USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 483 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 9 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= 0.739 K(o=0.74,f=-4.9!) USER MOD Single : A 33 THR OG1 : rot -51:sc= -1.94 USER MOD Single : A 36 GLN : amide:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.508 K(o=0.51,f=-0.0086) USER MOD Single : A 67 MET CE :methyl -130:sc= -1.98! (180deg=-6.71!) USER MOD Single : A 68 ASN : amide:sc=-0.00186 K(o=-0.0019,f=-0.78) USER MOD Single : A 70 SER OG : rot 119:sc= 0.0462 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 95 N VAL A 7 0.694 10.156 -0.770 1.00 0.00 N ATOM 96 CA VAL A 7 1.144 8.809 -0.463 1.00 0.00 C ATOM 97 C VAL A 7 0.338 8.220 0.688 1.00 0.00 C ATOM 98 O VAL A 7 0.105 8.886 1.696 1.00 0.00 O ATOM 99 CB VAL A 7 2.638 8.787 -0.090 1.00 0.00 C ATOM 100 CG1 VAL A 7 3.509 8.989 -1.322 1.00 0.00 C ATOM 101 CG2 VAL A 7 2.950 9.831 0.978 1.00 0.00 C ATOM 0 HA VAL A 7 0.994 8.209 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 7 2.866 7.805 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.560 8.969 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.316 8.191 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.276 9.951 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.011 9.795 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.698 10.823 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.363 9.623 1.873 1.00 0.00 H new ATOM 111 N LEU A 8 -0.092 6.971 0.534 1.00 0.00 N ATOM 112 CA LEU A 8 -0.874 6.307 1.570 1.00 0.00 C ATOM 113 C LEU A 8 -0.142 5.092 2.126 1.00 0.00 C ATOM 114 O LEU A 8 0.741 4.534 1.478 1.00 0.00 O ATOM 115 CB LEU A 8 -2.233 5.870 1.022 1.00 0.00 C ATOM 116 CG LEU A 8 -2.952 6.893 0.144 1.00 0.00 C ATOM 117 CD1 LEU A 8 -4.118 6.238 -0.578 1.00 0.00 C ATOM 118 CD2 LEU A 8 -3.432 8.066 0.984 1.00 0.00 C ATOM 0 H LEU A 8 0.087 6.402 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.021 7.026 2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.095 4.956 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.880 5.621 1.863 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.252 7.269 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.622 6.977 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.748 5.427 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.821 5.839 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.942 8.787 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.121 7.708 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.577 8.546 1.461 1.00 0.00 H new ATOM 130 N TYR A 9 -0.535 4.676 3.328 1.00 0.00 N ATOM 131 CA TYR A 9 0.067 3.513 3.969 1.00 0.00 C ATOM 132 C TYR A 9 -0.954 2.391 4.080 1.00 0.00 C ATOM 133 O TYR A 9 -2.101 2.627 4.444 1.00 0.00 O ATOM 134 CB TYR A 9 0.591 3.870 5.363 1.00 0.00 C ATOM 135 CG TYR A 9 1.472 2.796 5.964 1.00 0.00 C ATOM 136 CD1 TYR A 9 0.967 1.533 6.255 1.00 0.00 C ATOM 137 CD2 TYR A 9 2.813 3.042 6.231 1.00 0.00 C ATOM 138 CE1 TYR A 9 1.770 0.549 6.795 1.00 0.00 C ATOM 139 CE2 TYR A 9 3.624 2.062 6.772 1.00 0.00 C ATOM 140 CZ TYR A 9 3.099 0.818 7.052 1.00 0.00 C ATOM 141 OH TYR A 9 3.905 -0.161 7.590 1.00 0.00 O ATOM 0 H TYR A 9 -1.267 5.128 3.876 1.00 0.00 H new ATOM 0 HA TYR A 9 0.905 3.182 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.154 4.801 5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.255 4.050 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.072 1.319 6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.229 4.015 6.012 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.361 -0.426 7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.664 2.270 6.975 1.00 0.00 H new ATOM 0 HH TYR A 9 4.812 0.190 7.708 1.00 0.00 H new ATOM 151 N VAL A 10 -0.532 1.169 3.768 1.00 0.00 N ATOM 152 CA VAL A 10 -1.425 0.019 3.841 1.00 0.00 C ATOM 153 C VAL A 10 -1.053 -0.889 5.006 1.00 0.00 C ATOM 154 O VAL A 10 0.082 -1.356 5.106 1.00 0.00 O ATOM 155 CB VAL A 10 -1.395 -0.804 2.538 1.00 0.00 C ATOM 156 CG1 VAL A 10 -2.458 -1.890 2.570 1.00 0.00 C ATOM 157 CG2 VAL A 10 -1.580 0.097 1.324 1.00 0.00 C ATOM 0 H VAL A 10 0.417 0.951 3.464 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.431 0.411 3.991 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.419 -1.282 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.423 -2.461 1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.273 -2.555 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.442 -1.433 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.555 -0.506 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.540 0.609 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.777 0.834 1.292 1.00 0.00 H new ATOM 167 N GLY A 11 -2.017 -1.133 5.889 1.00 0.00 N ATOM 168 CA GLY A 11 -1.776 -1.984 7.040 1.00 0.00 C ATOM 169 C GLY A 11 -2.735 -3.161 7.110 1.00 0.00 C ATOM 170 O GLY A 11 -3.948 -2.980 7.176 1.00 0.00 O ATOM 0 H GLY A 11 -2.963 -0.755 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.752 -2.356 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.867 -1.391 7.950 1.00 0.00 H new ATOM 174 N GLY A 12 -2.194 -4.370 7.075 1.00 0.00 N ATOM 175 CA GLY A 12 -3.024 -5.556 7.118 1.00 0.00 C ATOM 176 C GLY A 12 -2.919 -6.308 5.822 1.00 0.00 C ATOM 177 O GLY A 12 -3.920 -6.706 5.227 1.00 0.00 O ATOM 0 H GLY A 12 -1.192 -4.551 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.715 -6.196 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.061 -5.277 7.302 1.00 0.00 H new ATOM 181 N LEU A 13 -1.684 -6.464 5.370 1.00 0.00 N ATOM 182 CA LEU A 13 -1.401 -7.126 4.122 1.00 0.00 C ATOM 183 C LEU A 13 -0.913 -8.550 4.333 1.00 0.00 C ATOM 184 O LEU A 13 -0.406 -8.902 5.397 1.00 0.00 O ATOM 185 CB LEU A 13 -0.322 -6.349 3.377 1.00 0.00 C ATOM 186 CG LEU A 13 -0.767 -5.045 2.715 1.00 0.00 C ATOM 187 CD1 LEU A 13 0.435 -4.293 2.157 1.00 0.00 C ATOM 188 CD2 LEU A 13 -1.795 -5.314 1.620 1.00 0.00 C ATOM 0 H LEU A 13 -0.855 -6.133 5.864 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.327 -7.162 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.482 -6.121 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.099 -6.997 2.609 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.240 -4.421 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.100 -3.367 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.127 -4.061 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.939 -4.912 1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.096 -4.371 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.356 -5.961 0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.668 -5.803 2.053 1.00 0.00 H new ATOM 200 N ALA A 14 -1.038 -9.343 3.286 1.00 0.00 N ATOM 201 CA ALA A 14 -0.581 -10.721 3.298 1.00 0.00 C ATOM 202 C ALA A 14 0.672 -10.845 2.443 1.00 0.00 C ATOM 203 O ALA A 14 1.109 -9.871 1.830 1.00 0.00 O ATOM 204 CB ALA A 14 -1.673 -11.652 2.792 1.00 0.00 C ATOM 0 H ALA A 14 -1.459 -9.051 2.404 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.344 -11.011 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.311 -12.680 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.550 -11.566 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.941 -11.378 1.772 1.00 0.00 H new ATOM 210 N GLU A 15 1.251 -12.035 2.398 1.00 0.00 N ATOM 211 CA GLU A 15 2.455 -12.258 1.607 1.00 0.00 C ATOM 212 C GLU A 15 2.137 -12.337 