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 Single : A 17 MET CE :methyl 162:sc= -0.433 (180deg=-1.56!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 120:sc= -3.53 USER MOD Single : A 29 THR OG1 : rot 177:sc= 0.776 USER MOD Single : A 31 GLN : amide:sc= -17.2! C(o=-17!,f=-25!) USER MOD Single : A 39 TYR OH : rot -95:sc= -3.1! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc=-0.00458 X(o=-0.0046,f=-0.0046) USER MOD Single : A 71 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.71) USER MOD Single : A 72 MET CE :methyl -126:sc= 0 (180deg=-0.0151) USER MOD Single : A 74 GLN : amide:sc= -3.92 K(o=-3.9,f=-1.8) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.361 X(o=-0.36,f=0.13) USER MOD ----------------------------------------------------------------- ATOM 107 N ASP A 11 -2.714 13.074 9.532 1.00 0.00 N ATOM 108 CA ASP A 11 -2.077 12.838 8.248 1.00 0.00 C ATOM 109 C ASP A 11 -1.100 13.978 7.951 1.00 0.00 C ATOM 110 O ASP A 11 -1.303 15.106 8.397 1.00 0.00 O ATOM 111 CB ASP A 11 -3.109 12.794 7.120 1.00 0.00 C ATOM 112 CG ASP A 11 -4.242 13.815 7.240 1.00 0.00 C ATOM 113 OD1 ASP A 11 -3.974 14.893 7.812 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.348 13.495 6.755 1.00 0.00 O ATOM 0 HA ASP A 11 -1.559 11.880 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.596 12.953 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.543 11.795 7.084 1.00 0.00 H new ATOM 119 N ASP A 12 -0.062 13.645 7.199 1.00 0.00 N ATOM 120 CA ASP A 12 0.946 14.626 6.837 1.00 0.00 C ATOM 121 C ASP A 12 0.839 14.934 5.342 1.00 0.00 C ATOM 122 O ASP A 12 0.050 14.312 4.632 1.00 0.00 O ATOM 123 CB ASP A 12 2.355 14.096 7.110 1.00 0.00 C ATOM 124 CG ASP A 12 3.445 15.166 7.188 1.00 0.00 C ATOM 125 OD1 ASP A 12 3.484 15.862 8.226 1.00 0.00 O ATOM 126 OD2 ASP A 12 4.216 15.264 6.208 1.00 0.00 O ATOM 0 H ASP A 12 0.103 12.708 6.830 1.00 0.00 H new ATOM 0 HA ASP A 12 0.775 15.521 7.436 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.343 13.542 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.619 13.387 6.325 1.00 0.00 H new ATOM 131 N GLU A 13 1.642 15.894 4.909 1.00 0.00 N ATOM 132 CA GLU A 13 1.648 16.292 3.512 1.00 0.00 C ATOM 133 C GLU A 13 2.124 15.135 2.631 1.00 0.00 C ATOM 134 O GLU A 13 1.905 15.139 1.421 1.00 0.00 O ATOM 135 CB GLU A 13 2.513 17.536 3.298 1.00 0.00 C ATOM 136 CG GLU A 13 1.902 18.755 3.993 1.00 0.00 C ATOM 137 CD GLU A 13 2.981 19.585 4.693 1.00 0.00 C ATOM 138 OE1 GLU A 13 3.538 20.476 4.017 1.00 0.00 O ATOM 139 OE2 GLU A 13 3.223 19.308 5.888 1.00 0.00 O ATOM 0 H GLU A 13 2.294 16.408 5.502 1.00 0.00 H new ATOM 0 HA GLU A 13 0.628 16.546 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.516 17.357 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.614 17.734 2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.381 19.372 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.159 18.429 4.721 1.00 0.00 H new ATOM 146 N VAL A 14 2.768 14.171 3.275 1.00 0.00 N ATOM 147 CA VAL A 14 3.277 13.010 2.565 1.00 0.00 C ATOM 148 C VAL A 14 2.152 11.985 2.400 1.00 0.00 C ATOM 149 O VAL A 14 2.087 11.287 1.388 1.00 0.00 O ATOM 150 CB VAL A 14 4.498 12.445 3.294 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.081 11.691 4.559 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.324 11.549 2.369 1.00 0.00 C ATOM 0 H VAL A 14 2.948 14.171 4.279 1.00 0.00 H new ATOM 0 HA VAL A 14 3.612 13.289 1.566 1.00 0.00 H new ATOM 0 HB VAL A 14 5.126 13.284 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.967 11.300 5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.556 12.370 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.422 10.866 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.186 11.161 2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.709 10.718 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.667 12.129 1.512 1.00 0.00 H new ATOM 162 N VAL A 15 1.296 11.926 3.408 1.00 0.00 N ATOM 163 CA VAL A 15 0.178 10.999 3.388 1.00 0.00 C ATOM 164 C VAL A 15 -0.747 11.347 2.219 1.00 0.00 C ATOM 165 O VAL A 15 -1.009 10.507 1.359 1.00 0.00 O ATOM 166 CB VAL A 15 -0.538 11.011 4.741 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.936 10.399 4.626 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.290 10.290 5.804 1.00 0.00 C ATOM 0 H VAL A 15 1.354 12.506 4.245 1.00 0.00 H new ATOM 0 HA VAL A 15 0.531 9.980 3.232 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.651 12.050 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.423 10.419 5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.527 10.973 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.855 9.368 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.241 10.313 6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.449 9.255 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.254 10.788 5.914 1.00 0.00 H new ATOM 178 N ALA A 16 -1.214 12.586 2.225 1.00 0.00 N ATOM 179 CA ALA A 16 -2.104 13.055 1.177 1.00 0.00 C ATOM 180 C ALA A 16 -1.538 12.649 -0.186 1.00 0.00 C ATOM 181 O ALA A 16 -2.292 12.359 -1.113 1.00 0.00 O ATOM 182 CB ALA A 16 -2.288 14.569 1.303 1.00 0.00 C ATOM 0 H ALA A 16 -0.993 13.280 2.939 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.088 12.597 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.956 14.921 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.718 14.803 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.321 15.062 1.206 1.00 0.00 H new ATOM 188 N MET A 17 -0.216 12.641 -0.263 1.00 0.00 N ATOM 189 CA MET A 17 0.460 12.274 -1.496 1.00 0.00 C ATOM 190 C MET A 17 0.307 10.780 -1.782 1.00 0.00 C ATOM 191 O MET A 17 -0.192 10.393 -2.838 1.00 0.00 O ATOM 192 CB MET A 17 1.945 12.625 -1.390 1.00 0.00 C ATOM 193 CG MET A 17 2.390 13.492 -2.568 1.00 0.00 C ATOM 194 SD MET A 17 3.451 14.807 -1.994 1.00 0.00 S ATOM 195 CE MET A 17 5.048 14.117 -2.396 1.00 0.00 C ATOM 0 H MET A 17 0.406 12.883 0.509 1.00 0.00 H new ATOM 0 HA MET A 17 0.005 12.830 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.131 13.153 -0.455 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.537 11.710 -1.363 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.918 12.881 -3.300 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.519 13.911 -3.071 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.795 14.911 -2.406 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.321 13.372 -1.649 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.004 13.647 -3.379 1.00 0.00 H new ATOM 205 N ILE A 18 0.746 9.978 -0.823 1.00 0.00 N ATOM 206 CA ILE A 18 0.665 8.534 -0.957 1.00 0.00 C ATOM 207 C ILE A 18 -0.785 8.133 -1.236 1.00 0.00 C ATOM 208 O ILE A 18 -1.056 7.380 -2.170 1.00 0.00 O ATOM 209 CB ILE A 18 1.268 7.846 0.270 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.776 8.089 0.348 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.926 6.356 0.286 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.214 8.353 1.790 1.00 0.00 C ATOM 0 H ILE A 18 1.160 10.302 0.051 1.00 0.00 H new ATOM 0 HA ILE A 18 1.259 8.197 -1.806 1.00 0.00 H new ATOM 0 HB ILE A 18 0.824 8.287 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.308 7.223 -0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.044 8.939 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.366 5.891 