7.090 -9.041 1.00 0.00 H new ATOM 0 HB THR A 24 -2.685 6.676 -9.764 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.607 5.494 -8.178 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.761 8.506 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.425 8.890 -8.892 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.102 8.331 -7.234 1.00 0.00 H new ATOM 325 N ARG A 25 -3.823 4.113 -9.316 1.00 0.00 N ATOM 326 CA ARG A 25 -3.976 2.843 -10.006 1.00 0.00 C ATOM 327 C ARG A 25 -3.328 1.719 -9.196 1.00 0.00 C ATOM 328 O ARG A 25 -2.661 0.851 -9.756 1.00 0.00 O ATOM 329 CB ARG A 25 -3.339 2.892 -11.397 1.00 0.00 C ATOM 330 CG ARG A 25 -1.915 3.447 -11.329 1.00 0.00 C ATOM 331 CD ARG A 25 -1.470 3.981 -12.692 1.00 0.00 C ATOM 332 NE ARG A 25 -1.489 5.461 -12.687 1.00 0.00 N ATOM 333 CZ ARG A 25 -1.232 6.219 -13.762 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.932 5.642 -14.933 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.273 7.555 -13.664 1.00 0.00 N ATOM 0 H ARG A 25 -2.949 4.215 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.043 2.650 -10.114 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.323 1.891 -11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.944 3.514 -12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.867 4.245 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.231 2.665 -11.000 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.467 3.623 -12.922 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.130 3.603 -13.473 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.712 5.933 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.899 4.625 -15.007 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.737 6.219 -15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.500 7.994 -12.772 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.078 8.133 -14.482 1.00 0.00 H new ATOM 349 N ILE A 26 -3.551 1.769 -7.890 1.00 0.00 N ATOM 350 CA ILE A 26 -2.998 0.765 -6.998 1.00 0.00 C ATOM 351 C ILE A 26 -4.142 0.004 -6.323 1.00 0.00 C ATOM 352 O ILE A 26 -4.291 -1.201 -6.520 1.00 0.00 O ATOM 353 CB ILE A 26 -2.019 1.405 -6.012 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.818 2.007 -6.745 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.591 0.405 -4.936 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.311 2.340 -5.767 1.00 0.00 C ATOM 0 H ILE A 26 -4.107 2.489 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.416 0.035 -7.560 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.531 2.223 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.457 1.305 -7.497 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.125 2.910 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.895 0.886 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.468 0.065 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.104 -0.449 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.152 2.766 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.046 3.060 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.632 1.431 -5.259 1.00 0.00 H new ATOM 368 N ARG A 27 -4.918 0.739 -5.541 1.00 0.00 N ATOM 369 CA ARG A 27 -6.043 0.149 -4.836 1.00 0.00 C ATOM 370 C ARG A 27 -7.044 -0.440 -5.831 1.00 0.00 C ATOM 371 O ARG A 27 -7.457 -1.591 -5.696 1.00 0.00 O ATOM 372 CB ARG A 27 -6.753 1.186 -3.964 1.00 0.00 C ATOM 373 CG ARG A 27 -8.272 1.028 -4.049 1.00 0.00 C ATOM 374 CD ARG A 27 -8.980 2.043 -3.150 1.00 0.00 C ATOM 375 NE ARG A 27 -9.922 1.348 -2.244 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.338 1.842 -1.070 1.00 0.00 C ATOM 377 NH1 ARG A 27 -9.899 3.037 -0.652 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.194 1.139 -0.314 1.00 0.00 N ATOM 0 H ARG A 27 -4.790 1.738 -5.380 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.653 -0.642 -4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.430 1.078 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.470 2.189 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.598 1.161 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.553 0.017 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.246 2.599 -2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.518 2.768 -3.760 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.277 0.436 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.248 3.571 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.216 3.413 0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.528 0.229 -0.633 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.511 1.514 0.580 1.00 0.00 H new ATOM 392 N PRO A 28 -7.415 0.397 -6.837 1.00 0.00 N ATOM 393 CA PRO A 28 -8.359 -0.029 -7.856 1.00 0.00 C ATOM 394 C PRO A 28 -7.699 -0.986 -8.850 1.00 0.00 C ATOM 395 O PRO A 28 -8.372 -1.559 -9.706 1.00 0.00 O ATOM 396 CB PRO A 28 -8.846 1.258 -8.503 1.00 0.00 C ATOM 397 CG PRO A 28 -7.819 2.319 -8.146 1.00 0.00 C ATOM 398 CD PRO A 28 -6.947 1.767 -7.030 1.00 0.00 C ATOM 0 HA PRO A 28 -9.196 -0.594 -7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.930 1.144 -9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.834 1.531 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.212 2.571 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.313 3.236 -7.826 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.892 1.790 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.053 2.354 -6.118 1.00 0.00 H new ATOM 406 N THR A 29 -6.391 -1.130 -8.704 1.00 0.00 N ATOM 407 CA THR A 29 -5.631 -2.007 -9.579 1.00 0.00 C ATOM 408 C THR A 29 -5.422 -3.370 -8.915 1.00 0.00 C ATOM 409 O THR A 29 -5.362 -4.393 -9.596 1.00 0.00 O ATOM 410 CB THR A 29 -4.324 -1.300 -9.940 