0.111 1.00 0.00 C ATOM 213 O GLU A 15 3.030 -12.562 -0.707 1.00 0.00 O ATOM 214 CB GLU A 15 3.152 -13.542 2.056 1.00 0.00 C ATOM 215 CG GLU A 15 3.391 -13.613 3.556 1.00 0.00 C ATOM 216 CD GLU A 15 4.531 -14.543 3.922 1.00 0.00 C ATOM 217 OE1 GLU A 15 4.459 -15.739 3.567 1.00 0.00 O ATOM 218 OE2 GLU A 15 5.497 -14.076 4.561 1.00 0.00 O ATOM 0 H GLU A 15 0.911 -12.858 2.896 1.00 0.00 H new ATOM 0 HA GLU A 15 3.119 -11.409 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.550 -14.398 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.108 -13.626 1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.607 -12.613 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.480 -13.950 4.050 1.00 0.00 H new ATOM 225 N GLU A 16 0.864 -12.165 -0.245 1.00 0.00 N ATOM 226 CA GLU A 16 0.440 -12.232 -1.642 1.00 0.00 C ATOM 227 C GLU A 16 0.382 -10.845 -2.282 1.00 0.00 C ATOM 228 O GLU A 16 0.520 -10.709 -3.496 1.00 0.00 O ATOM 229 CB GLU A 16 -0.933 -12.906 -1.749 1.00 0.00 C ATOM 230 CG GLU A 16 -1.328 -13.688 -0.509 1.00 0.00 C ATOM 231 CD GLU A 16 -2.441 -14.683 -0.772 1.00 0.00 C ATOM 232 OE1 GLU A 16 -2.451 -15.282 -1.868 1.00 0.00 O ATOM 233 OE2 GLU A 16 -3.299 -14.864 0.116 1.00 0.00 O ATOM 0 H GLU A 16 0.109 -11.978 0.415 1.00 0.00 H new ATOM 0 HA GLU A 16 1.181 -12.823 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.688 -12.144 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.932 -13.579 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.456 -14.218 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.645 -12.992 0.268 1.00 0.00 H new ATOM 240 N VAL A 17 0.167 -9.821 -1.463 1.00 0.00 N ATOM 241 CA VAL A 17 0.080 -8.459 -1.955 1.00 0.00 C ATOM 242 C VAL A 17 1.455 -7.902 -2.277 1.00 0.00 C ATOM 243 O VAL A 17 2.421 -8.116 -1.546 1.00 0.00 O ATOM 244 CB VAL A 17 -0.602 -7.532 -0.934 1.00 0.00 C ATOM 245 CG1 VAL A 17 0.147 -7.566 0.386 1.00 0.00 C ATOM 246 CG2 VAL A 17 -0.701 -6.106 -1.472 1.00 0.00 C ATOM 0 H VAL A 17 0.050 -9.913 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.521 -8.494 -2.864 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.617 -7.891 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.345 -6.906 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.152 -8.584 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.173 -7.232 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.187 -5.471 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.299 -5.724 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.286 -6.104 -2.392 1.00 0.00 H new ATOM 256 N ASP A 18 1.523 -7.188 -3.382 1.00 0.00 N ATOM 257 CA ASP A 18 2.766 -6.585 -3.837 1.00 0.00 C ATOM 258 C ASP A 18 2.479 -5.318 -4.634 1.00 0.00 C ATOM 259 O ASP A 18 1.330 -4.892 -4.752 1.00 0.00 O ATOM 260 CB ASP A 18 3.561 -7.578 -4.687 1.00 0.00 C ATOM 261 CG ASP A 18 4.673 -8.248 -3.904 1.00 0.00 C ATOM 262 OD1 ASP A 18 4.384 -8.827 -2.836 1.00 0.00 O ATOM 263 OD2 ASP A 18 5.836 -8.195 -4.361 1.00 0.00 O ATOM 0 H ASP A 18 0.724 -7.008 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 18 3.363 -6.320 -2.964 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.886 -8.339 -5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.987 -7.058 -5.545 1.00 0.00 H new ATOM 268 N ASP A 19 3.528 -4.730 -5.191 1.00 0.00 N ATOM 269 CA ASP A 19 3.392 -3.517 -5.985 1.00 0.00 C ATOM 270 C ASP A 19 2.524 -3.797 -7.199 1.00 0.00 C ATOM 271 O ASP A 19 1.794 -2.932 -7.674 1.00 0.00 O ATOM 272 CB ASP A 19 4.776 -3.024 -6.424 1.00 0.00 C ATOM 273 CG ASP A 19 4.725 -1.750 -7.252 1.00 0.00 C ATOM 274 OD1 ASP A 19 3.689 -1.498 -7.899 1.00 0.00 O ATOM 275 OD2 ASP A 19 5.729 -1.008 -7.255 1.00 0.00 O ATOM 0 H ASP A 19 4.485 -5.074 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 19 2.919 -2.741 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.390 -2.850 -5.540 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.266 -3.806 -7.003 1.00 0.00 H new ATOM 280 N LYS A 20 2.619 -5.022 -7.682 1.00 0.00 N ATOM 281 CA LYS A 20 1.866 -5.469 -8.840 1.00 0.00 C ATOM 282 C LYS A 20 0.368 -5.446 -8.571 1.00 0.00 C ATOM 283 O LYS A 20 -0.413 -4.926 -9.368 1.00 0.00 O ATOM 284 CB LYS A 20 2.295 -6.893 -9.163 1.00 0.00 C ATOM 285 CG LYS A 20 3.788 -7.042 -9.373 1.00 0.00 C ATOM 286 CD LYS A 20 4.156 -8.471 -9.728 1.00 0.00 C ATOM 287 CE LYS A 20 5.599 -8.573 -10.195 1.00 0.00 C ATOM 288 NZ LYS A 20 6.000 -9.981 -10.462 1.00 0.00 N ATOM 0 H LYS A 20 3.224 -5.739 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 20 2.067 -4.798 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.983 -7.551 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.775 -7.226 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.114 -6.372 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.316 -6.743 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.007 -9.113 -8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.492 -8.835 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.730 -7.981 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.256 -8.146 -9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.990 -10.006 -10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.900 -10.541 -9.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.390 -10.381 -11.203 1.00 0.00 H new ATOM 302 N VAL A 21 -0.019 -6.007 -7.435 1.00 0.00 N ATOM 303 CA VAL A 21 -1.420 -6.048 -7.043 1.00 0.00 C ATOM 304 C VAL A 21 -1.892 -4.664 -6.644 1.00 0.00 C ATOM 305 O VAL A 21 -2.971 -4.228 -7.030 1.00 0.00 O ATOM 306 CB VAL A 21 -1.686 -7.059 -5.898 1.00 0.00 C ATOM 307 CG1 VAL A 21 -1.666 -6.382 -4.533 1.00 0.00 C ATOM 308 CG2 VAL A 21 -3.014 -7.780 -6.118 1.00 0.00 C ATOM 0 H VAL A 21 0.619 -6.441 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.987 -6.390 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.880 -7.793 -5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.856 -7.123 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.690 -5.925 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.437 -5.613 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.184 -8.486 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.824 -7.051 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.983 -8.319 -7.065 1.00 0.00 H new ATOM 318 N LEU A 22 -1.061 -3.970 -5.871 1.00 0.00 N ATOM 319 CA LEU A 22 -1.393 -2.629 -5.428 1.00 0.00 C ATOM 320 C LEU A 22 -1.568 -1.732 -6.640 1.00 0.00 C ATOM 321 O LEU A 22 -2.438 -0.868 -6.669 1.00 0.00 O ATOM 322 CB LEU A 22 -0.306 -2.080 -4.500 1.00 0.00 C ATOM 323 CG LEU A 22 -0.256 -2.728 -3.114 1.00 0.00 C ATOM 324 CD1 LEU A 22 1.176 -2.813 -2.605 1.00 0.00 C ATOM 325 CD2 LEU A 22 -1.117 -1.972 -2.115 1.00 0.00 C ATOM 0 H LEU A 22 -0.159 -4.316 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.326 -2.658 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.663 -2.211 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.459 -1.008 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.655 -3.737 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.185 -3.277 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.772 -3.412 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.598 -1.810 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.058 -2.459 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.759 -0.946 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.152 -1.968 -2.457 1.00 