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.157 6.231 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.324 5.882 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.290 8.523 1.818 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.698 9.234 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.966 7.491 2.409 1.00 0.00 H new ATOM 224 N LYS A 19 -1.679 8.654 -0.409 1.00 0.00 N ATOM 225 CA LYS A 19 -3.094 8.360 -0.555 1.00 0.00 C ATOM 226 C LYS A 19 -3.456 8.340 -2.041 1.00 0.00 C ATOM 227 O LYS A 19 -4.133 7.425 -2.507 1.00 0.00 O ATOM 228 CB LYS A 19 -3.933 9.340 0.268 1.00 0.00 C ATOM 229 CG LYS A 19 -4.579 8.636 1.465 1.00 0.00 C ATOM 230 CD LYS A 19 -5.244 9.648 2.401 1.00 0.00 C ATOM 231 CE LYS A 19 -5.320 9.106 3.829 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.393 9.788 4.587 1.00 0.00 N ATOM 0 H LYS A 19 -1.451 9.278 0.365 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.320 7.370 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.304 10.158 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.707 9.780 -0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.320 7.918 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.823 8.072 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.681 10.581 2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.247 9.877 2.041 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.508 8.033 3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.363 9.252 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.430 9.408 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.197 10.809 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.306 9.627 4.116 1.00 0.00 H new ATOM 246 N GLU A 20 -2.989 9.361 -2.745 1.00 0.00 N ATOM 247 CA GLU A 20 -3.255 9.473 -4.169 1.00 0.00 C ATOM 248 C GLU A 20 -2.674 8.269 -4.913 1.00 0.00 C ATOM 249 O GLU A 20 -3.393 7.564 -5.620 1.00 0.00 O ATOM 250 CB GLU A 20 -2.700 10.784 -4.730 1.00 0.00 C ATOM 251 CG GLU A 20 -3.662 11.394 -5.751 1.00 0.00 C ATOM 252 CD GLU A 20 -3.117 11.247 -7.173 1.00 0.00 C ATOM 253 OE1 GLU A 20 -1.883 11.368 -7.323 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.948 11.016 -8.078 1.00 0.00 O ATOM 0 H GLU A 20 -2.428 10.118 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.335 9.481 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.532 11.490 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.733 10.603 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.634 10.905 -5.678 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.818 12.449 -5.524 1.00 0.00 H new ATOM 261 N LEU A 21 -1.377 8.069 -4.729 1.00 0.00 N ATOM 262 CA LEU A 21 -0.691 6.963 -5.374 1.00 0.00 C ATOM 263 C LEU A 21 -1.410 5.655 -5.035 1.00 0.00 C ATOM 264 O LEU A 21 -1.250 4.656 -5.734 1.00 0.00 O ATOM 265 CB LEU A 21 0.793 6.962 -5.001 1.00 0.00 C ATOM 266 CG LEU A 21 1.771 7.243 -6.144 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.200 7.393 -5.618 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.670 6.170 -7.229 1.00 0.00 C ATOM 0 H LEU A 21 -0.783 8.655 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.724 7.075 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.952 7.707 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.038 5.992 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 21 1.495 8.192 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.875 7.592 -6.450 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.242 8.221 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.502 6.473 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.376 6.394 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.905 5.196 -6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.657 6.154 -7.632 1.00 0.00 H new ATOM 280 N LEU A 22 -2.187 5.704 -3.963 1.00 0.00 N ATOM 281 CA LEU A 22 -2.931 4.536 -3.523 1.00 0.00 C ATOM 282 C LEU A 22 -4.249 4.458 -4.294 1.00 0.00 C ATOM 283 O LEU A 22 -4.844 3.387 -4.407 1.00 0.00 O ATOM 284 CB LEU A 22 -3.107 4.555 -2.004 1.00 0.00 C ATOM 285 CG LEU A 22 -1.941 3.995 -1.187 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.157 2.514 -0.867 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.607 4.241 -1.894 1.00 0.00 C ATOM 0 H LEU A 22 -2.318 6.535 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.377 3.624 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.283 5.584 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.004 3.989 -1.755 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.903 4.527 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.314 2.141 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.075 2.396 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.236 1.949 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.205 3.833 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.616 3.753 -2.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.457 5.313 -2.026 1.00 0.00 H new ATOM 299 N ASP A 23 -4.669 5.606 -4.805 1.00 0.00 N ATOM 300 CA ASP A 23 -5.907 5.680 -5.563 1.00 0.00 C ATOM 301 C ASP A 23 -5.587 5.668 -7.059 1.00 0.00 C ATOM 302 O ASP A 23 -6.348 5.123 -7.857 1.00 0.00 O ATOM 303 CB ASP A 23 -6.666 6.972 -5.253 1.00 0.00 C ATOM 304 CG ASP A 23 -7.908 6.798 -4.376 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.940 6.369 -4.933 1.00 0.00 O ATOM 306 OD2 ASP A 23 -7.795 7.098 -3.168 1.00 0.00 O ATOM 0 H ASP A 23 -4.174 6.493 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.523 4.824 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.986 7.666 -4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.966 7.434 -6.194 1.00 0.00 H new ATOM 311 N THR A 24 -4.458 6.275 -7.395 1.00 0.00 N ATOM 312 CA THR A 24 -4.027 6.341 -8.781 1.00 0.00 C ATOM 313 C THR A 24 -4.387 5.047 -9.513 1.00 0.00 C ATOM 314 O THR A 24 -4.842 5.083 -10.655 1.00 0.00 O ATOM 315 CB THR A 24 -2.528 6.651 -8.796 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.003 5.879 -7.719 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.226 8.098 -8.399 1.00 0.00 C ATOM 0 H THR A 24 -3.829 6.726 -6.731 1.00 0.00 H new ATOM 0 HA THR A 24 -4.543 7.136 -9.319 1.00 0.00 H new ATOM 0 HB THR A 24 -2.127 6.456 -9.790 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.338 5.247 -8.063 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.149 8.265 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.716 8.777 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.597 8.284 -7.391 1.00 0.00 H new ATOM 325 N ARG A 25 -4.170 3.936 -8.826 1.00 0.00 N ATOM 326 CA ARG A 25 -4.466 2.633 -9.396 1.00 0.00 C ATOM 327 C ARG A 25 -3.675 1.542 -8.670 1.00 0.00 C ATOM 328 O ARG A 25 -2.982 0.747 -9.302 1.00 0.00 O ATOM 329 CB ARG A 25 -4.122 2.594 -10.887 1.00 0.00 C ATOM 330 CG ARG A 25 -2.822 3.348 -11.170 1.00 0.00 C ATOM 331 CD ARG A 25 -1.891 2.521 -12.060 1.00 0.00 C ATOM 332 NE ARG A 25 -1.966 3.003 -13.456 1.00 0.00 N ATOM 333 CZ ARG A 25 -1.319 2.435 -14.484 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.544 1.362 -14.275 1.00 0.00 N ATOM 335 NH2 ARG A 25 -1.445 2.941 -15.718 1.00 0.00 N ATOM 0 H ARG A 25 -3.792 3.911 -7.879 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.534 2.454 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.025 1.559 -11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.935 