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.706 -0.349 -10.931 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.341 -2.220 -10.666 1.00 0.00 C ATOM 0 H THR A 29 -5.837 -0.654 -7.992 1.00 0.00 H new ATOM 0 HA THR A 29 -6.172 -2.209 -10.503 1.00 0.00 H new ATOM 0 HB THR A 29 -3.858 -0.915 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.942 -0.159 -11.514 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.430 -1.668 -10.899 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.097 -3.069 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.794 -2.580 -11.590 1.00 0.00 H new ATOM 420 N VAL A 30 -5.315 -3.339 -7.595 1.00 0.00 N ATOM 421 CA VAL A 30 -5.113 -4.559 -6.832 1.00 0.00 C ATOM 422 C VAL A 30 -6.469 -5.212 -6.555 1.00 0.00 C ATOM 423 O VAL A 30 -6.615 -6.426 -6.684 1.00 0.00 O ATOM 424 CB VAL A 30 -4.324 -4.254 -5.558 1.00 0.00 C ATOM 425 CG1 VAL A 30 -3.989 -5.540 -4.799 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.056 -3.459 -5.874 1.00 0.00 C ATOM 0 H VAL A 30 -5.364 -2.488 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.519 -5.273 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.953 -3.639 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.428 -5.295 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.912 -6.051 -4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.389 -6.191 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.514 -3.256 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.422 -4.037 -6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.327 -2.517 -6.351 1.00 0.00 H new ATOM 436 N GLN A 31 -7.426 -4.378 -6.179 1.00 0.00 N ATOM 437 CA GLN A 31 -8.765 -4.858 -5.881 1.00 0.00 C ATOM 438 C GLN A 31 -9.352 -5.577 -7.098 1.00 0.00 C ATOM 439 O GLN A 31 -10.281 -6.373 -6.964 1.00 0.00 O ATOM 440 CB GLN A 31 -9.671 -3.712 -5.431 1.00 0.00 C ATOM 441 CG GLN A 31 -10.244 -2.959 -6.634 1.00 0.00 C ATOM 442 CD GLN A 31 -11.200 -1.853 -6.184 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.736 -1.867 -5.089 1.00 0.00 O ATOM 444 NE2 GLN A 31 -11.384 -0.896 -7.090 1.00 0.00 N ATOM 0 H GLN A 31 -7.301 -3.371 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.701 -5.570 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.485 -4.105 -4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.107 -3.024 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.431 -2.527 -7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.770 -3.656 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.904 -0.945 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.005 -0.113 -6.886 1.00 0.00 H new ATOM 453 N GLU A 32 -8.788 -5.271 -8.256 1.00 0.00 N ATOM 454 CA GLU A 32 -9.243 -5.876 -9.495 1.00 0.00 C ATOM 455 C GLU A 32 -8.498 -7.188 -9.750 1.00 0.00 C ATOM 456 O GLU A 32 -8.872 -7.958 -10.633 1.00 0.00 O ATOM 457 CB GLU A 32 -9.077 -4.913 -10.672 1.00 0.00 C ATOM 458 CG GLU A 32 -10.419 -4.299 -11.072 1.00 0.00 C ATOM 459 CD GLU A 32 -10.296 -3.518 -12.382 1.00 0.00 C ATOM 460 OE1 GLU A 32 -10.467 -4.157 -13.443 1.00 0.00 O ATOM 461 OE2 GLU A 32 -10.032 -2.300 -12.293 1.00 0.00 O ATOM 0 H GLU A 32 -8.018 -4.610 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.306 -6.097 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.377 -4.122 -10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.648 -5.443 -11.522 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.165 -5.086 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.770 -3.636 -10.281 1.00 0.00 H new ATOM 468 N ASP A 33 -7.454 -7.402 -8.961 1.00 0.00 N ATOM 469 CA ASP A 33 -6.653 -8.606 -9.091 1.00 0.00 C ATOM 470 C ASP A 33 -7.279 -9.723 -8.253 1.00 0.00 C ATOM 471 O ASP A 33 -7.804 -10.693 -8.797 1.00 0.00 O ATOM 472 CB ASP A 33 -5.228 -8.377 -8.584 1.00 0.00 C ATOM 473 CG ASP A 33 -4.328 -9.614 -8.602 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.367 -10.359 -7.599 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.621 -9.787 -9.618 1.00 0.00 O ATOM 0 H ASP A 33 -7.145 -6.761 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.621 -8.877 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.763 -7.600 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.278 -7.998 -7.563 1.00 0.00 H new ATOM 480 N GLY A 34 -7.202 -9.549 -6.942 1.00 0.00 N ATOM 481 CA GLY A 34 -7.755 -10.530 -6.022 1.00 0.00 C ATOM 482 C GLY A 34 -7.949 -9.927 -4.630 1.00 0.00 C ATOM 483 O GLY A 34 -9.074 -9.838 -4.140 1.00 0.00 O ATOM 0 H GLY A 34 -6.765 -8.743 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.710 -10.892 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.090 -11.391 -5.960 1.00 0.00 H new ATOM 487 N GLY A 35 -6.836 -9.529 -4.031 1.00 0.00 N ATOM 488 CA GLY A 35 -6.870 -8.939 -2.704 1.00 0.00 C ATOM 489 C GLY A 35 -7.059 -7.422 -2.784 1.00 0.00 C ATOM 490 O GLY A 35 -7.378 -6.888 -3.845 1.00 0.00 O ATOM 0 H GLY A 35 -5.905 -9.604 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.682 -9.380 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.943 -9.167 -2.177 1.00 0.00 H new ATOM 494 N ASP A 36 -6.854 -6.771 -1.649 1.00 0.00 N ATOM 495 CA ASP A 36 -6.998 -5.327 -1.577 1.00 0.00 C ATOM 496 C ASP A 36 -5.793 -4.735 -0.843 1.00 0.00 C ATOM 497 O ASP A 36 -5.161 -5.411 -0.034 1.00 0.00 O ATOM 498 CB ASP A 36 -8.260 -4.938 -0.805 1.00 0.00 C ATOM 499 CG ASP A 36 -9.530 -5.678 -1.227 1.00 0.00 C ATOM 500 OD1 ASP A 36 -9.924 -5.508 -2.401 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.080 -6.398 -0.365 1.00 0.00 O ATOM 0 H ASP A 36 -6.589 -7.217 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.065 -4.943 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.088 -5.118 