0.00 H new ATOM 337 N HIS A 23 -0.744 -1.965 -7.655 1.00 0.00 N ATOM 338 CA HIS A 23 -0.827 -1.194 -8.881 1.00 0.00 C ATOM 339 C HIS A 23 -2.198 -1.373 -9.523 1.00 0.00 C ATOM 340 O HIS A 23 -2.912 -0.406 -9.769 1.00 0.00 O ATOM 341 CB HIS A 23 0.256 -1.665 -9.855 1.00 0.00 C ATOM 342 CG HIS A 23 1.131 -0.563 -10.369 1.00 0.00 C ATOM 343 ND1 HIS A 23 2.274 -0.143 -9.724 1.00 0.00 N ATOM 344 CD2 HIS A 23 1.026 0.205 -11.480 1.00 0.00 C ATOM 345 CE1 HIS A 23 2.834 0.835 -10.414 1.00 0.00 C ATOM 346 NE2 HIS A 23 2.096 1.065 -11.485 1.00 0.00 N ATOM 0 H HIS A 23 -0.015 -2.679 -7.650 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.679 -0.140 -8.647 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.879 -2.409 -9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.220 -2.162 -10.700 1.00 0.00 H new ATOM 0 HD1 HIS A 23 2.632 -0.527 -8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.245 0.151 -12.224 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.741 1.357 -10.148 1.00 0.00 H new ATOM 355 N ALA A 24 -2.550 -2.625 -9.782 1.00 0.00 N ATOM 356 CA ALA A 24 -3.828 -2.972 -10.395 1.00 0.00 C ATOM 357 C ALA A 24 -5.018 -2.693 -9.477 1.00 0.00 C ATOM 358 O ALA A 24 -6.052 -2.195 -9.921 1.00 0.00 O ATOM 359 CB ALA A 24 -3.824 -4.432 -10.820 1.00 0.00 C ATOM 0 H ALA A 24 -1.959 -3.430 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.946 -2.334 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.782 -4.681 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.024 -4.599 -11.542 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.663 -5.065 -9.947 1.00 0.00 H new ATOM 365 N ALA A 25 -4.881 -3.052 -8.206 1.00 0.00 N ATOM 366 CA ALA A 25 -5.962 -2.875 -7.239 1.00 0.00 C ATOM 367 C ALA A 25 -6.189 -1.419 -6.871 1.00 0.00 C ATOM 368 O ALA A 25 -7.318 -1.017 -6.593 1.00 0.00 O ATOM 369 CB ALA A 25 -5.694 -3.686 -5.980 1.00 0.00 C ATOM 0 H ALA A 25 -4.033 -3.467 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.870 -3.236 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.511 -3.540 -5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.620 -4.743 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.759 -3.357 -5.527 1.00 0.00 H new ATOM 375 N PHE A 26 -5.126 -0.629 -6.844 1.00 0.00 N ATOM 376 CA PHE A 26 -5.260 0.768 -6.474 1.00 0.00 C ATOM 377 C PHE A 26 -5.385 1.680 -7.696 1.00 0.00 C ATOM 378 O PHE A 26 -5.754 2.845 -7.564 1.00 0.00 O ATOM 379 CB PHE A 26 -4.098 1.187 -5.576 1.00 0.00 C ATOM 380 CG PHE A 26 -4.079 0.457 -4.258 1.00 0.00 C ATOM 381 CD1 PHE A 26 -3.955 -0.930 -4.205 1.00 0.00 C ATOM 382 CD2 PHE A 26 -4.189 1.155 -3.067 1.00 0.00 C ATOM 383 CE1 PHE A 26 -3.940 -1.592 -2.992 1.00 0.00 C ATOM 384 CE2 PHE A 26 -4.174 0.496 -1.853 1.00 0.00 C ATOM 385 CZ PHE A 26 -4.048 -0.878 -1.816 1.00 0.00 C ATOM 0 H PHE A 26 -4.177 -0.927 -7.070 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.188 0.879 -5.914 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.159 1.006 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.158 2.259 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.870 -1.494 -5.122 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.288 2.230 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.844 -2.667 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.261 1.056 -0.933 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.034 -1.394 -0.867 1.00 0.00 H new ATOM 395 N ILE A 27 -5.101 1.152 -8.890 1.00 0.00 N ATOM 396 CA ILE A 27 -5.217 1.950 -10.109 1.00 0.00 C ATOM 397 C ILE A 27 -6.654 2.442 -10.325 1.00 0.00 C ATOM 398 O ILE A 27 -6.853 3.591 -10.716 1.00 0.00 O ATOM 399 CB ILE A 27 -4.694 1.198 -11.363 1.00 0.00 C ATOM 400 CG1 ILE A 27 -4.188 2.201 -12.395 1.00 0.00 C ATOM 401 CG2 ILE A 27 -5.741 0.286 -11.978 1.00 0.00 C ATOM 402 CD1 ILE A 27 -2.717 2.512 -12.242 1.00 0.00 C ATOM 0 H ILE A 27 -4.794 0.190 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.578 2.822 -9.969 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.873 0.558 -11.039 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.369 1.808 -13.395 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.760 3.125 -12.307 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.321 -0.214 -12.851 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.049 -0.460 -11.246 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.606 0.877 -12.280 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.416 3.231 -13.004 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.535 2.933 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.137 1.596 -12.358 1.00 0.00 H new ATOM 414 N PRO A 28 -7.691 1.607 -10.059 1.00 0.00 N ATOM 415 CA PRO A 28 -9.083 2.036 -10.228 1.00 0.00 C ATOM 416 C PRO A 28 -9.379 3.271 -9.390 1.00 0.00 C ATOM 417 O PRO A 28 -9.998 4.225 -9.864 1.00 0.00 O ATOM 418 CB PRO A 28 -9.907 0.838 -9.733 1.00 0.00 C ATOM 419 CG PRO A 28 -8.957 0.023 -8.928 1.00 0.00 C ATOM 420 CD PRO A 28 -7.615 0.216 -9.567 1.00 0.00 C ATOM 0 HA PRO A 28 -9.311 2.308 -11.259 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.755 1.164 -9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.310 0.264 -10.568 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.946 0.348 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.244 -1.029 -8.930 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.803 0.082 -8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.446 -0.492 -10.378 1.00 0.00 H new ATOM 428 N PHE A 29 -8.908 3.255 -8.148 1.00 0.00 N ATOM 429 CA PHE A 29 -9.097 4.384 -7.246 1.00 0.00 C ATOM 430 C PHE A 29 -8.252 5.564 -7.711 1.00 0.00 C ATOM 431 O PHE A 29 -8.569 6.720 -7.433 1.00 0.00 O ATOM 432 CB PHE A 29 -8.710 4.009 -5.810 1.00 0.00 C ATOM 433 CG PHE A 29 -9.059 2.599 -5.424 1.00 0.00 C ATOM 434 CD1 PHE A 29 -10.337 2.106 -5.624 1.00 0.00 C ATOM 435 CD2 PHE A 29 -8.107 1.771 -4.855 1.00 0.00 C ATOM 436 CE1 PHE A 29 -10.658 0.810 -5.265 1.00 0.00 C ATOM 437 CE2 PHE A 29 -8.418 0.476 -4.495 1.00 0.00 C ATOM 438 CZ PHE A 29 -9.696 -0.006 -4.699 1.00 0.00 C ATOM 0 H PHE A 29 -8.393 2.473 -7.743 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.151 4.660 -7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.637 4.152 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.204 4.695 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.091 2.741 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.107 2.144 -4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.658 0.436 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.664 -0.159 -4.055 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.944 -1.019 -4.417 1.00 0.00 H new ATOM 448 N GLY A 30 -7.168 5.253 -8.418 1.00 0.00 N ATOM 449 CA GLY A 30 -6.279 6.279 -8.915 1.00 0.00 C ATOM 450 C GLY A 30 -5.011 5.684 -9.481 1.00 0.00 C ATOM 451 O GLY A 30 -4.434 4.771 -8.891 1.00 0.00 O ATOM 0 H GLY A 30 -6.892 4.300 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.786 6.859 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.030 6.969 -8.109 1.00 0.00 H new ATOM 455 N ASP A 31 -4.576 6.186 -10.627 1.00 0.00 N ATOM 456 CA ASP A 31 -3.372 5.671 -11.257 1.00 0.00 C ATOM 457 C ASP A 31 -2.152 5.910 -10.385 1.00 0.00 C ATOM 458 O ASP A 31 -1.625 7.019 -10.307 1.00 0.00 O ATOM 459 CB ASP A 31 -3.164 6.286 -12.638 1.00 0.00 C ATOM 460 CG ASP A 31 -4.457 6.424 -13.421 1.00 0.00 C ATOM 461 OD1 ASP A 31 -4.957 5.398 -13.926 1.00 0.00 O ATOM 462 OD2 ASP A 31 -4.967 7.559 -13.529 1.00 0.00 O ATOM 0 H ASP A 31 -5.034 6.942 -11.135 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.503 4.596 -11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.705 7.268 -12.528 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.466 5.669 -13.204 1.00 0.00 H new ATOM 467 N ILE A 32 -1.715 4.843 -9.737 1.00 0.00 N ATOM 468 CA ILE A 32 -0.554 4.883 -8.858 1.00 0.00 C ATOM 469 C ILE A 32 0.678 5.405 -9.591 1.00 0.00 C ATOM 470 O ILE A 32 0.829 5.206 -10.798 1.00 0.00 O ATOM 471 CB ILE A 32 -0.267 3.466 -8.321 1.00 0.00 C ATOM 472 CG1 ILE A 32 -1.493 2.924 -7.590 1.00 0.00 C ATOM 473 CG2 ILE A 32 0.954 3.436 -7.412 1.00 0.00 C ATOM 474 CD1 ILE A 32 -2.312 1.975 -8.430 1.00 0.00 C ATOM 0 H ILE A 32 -2.153 3.924 -9.804 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.775 5.560 -8.033 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.047 2.827 -9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.171 2.412 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.121 3.759 -7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.118 2.419 -7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.829 3.773 -7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.789 4.095 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.168 1.625 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.662 2.490 -9.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.697 1.123 -8.720 1.00 0.00 H new ATOM 486 N THR A 33 1.561 6.062 -8.850 1.00 0.00 N ATOM 487 CA THR A 33 2.790 6.604 -9.414 1.00 0.00 C ATOM 488 C THR A 33 4.003 5.921 -8.820 1.00 0.00 C ATOM 489 O THR A 33 5.024 5.757 -9.489 1.00 0.00 O ATOM 490 CB THR A 33 2.890 8.100 -9.161 1.00 0.00 C ATOM 491 OG1 THR A 33 1.614 8.657 -8.884 1.00 0.00 O ATOM 492 CG2 THR A 33 3.496 8.865 -10.318 1.00 0.00 C ATOM 0 H THR A 33 1.447 6.233 -7.851 1.00 0.00 H new ATOM 0 HA THR A 33 2.763 6.422 -10.488 1.00 0.00 H new ATOM 0 HB THR A 33 3.551 8.201 -8.300 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.981 8.387 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.538 9.926 -10.071 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.504 8.497 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.883 8.724 -11.208 1.00 0.00 H new ATOM 500 N ASP A 34 3.897 5.531 -7.559 1.00 0.00 N ATOM 501 CA ASP A 34 5.005 4.879 -6.895 1.00 0.00 C ATOM 502 C ASP A 34 4.534 3.967 -5.763 1.00 0.00 C ATOM 503 O ASP A 34 3.567 4.266 -5.066 1.00 0.00 O ATOM 504 CB ASP A 34 5.981 5.925 -6.349 1.00 0.00 C ATOM 505 CG ASP A 34 7.430 5.532 -6.558 1.00 0.00 C ATOM 506 OD1 ASP A 34 7.714 4.316 -6.605 1.00 0.00 O ATOM 507 OD2 ASP A 34 8.282 6.438 -6.673 1.00 0.00 O ATOM 0 H ASP A 34 3.064 5.654 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 34 5.510 4.257 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.793 6.882 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.797 6.068 -5.284 1.00 0.00 H new ATOM 512 N ILE A 35 5.246 2.864 -5.572 1.00 0.00 N ATOM 513 CA ILE A 35 4.927 1.920 -4.507 1.00 0.00 C ATOM 514 C ILE A 35 6.209 1.346 -3.918 1.00 0.00 C ATOM 515 O ILE A 35 6.993 0.708 -4.620 1.00 0.00 O ATOM 516 CB ILE A 35 4.027 0.767 -5.001 1.00 0.00 C ATOM 517 CG1 ILE A 35 2.791 1.319 -5.714 1.00 0.00 C ATOM 518 CG2 ILE A 35 3.618 -0.128 -3.835 1.00 0.00 C ATOM 519 CD1 ILE A 35 1.856 0.245 -6.234 1.00 0.00 C ATOM 0 H ILE A 35 6.050 2.600 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 35 4.377 2.469 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 35 4.594 0.167 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.243 1.963 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.112 1.943 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.984 -0.935 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.509 -0.549 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.068 0.460 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.003 0.712 -6.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.387 -0.385 -6.947 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.504 -0.365 -5.402 1.00 0.00 H new ATOM 531 N GLN A 36 6.425 1.589 -2.631 1.00 0.00 N ATOM 532 CA GLN A 36 7.626 1.108 -1.959 1.00 0.00 C ATOM 533 C GLN A 36 7.289 0.138 -0.834 1.00 0.00 C ATOM 534 O GLN A 36 6.424 0.404 -0.001 1.00 0.00 O ATOM 535 CB GLN A 36 8.424 2.289 -1.402 1.00 0.00 C ATOM 536 CG GLN A 36 8.979 3.209 -2.478 1.00 0.00 C ATOM 537 CD GLN A 36 10.412 2.879 -2.845 1.00 0.00 C ATOM 538 OE1 GLN A 36 10.689 2.401 -3.945 1.00 0.00 O ATOM 539 NE2 GLN A 36 11.333 3.134 -1.923 1.00 0.00 N ATOM 0 H GLN A 36 5.787 2.114 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 36 8.227 0.574 -2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.784 2.867 -0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.249 1.908 -0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.354 3.139 -3.369 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.925 4.241 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.059 3.531 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.315 2.933 -2.114 1.00 0.00 H new ATOM 548 N ILE A 37 7.998 -0.988 -0.812 1.00 0.00 N ATOM 549 CA ILE A 37 7.802 -2.005 0.213 1.00 0.00 C ATOM 550 C ILE A 37 9.100 -2.223 0.989 1.00 0.00 C ATOM 551 O ILE A 37 10.069 -2.755 0.447 1.00 0.00 O ATOM 552 CB ILE A 37 7.346 -3.343 -0.407 1.00 0.00 C ATOM 553 CG1 ILE A 37 6.104 -3.134 -1.282 1.00 0.00 C ATOM 554 CG2 ILE A 37 7.069 -4.367 0.686 1.00 0.00 C ATOM 555 CD1 ILE A 37 6.264 -3.655 -2.694 1.00 0.00 C ATOM 0 H ILE A 37 8.717 -1.218 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 37 7.023 -1.652 0.889 1.00 0.00 H new ATOM 0 HB ILE A 37 8.148 -3.724 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.253 -3.630 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.871 -2.070 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.748 -5.305 0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.977 -4.535 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.283 -3.994 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.347 -3.473 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.094 -3.142 -3.179 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.466 -4.726 -2.666 1.00 0.00 H new ATOM 741 N GLY A 48 3.875 -7.189 5.979 1.00 0.00 N ATOM 742 CA GLY A 48 2.546 -7.057 5.422 1.00 0.00 C ATOM 743 C GLY A 48 2.109 -5.618 5.323 1.00 0.00 C ATOM 744 O GLY A 48 0.942 -5.308 5.555 1.00 0.00 O ATOM 0 HA2 GLY A 48 2.523 -7.511 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.838 -7.608 6.041 1.00 0.00 H new ATOM 748 N PHE A 49 3.036 -4.732 4.980 1.00 0.00 N ATOM 749 CA PHE A 49 2.718 -3.318 4.856 1.00 0.00 C ATOM 750 C PHE A 49 3.456 -2.699 3.677 1.00 0.00 C ATOM 751 O PHE A 49 4.545 -3.143 3.312 1.00 0.00 O ATOM 752 CB PHE A 49 3.088 -2.606 6.156 1.00 0.00 C ATOM 753 CG PHE A 49 2.604 -3.348 7.368 1.00 0.00 C ATOM 754 CD1 PHE A 49 1.286 -3.749 7.447 1.00 0.00 C ATOM 755 CD2 PHE A 49 3.463 -3.672 8.403 1.00 0.00 C ATOM 756 CE1 PHE A 49 0.824 -4.462 8.529 1.00 0.00 C ATOM 757 CE2 PHE A 49 3.008 -4.382 9.499 1.00 0.00 C ATOM 758 CZ PHE A 49 1.685 -4.779 9.561 1.00 0.00 C ATOM 0 H PHE A 49 4.009 -4.967 4.784 1.00 0.00 H new ATOM 0 HA PHE A 49 1.649 -3.206 4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.171 -2.492 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.662 -1.603 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.606 -3.499 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.498 -3.368 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.209 -4.773 8.571 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.685 -4.626 10.305 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.326 -5.335 10.414 1.00 0.00 H new ATOM 768 N ALA A 50 2.857 -1.673 3.081 1.00 0.00 N ATOM 769 CA ALA A 50 3.472 -1.005 1.940 1.00 0.00 C ATOM 770 C ALA A 50 2.974 0.428 1.787 1.00 0.00 C ATOM 771 O ALA A 50 2.115 0.885 2.541 1.00 0.00 O ATOM 772 CB ALA A 50 3.212 -1.797 0.668 1.00 0.00 C ATOM 0 H ALA A 50 1.956 -1.289 3.365 1.00 0.00 H new ATOM 0 HA ALA A 50 4.546 -0.959 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.676 -1.289 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.636 -2.796 0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.138 -1.874 0.501 1.00 0.00 H new ATOM 778 N PHE A 51 3.525 1.127 0.802 1.00 0.00 N ATOM 779 CA PHE A 51 3.152 2.511 0.531 1.00 0.00 C ATOM 780 C PHE A 51 2.676 2.667 -0.911 1.00 0.00 C ATOM 781 O PHE A 51 3.370 2.270 -1.845 1.00 0.00 O ATOM 782 CB PHE A 51 4.346 3.437 0.788 1.00 0.00 C ATOM 783 CG PHE A 51 4.194 4.304 2.004 1.00 0.00 C ATOM 784 CD1 PHE A 51 3.301 5.363 2.008 1.00 0.00 C ATOM 785 CD2 PHE A 51 4.945 4.061 3.142 1.00 0.00 C ATOM 786 CE1 PHE A 51 3.160 6.164 3.123 1.00 0.00 C ATOM 787 CE2 PHE A 51 4.811 4.860 4.260 1.00 0.00 C ATOM 788 CZ PHE A 51 3.916 5.913 4.252 1.00 0.00 C ATOM 0 H PHE A 51 4.237 0.755 0.173 1.00 0.00 H new ATOM 0 HA PHE A 51 2.335 2.785 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.246 2.832 0.896 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.493 4.074 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.708 5.564 1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.643 3.237 3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.460 6.986 3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.405 4.662 5.140 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.808 6.538 5.126 1.00 0.00 H new ATOM 798 N VAL A 52 1.496 3.252 -1.087 1.00 0.00 N ATOM 799 CA VAL A 52 0.938 3.464 -2.420 1.00 0.00 C ATOM 800 C VAL A 52 0.906 4.951 -2.755 1.00 0.00 C ATOM 801 O VAL A 52 0.395 5.760 -1.979 1.00 0.00 O ATOM 802 CB VAL A 52 -0.486 2.881 -2.536 1.00 0.00 C ATOM 803 CG1 VAL A 52 -0.983 2.960 -3.973 1.00 0.00 C ATOM 804 CG2 VAL A 52 -0.521 1.445 -2.030 1.00 0.00 C ATOM 0 H VAL A 52 0.907 3.588 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 52 1.583 2.945 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.152 3.477 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.989 2.544 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.001 4.001 -4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.316 2.391 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.534 1.052 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.160 0.834 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.214 1.420 -0.984 1.00 0.00 H new ATOM 814 N GLU A 53 1.460 5.312 -3.911 1.00 0.00 N ATOM 815 CA GLU A 53 1.497 6.704 -4.339 1.00 0.00 C ATOM 816 C GLU A 53 0.611 6.894 -5.557 1.00 0.00 C ATOM 817 O GLU A 53 0.609 6.068 -6.466 1.00 0.00 O ATOM 818 CB GLU A 53 2.943 7.126 -4.646 1.00 0.00 C ATOM 819 CG GLU A 53 3.074 8.443 -5.403 1.00 0.00 C ATOM 820 CD GLU A 53 3.610 9.566 -4.537 1.00 0.00 C ATOM 821 OE1 GLU A 53 4.818 9.545 -4.217 1.00 0.00 O ATOM 822 OE2 GLU A 53 2.823 10.468 -4.180 1.00 0.00 O ATOM 0 H GLU A 53 1.889 4.658 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 53 1.120 7.336 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.491 7.206 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.421 6.338 -5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.736 8.302 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.099 8.728 -5.798 1.00 0.00 H new ATOM 829 N PHE A 54 -0.143 7.981 -5.569 1.00 0.00 N ATOM 830 CA PHE A 54 -1.035 8.275 -6.672 1.00 0.00 C ATOM 831 C PHE A 54 -0.560 9.497 -7.436 1.00 0.00 C ATOM 832 O PHE A 54 0.122 10.364 -6.890 1.00 0.00 O ATOM 833 CB PHE A 54 -2.457 8.485 -6.157 1.00 0.00 C ATOM 834 CG PHE A 54 -3.080 7.223 -5.640 1.00 0.00 C ATOM 835 CD1 PHE A 54 -2.836 6.792 -4.349 1.00 0.00 C ATOM 836 CD2 PHE A 54 -3.899 6.462 -6.454 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.402 5.622 -3.876 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.468 5.294 -5.989 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.219 4.873 -4.698 1.00 0.00 C ATOM 0 H PHE A 54 -0.153 8.676 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.032 7.426 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.444 9.231 -5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.074 8.887 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.197 7.375 -3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.096 6.786 -7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.205 5.295 -2.866 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.107 4.710 -6.634 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.663 3.959 -4.332 1.00 0.00 H new ATOM 849 N GLU A 55 -0.932 9.557 -8.701 1.00 0.00 N ATOM 850 CA GLU A 55 -0.557 10.672 -9.556 1.00 0.00 C ATOM 851 C GLU A 55 -1.390 11.895 -9.210 1.00 0.00 C ATOM 852 O GLU A 55 -0.979 13.032 -9.447 1.00 0.00 O ATOM 853 CB GLU A 55 -0.754 10.297 -11.027 1.00 0.00 C ATOM 854 CG GLU A 55 0.014 11.190 -11.990 1.00 0.00 C ATOM 855 CD GLU A 55 1.375 10.628 -12.346 1.00 0.00 C ATOM 856 OE1 GLU A 55 1.433 9.488 -12.856 1.00 0.00 O ATOM 857 OE2 GLU A 55 2.385 11.326 -12.114 1.00 0.00 O ATOM 0 H GLU A 55 -1.496 8.844 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 55 0.495 10.905 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.441 9.263 -11.175 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.816 10.346 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.570 11.323 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.138 12.177 -11.544 1.00 0.00 H new ATOM 864 N LEU A 56 -2.575 11.648 -8.666 1.00 0.00 N ATOM 865 CA LEU A 56 -3.492 12.715 -8.302 1.00 0.00 C ATOM 866 C LEU A 56 -3.806 12.699 -6.807 1.00 0.00 C ATOM 867 O LEU A 56 -3.961 11.640 -6.202 1.00 0.00 O ATOM 868 CB LEU A 56 -4.782 12.565 -9.105 1.00 0.00 C ATOM 869 CG LEU A 56 -4.624 12.720 -10.618 1.00 0.00 C ATOM 870 CD1 LEU A 56 -5.911 12.330 -11.331 1.00 0.00 C ATOM 871 CD2 LEU A 56 -4.229 14.145 -10.970 1.00 0.00 C ATOM 0 H LEU A 56 -2.923 10.710 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.017 13.669 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.209 11.584 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.500 13.305 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.830 12.052 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.781 12.446 -12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.152 11.291 -11.105 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.724 12.973 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.121 14.236 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.000 14.833 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.282 14.389 -10.489 1.00 0.00 H new ATOM 883 N ALA A 57 -3.902 13.886 -6.220 1.00 0.00 N ATOM 884 CA ALA A 57 -4.205 14.016 -4.799 1.00 0.00 C ATOM 885 C ALA A 57 -5.563 13.398 -4.475 1.00 0.00 C ATOM 886 O ALA A 57 -5.715 12.689 -3.482 1.00 0.00 O ATOM 887 CB ALA A 57 -4.178 15.482 -4.387 1.00 0.00 C ATOM 0 H ALA A 57 -3.774 14.773 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.443 13.478 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.406 15.566 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.188 15.896 -4.