3.035 -11.463 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.047 4.298 -11.656 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.321 3.581 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.866 2.594 -11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.171 1.469 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.547 3.819 -13.649 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.447 0.978 -13.335 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.051 0.929 -15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.033 3.759 -15.876 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.952 2.508 -16.499 1.00 0.00 H new ATOM 349 N ILE A 26 -3.806 1.541 -7.351 1.00 0.00 N ATOM 350 CA ILE A 26 -3.113 0.562 -6.531 1.00 0.00 C ATOM 351 C ILE A 26 -4.140 -0.345 -5.850 1.00 0.00 C ATOM 352 O ILE A 26 -4.000 -1.567 -5.864 1.00 0.00 O ATOM 353 CB ILE A 26 -2.162 1.257 -5.555 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.957 1.848 -6.289 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.741 0.308 -4.430 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.171 2.183 -5.310 1.00 0.00 C ATOM 0 H ILE A 26 -4.382 2.203 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.484 -0.077 -7.151 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.695 2.088 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.597 1.139 -7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.258 2.748 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.065 0.827 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.624 -0.022 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.234 -0.558 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.016 2.602 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.185 2.910 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.486 1.276 -4.794 1.00 0.00 H new ATOM 368 N ARG A 27 -5.150 0.288 -5.271 1.00 0.00 N ATOM 369 CA ARG A 27 -6.199 -0.446 -4.585 1.00 0.00 C ATOM 370 C ARG A 27 -7.204 -1.002 -5.597 1.00 0.00 C ATOM 371 O ARG A 27 -7.615 -2.158 -5.498 1.00 0.00 O ATOM 372 CB ARG A 27 -6.934 0.448 -3.585 1.00 0.00 C ATOM 373 CG ARG A 27 -5.949 1.317 -2.800 1.00 0.00 C ATOM 374 CD ARG A 27 -6.564 2.679 -2.470 1.00 0.00 C ATOM 375 NE ARG A 27 -7.272 2.613 -1.172 1.00 0.00 N ATOM 376 CZ ARG A 27 -7.911 3.648 -0.611 1.00 0.00 C ATOM 377 NH1 ARG A 27 -7.935 4.837 -1.232 1.00 0.00 N ATOM 378 NH2 ARG A 27 -8.526 3.497 0.570 1.00 0.00 N ATOM 0 H ARG A 27 -5.264 1.302 -5.263 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.730 -1.267 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.644 1.084 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.510 -0.169 -2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.665 0.809 -1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.038 1.456 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.784 3.439 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.257 2.975 -3.257 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.273 1.723 -0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.467 4.952 -2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.421 5.625 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.508 2.593 1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.012 4.286 0.996 1.00 0.00 H new ATOM 392 N PRO A 28 -7.581 -0.132 -6.571 1.00 0.00 N ATOM 393 CA PRO A 28 -8.530 -0.525 -7.598 1.00 0.00 C ATOM 394 C PRO A 28 -7.874 -1.446 -8.628 1.00 0.00 C ATOM 395 O PRO A 28 -8.509 -1.849 -9.601 1.00 0.00 O ATOM 396 CB PRO A 28 -9.021 0.782 -8.199 1.00 0.00 C ATOM 397 CG PRO A 28 -7.993 1.833 -7.812 1.00 0.00 C ATOM 398 CD PRO A 28 -7.115 1.243 -6.719 1.00 0.00 C ATOM 0 HA PRO A 28 -9.363 -1.105 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.110 0.704 -9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.008 1.041 -7.816 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.391 2.115 -8.676 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.486 2.738 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.061 1.276 -6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.217 1.798 -5.787 1.00 0.00 H new ATOM 406 N THR A 29 -6.610 -1.754 -8.378 1.00 0.00 N ATOM 407 CA THR A 29 -5.859 -2.621 -9.271 1.00 0.00 C ATOM 408 C THR A 29 -5.876 -4.061 -8.754 1.00 0.00 C ATOM 409 O THR A 29 -6.478 -4.939 -9.371 1.00 0.00 O ATOM 410 CB THR A 29 -4.451 -2.044 -9.418 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.654 -0.791 -10.066 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.592 -2.839 -10.404 1.00 0.00 C ATOM 0 H THR A 29 -6.086 -1.419 -7.569 1.00 0.00 H new ATOM 0 HA THR A 29 -6.314 -2.659 -10.261 1.00 0.00 H new ATOM 0 HB THR A 29 -3.963 -2.027 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.797 -0.324 -10.150 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.602 -2.387 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.498 -3.868 -10.057 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.063 -2.829 -11.387 1.00 0.00 H new ATOM 420 N VAL A 30 -5.206 -4.259 -7.628 1.00 0.00 N ATOM 421 CA VAL A 30 -5.136 -5.577 -7.021 1.00 0.00 C ATOM 422 C VAL A 30 -6.553 -6.077 -6.732 1.00 0.00 C ATOM 423 O VAL A 30 -6.823 -7.274 -6.823 1.00 0.00 O ATOM 424 CB VAL A 30 -4.252 -5.532 -5.774 1.00 0.00 C ATOM 425 CG1 VAL A 30 -4.968 -4.828 -4.619 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.807 -6.938 -5.366 1.00 0.00 C ATOM 0 H VAL A 30 -4.707 -3.529 -7.120 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.674 -6.289 -7.705 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.360 -4.955 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.317 -4.810 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.212 -3.807 -4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.885 -5.366 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.180 -6.877 -4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.684 -7.549 -5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.240 -7.391 -6.180 1.00 0.00 H new ATOM 436 N GLN A 31 -7.420 -5.136 -6.391 1.00 0.00 N ATOM 437 CA GLN A 31 -8.803 -5.466 -6.089 1.00 0.00 C ATOM 438 C GLN A 31 -9.431 -6.236 -7.251 1.00 0.00 C ATOM 439 O GLN A 31 -10.400 -6.971 -7.063 1.00 0.00 O ATOM 440 CB GLN A 31 -9.609 -4.206 -5.766 1.00 0.00 C ATOM 441 CG GLN A 31 -9.554 -3.888 -4.270 1.00 0.00 C ATOM 442 CD GLN A 31 -8.124 -3.997 -3.739 1.00 0.00 C ATOM 443 OE1 GLN A 31 -7.466 -5.017 -3.857 1.00 0.00 O ATOM 444 NE2 GLN A 31 -7.680 -2.890 -3.150 1.00 0.00 N ATOM 0 H GLN A 31 -7.192 -4.145 -6.317 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.819 -6.104 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.217 -3.363 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.645 -4.344 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.935 -2.882 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.202 -4.574 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.283 -2.070 -3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.736 -2.861 -2.764 1.00 0.00 H new ATOM 453 N GLU A 32 -8.855 -6.042 -8.428 1.00 0.00 N ATOM 454 CA GLU A 32 -9.346 -6.710 -9.621 1.00 0.00 C ATOM 455 C GLU A 32 -8.928 -8.181 -9.618 1.00 0.00 C ATOM 456 O GLU A 32 -9.522 -9.001 -10.316 1.00 0.00 O ATOM 457 CB GLU A 32 -8.855 -6.003 -10.887 1.00 0.00 C ATOM 458 CG GLU A 