0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.425 -3.867 -0.924 1.00 0.00 H new ATOM 506 N VAL A 37 -5.512 -3.477 -1.153 1.00 0.00 N ATOM 507 CA VAL A 37 -4.394 -2.786 -0.533 1.00 0.00 C ATOM 508 C VAL A 37 -4.911 -1.546 0.201 1.00 0.00 C ATOM 509 O VAL A 37 -5.240 -0.542 -0.428 1.00 0.00 O ATOM 510 CB VAL A 37 -3.332 -2.460 -1.585 1.00 0.00 C ATOM 511 CG1 VAL A 37 -2.438 -1.310 -1.121 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.502 -3.698 -1.927 1.00 0.00 C ATOM 0 H VAL A 37 -6.039 -2.919 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.912 -3.425 0.207 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.844 -2.140 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.692 -1.098 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.047 -0.422 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.938 -1.589 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.755 -3.439 -2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.004 -4.062 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.155 -4.477 -2.320 1.00 0.00 H new ATOM 522 N ILE A 38 -4.964 -1.657 1.520 1.00 0.00 N ATOM 523 CA ILE A 38 -5.434 -0.558 2.346 1.00 0.00 C ATOM 524 C ILE A 38 -4.272 -0.026 3.187 1.00 0.00 C ATOM 525 O ILE A 38 -3.786 -0.712 4.086 1.00 0.00 O ATOM 526 CB ILE A 38 -6.646 -0.990 3.173 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.758 -1.534 2.274 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.137 0.153 4.064 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.578 -3.033 2.026 1.00 0.00 C ATOM 0 H ILE A 38 -4.689 -2.492 2.038 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.781 0.267 1.723 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.338 -1.802 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.727 -1.352 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.755 -1.001 1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.999 -0.180 4.641 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.339 0.453 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.423 1.002 3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.381 -3.395 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.618 -3.209 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.606 -3.565 2.977 1.00 0.00 H new ATOM 541 N TYR A 39 -3.860 1.192 2.866 1.00 0.00 N ATOM 542 CA TYR A 39 -2.765 1.825 3.582 1.00 0.00 C ATOM 543 C TYR A 39 -3.222 2.324 4.954 1.00 0.00 C ATOM 544 O TYR A 39 -3.897 3.348 5.053 1.00 0.00 O ATOM 545 CB TYR A 39 -2.342 3.024 2.731 1.00 0.00 C ATOM 546 CG TYR A 39 -1.716 4.166 3.534 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.984 3.890 4.671 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.882 5.472 3.120 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.394 4.965 5.426 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.292 6.547 3.875 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.578 6.241 4.991 1.00 0.00 C ATOM 552 OH TYR A 39 -0.020 7.256 5.705 1.00 0.00 O ATOM 0 H TYR A 39 -4.265 1.757 2.120 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.951 1.118 3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.628 2.689 1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.213 3.404 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.854 2.868 4.994 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.454 5.688 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.181 4.763 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.414 7.573 3.562 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.702 7.669 6.274 1.00 0.00 H new ATOM 562 N ARG A 40 -2.837 1.577 5.979 1.00 0.00 N ATOM 563 CA ARG A 40 -3.200 1.931 7.341 1.00 0.00 C ATOM 564 C ARG A 40 -1.955 1.969 8.229 1.00 0.00 C ATOM 565 O ARG A 40 -1.558 0.950 8.792 1.00 0.00 O ATOM 566 CB ARG A 40 -4.202 0.932 7.922 1.00 0.00 C ATOM 567 CG ARG A 40 -5.262 0.553 6.886 1.00 0.00 C ATOM 568 CD ARG A 40 -6.303 1.665 6.736 1.00 0.00 C ATOM 569 NE ARG A 40 -7.665 1.109 6.901 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.218 0.818 8.086 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.530 1.027 9.216 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.460 0.316 8.140 1.00 0.00 N ATOM 0 H ARG A 40 -2.278 0.728 5.893 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.662 2.918 7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.677 0.037 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.684 1.363 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.785 0.364 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.754 -0.373 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.126 2.443 7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.209 2.133 5.756 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.217 0.937 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.585 1.408 9.174 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.951 0.805 10.118 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.983 0.156 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.882 0.094 9.042 1.00 0.00 H new ATOM 586 N GLY A 41 -1.371 3.155 8.324 1.00 0.00 N ATOM 587 CA GLY A 41 -0.178 3.339 9.135 1.00 0.00 C ATOM 588 C GLY A 41 1.034 3.663 8.259 1.00 0.00 C ATOM 589 O GLY A 41 1.252 3.021 7.233 1.00 0.00 O ATOM 0 H GLY A 41 -1.701 3.998 7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.341 4.145 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.017 2.435 9.712 1.00 0.00 H new ATOM 593 N PHE A 42 1.790 4.660 8.697 1.00 0.00 N ATOM 594 CA PHE A 42 2.974 5.077 7.966 1.00 0.00 C ATOM 595 C PHE A 42 4.097 5.479 8.925 1.00 0.00 C ATOM 596 O PHE A 42 4.022 6.523 9.570 1.00 0.00 O ATOM 