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.921 16.035 -4.962 1.00 0.00 H new ATOM 893 N GLU A 58 -6.548 13.662 -5.322 1.00 0.00 N ATOM 894 CA GLU A 58 -7.884 13.118 -5.121 1.00 0.00 C ATOM 895 C GLU A 58 -7.869 11.600 -5.250 1.00 0.00 C ATOM 896 O GLU A 58 -8.670 10.904 -4.625 1.00 0.00 O ATOM 897 CB GLU A 58 -8.869 13.712 -6.128 1.00 0.00 C ATOM 898 CG GLU A 58 -10.297 13.230 -5.928 1.00 0.00 C ATOM 899 CD GLU A 58 -11.242 13.740 -6.997 1.00 0.00 C ATOM 900 OE1 GLU A 58 -11.358 13.080 -8.052 1.00 0.00 O ATOM 901 OE2 GLU A 58 -11.868 14.798 -6.779 1.00 0.00 O ATOM 0 H GLU A 58 -6.448 14.247 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.207 13.385 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.846 14.799 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.545 13.457 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.311 12.140 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.652 13.555 -4.950 1.00 0.00 H new ATOM 908 N ASP A 59 -6.955 11.095 -6.073 1.00 0.00 N ATOM 909 CA ASP A 59 -6.837 9.662 -6.298 1.00 0.00 C ATOM 910 C ASP A 59 -6.516 8.922 -5.001 1.00 0.00 C ATOM 911 O ASP A 59 -7.100 7.876 -4.719 1.00 0.00 O ATOM 912 CB ASP A 59 -5.759 9.385 -7.348 1.00 0.00 C ATOM 913 CG ASP A 59 -6.322 9.325 -8.754 1.00 0.00 C ATOM 914 OD1 ASP A 59 -7.463 9.788 -8.958 1.00 0.00 O ATOM 915 OD2 ASP A 59 -5.621 8.816 -9.654 1.00 0.00 O ATOM 0 H ASP A 59 -6.285 11.660 -6.595 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.796 9.295 -6.663 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.998 10.164 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.265 8.441 -7.117 1.00 0.00 H new ATOM 920 N ALA A 60 -5.595 9.466 -4.209 1.00 0.00 N ATOM 921 CA ALA A 60 -5.226 8.837 -2.944 1.00 0.00 C ATOM 922 C ALA A 60 -6.437 8.751 -2.022 1.00 0.00 C ATOM 923 O ALA A 60 -6.715 7.702 -1.446 1.00 0.00 O ATOM 924 CB ALA A 60 -4.096 9.615 -2.276 1.00 0.00 C ATOM 0 H ALA A 60 -5.096 10.331 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.875 7.825 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.831 9.135 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.226 9.630 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.422 10.637 -2.083 1.00 0.00 H new ATOM 930 N ALA A 61 -7.170 9.857 -1.913 1.00 0.00 N ATOM 931 CA ALA A 61 -8.368 9.908 -1.082 1.00 0.00 C ATOM 932 C ALA A 61 -9.335 8.799 -1.474 1.00 0.00 C ATOM 933 O ALA A 61 -10.043 8.243 -0.633 1.00 0.00 O ATOM 934 CB ALA A 61 -9.037 11.271 -1.198 1.00 0.00 C ATOM 0 H ALA A 61 -6.953 10.731 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.077 9.756 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.929 11.293 -0.572 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.344 12.046 -0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.317 11.452 -2.236 1.00 0.00 H new ATOM 940 N ALA A 62 -9.354 8.483 -2.760 1.00 0.00 N ATOM 941 CA ALA A 62 -10.225 7.437 -3.275 1.00 0.00 C ATOM 942 C ALA A 62 -9.786 6.085 -2.732 1.00 0.00 C ATOM 943 O ALA A 62 -10.607 5.306 -2.254 1.00 0.00 O ATOM 944 CB ALA A 62 -10.220 7.446 -4.796 1.00 0.00 C ATOM 0 H ALA A 62 -8.775 8.937 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.246 7.625 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.876 6.658 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.574 8.412 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.206 7.274 -5.158 1.00 0.00 H new ATOM 950 N ALA A 63 -8.479 5.834 -2.765 1.00 0.00 N ATOM 951 CA ALA A 63 -7.933 4.595 -2.230 1.00 0.00 C ATOM 952 C ALA A 63 -8.166 4.567 -0.728 1.00 0.00 C ATOM 953 O ALA A 63 -8.399 3.517 -0.132 1.00 0.00 O ATOM 954 CB ALA A 63 -6.449 4.481 -2.550 1.00 0.00 C ATOM 0 H ALA A 63 -7.784 6.470 -3.155 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.434 3.744 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.059 3.548 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.308 4.491 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.916 5.322 -2.107 1.00 0.00 H new ATOM 960 N ILE A 64 -8.119 5.751 -0.137 1.00 0.00 N ATOM 961 CA ILE A 64 -8.345 5.927 1.284 1.00 0.00 C ATOM 962 C ILE A 64 -9.787 5.583 1.633 1.00 0.00 C ATOM 963 O ILE A 64 -10.052 4.809 2.544 1.00 0.00 O ATOM 964 CB ILE A 64 -8.075 7.391 1.683 1.00 0.00 C ATOM 965 CG1 ILE A 64 -6.602 7.741 1.483 1.00 0.00 C ATOM 966 CG2 ILE A 64 -8.484 7.665 3.128 1.00 0.00 C ATOM 967 CD1 ILE A 64 -6.304 9.213 1.664 1.00 0.00 C ATOM 0 H ILE A 64 -7.922 6.619 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.669 5.265 1.825 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.683 8.022 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.001 7.167 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.297 7.437 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.279 8.707 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.549 7.467 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.917 7.017 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.240 9.391 1.508 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.879 9.792 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.578 9.518 2.674 1.00 0.00 H new ATOM 979 N ASP A 65 -10.715 6.188 0.906 1.00 0.00 N ATOM 980 CA ASP A 65 -12.135 5.970 1.143 1.00 0.00 C ATOM 981 C ASP A 65 -12.616 4.643 0.559 1.00 0.00 C ATOM 982 O ASP A 65 -13.725 4.199 0.859 1.00 0.00 O ATOM 983 CB ASP A 65 -12.941 7.125 0.550 1.00 0.00 C ATOM 984 CG ASP A 65 -13.006 8.316 1.486 1.00 0.00 C ATOM 985 OD1 ASP A 65 -11.935 8.772 1.941 1.00 0.00 O ATOM 986 OD2 ASP A 65 -14.126 8.792 1.766 1.00 0.00 O ATOM 0 H ASP A 65 -10.510 6.835 0.145 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.289 5.927 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.493 7.431 -0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.952 6.784 0.327 1.00 0.00 H new ATOM 991 N ASN A 66 -11.795 4.014 -0.277 1.00 0.00 N ATOM 992 CA ASN A 66 -12.181 2.737 -0.889 1.00 0.00 C ATOM 993 C ASN A 66 -11.453 1.555 -0.256 1.00 0.00 C ATOM 994 O ASN A 66 -12.062 0.526 0.038 1.00 0.00 O ATOM 995 CB ASN A 66 -11.913 2.753 -2.398 1.00 0.00 C ATOM 996 CG ASN A 66 -13.042 3.396 -3.182 1.00 0.00 C ATOM 997 OD1 ASN A 66 -13.764 2.722 -3.917 1.00 0.00 O ATOM 998 ND2 ASN A 66 -13.200 4.705 -3.027 1.00 0.00 N ATOM 0 H ASN A 66 -10.873 4.356 -0.546 1.00 0.00 H new ATOM 0 HA ASN A 66 -13.249 2.614 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -10.986 3.292 -2.593 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.767 1.731 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.943 5.192 -3.528 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.578 5.224 -2.407 1.00 0.00 H new ATOM 1005 N MET A 67 -10.147 1.696 -0.073 1.00 0.00 N ATOM 1006 CA MET A 67 -9.332 0.626 0.496 1.00 0.00 C ATOM 1007 C MET A 67 -9.497 0.507 2.011 1.00 0.00 C ATOM 1008 O MET A 67 -9.355 -0.581 2.568 1.00 0.00 O ATOM 1009 CB MET A 67 -7.862 0.854 0.154 1.00 0.00 C ATOM 1010 CG MET A 67 -7.064 -0.432 0.039 1.00 0.00 C ATOM 1011 SD MET A 67 -7.174 -1.171 -1.602 1.00 0.00 S ATOM 1012 CE MET A 67 -8.475 -2.375 -1.351 1.00 0.00 C ATOM 0 H MET A 67 -9.627 2.541 -0.310 1.00 0.00 H new ATOM 0 HA MET A 67 -9.678 -0.310 0.057 1.00 0.00 H new ATOM 0 HB2 MET A 67 -7.796 1.399 -0.787 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.412 1.485 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 67 -6.019 -0.229 0.273 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.424 -1.146 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.149 -3.346 -1.725 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.699 -2.452 -0.287 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.370 -2.061 -1.888 1.00 0.00 H new ATOM 1022 N ASN A 68 -9.781 1.619 2.680 1.00 0.00 N ATOM 1023 CA ASN A 68 -9.944 1.604 4.130 1.00 0.00 C ATOM 1024 C ASN A 68 -11.035 0.627 4.552 1.00 0.00 C ATOM 1025 O ASN A 68 -12.207 0.806 4.224 1.00 0.00 O ATOM 1026 CB ASN A 68 -10.264 3.004 4.654 1.00 0.00 C ATOM 1027 CG ASN A 68 -9.788 3.213 6.078 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -10.048 2.396 6.960 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -9.084 4.317 6.308 1.00 0.00 N ATOM 0 H ASN A 68 -9.902 2.535 2.247 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.000 1.273 4.564 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.798 3.746 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.340 3.169 4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.736 4.514 7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.892 4.967 5.546 1.00 0.00 H new ATOM 1036 N GLU A 69 -10.628 -0.409 5.279 1.00 0.00 N ATOM 1037 CA GLU A 69 -11.550 -1.434 5.763 1.00 0.00 C ATOM 1038 C GLU A 69 -12.128 -2.248 4.609 1.00 0.00 C ATOM 1039 O GLU A 69 -13.344 -2.329 4.439 1.00 0.00 O ATOM 1040 CB GLU A 69 -12.679 -0.803 6.585 1.00 0.00 C ATOM 1041 CG GLU A 69 -12.242 -0.337 7.966 1.00 0.00 C ATOM 1042 CD GLU A 69 -13.188 -0.786 9.063 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -13.461 -2.002 9.150 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -13.654 0.077 9.837 1.00 0.00 O ATOM 0 H GLU A 69 -9.656 -0.562 5.549 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.985 -2.110 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.085 0.047 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.486 -1.528 6.694 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.243 -0.720 8.175 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.174 0.751 7.973 1.00 0.00 H new ATOM 1051 N SER A 70 -11.245 -2.857 3.823 1.00 0.00 N ATOM 1052 CA SER A 70 -11.659 -3.675 2.687 1.00 0.00 C ATOM 1053 C SER A 70 -11.149 -5.105 2.843 1.00 0.00 C ATOM 1054 O SER A 70 -10.708 -5.501 3.921 1.00 0.00 O ATOM 1055 CB SER A 70 -11.147 -3.066 1.378 1.00 0.00 C ATOM 1056 OG SER A 70 -12.223 -2.698 0.532 1.00 0.00 O ATOM 0 H SER A 70 -10.235 -2.799 3.952 1.00 0.00 H new ATOM 0 HA SER A 70 -12.748 -3.699 2.657 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.535 -2.190 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.506 -3.783 0.866 1.00 0.00 H new ATOM 0 HG SER A 70 -12.196 -1.732 0.370 1.00 0.00 H new ATOM 1062 N GLU A 71 -11.211 -5.878 1.761 1.00 0.00 N ATOM 1063 CA GLU A 71 -10.754 -7.263 1.786 1.00 0.00 C ATOM 1064 C GLU A 71 -9.928 -7.586 0.544 1.00 0.00 C ATOM 1065 O GLU A 71 -10.382 -7.393 -0.583 1.00 0.00 O ATOM 1066 CB GLU A 71 -11.949 -8.215 1.887 1.00 0.00 C ATOM 1067 CG GLU A 71 -11.801 -9.262 2.977 1.00 0.00 C ATOM 1068 CD GLU A 71 -13.066 -10.071 3.184 1.00 0.00 C ATOM 1069 OE1 GLU A 71 -13.999 -9.559 3.835 1.00 0.00 O ATOM 1070 OE2 GLU A 71 -13.124 -11.218 2.694 1.00 0.00 O ATOM 0 H GLU A 71 -11.572 -5.569 0.859 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.121 -7.396 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.852 -7.633 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.085 -8.717 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.982 -9.934 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.531 -8.772 3.912 1.00 0.00 H new ATOM 1077 N LEU A 72 -8.714 -8.085 0.760 1.00 0.00 N ATOM 1078 CA LEU A 72 -7.826 -8.441 -0.342 1.00 0.00 C ATOM 1079 C LEU A 72 -7.100 -9.744 -0.038 1.00 0.00 C ATOM 1080 O LEU A 72 -6.430 -9.864 0.987 1.00 0.00 O ATOM 1081 CB LEU A 72 -6.818 -7.318 -0.596 1.00 0.00 C ATOM 1082 CG LEU A 72 -6.516 -7.038 -2.070 1.00 0.00 C ATOM 1083 CD1 LEU A 72 -7.748 -6.481 -2.769 1.00 0.00 C ATOM 1084 CD2 LEU A 72 -5.343 -6.074 -2.201 1.00 0.00 C ATOM 0 H LEU A 72 -8.323 -8.252 1.687 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.427 -8.580 -1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.194 -6.403 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.885 -7.567 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.243 -7.977 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.516 -6.287 -3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.561 -7.204 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.051 -5.552 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.142 -5.886 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.587 -5.134 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.459 -6.511 -1.736 1.00 0.00 H new ATOM 1096 N PHE A 73 -7.242 -10.724 -0.926 1.00 0.00 N ATOM 1097 CA PHE A 73 -6.601 -12.017 -0.730 1.00 0.00 C ATOM 1098 C PHE A 73 -7.020 -12.613 0.609 1.00 0.00 C ATOM 1099 O PHE A 73 -6.203 -13.172 1.340 1.00 0.00 O ATOM 1100 CB PHE A 73 -5.079 -11.873 -0.790 1.00 0.00 C ATOM 1101 CG PHE A 73 -4.559 -11.582 -2.170 1.00 0.00 C ATOM 1102 CD1 PHE A 73 -4.963 -12.347 -3.252 1.00 0.00 C ATOM 1103 CD2 PHE A 73 -3.665 -10.544 -2.384 1.00 0.00 C ATOM 1104 CE1 PHE A 73 -4.487 -12.082 -4.522 1.00 0.00 C ATOM 1105 CE2 PHE A 73 -3.186 -10.276 -3.651 1.00 0.00 C ATOM 1106 CZ PHE A 73 -3.597 -11.045 -4.722 1.00 0.00 C ATOM 0 H PHE A 73 -7.791 -10.647 -1.782 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.918 -12.687 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.771 -11.072 -0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.620 -12.791 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -5.658 -13.160 -3.101 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.340 -9.939 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.811 -12.685 -5.357 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.490 -9.465 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.223 -10.836 -5.714 1.00 0.00 H new ATOM 1116 N GLY A 74 -8.306 -12.477 0.925 1.00 0.00 N ATOM 1117 CA GLY A 74 -8.825 -12.995 2.176 1.00 0.00 C ATOM 1118 C GLY A 74 -8.265 -12.265 3.382 1.00 0.00 C ATOM 1119 O GLY A 74 -8.344 -12.762 4.506 1.00 0.00 O ATOM 0 H GLY A 74 -8.998 -12.016 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.912 -12.912 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.586 -14.056 2.254 1.00 0.00 H new ATOM 1123 N ARG A 75 -7.689 -11.086 3.152 1.00 0.00 N ATOM 1124 CA ARG A 75 -7.105 -10.297 4.227 1.00 0.00 C ATOM 1125 C ARG A 75 -7.694 -8.892 4.281 1.00 0.00 C ATOM 1126 O ARG A 75 -7.873 -8.241 3.252 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.592 -10.215 4.043 1.00 0.00 C ATOM 1128 CG ARG A 75 -4.896 -11.558 4.179 1.00 0.00 C ATOM 1129 CD ARG A 75 -4.343 -11.748 5.579 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.459 -12.909 5.676 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.854 -14.121 6.063 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -5.121 -14.349 6.390 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -2.975 -15.114 