32 -10.025 -5.643 -11.804 1.00 0.00 C ATOM 459 CD GLU A 32 -9.529 -5.255 -13.199 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.178 -6.186 -13.956 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.513 -4.036 -13.476 1.00 0.00 O ATOM 0 H GLU A 32 -8.052 -5.431 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.435 -6.663 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.311 -5.099 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.156 -6.648 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.707 -6.490 -11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.590 -4.817 -11.372 1.00 0.00 H new ATOM 468 N ASP A 33 -7.909 -8.471 -8.823 1.00 0.00 N ATOM 469 CA ASP A 33 -7.404 -9.829 -8.718 1.00 0.00 C ATOM 470 C ASP A 33 -7.763 -10.398 -7.344 1.00 0.00 C ATOM 471 O ASP A 33 -6.944 -11.060 -6.709 1.00 0.00 O ATOM 472 CB ASP A 33 -5.881 -9.864 -8.861 1.00 0.00 C ATOM 473 CG ASP A 33 -5.282 -11.256 -9.070 1.00 0.00 C ATOM 474 OD1 ASP A 33 -5.192 -11.992 -8.063 1.00 0.00 O ATOM 475 OD2 ASP A 33 -4.929 -11.553 -10.232 1.00 0.00 O ATOM 0 H ASP A 33 -7.419 -7.788 -8.245 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.855 -10.418 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.596 -9.232 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.437 -9.425 -7.968 1.00 0.00 H new ATOM 480 N GLY A 34 -8.989 -10.119 -6.925 1.00 0.00 N ATOM 481 CA GLY A 34 -9.467 -10.595 -5.638 1.00 0.00 C ATOM 482 C GLY A 34 -8.472 -10.256 -4.526 1.00 0.00 C ATOM 483 O GLY A 34 -7.559 -11.031 -4.247 1.00 0.00 O ATOM 0 H GLY A 34 -9.666 -9.569 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.434 -10.144 -5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.620 -11.674 -5.679 1.00 0.00 H new ATOM 487 N GLY A 35 -8.684 -9.097 -3.919 1.00 0.00 N ATOM 488 CA GLY A 35 -7.818 -8.646 -2.843 1.00 0.00 C ATOM 489 C GLY A 35 -8.252 -7.272 -2.328 1.00 0.00 C ATOM 490 O GLY A 35 -9.043 -6.586 -2.974 1.00 0.00 O ATOM 0 H GLY A 35 -9.443 -8.457 -4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.841 -9.368 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.788 -8.597 -3.197 1.00 0.00 H new ATOM 494 N ASP A 36 -7.716 -6.913 -1.171 1.00 0.00 N ATOM 495 CA ASP A 36 -8.039 -5.633 -0.563 1.00 0.00 C ATOM 496 C ASP A 36 -6.756 -4.986 -0.035 1.00 0.00 C ATOM 497 O ASP A 36 -5.975 -5.629 0.665 1.00 0.00 O ATOM 498 CB ASP A 36 -8.998 -5.811 0.616 1.00 0.00 C ATOM 499 CG ASP A 36 -10.394 -5.219 0.407 1.00 0.00 C ATOM 500 OD1 ASP A 36 -11.198 -5.891 -0.274 1.00 0.00 O ATOM 501 OD2 ASP A 36 -10.625 -4.109 0.934 1.00 0.00 O ATOM 0 H ASP A 36 -7.061 -7.485 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.511 -5.008 -1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.099 -6.876 0.826 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.553 -5.353 1.499 1.00 0.00 H new ATOM 506 N VAL A 37 -6.578 -3.724 -0.394 1.00 0.00 N ATOM 507 CA VAL A 37 -5.403 -2.983 0.035 1.00 0.00 C ATOM 508 C VAL A 37 -5.844 -1.685 0.716 1.00 0.00 C ATOM 509 O VAL A 37 -6.420 -0.808 0.075 1.00 0.00 O ATOM 510 CB VAL A 37 -4.471 -2.747 -1.154 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.733 -1.383 -1.795 1.00 0.00 C ATOM 512 CG2 VAL A 37 -3.005 -2.883 -0.737 1.00 0.00 C ATOM 0 H VAL A 37 -7.227 -3.195 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.835 -3.557 0.767 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.681 -3.514 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.057 -1.241 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.764 -1.338 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.565 -0.597 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.363 -2.710 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.777 -2.149 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.829 -3.886 -0.349 1.00 0.00 H new ATOM 522 N ILE A 38 -5.556 -1.605 2.008 1.00 0.00 N ATOM 523 CA ILE A 38 -5.915 -0.430 2.782 1.00 0.00 C ATOM 524 C ILE A 38 -4.683 0.079 3.531 1.00 0.00 C ATOM 525 O ILE A 38 -4.176 -0.592 4.428 1.00 0.00 O ATOM 526 CB ILE A 38 -7.107 -0.732 3.693 1.00 0.00 C ATOM 527 CG1 ILE A 38 -8.152 -1.581 2.966 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.707 0.557 4.257 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.834 -3.071 3.093 1.00 0.00 C ATOM 0 H ILE A 38 -5.078 -2.335 2.537 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.242 0.374 2.123 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.749 -1.318 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.140 -1.380 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.184 -1.301 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.552 0.314 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.951 1.087 4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.046 1.190 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.592 -3.651 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.856 -3.273 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.827 -3.353 4.146 1.00 0.00 H new ATOM 541 N TYR A 39 -4.235 1.262 3.134 1.00 0.00 N ATOM 542 CA TYR A 39 -3.071 1.868 3.756 1.00 0.00 C ATOM 543 C TYR A 39 -3.425 2.461 5.122 1.00 0.00 C ATOM 544 O TYR A 39 -4.044 3.521 5.201 1.00 0.00 O ATOM 545 CB TYR A 39 -2.634 2.998 2.821 1.00 0.00 C ATOM 546 CG TYR A 39 -1.880 4.130 3.524 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.917 3.836 4.466 1.00 0.00 C ATOM 548 CD2 TYR A 39 -2.164 5.445 3.213 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.208 4.902 5.127 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.456 6.509 3.873 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.512 6.186 4.798 1.00 0.00 C ATOM 552 OH TYR A 39 0.157 7.192 5.422 1.00 0.00 O ATOM 0 H TYR A 39 -4.658 1.816 2.389 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.288 1.126 3.910 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.999 2.583 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.515 3.412 2.331 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.694 2.807 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.918 5.675 2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.548 4.686 5.867 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.669 7.542 3.639 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.366 7.506 6.189 1.00 0.00 H new ATOM 562 N ARG A 40 -3.018 1.750 6.163 1.00 0.00 N ATOM 563 CA ARG A 40 -3.284 2.192 7.521 1.00 0.00 C ATOM 564 C ARG A 40 -1.992 2.189 8.343 1.00 0.00 C ATOM 565 O ARG A 40 -1.632 1.173 8.934 1.00 0.00 O ATOM 566 CB ARG A 40 -4.315 1.289 8.202 1.00 0.00 C ATOM 567 CG ARG A 40 -5.374 0.818 7.204 1.00 0.00 C ATOM 568 CD ARG A 40 -6.379 1.932 6.901 1.00 0.00 C ATOM 569 NE ARG A 40 -7.687 1.615 7.516 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.788 2.363 7.366 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.745 3.477 6.622 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.932 1.998 7.961 1.00 0.00 N ATOM 0 H ARG A 40 -2.506 0.871 6.093 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.683 3.205 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.814 0.426 8.641 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.794 1.829 9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.891 0.498 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.898 -0.049 