597 CB PHE A 42 2.577 6.293 7.126 1.00 0.00 C ATOM 598 CG PHE A 42 3.681 6.792 6.193 1.00 0.00 C ATOM 599 CD1 PHE A 42 3.839 6.229 4.964 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.505 7.798 6.589 1.00 0.00 C ATOM 601 CE1 PHE A 42 4.863 6.692 4.097 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.529 8.261 5.723 1.00 0.00 C ATOM 603 CZ PHE A 42 5.687 7.698 4.494 1.00 0.00 C ATOM 0 H PHE A 42 1.605 5.190 9.548 1.00 0.00 H new ATOM 0 HA PHE A 42 3.337 4.256 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.700 6.040 6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.286 7.104 7.794 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.185 5.430 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.380 8.245 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 42 4.988 6.245 3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.183 9.060 6.039 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.466 8.050 3.835 1.00 0.00 H new ATOM 613 N GLU A 43 5.111 4.629 8.987 1.00 0.00 N ATOM 614 CA GLU A 43 6.247 4.882 9.856 1.00 0.00 C ATOM 615 C GLU A 43 7.555 4.580 9.121 1.00 0.00 C ATOM 616 O GLU A 43 7.604 3.691 8.273 1.00 0.00 O ATOM 617 CB GLU A 43 6.143 4.068 11.147 1.00 0.00 C ATOM 618 CG GLU A 43 6.261 4.971 12.376 1.00 0.00 C ATOM 619 CD GLU A 43 6.308 4.143 13.662 1.00 0.00 C ATOM 620 OE1 GLU A 43 7.259 3.341 13.786 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.393 4.331 14.492 1.00 0.00 O ATOM 0 H GLU A 43 5.169 3.764 8.449 1.00 0.00 H new ATOM 0 HA GLU A 43 6.242 5.937 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.191 3.538 11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.929 3.313 11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.161 5.581 12.299 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.414 5.656 12.411 1.00 0.00 H new ATOM 628 N ASP A 44 8.583 5.338 9.474 1.00 0.00 N ATOM 629 CA ASP A 44 9.888 5.162 8.859 1.00 0.00 C ATOM 630 C ASP A 44 9.710 4.907 7.361 1.00 0.00 C ATOM 631 O ASP A 44 10.526 4.224 6.742 1.00 0.00 O ATOM 632 CB ASP A 44 10.623 3.961 9.458 1.00 0.00 C ATOM 633 CG ASP A 44 12.139 4.124 9.577 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.733 4.633 8.601 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.671 3.737 10.640 1.00 0.00 O ATOM 0 H ASP A 44 8.539 6.075 10.178 1.00 0.00 H new ATOM 0 HA ASP A 44 10.469 6.066 9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.215 3.762 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.414 3.084 8.845 1.00 0.00 H new ATOM 640 N GLY A 45 8.640 5.471 6.820 1.00 0.00 N ATOM 641 CA GLY A 45 8.345 5.313 5.406 1.00 0.00 C ATOM 642 C GLY A 45 7.564 4.023 5.149 1.00 0.00 C ATOM 643 O GLY A 45 6.619 4.012 4.361 1.00 0.00 O ATOM 0 H GLY A 45 7.967 6.038 7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.768 6.168 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.274 5.299 4.836 1.00 0.00 H new ATOM 647 N ILE A 46 7.986 2.968 5.830 1.00 0.00 N ATOM 648 CA ILE A 46 7.338 1.675 5.685 1.00 0.00 C ATOM 649 C ILE A 46 5.820 1.868 5.682 1.00 0.00 C ATOM 650 O ILE A 46 5.212 2.048 6.735 1.00 0.00 O ATOM 651 CB ILE A 46 7.831 0.705 6.759 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.322 0.404 6.583 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.987 -0.571 6.776 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.557 -0.520 5.386 1.00 0.00 C ATOM 0 H ILE A 46 8.769 2.982 6.484 1.00 0.00 H new ATOM 0 HA ILE A 46 7.605 1.220 4.731 1.00 0.00 H new ATOM 0 HB ILE A 46 7.711 1.183 7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.870 1.335 6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.712 -0.061 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.359 -1.243 7.549 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.948 -0.317 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.052 -1.063 5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.624 -0.718 5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.027 -1.460 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.188 -0.041 4.479 1.00 0.00 H new ATOM 666 N VAL A 47 5.252 1.827 4.485 1.00 0.00 N ATOM 667 CA VAL A 47 3.817 1.995 4.331 1.00 0.00 C ATOM 668 C VAL A 47 3.107 0.717 4.782 1.00 0.00 C ATOM 669 O VAL A 47 3.417 -0.373 4.301 1.00 0.00 O ATOM 670 CB VAL A 47 3.488 2.386 2.889 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.995 2.676 2.727 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.331 3.581 2.439 1.00 0.00 C ATOM 0 H VAL A 47 5.760 1.680 3.613 1.00 0.00 H new ATOM 0 HA VAL A 47 3.457 2.807 4.963 1.00 0.00 H new ATOM 0 HB VAL A 47 3.736 1.541 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.788 2.952 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.421 1.787 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.710 3.497 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.078 3.838 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.128 4.434 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.388 3.323 2.498 1.00 0.00 H new ATOM 682 N ARG A 48 2.167 0.891 5.699 1.00 0.00 N ATOM 683 CA ARG A 48 1.410 -0.235 6.219 1.00 0.00 C ATOM 684 C ARG A 48 0.166 -0.478 5.363 1.00 0.00 C ATOM 685 O ARG A 48 -0.773 0.317 5.386 1.00 0.00 O ATOM 686 CB ARG A 48 0.985 0.011 7.668 1.00 0.00 C ATOM 687 CG ARG A 48 2.170 -0.147 8.622 1.00 0.00 C ATOM 688 CD ARG A 48 1.701 -0.189 10.077 1.00 0.00 C ATOM 689 NE ARG A 48 2.849 0.029 10.986 1.00 0.00 N ATOM 690 CZ ARG A 48 2.879 -0.363 12.266 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.824 -0.995 12.798 1.00 0.00 N ATOM 692 NH2 ARG A 48 3.964 -0.122 13.016 1.00 0.00 N ATOM 0 H ARG A 48 1.912 1.796 6.096 1.00 0.00 