6.124 1.00 0.00 N ATOM 0 H ARG A 75 -7.616 -10.659 2.229 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.338 -10.793 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.375 -9.799 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.180 -9.524 4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.598 -12.360 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.086 -11.627 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.796 -10.853 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.169 -11.864 6.280 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.477 -12.783 5.432 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.803 -13.592 6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.412 -15.281 6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.000 -14.948 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.275 -16.043 6.420 1.00 0.00 H new ATOM 1147 N THR A 76 -7.974 -8.426 5.494 1.00 0.00 N ATOM 1148 CA THR A 76 -8.521 -7.092 5.697 1.00 0.00 C ATOM 1149 C THR A 76 -7.395 -6.068 5.734 1.00 0.00 C ATOM 1150 O THR A 76 -6.502 -6.147 6.579 1.00 0.00 O ATOM 1151 CB THR A 76 -9.325 -7.035 6.998 1.00 0.00 C ATOM 1152 OG1 THR A 76 -10.311 -8.053 7.025 1.00 0.00 O ATOM 1153 CG2 THR A 76 -10.025 -5.709 7.209 1.00 0.00 C ATOM 0 H THR A 76 -7.830 -8.956 6.353 1.00 0.00 H new ATOM 0 HA THR A 76 -9.188 -6.859 4.867 1.00 0.00 H new ATOM 0 HB THR A 76 -8.595 -7.174 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.813 -8.000 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.577 -5.734 8.149 1.00 0.00 H new ATOM 0 HG22 THR A 76 -9.286 -4.909 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.717 -5.528 6.387 1.00 0.00 H new ATOM 1161 N ILE A 77 -7.434 -5.116 4.813 1.00 0.00 N ATOM 1162 CA ILE A 77 -6.408 -4.088 4.738 1.00 0.00 C ATOM 1163 C ILE A 77 -6.967 -2.713 5.076 1.00 0.00 C ATOM 1164 O ILE A 77 -8.151 -2.439 4.877 1.00 0.00 O ATOM 1165 CB ILE A 77 -5.768 -4.031 3.340 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -6.849 -3.965 2.260 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -4.864 -5.235 3.116 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -6.293 -3.791 0.863 1.00 0.00 C ATOM 0 H ILE A 77 -8.166 -5.035 4.107 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.649 -4.358 5.472 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.160 -3.129 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.444 -4.878 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.523 -3.137 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.420 -5.177 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.073 -5.241 3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.450 -6.150 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.114 -3.752 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.722 -2.864 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.642 -4.632 0.623 1.00 0.00 H new ATOM 1180 N ARG A 78 -6.094 -1.854 5.575 1.00 0.00 N ATOM 1181 CA ARG A 78 -6.464 -0.489 5.936 1.00 0.00 C ATOM 1182 C ARG A 78 -5.461 0.496 5.349 1.00 0.00 C ATOM 1183 O ARG A 78 -4.253 0.263 5.393 1.00 0.00 O ATOM 1184 CB ARG A 78 -6.528 -0.331 7.457 1.00 0.00 C ATOM 1185 CG ARG A 78 -5.169 -0.392 8.137 1.00 0.00 C ATOM 1186 CD ARG A 78 -5.298 -0.459 9.649 1.00 0.00 C ATOM 1187 NE ARG A 78 -5.631 -1.803 10.115 1.00 0.00 N ATOM 1188 CZ ARG A 78 -5.712 -2.141 11.400 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -5.477 -1.240 12.345 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -6.028 -3.383 11.742 1.00 0.00 N ATOM 0 H ARG A 78 -5.113 -2.078 5.742 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.452 -0.279 5.526 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.001 0.622 7.695 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.165 -1.114 7.868 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.623 -1.265 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.584 0.485 7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.362 -0.139 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.068 0.239 9.978 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.812 -2.523 9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.233 -0.283 12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.540 -1.504 13.328 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.209 -4.080 11.020 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.090 -3.641 12.727 1.00 0.00 H new ATOM 1204 N VAL A 79 -5.960 1.595 4.796 1.00 0.00 N ATOM 1205 CA VAL A 79 -5.092 2.601 4.200 1.00 0.00 C ATOM 1206 C VAL A 79 -5.213 3.936 4.934 1.00 0.00 C ATOM 1207 O VAL A 79 -6.252 4.244 5.518 1.00 0.00 O ATOM 1208 CB VAL A 79 -5.423 2.788 2.702 1.00 0.00 C ATOM 1209 CG1 VAL A 79 -4.590 3.902 2.082 1.00 0.00 C ATOM 1210 CG2 VAL A 79 -5.204 1.483 1.954 1.00 0.00 C ATOM 0 H VAL A 79 -6.956 1.811 4.748 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.064 2.250 4.292 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.471 3.075 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.848 4.006 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.793 4.839 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.531 3.659 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.440 1.624 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.163 1.176 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.852 0.712 2.370 1.00 0.00 H new ATOM 1220 N ASN A 80 -4.139 4.723 4.904 1.00 0.00 N ATOM 1221 CA ASN A 80 -4.117 6.022 5.569 1.00 0.00 C ATOM 1222 C ASN A 80 -3.226 7.001 4.814 1.00 0.00 C ATOM 1223 O ASN A 80 -2.423 6.597 3.975 1.00 0.00 O ATOM 1224 CB ASN A 80 -3.626 5.873 7.011 1.00 0.00 C ATOM 1225 CG ASN A 80 -4.747 5.525 7.971 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -4.940 4.361 8.323 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -5.490 6.536 8.403 1.00 0.00 N ATOM 0 H ASN A 80 -3.271 4.482 4.425 1.00 0.00 H new ATOM 0 HA ASN A 80 -5.133 6.416 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.861 5.097 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.155 6.803 7.329 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.257 6.364 9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.294 7.485 8.085 1.00 0.00 H new ATOM 1234 N LEU A 81 -3.367 8.291 5.115 1.00 0.00 N ATOM 1235 CA LEU A 81 -2.563 9.319 4.456 1.00 0.00 C ATOM 1236 C LEU A 81 -1.418 9.781 5.349 1.00 0.00 C ATOM 1237 O LEU A 81 -1.630 10.444 6.364 1.00 0.00 O ATOM 1238 CB LEU A 81 -3.431 10.518 4.043 1.00 0.00 C ATOM 1239 CG LEU A 81 -4.222 11.197 5.166 1.00 0.00 C ATOM 1240 CD1 LEU A 81 -4.580 12.622 4.770 1.00 0.00 C ATOM 1241 CD2 LEU A 81 -5.482 10.404 5.500 1.00 0.00 C ATOM 0 H LEU A 81 -4.026 8.648 5.807 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.138 8.874 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.786 11.264 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.135 10.185 3.280 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.595 11.227 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.142 13.093 5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.667 13.188 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.188 12.606 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.026 10.906 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.116 10.338 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.205 9.401 5.824 1.00 0.00 H new