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.008 2.882 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.493 2.047 5.823 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.754 0.774 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.874 3.755 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.583 4.047 6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.964 1.151 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.770 2.567 7.847 1.00 0.00 H new ATOM 586 N GLY A 41 -1.334 3.338 8.353 1.00 0.00 N ATOM 587 CA GLY A 41 -0.091 3.481 9.092 1.00 0.00 C ATOM 588 C GLY A 41 1.085 3.727 8.145 1.00 0.00 C ATOM 589 O GLY A 41 1.217 3.053 7.126 1.00 0.00 O ATOM 0 H GLY A 41 -1.638 4.179 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.175 4.309 9.796 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.093 2.581 9.679 1.00 0.00 H new ATOM 593 N PHE A 42 1.910 4.695 8.517 1.00 0.00 N ATOM 594 CA PHE A 42 3.071 5.039 7.713 1.00 0.00 C ATOM 595 C PHE A 42 4.284 5.333 8.599 1.00 0.00 C ATOM 596 O PHE A 42 4.334 6.368 9.263 1.00 0.00 O ATOM 597 CB PHE A 42 2.712 6.300 6.924 1.00 0.00 C ATOM 598 CG PHE A 42 3.857 6.845 6.069 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.751 7.718 6.605 1.00 0.00 C ATOM 600 CD2 PHE A 42 3.981 6.456 4.771 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.813 8.225 5.810 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.043 6.964 3.977 1.00 0.00 C ATOM 603 CZ PHE A 42 5.937 7.837 4.513 1.00 0.00 C ATOM 0 H PHE A 42 1.798 5.252 9.364 1.00 0.00 H new ATOM 0 HA PHE A 42 3.328 4.208 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.861 6.082 6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.393 7.074 7.622 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.653 8.026 7.636 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.272 5.761 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.522 8.919 6.236 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.141 6.657 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.745 8.222 3.909 1.00 0.00 H new ATOM 613 N GLU A 43 5.230 4.407 8.580 1.00 0.00 N ATOM 614 CA GLU A 43 6.438 4.554 9.373 1.00 0.00 C ATOM 615 C GLU A 43 7.672 4.252 8.521 1.00 0.00 C ATOM 616 O GLU A 43 7.654 3.340 7.697 1.00 0.00 O ATOM 617 CB GLU A 43 6.393 3.657 10.612 1.00 0.00 C ATOM 618 CG GLU A 43 5.959 4.448 11.847 1.00 0.00 C ATOM 619 CD GLU A 43 4.667 3.878 12.437 1.00 0.00 C ATOM 620 OE1 GLU A 43 3.640 3.950 11.729 1.00 0.00 O ATOM 621 OE2 GLU A 43 4.737 3.384 13.583 1.00 0.00 O ATOM 0 H GLU A 43 5.185 3.551 8.027 1.00 0.00 H new ATOM 0 HA GLU A 43 6.501 5.587 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.701 2.832 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.376 3.219 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.749 4.420 12.597 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.810 5.494 11.580 1.00 0.00 H new ATOM 628 N ASP A 44 8.716 5.035 8.751 1.00 0.00 N ATOM 629 CA ASP A 44 9.957 4.863 8.014 1.00 0.00 C ATOM 630 C ASP A 44 9.637 4.535 6.554 1.00 0.00 C ATOM 631 O ASP A 44 10.332 3.736 5.928 1.00 0.00 O ATOM 632 CB ASP A 44 10.782 3.709 8.588 1.00 0.00 C ATOM 633 CG ASP A 44 12.285 3.791 8.315 1.00 0.00 C ATOM 634 OD1 ASP A 44 12.640 4.362 7.261 1.00 0.00 O ATOM 635 OD2 ASP A 44 13.046 3.281 9.165 1.00 0.00 O ATOM 0 H ASP A 44 8.728 5.790 9.437 1.00 0.00 H new ATOM 0 HA ASP A 44 10.527 5.789 8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.625 3.671 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.404 2.773 8.178 1.00 0.00 H new ATOM 640 N GLY A 45 8.586 5.169 6.055 1.00 0.00 N ATOM 641 CA GLY A 45 8.165 4.955 4.681 1.00 0.00 C ATOM 642 C GLY A 45 7.256 3.730 4.570 1.00 0.00 C ATOM 643 O GLY A 45 6.227 3.775 3.899 1.00 0.00 O ATOM 0 H GLY A 45 8.013 5.831 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.638 5.837 4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.040 4.821 4.045 1.00 0.00 H new ATOM 647 N ILE A 46 7.669 2.663 5.239 1.00 0.00 N ATOM 648 CA ILE A 46 6.905 1.428 5.225 1.00 0.00 C ATOM 649 C ILE A 46 5.414 1.755 5.332 1.00 0.00 C ATOM 650 O ILE A 46 4.914 2.036 6.421 1.00 0.00 O ATOM 651 CB ILE A 46 7.405 0.474 6.311 1.00 0.00 C ATOM 652 CG1 ILE A 46 8.843 0.029 6.030 1.00 0.00 C ATOM 653 CG2 ILE A 46 6.459 -0.716 6.475 1.00 0.00 C ATOM 654 CD1 ILE A 46 8.900 -0.905 4.820 1.00 0.00 C ATOM 0 H ILE A 46 8.524 2.629 5.795 1.00 0.00 H new ATOM 0 HA ILE A 46 7.050 0.902 4.282 1.00 0.00 H new ATOM 0 HB ILE A 46 7.413 1.011 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.469 0.903 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.248 -0.479 6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.839 -1.378 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.468 -0.357 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.395 -1.262 5.534 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.932 -1.207 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.292 -1.789 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.517 -0.386 3.941 1.00 0.00 H new ATOM 666 N VAL A 47 4.746 1.706 4.190 1.00 0.00 N ATOM 667 CA VAL A 47 3.322 1.994 4.142 1.00 0.00 C ATOM 668 C VAL A 47 2.541 0.758 4.592 1.00 0.00 C ATOM 669 O VAL A 47 2.509 -0.250 3.888 1.00 0.00 O ATOM 670 CB VAL A 47 2.931 2.472 2.742 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.499 3.010 2.727 1.00 0.00 C ATOM 672 CG2 VAL A 47 3.916 3.522 2.226 1.00 0.00 C ATOM 0 H VAL A 47 5.164 1.471 3.290 1.00 0.00 H new ATOM 0 HA VAL A 47 3.073 2.804 4.828 1.00 0.00 H new ATOM 0 HB VAL A 47 2.974 1.614 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.246 3.343 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.811 2.222 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.418 3.849 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.615 3.845 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.920 4.379 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.916 3.091 2.181 1.00 0.00 H new ATOM 682 N ARG A 48 1.932 0.876 5.763 1.00 0.00 N ATOM 683 CA ARG A 48 1.153 -0.220 6.314 1.00 0.00 C ATOM 684 C ARG A 48 -0.123 -0.429 5.497 1.00 0.00 C ATOM 685 O ARG A 48 -1.030 0.402 5.531 1.00 0.00 O ATOM 686 CB ARG A 48 0.777 0.051 7.772 1.00 0.00 C ATOM 687 CG ARG A 48 1.906 -0.368 8.717 1.00 0.00 C ATOM 688 CD ARG A 48 1.566 -0.019 10.167 1.00 0.00 C ATOM 689 NE ARG A 48 2.722 -0.313 11.043 1.00 0.00 N ATOM 690 CZ ARG A 48 3.034 -1.538 11.487 1.00 0.00 C ATOM 691 NH1 ARG A 48 2.280 -2.589 11.141 1.00 0.00 N ATOM 692 NH2 ARG A 48 4.102 -1.711 12.279 1.00 0.00 N ATOM 0 H ARG A 48 1.962 1.713 6.345 1.00 0.00 H new ATOM 0 HA ARG A 48 1.768 -1.119 6.269 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.562 1.111 7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.133 -0.493 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.080 -1.440 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.831 0.130 8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.300 1.035 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.697 -0.591 10.493 1.00 0.00 H new ATOM 0 HE ARG A 48 3.318 0.465 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.467 -2.457 10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.518 -3.521 11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.676 -0.910 12.543 