H new ATOM 0 HA ARG A 48 2.055 -1.113 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.568 1.014 7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.196 -0.689 7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.713 -1.062 8.385 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.865 0.681 8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.943 0.576 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.236 -1.151 10.290 1.00 0.00 H new ATOM 0 HE ARG A 48 3.669 0.508 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.998 -1.177 12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.847 -1.294 13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.767 0.360 12.612 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.987 -0.421 13.991 1.00 0.00 H new ATOM 706 N LEU A 49 0.198 -1.580 4.629 1.00 0.00 N ATOM 707 CA LEU A 49 -0.916 -1.938 3.767 1.00 0.00 C ATOM 708 C LEU A 49 -1.550 -3.236 4.274 1.00 0.00 C ATOM 709 O LEU A 49 -0.888 -4.042 4.924 1.00 0.00 O ATOM 710 CB LEU A 49 -0.464 -2.005 2.307 1.00 0.00 C ATOM 711 CG LEU A 49 0.227 -0.754 1.761 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.738 0.433 1.723 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.494 -0.437 2.556 1.00 0.00 C ATOM 0 H LEU A 49 0.978 -2.237 4.613 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.688 -1.169 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.216 -2.849 2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.335 -2.215 1.687 1.00 0.00 H new ATOM 0 HG LEU A 49 0.533 -0.953 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.222 1.309 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.585 0.193 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.096 0.643 2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.966 0.457 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.235 -0.265 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.186 -1.276 2.488 1.00 0.00 H new ATOM 725 N LYS A 50 -2.827 -3.395 3.958 1.00 0.00 N ATOM 726 CA LYS A 50 -3.558 -4.579 4.373 1.00 0.00 C ATOM 727 C LYS A 50 -3.793 -5.480 3.159 1.00 0.00 C ATOM 728 O LYS A 50 -4.923 -5.617 2.692 1.00 0.00 O ATOM 729 CB LYS A 50 -4.843 -4.187 5.105 1.00 0.00 C ATOM 730 CG LYS A 50 -5.575 -5.424 5.632 1.00 0.00 C ATOM 731 CD LYS A 50 -6.746 -5.027 6.531 1.00 0.00 C ATOM 732 CE LYS A 50 -7.912 -4.483 5.702 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.020 -5.464 5.660 1.00 0.00 N ATOM 0 H LYS A 50 -3.374 -2.723 3.419 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.973 -5.155 5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.604 -3.521 5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.496 -3.634 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.940 -6.019 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.880 -6.052 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.076 -5.891 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.420 -4.272 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.265 -3.545 6.131 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.574 -4.263 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.803 -5.079 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.684 -6.349 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.353 -5.654 6.627 1.00 0.00 H new ATOM 747 N LEU A 51 -2.708 -6.072 2.682 1.00 0.00 N ATOM 748 CA LEU A 51 -2.782 -6.956 1.531 1.00 0.00 C ATOM 749 C LEU A 51 -3.374 -8.300 1.962 1.00 0.00 C ATOM 750 O LEU A 51 -2.918 -8.899 2.934 1.00 0.00 O ATOM 751 CB LEU A 51 -1.413 -7.075 0.858 1.00 0.00 C ATOM 752 CG LEU A 51 -1.335 -6.596 -0.593 1.00 0.00 C ATOM 753 CD1 LEU A 51 0.120 -6.461 -1.048 1.00 0.00 C ATOM 754 CD2 LEU A 51 -2.142 -7.510 -1.516 1.00 0.00 C ATOM 0 H LEU A 51 -1.772 -5.957 3.072 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.449 -6.541 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.691 -6.509 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.103 -8.119 0.892 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.784 -5.604 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.147 -6.119 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.634 -5.739 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.616 -7.429 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.070 -7.147 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.746 -8.524 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.186 -7.511 -1.204 1.00 0.00 H new ATOM 988 N GLY A 68 6.652 -4.448 -8.528 1.00 0.00 N ATOM 989 CA GLY A 68 6.443 -3.457 -9.571 1.00 0.00 C ATOM 990 C GLY A 68 5.629 -2.273 -9.046 1.00 0.00 C ATOM 991 O GLY A 68 5.880 -1.129 -9.422 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.406 -3.105 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.925 -3.914 -10.414 1.00 0.00 H new ATOM 995 N ILE A 69 4.672 -2.588 -8.186 1.00 0.00 N ATOM 996 CA ILE A 69 3.820 -1.563 -7.606 1.00 0.00 C ATOM 997 C ILE A 69 4.564 -0.877 -6.459 1.00 0.00 C ATOM 998 O ILE A 69 4.552 0.348 -6.352 1.00 0.00 O ATOM 999 CB ILE A 69 2.471 -2.159 -7.196 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.603 -2.447 -8.422 1.00 0.00 C ATOM 1001 CG2 ILE A 69 1.757 -1.254 -6.188 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.330 -1.167 -9.214 1.00 0.00 C ATOM 0 H ILE A 69 4.467 -3.538 -7.877 1.00 0.00 H new ATOM 0 HA ILE A 69 3.592 -0.793 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 69 2.655 -3.113 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.101 -3.175 -9.062 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.659 -2.892 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.801 -1.699 