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.340 -2.643 12.617 1.00 0.00 H new ATOM 706 N LEU A 49 -0.153 -1.544 4.780 1.00 0.00 N ATOM 707 CA LEU A 49 -1.302 -1.872 3.955 1.00 0.00 C ATOM 708 C LEU A 49 -1.863 -3.229 4.387 1.00 0.00 C ATOM 709 O LEU A 49 -1.113 -4.110 4.805 1.00 0.00 O ATOM 710 CB LEU A 49 -0.935 -1.803 2.471 1.00 0.00 C ATOM 711 CG LEU A 49 -0.146 -0.568 2.033 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.011 -0.955 1.109 1.00 0.00 C ATOM 713 CD2 LEU A 49 -1.066 0.473 1.393 1.00 0.00 C ATOM 0 H LEU A 49 0.601 -2.231 4.754 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.095 -1.138 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.353 -2.690 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.854 -1.849 1.887 1.00 0.00 H new ATOM 0 HG LEU A 49 0.290 -0.110 2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.555 -0.058 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.685 -1.632 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.618 -1.451 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.479 1.340 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.551 0.041 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.824 0.781 2.113 1.00 0.00 H new ATOM 725 N LYS A 50 -3.177 -3.354 4.270 1.00 0.00 N ATOM 726 CA LYS A 50 -3.847 -4.588 4.644 1.00 0.00 C ATOM 727 C LYS A 50 -4.125 -5.413 3.386 1.00 0.00 C ATOM 728 O LYS A 50 -5.272 -5.520 2.951 1.00 0.00 O ATOM 729 CB LYS A 50 -5.097 -4.290 5.473 1.00 0.00 C ATOM 730 CG LYS A 50 -5.770 -5.584 5.936 1.00 0.00 C ATOM 731 CD LYS A 50 -6.901 -5.291 6.923 1.00 0.00 C ATOM 732 CE LYS A 50 -7.979 -4.417 6.279 1.00 0.00 C ATOM 733 NZ LYS A 50 -9.190 -4.375 7.127 1.00 0.00 N ATOM 0 H LYS A 50 -3.795 -2.621 3.922 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.205 -5.191 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.828 -3.686 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.799 -3.703 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.165 -6.121 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.032 -6.234 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.343 -6.227 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.499 -4.789 7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.596 -3.407 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.232 -4.809 5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.910 -3.777 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.564 -5.338 7.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.948 -3.980 8.058 1.00 0.00 H new ATOM 747 N LEU A 51 -3.059 -5.974 2.835 1.00 0.00 N ATOM 748 CA LEU A 51 -3.175 -6.786 1.636 1.00 0.00 C ATOM 749 C LEU A 51 -3.691 -8.176 2.013 1.00 0.00 C ATOM 750 O LEU A 51 -3.133 -8.833 2.891 1.00 0.00 O ATOM 751 CB LEU A 51 -1.847 -6.809 0.874 1.00 0.00 C ATOM 752 CG LEU A 51 -1.621 -8.014 -0.041 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.882 -8.340 -0.842 1.00 0.00 C ATOM 754 CD2 LEU A 51 -0.407 -7.793 -0.947 1.00 0.00 C ATOM 0 H LEU A 51 -2.110 -5.882 3.197 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.903 -6.351 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.780 -5.903 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.034 -6.770 1.599 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.405 -8.881 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.693 -9.200 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.698 -8.570 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.155 -7.482 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.268 -8.664 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.570 -6.910 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.483 -7.647 -0.334 1.00 0.00 H new ATOM 988 N GLY A 68 6.914 -4.587 -8.096 1.00 0.00 N ATOM 989 CA GLY A 68 6.641 -3.545 -9.071 1.00 0.00 C ATOM 990 C GLY A 68 6.079 -2.294 -8.392 1.00 0.00 C ATOM 991 O GLY A 68 6.687 -1.225 -8.450 1.00 0.00 O ATOM 0 HA2 GLY A 68 7.557 -3.293 -9.606 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.930 -3.912 -9.812 1.00 0.00 H new ATOM 995 N ILE A 69 4.926 -2.468 -7.764 1.00 0.00 N ATOM 996 CA ILE A 69 4.275 -1.366 -7.075 1.00 0.00 C ATOM 997 C ILE A 69 5.274 -0.702 -6.126 1.00 0.00 C ATOM 998 O ILE A 69 5.560 0.487 -6.252 1.00 0.00 O ATOM 999 CB ILE A 69 2.997 -1.846 -6.386 1.00 0.00 C ATOM 1000 CG1 ILE A 69 1.884 -2.096 -7.405 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.563 -0.868 -5.292 1.00 0.00 C ATOM 1002 CD1 ILE A 69 0.941 -3.203 -6.927 1.00 0.00 C ATOM 0 H ILE A 69 4.425 -3.355 -7.718 1.00 0.00 H new ATOM 0 HA ILE A 69 3.958 -0.604 -7.788 1.00 0.00 H new ATOM 0 HB ILE A 69 3.209 -2.799 -5.901 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.320 -1.177 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.320 -2.374 -8.364 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.652 -1.233 -4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.352 -0.784 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.375 0.111 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.159 -3.361 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.504 -4.127 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.488 -2.911 -5.980 1.00 0.00 H new ATOM 1014 N GLN A 70 5.778 -1.501 -5.196 1.00 0.00 N ATOM 1015 CA GLN A 70 6.740 -1.005 -4.226 1.00 0.00 C ATOM 1016 C GLN A 70 7.714 -0.033 -4.893 1.00 0.00 C ATOM 1017 O GLN A 70 7.883 1.096 -4.431 1.00 0.00 O ATOM 1018 CB GLN A 70 7.490 -2.161 -3.558 1.00 0.00 C ATOM 1019 CG GLN A 70 8.237 -1.682 -2.313 1.00 0.00 C ATOM 1020 CD GLN A 70 9.098 -2.802 -1.725 1.00 0.00 C ATOM 1021 OE1 GLN A 70 8.629 -3.671 -1.009 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.383 -2.733 -2.068 1.00 0.00 N ATOM 0 H GLN A 70 5.538 -2.487 -5.094 1.00 0.00 H new ATOM 0 HA GLN A 70 6.198 -0.468 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.786 -2.946 -3.284 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.196 -2.598 -4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.867 -0.830 -2.568 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.522 -1.338 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.710 -1.978 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.040 -3.435 -1.727 1.00 0.00 H new ATOM 1031 N ASN A 71 8.329 -0.503 -5.967 1.00 0.00 N ATOM 1032 CA ASN A 71 9.281 0.312 -6.702 1.00 0.00 C ATOM 1033 C ASN A 71 8.622 1.638 -7.086 1.00 0.00 C ATOM 1034 O ASN A 71 9.097 2.705 -6.702 1.00 0.00 O ATOM 1035 CB ASN A 71 9.725 -0.386 -7.989 1.00 0.00 C ATOM 1036 CG ASN A 71 10.495 0.576 -8.898 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.167 1.489 -8.448 1.00 0.00 O ATOM 1038 ND2 ASN A 71 10.358 0.321 -10.195 1.00 0.00 N ATOM 0 H ASN A 71 8.187 -1.439 -6.347 1.00 0.00 H new ATOM 0 HA ASN A 71 10.149 0.476 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.354 -1.242 -7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.853 -0.771 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.831 0.907 -10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.779 -0.461 -10.503 1.00 0.00 H new ATOM 1045 N MET A 72 7.538 1.526 -7.839 1.00 0.00 N ATOM 1046 CA MET A 72 6.808 2.702 -8.279 1.00 0.00 C ATOM 1047 C MET A 72 6.548 3.656 -7.112 1.00 0.00 C ATOM 1048 O MET A 72 6.845 4.847 -7.199 1.00 0.00 O ATOM 1049 CB MET A 72 5.474 2.276 -8.896 1.00 0.00 C ATOM 1050 CG MET A 72 4.529 3.470 -9.039 1.00 0.00 C ATOM 1051 SD MET A 72 3.164 3.045 -10.107 1.00 0.00 S ATOM 1052 CE MET A 72 2.180 2.073 -8.980 1.00 0.00 C ATOM 0 H MET A 72 7.148 0.638 -8.156 1.00 0.00 H new ATOM 0 HA MET A 72 7.412 3.223 -9.022 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.649 1.827 -9.874 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.009 1.512 -8.273 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.156 3.768 -8.059 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.069 4.324 -9.448 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.971 1.100 -9.425 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.726 1.935 -8.046 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.241 2.589 -8.779 1.00 0.00 H new ATOM 1062 N LEU A 73 5.997 3.097 -6.044 1.00 0.00 N ATOM 1063 CA LEU A 73 5.694 3.882 -4.860 1.00 0.00 C ATOM 1064 C LEU A 73 6.927 4.698 -4.464 1.00 0.00 C ATOM 1065 O LEU A 73 6.895 5.927 -4.486 1.00 0.00 O ATOM 1066 CB LEU A 73 5.168 2.982 -3.740 1.00 0.00 C ATOM 1067 CG LEU A 73 4.273 3.659 -2.700 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.182 4.494 -3.375 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.690 2.633 -1.727 1.00 0.00 C ATOM 0 H LEU A 73 5.753 2.109 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 73 4.894 4.592 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.610 2.162 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.021 2.541 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 73 4.887 4.344 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.560 4.964 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.643 5.264 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.565 3.849 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.058 3.141 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.095 1.905 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.501 2.121 -1.209 1.00 0.00 H new ATOM 1081 N GLN A 74 7.984 3.981 -4.114 1.00 0.00 N ATOM 1082 CA GLN A 74 9.225 4.622 -3.714 1.00 0.00 C ATOM 1083 C GLN A 74 9.697 5.588 -4.803 1.00 0.00 C ATOM 1084 O GLN A 74 10.018 6.741 -4.519 1.00 0.00 O ATOM 1085 CB GLN A 74 10.302 3.583 -3.398 1.00 0.00 C ATOM 1086 CG GLN A 74 10.329 3.258 -1.903 1.00 0.00 C ATOM 1087 CD GLN A 74 10.727 1.801 -1.666 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.877 1.415 -1.798 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.716 1.014 -1.308 1.00 0.00 N ATOM 0 H GLN A 74 8.007 2.961 -4.099 1.00 0.00 H new ATOM 0 HA GLN A 74 9.040 5.193 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.113 2.673 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.277 3.958 -3.710 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.033 3.918 -1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.347 3.446 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.777 1.401 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.880 0.024 -1.126 1.00 0.00 H new ATOM 1098 N PHE A 75 9.725 5.081 -6.028 1.00 0.00 N ATOM 1099 CA PHE A 75 10.153 5.884 -7.159 1.00 0.00 C ATOM 1100 C PHE A 75 9.489 7.262 -7.137 1.00 0.00 C ATOM 1101 O PHE A 75 10.152 8.278 -7.343 1.00 0.00 O ATOM 1102 CB PHE A 75 9.716 5.143 -8.425 1.00 0.00 C ATOM 1103 CG PHE A 75 9.545 6.045 -9.648 1.00 0.00 C ATOM 1104 CD1 PHE A 75 8.411 6.780 -9.797 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.529 6.113 -10.586 1.00 0.00 C ATOM 1106 CE1 PHE A 75 8.252 7.618 -10.933 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.370 6.951 -11.721 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.235 7.686 -11.870 1.00 0.00 C ATOM 0 H PHE A 75 9.458 4.124 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 75 11.233 6.029 -7.123 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.452 4.373 -8.655 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.773 4.634 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.631 6.727 -9.052 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.430 5.530 -10.467 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.351 8.201 -11.052 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.150 7.005 -12.466 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.115 8.324 -12.733 1.00 0.00 H new ATOM 1118 N TYR A 76 8.189 7.253 -6.882 1.00 0.00 N ATOM 1119 CA TYR A 76 7.429 8.491 -6.829 1.00 0.00 C ATOM 1120 C TYR A 76 7.633 9.203 -5.490 1.00 0.00 C ATOM 1121 O TYR A 76 8.042 10.363 -5.456 1.00 0.00 O ATOM 1122 CB TYR A 76 5.958 8.087 -6.959 1.00 0.00 C ATOM 1123 CG TYR A 76 5.475 7.956 -8.405 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.522 9.046 -9.250 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.991 6.747 -8.863 1.00 0.00 C ATOM 1126 CE1 TYR A 76 5.067 8.922 -10.610 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.536 6.624 -10.225 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.597 7.718 -11.030 1.00 0.00 C ATOM 1129 OH TYR A 76 4.167 7.601 -12.315 1.00 0.00 O ATOM 0 H TYR A 76 7.643 6.409 -6.710 1.00 0.00 H new ATOM 0 HA TYR A 76 7.748 9.172 -7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.806 7.136 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.342 8.826 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.900 9.992 -8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.953 5.894 -8.201 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.098 9.767 -11.282 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.155 5.684 -10.598 1.00 0.00 H new ATOM 0 HH TYR A 76 3.860 6.684 -12.475 1.00 0.00 H new ATOM 1139 N ILE A 77 7.339 8.479 -4.420 1.00 0.00 N ATOM 1140 CA ILE A 77 7.486 9.027 -3.083 1.00 0.00 C ATOM 1141 C ILE A 77 8.727 8.425 -2.422 1.00 0.00 C ATOM 1142 O ILE A 77 8.752 7.236 -2.107 1.00 0.00 O ATOM 1143 CB ILE A 77 6.201 8.825 -2.277 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.983 9.340 -3.046 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.316 9.464 -0.891 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.984 10.869 -3.113 1.00 0.00 C ATOM 0 H ILE A 77 7.000 7.518 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 77 7.641 10.105 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 77 6.058 7.755 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.985 8.928 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.070 8.994 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.389 9.306 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.144 9.008 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.497 10.534 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.108 11.210 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.958 11.277 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.887 11.210 -3.619 1.00 0.00 H new ATOM 1158 N PRO A 78 9.754 9.296 -2.227 1.00 0.00 N ATOM 1159 CA PRO A 78 10.996 8.861 -1.610 1.00 0.00 C ATOM 1160 C PRO A 78 10.821 8.674 -0.101 1.00 0.00 C ATOM 1161 O PRO A 78 11.759 8.279 0.591 1.00 0.00 O ATOM 1162 CB PRO A 78 12.007 9.940 -1.962 1.00 0.00 C ATOM 1163 CG PRO A 78 11.194 11.159 -2.364 1.00 0.00 C ATOM 1164 CD PRO A 78 9.759 10.710 -2.587 1.00 0.00 C ATOM 0 HA PRO A 78 11.329 7.888 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.651 10.164 -1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.655 9.617 