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.375 -1.142 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.586 -0.275 -6.636 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.711 -1.400 -10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.810 -0.450 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.274 -0.737 -9.548 1.00 0.00 H new ATOM 1014 N GLN A 70 5.195 -1.697 -5.630 1.00 0.00 N ATOM 1015 CA GLN A 70 5.943 -1.183 -4.495 1.00 0.00 C ATOM 1016 C GLN A 70 6.951 -0.130 -4.957 1.00 0.00 C ATOM 1017 O GLN A 70 7.063 0.934 -4.349 1.00 0.00 O ATOM 1018 CB GLN A 70 6.641 -2.317 -3.741 1.00 0.00 C ATOM 1019 CG GLN A 70 5.752 -2.858 -2.619 1.00 0.00 C ATOM 1020 CD GLN A 70 5.356 -4.311 -2.886 1.00 0.00 C ATOM 1021 OE1 GLN A 70 6.015 -5.248 -2.468 1.00 0.00 O ATOM 1022 NE2 GLN A 70 4.244 -4.445 -3.604 1.00 0.00 N ATOM 0 H GLN A 70 5.203 -2.713 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 70 5.243 -0.710 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.888 -3.121 -4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.581 -1.956 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.279 -2.790 -1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.856 -2.243 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.740 -3.618 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.895 -5.375 -3.836 1.00 0.00 H new ATOM 1031 N ASN A 71 7.658 -0.461 -6.027 1.00 0.00 N ATOM 1032 CA ASN A 71 8.653 0.444 -6.577 1.00 0.00 C ATOM 1033 C ASN A 71 7.995 1.789 -6.889 1.00 0.00 C ATOM 1034 O ASN A 71 8.394 2.820 -6.349 1.00 0.00 O ATOM 1035 CB ASN A 71 9.240 -0.109 -7.877 1.00 0.00 C ATOM 1036 CG ASN A 71 10.535 0.619 -8.245 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.432 0.792 -7.437 1.00 0.00 O ATOM 1038 ND2 ASN A 71 10.582 1.035 -9.508 1.00 0.00 N ATOM 0 H ASN A 71 7.562 -1.344 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 71 9.449 0.558 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.436 -1.176 -7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.515 0.000 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.404 1.531 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.796 0.857 -10.133 1.00 0.00 H new ATOM 1045 N MET A 72 6.997 1.736 -7.760 1.00 0.00 N ATOM 1046 CA MET A 72 6.280 2.938 -8.150 1.00 0.00 C ATOM 1047 C MET A 72 6.061 3.861 -6.950 1.00 0.00 C ATOM 1048 O MET A 72 6.202 5.077 -7.063 1.00 0.00 O ATOM 1049 CB MET A 72 4.927 2.552 -8.752 1.00 0.00 C ATOM 1050 CG MET A 72 4.184 3.787 -9.267 1.00 0.00 C ATOM 1051 SD MET A 72 2.916 3.298 -10.423 1.00 0.00 S ATOM 1052 CE MET A 72 1.682 2.685 -9.289 1.00 0.00 C ATOM 0 H MET A 72 6.669 0.880 -8.206 1.00 0.00 H new ATOM 0 HA MET A 72 6.878 3.471 -8.889 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.076 1.846 -9.569 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.321 2.046 -8.000 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.738 4.328 -8.432 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.885 4.468 -9.750 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.814 2.336 -9.849 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.097 1.859 -8.711 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.380 3.485 -8.613 1.00 0.00 H new ATOM 1062 N LEU A 73 5.720 3.246 -5.826 1.00 0.00 N ATOM 1063 CA LEU A 73 5.480 3.997 -4.605 1.00 0.00 C ATOM 1064 C LEU A 73 6.732 4.804 -4.254 1.00 0.00 C ATOM 1065 O LEU A 73 6.681 6.029 -4.170 1.00 0.00 O ATOM 1066 CB LEU A 73 5.014 3.064 -3.486 1.00 0.00 C ATOM 1067 CG LEU A 73 3.722 3.467 -2.770 1.00 0.00 C ATOM 1068 CD1 LEU A 73 2.584 3.672 -3.771 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.357 2.453 -1.686 1.00 0.00 C ATOM 0 H LEU A 73 5.604 2.237 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 73 4.670 4.712 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.878 2.067 -3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.810 2.993 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 73 3.890 4.422 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.677 3.958 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.855 4.460 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.407 2.745 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.436 2.763 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.214 1.472 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.161 2.400 -0.952 1.00 0.00 H new ATOM 1081 N GLN A 74 7.825 4.082 -4.057 1.00 0.00 N ATOM 1082 CA GLN A 74 9.089 4.715 -3.716 1.00 0.00 C ATOM 1083 C GLN A 74 9.534 5.651 -4.842 1.00 0.00 C ATOM 1084 O GLN A 74 9.876 6.806 -4.594 1.00 0.00 O ATOM 1085 CB GLN A 74 10.163 3.668 -3.415 1.00 0.00 C ATOM 1086 CG GLN A 74 10.085 3.205 -1.960 1.00 0.00 C ATOM 1087 CD GLN A 74 9.430 1.825 -1.859 1.00 0.00 C ATOM 1088 OE1 GLN A 74 10.052 0.797 -2.073 1.00 0.00 O ATOM 1089 NE2 GLN A 74 8.145 1.860 -1.520 1.00 0.00 N ATOM 0 H GLN A 74 7.862 3.065 -4.127 1.00 0.00 H new ATOM 0 HA GLN A 74 8.945 5.308 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.039 2.813 -4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.150 4.086 -3.615 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.087 3.168 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.514 3.926 -1.375 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.685 2.755 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.619 0.991 -1.425 1.00 0.00 H new ATOM 1098 N PHE A 75 9.514 5.117 -6.054 1.00 0.00 N ATOM 1099 CA PHE A 75 9.912 5.891 -7.219 1.00 0.00 C ATOM 1100 C PHE A 75 9.338 7.308 -7.157 1.00 0.00 C ATOM 1101 O PHE A 75 10.082 8.286 -7.211 1.00 0.00 O ATOM 1102 CB PHE A 75 9.343 5.176 -8.446 1.00 0.00 C ATOM 1103 CG PHE A 75 9.089 6.097 -9.641 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.884 6.709 -9.783 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.070 6.304 -10.560 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.649 7.564 -10.893 1.00 0.00 C ATOM 1107 CE2 PHE A 75 9.835 7.158 -11.670 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.629 7.771 -11.812 1.00 0.00 C ATOM 0 H PHE A 75 9.229 4.159 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 75 10.998 5.969 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.034 4.389 -8.748 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.407 4.690 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.106 6.546 -9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.028 5.819 -10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 75 6.691 8.050 -11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.613 7.321 -12.401 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.450 8.422 -12.655 1.00 0.00 H new ATOM 1118 N TYR A 76 8.020 7.374 -7.046 1.00 0.00 N ATOM 1119 CA TYR A 76 7.338 8.655 -6.977 1.00 0.00 C ATOM 1120 C TYR A 76 7.611 9.350 -5.642 1.00 0.00 C ATOM 1121 O TYR A 76 8.055 10.497 -5.614 1.00 0.00 O ATOM 1122 CB TYR A 76 5.843 8.344 -7.081 1.00 0.00 C ATOM 1123 CG TYR A 76 5.276 8.478 -8.495 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.138 9.727 -9.067 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.902 7.352 -9.198 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.604 9.854 -10.398 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.368 7.478 -10.530 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.246 8.723 -11.064 1.00 0.00 C ATOM 1129 OH TYR A 76 3.742 8.843 -12.322 1.00 0.00 O ATOM 0 H TYR A 76 7.406 6.561 -7.002 1.00 0.00 H new ATOM 0 HA TYR A 76 7.683 9.317 -7.772 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.668 7.329 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.296 9.013 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.431 10.609 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.010 6.375 -8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.490 10.825 -10.857 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.071 6.604 -11.091 1.00 0.00 H new ATOM 0 HH TYR A 76 3.531 7.954 -12.676 1.00 0.00 H new ATOM 1139 N ILE A 77 7.333 8.627 -4.567 1.00 0.00 N ATOM 1140 CA ILE A 77 7.543 9.159 -3.232 1.00 0.00 C ATOM 1141 C ILE A 77 8.863 8.623 -2.674 1.00 0.00 C ATOM 1142 O ILE A 77 8.972 7.439 -2.359 1.00 0.00 O ATOM 1143 CB ILE A 77 6.334 8.864 -2.341 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.038 9.338 -3.001 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.521 9.466 -0.946 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.880 10.854 -2.872 1.00 0.00 C ATOM 0 H ILE A 77 6.964 7.677 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 77 7.629 10.245 -3.265 1.00 0.00 H new ATOM 0 HB ILE A 77 6.256 7.784 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.038 9.057 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.186 8.839 -2.538 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.648 9.242 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.410 9.039 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.639 10.546 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.951 11.165 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.856 11.129 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.721 11.350 -3.357 1.00 0.00 H new ATOM 1158 N PRO A 78 9.858 9.544 -2.568 1.00 0.00 N ATOM 1159 CA PRO A 78 11.167 9.175 -2.055 1.00 0.00 C ATOM 1160 C PRO A 78 11.128 8.992 -0.537 1.00 0.00 C ATOM 1161 O PRO A 78 12.127 8.607 0.071 1.00 0.00 O ATOM 1162 CB PRO A 78 12.092 10.299 -2.495 1.00 0.00 C ATOM 1163 CG PRO A 78 11.190 11.475 -2.831 1.00 0.00 C ATOM 1164 CD PRO A 78 9.765 10.954 -2.933 1.00 0.00 C ATOM 0 HA PRO A 78 11.516 8.217 -2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.794 10.559 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.684 10.001 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.262 12.243 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.497 11.935 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.097 11.494 -2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.370 11.077 -3.941 1.00 0.00 H new ATOM 1172 N GLU A 79 9.966 9.274 0.032 1.00 0.00 N ATOM 1173 CA GLU A 79 9.784 9.144 1.468 1.00 0.00 C ATOM 1174 C GLU A 79 9.762 7.668 1.868 1.00 0.00 C ATOM 1175 O GLU A 79 10.715 7.169 2.466 1.00 0.00 O ATOM 1176 CB GLU A 79 8.510 9.857 1.925 1.00 0.00 C ATOM 1177 CG GLU A 79 8.604 11.363 1.679 1.00 0.00 C ATOM 1178 CD GLU A 79 8.105 12.150 2.894 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.270 11.625 4.017 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.570 13.257 2.671 1.00 0.00 O ATOM 0 H GLU A 79 9.140 9.592 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 79 10.627 9.622 1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.651 9.451 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.344 9.668 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.637 11.636 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.014 11.629 0.802 1.00 0.00 H new ATOM 1187 N VAL A 80 8.664 7.011 1.524 1.00 0.00 N ATOM 1188 CA VAL A 80 8.506 5.602 1.841 1.00 0.00 C ATOM 1189 C VAL A 80 9.767 4.844 1.421 1.00 0.00 C ATOM 1190 O VAL A 80 10.562 5.346 0.629 1.00 0.00 O ATOM 1191 CB VAL A 80 7.235 5.057 1.185 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.050 5.638 -0.218 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.247 3.528 1.150 1.00 0.00 C ATOM 0 H VAL A 80 7.876 7.428 1.029 1.00 0.00 H new ATOM 