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.239 11.921 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.600 11.606 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.065 11.279 -1.968 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.455 10.856 -3.623 1.00 0.00 H new ATOM 1172 N GLU A 79 9.616 8.967 0.364 1.00 0.00 N ATOM 1173 CA GLU A 79 9.307 8.835 1.778 1.00 0.00 C ATOM 1174 C GLU A 79 9.048 7.369 2.131 1.00 0.00 C ATOM 1175 O GLU A 79 9.218 6.964 3.279 1.00 0.00 O ATOM 1176 CB GLU A 79 8.114 9.711 2.162 1.00 0.00 C ATOM 1177 CG GLU A 79 8.276 11.131 1.613 1.00 0.00 C ATOM 1178 CD GLU A 79 8.243 12.162 2.741 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.686 11.802 3.853 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.776 13.289 2.468 1.00 0.00 O ATOM 0 H GLU A 79 8.842 9.295 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 79 10.168 9.179 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.195 9.270 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.018 9.746 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.218 11.210 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.479 11.342 0.899 1.00 0.00 H new ATOM 1187 N VAL A 80 8.641 6.614 1.121 1.00 0.00 N ATOM 1188 CA VAL A 80 8.357 5.202 1.310 1.00 0.00 C ATOM 1189 C VAL A 80 9.666 4.411 1.260 1.00 0.00 C ATOM 1190 O VAL A 80 10.621 4.827 0.607 1.00 0.00 O ATOM 1191 CB VAL A 80 7.333 4.731 0.275 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.858 3.309 0.581 1.00 0.00 C ATOM 1193 CG2 VAL A 80 6.152 5.699 0.193 1.00 0.00 C ATOM 0 H VAL A 80 8.501 6.954 0.169 1.00 0.00 H new ATOM 0 HA VAL A 80 7.911 5.030 2.290 1.00 0.00 H new ATOM 0 HB VAL A 80 7.822 4.717 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.131 2.999 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.710 2.629 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.394 3.285 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.439 5.341 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.663 5.760 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.511 6.687 -0.095 1.00 0.00 H new ATOM 1203 N GLU A 81 9.666 3.285 1.959 1.00 0.00 N ATOM 1204 CA GLU A 81 10.842 2.433 2.002 1.00 0.00 C ATOM 1205 C GLU A 81 10.501 1.033 1.487 1.00 0.00 C ATOM 1206 O GLU A 81 11.289 0.423 0.765 1.00 0.00 O ATOM 1207 CB GLU A 81 11.423 2.370 3.416 1.00 0.00 C ATOM 1208 CG GLU A 81 12.323 3.577 3.692 1.00 0.00 C ATOM 1209 CD GLU A 81 13.680 3.135 4.241 1.00 0.00 C ATOM 1210 OE1 GLU A 81 13.684 2.564 5.353 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.684 3.378 3.536 1.00 0.00 O ATOM 0 H GLU A 81 8.871 2.944 2.499 1.00 0.00 H new ATOM 0 HA GLU A 81 11.603 2.864 1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.613 2.341 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.995 1.450 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.466 4.146 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.837 4.242 4.406 1.00 0.00 H new ATOM 1218 N GLY A 82 9.327 0.562 1.881 1.00 0.00 N ATOM 1219 CA GLY A 82 8.873 -0.755 1.469 1.00 0.00 C ATOM 1220 C GLY A 82 7.355 -0.883 1.618 1.00 0.00 C ATOM 1221 O GLY A 82 6.629 0.102 1.489 1.00 0.00 O ATOM 0 H GLY A 82 8.677 1.069 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.157 -0.933 0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.367 -1.518 2.070 1.00 0.00 H new ATOM 1225 N VAL A 83 6.919 -2.106 1.887 1.00 0.00 N ATOM 1226 CA VAL A 83 5.502 -2.375 2.055 1.00 0.00 C ATOM 1227 C VAL A 83 5.311 -3.393 3.180 1.00 0.00 C ATOM 1228 O VAL A 83 6.234 -4.133 3.517 1.00 0.00 O ATOM 1229 CB VAL A 83 4.895 -2.831 0.726 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.601 -3.614 0.955 1.00 0.00 C ATOM 1231 CG2 VAL A 83 4.659 -1.641 -0.206 1.00 0.00 C ATOM 0 H VAL A 83 7.523 -2.921 1.993 1.00 0.00 H new ATOM 0 HA VAL A 83 4.972 -1.467 2.345 1.00 0.00 H new ATOM 0 HB VAL A 83 5.609 -3.498 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.190 -3.926 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.811 -4.494 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.879 -2.981 1.470 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.227 -1.993 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.974 -0.938 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.607 -1.143 -0.408 1.00 0.00 H new ATOM 1241 N GLU A 84 4.106 -3.399 3.731 1.00 0.00 N ATOM 1242 CA GLU A 84 3.782 -4.315 4.812 1.00 0.00 C ATOM 1243 C GLU A 84 2.306 -4.714 4.745 1.00 0.00 C ATOM 1244 O GLU A 84 1.442 -3.873 4.503 1.00 0.00 O ATOM 1245 CB GLU A 84 4.122 -3.701 6.171 1.00 0.00 C ATOM 1246 CG GLU A 84 5.231 -4.493 6.868 1.00 0.00 C ATOM 1247 CD GLU A 84 6.546 -4.394 6.092 1.00 0.00 C ATOM 1248 OE1 GLU A 84 6.866 -3.266 5.660 1.00 0.00 O ATOM 1249 OE2 GLU A 84 7.201 -5.448 5.949 1.00 0.00 O ATOM 0 H GLU A 84 3.342 -2.784 3.449 1.00 0.00 H new ATOM 0 HA GLU A 84 4.387 -5.214 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.438 -2.666 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.232 -3.684 6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.372 -4.114 7.880 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.935 -5.538 6.957 1.00 0.00 H new ATOM 1256 N GLN A 85 2.062 -5.998 4.963 1.00 0.00 N ATOM 1257 CA GLN A 85 0.706 -6.518 4.931 1.00 0.00 C ATOM 1258 C GLN A 85 0.122 -6.568 6.344 1.00 0.00 C ATOM 1259 O GLN A 85 0.078 -7.630 6.964 1.00 0.00 O ATOM 1260 CB GLN A 85 0.664 -7.898 4.270 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.778 -8.369 4.076 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.044 -9.658 4.858 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.330 -9.648 6.044 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -0.935 -10.765 4.129 1.00 0.00 N ATOM 0 H GLN A 85 2.781 -6.694 5.163 1.00 0.00 H new ATOM 0 HA GLN A 85 0.094 -5.845 4.331 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.170 -7.859 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.205 -8.617 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.466 -7.591 4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.970 -8.536 3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -0.692 -10.703 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.094 -11.676 4.559 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.310 -5.407 6.813 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.890 -5.305 8.141 1.00 0.00 C ATOM 1275 C VAL A 86 -2.111 -6.223 8.233 1.00 0.00 C ATOM 1276 O VAL A 86 -2.935 -6.257 7.321 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.214 -3.844 8.460 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.048 -2.980 8.418 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -2.284 -3.301 7.510 1.00 0.00 C ATOM 0 H VAL A 86 -0.270 -4.528 6.297 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.177 -5.638 8.895 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.613 -3.802 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.211 -1.947 8.648 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.765 -3.347 9.153 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.490 -3.030 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.496 -2.261 7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.924 -3.363 6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.195 -3.891 7.612 1.00 0.00 H new