0 HA VAL A 80 8.386 5.464 2.916 1.00 0.00 H new ATOM 0 HB VAL A 80 6.385 5.370 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.140 5.235 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.973 6.723 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.905 5.371 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.333 3.168 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.109 3.184 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.308 3.141 2.167 1.00 0.00 H new ATOM 1203 N GLU A 81 9.909 3.646 1.969 1.00 0.00 N ATOM 1204 CA GLU A 81 11.059 2.814 1.661 1.00 0.00 C ATOM 1205 C GLU A 81 10.610 1.390 1.327 1.00 0.00 C ATOM 1206 O GLU A 81 10.890 0.885 0.241 1.00 0.00 O ATOM 1207 CB GLU A 81 12.063 2.816 2.816 1.00 0.00 C ATOM 1208 CG GLU A 81 12.958 4.055 2.761 1.00 0.00 C ATOM 1209 CD GLU A 81 14.436 3.669 2.853 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.908 3.503 3.998 1.00 0.00 O ATOM 1211 OE2 GLU A 81 15.059 3.547 1.777 1.00 0.00 O ATOM 0 H GLU A 81 9.246 3.232 2.625 1.00 0.00 H new ATOM 0 HA GLU A 81 11.560 3.230 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.530 2.790 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.677 1.917 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.777 4.597 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.703 4.729 3.579 1.00 0.00 H new ATOM 1218 N GLY A 82 9.920 0.783 2.281 1.00 0.00 N ATOM 1219 CA GLY A 82 9.429 -0.574 2.102 1.00 0.00 C ATOM 1220 C GLY A 82 7.926 -0.654 2.376 1.00 0.00 C ATOM 1221 O GLY A 82 7.307 0.339 2.757 1.00 0.00 O ATOM 0 H GLY A 82 9.689 1.205 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.635 -0.908 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.961 -1.248 2.773 1.00 0.00 H new ATOM 1225 N VAL A 83 7.381 -1.843 2.169 1.00 0.00 N ATOM 1226 CA VAL A 83 5.962 -2.065 2.388 1.00 0.00 C ATOM 1227 C VAL A 83 5.777 -3.237 3.354 1.00 0.00 C ATOM 1228 O VAL A 83 6.698 -4.025 3.564 1.00 0.00 O ATOM 1229 CB VAL A 83 5.253 -2.277 1.049 1.00 0.00 C ATOM 1230 CG1 VAL A 83 5.632 -1.182 0.048 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.554 -3.666 0.482 1.00 0.00 C ATOM 0 H VAL A 83 7.897 -2.664 1.852 1.00 0.00 H new ATOM 0 HA VAL A 83 5.505 -1.189 2.848 1.00 0.00 H new ATOM 0 HB VAL A 83 4.179 -2.213 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.114 -1.356 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.343 -0.209 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.709 -1.200 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.038 -3.790 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.628 -3.772 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.211 -4.427 1.183 1.00 0.00 H new ATOM 1241 N GLU A 84 4.580 -3.314 3.916 1.00 0.00 N ATOM 1242 CA GLU A 84 4.262 -4.376 4.856 1.00 0.00 C ATOM 1243 C GLU A 84 2.760 -4.671 4.836 1.00 0.00 C ATOM 1244 O GLU A 84 1.944 -3.752 4.801 1.00 0.00 O ATOM 1245 CB GLU A 84 4.730 -4.018 6.268 1.00 0.00 C ATOM 1246 CG GLU A 84 5.721 -5.058 6.796 1.00 0.00 C ATOM 1247 CD GLU A 84 4.992 -6.193 7.517 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.998 -6.686 6.941 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.444 -6.542 8.629 1.00 0.00 O ATOM 0 H GLU A 84 3.819 -2.659 3.739 1.00 0.00 H new ATOM 0 HA GLU A 84 4.794 -5.276 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.199 -3.034 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.871 -3.957 6.936 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.304 -5.463 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.425 -4.581 7.479 1.00 0.00 H new ATOM 1256 N GLN A 85 2.442 -5.957 4.857 1.00 0.00 N ATOM 1257 CA GLN A 85 1.053 -6.384 4.842 1.00 0.00 C ATOM 1258 C GLN A 85 0.517 -6.498 6.271 1.00 0.00 C ATOM 1259 O GLN A 85 0.505 -7.584 6.848 1.00 0.00 O ATOM 1260 CB GLN A 85 0.896 -7.707 4.090 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.582 -8.071 3.923 1.00 0.00 C ATOM 1262 CD GLN A 85 -0.899 -9.404 4.605 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.357 -10.445 4.270 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.804 -9.313 5.575 1.00 0.00 N ATOM 0 H GLN A 85 3.122 -6.717 4.884 1.00 0.00 H new ATOM 0 HA GLN A 85 0.467 -5.632 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.368 -7.631 3.111 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.411 -8.501 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.204 -7.284 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.827 -8.133 2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.218 -8.409 5.803 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.085 -10.147 6.091 1.00 0.00 H new ATOM 1273 N VAL A 86 0.087 -5.363 6.799 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.450 -5.321 8.149 1.00 0.00 C ATOM 1275 C VAL A 86 -1.512 -6.411 8.304 1.00 0.00 C ATOM 1276 O VAL A 86 -2.587 -6.325 7.713 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.982 -3.920 8.458 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.164 -2.955 8.772 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.842 -3.394 7.307 1.00 0.00 C ATOM 0 H VAL A 86 0.099 -4.464 6.317 1.00 0.00 H new ATOM 0 HA VAL A 86 0.334 -5.524 8.878 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.614 -3.989 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.242 -1.967 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.718 -3.317 9.638 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.833 -2.893 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.208 -2.397 7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.243 -3.348 6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.689 -4.062 7.150 1.00 0.00 H new