USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 615 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.022 F(o=-1.1,f=-0.022) USER MOD Single : A 24 THR OG1 : rot -81:sc= 1.25 USER MOD Single : A 25 SER OG : rot 180:sc= -0.197 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00668 USER MOD Single : A 40 TYR OH : rot 27:sc= -3.66! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.0722 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 60 THR OG1 : rot -41:sc= 0.764 USER MOD Single : A 62 ASN : amide:sc= -0.0515 K(o=-0.051,f=-2.7!) USER MOD Single : A 63 SER OG : rot 26:sc= 0.0928 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.94! C(o=-1.9!,f=-2.5!) USER MOD Single : A 74 GLN : amide:sc= -2.76 K(o=-2.8,f=-4.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0206 USER MOD Single : A 76 ASN : amide:sc= -0.0508 K(o=-0.051,f=-1.9!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc=-0.00535 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 82:sc= 0.963 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 94 GLN :FLIP amide:sc= -1.9! C(o=-2.8!,f=-1.9!) USER MOD Single : A 95 GLN :FLIP amide:sc= -1.1 F(o=-3.6!,f=-1.1) USER MOD Single : A 97 THR OG1 : rot -154:sc= 1.97 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 12 1.937 -11.626 4.380 1.00 0.00 N ATOM 142 CA ALA A 12 2.068 -10.268 3.880 1.00 0.00 C ATOM 143 C ALA A 12 3.497 -9.784 4.073 1.00 0.00 C ATOM 144 O ALA A 12 4.201 -10.269 4.962 1.00 0.00 O ATOM 145 CB ALA A 12 1.115 -9.350 4.621 1.00 0.00 C ATOM 0 HA ALA A 12 1.823 -10.256 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.219 -8.334 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.091 -9.691 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.349 -9.365 5.685 1.00 0.00 H new ATOM 151 N PRO A 13 3.949 -8.835 3.241 1.00 0.00 N ATOM 152 CA PRO A 13 5.268 -8.224 3.396 1.00 0.00 C ATOM 153 C PRO A 13 5.396 -7.483 4.722 1.00 0.00 C ATOM 154 O PRO A 13 4.530 -6.675 5.065 1.00 0.00 O ATOM 155 CB PRO A 13 5.342 -7.226 2.234 1.00 0.00 C ATOM 156 CG PRO A 13 4.331 -7.704 1.256 1.00 0.00 C ATOM 157 CD PRO A 13 3.227 -8.287 2.081 1.00 0.00 C ATOM 0 HA PRO A 13 6.065 -8.968 3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.120 -6.213 2.569 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.339 -7.205 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.967 -6.886 0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.756 -8.450 0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.499 -7.531 2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.682 -9.061 1.540 1.00 0.00 H new ATOM 165 N PRO A 14 6.459 -7.771 5.498 1.00 0.00 N ATOM 166 CA PRO A 14 6.761 -7.039 6.730 1.00 0.00 C ATOM 167 C PRO A 14 6.676 -5.537 6.516 1.00 0.00 C ATOM 168 O PRO A 14 7.118 -5.036 5.477 1.00 0.00 O ATOM 169 CB PRO A 14 8.194 -7.464 7.046 1.00 0.00 C ATOM 170 CG PRO A 14 8.315 -8.830 6.468 1.00 0.00 C ATOM 171 CD PRO A 14 7.435 -8.847 5.245 1.00 0.00 C ATOM 0 HA PRO A 14 6.059 -7.258 7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.918 -6.780 6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.378 -7.470 8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.350 -9.052 6.207 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.998 -9.586 7.186 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.009 -8.661 4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 14 6.943 -9.812 5.120 1.00 0.00 H new ATOM 179 N ASP A 15 6.119 -4.849 7.524 1.00 0.00 N ATOM 180 CA ASP A 15 5.729 -3.438 7.430 1.00 0.00 C ATOM 181 C ASP A 15 6.664 -2.633 6.533 1.00 0.00 C ATOM 182 O ASP A 15 7.810 -2.357 6.878 1.00 0.00 O ATOM 183 CB ASP A 15 5.638 -2.799 8.825 1.00 0.00 C ATOM 184 CG ASP A 15 6.922 -2.893 9.627 1.00 0.00 C ATOM 185 OD1 ASP A 15 7.160 -3.949 10.255 1.00 0.00 O ATOM 186 OD2 ASP A 15 7.689 -1.907 9.651 1.00 0.00 O ATOM 0 H ASP A 15 5.926 -5.263 8.436 1.00 0.00 H new ATOM 0 HA ASP A 15 4.742 -3.416 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.365 -1.749 8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.836 -3.281 9.384 1.00 0.00 H new ATOM 191 N PRO A 16 6.162 -2.283 5.342 1.00 0.00 N ATOM 192 CA PRO A 16 6.904 -1.508 4.341 1.00 0.00 C ATOM 193 C PRO A 16 7.287 -0.126 4.836 1.00 0.00 C ATOM 194 O PRO A 16 6.625 0.457 5.699 1.00 0.00 O ATOM 195 CB PRO A 16 5.924 -1.412 3.159 1.00 0.00 C ATOM 196 CG PRO A 16 5.000 -2.554 3.372 1.00 0.00 C ATOM 197 CD PRO A 16 4.828 -2.643 4.856 1.00 0.00 C ATOM 0 HA PRO A 16 7.852 -1.982 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.391 -0.461 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.442 -1.489 2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.045 -2.387 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.414 -3.477 2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.063 -1.957 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.535 -3.644 5.173 1.00 0.00 H new ATOM 205 N THR A 17 8.366 0.385 4.291 1.00 0.00 N ATOM 206 CA THR A 17 8.874 1.680 4.682 1.00 0.00 C ATOM 207 C THR A 17 8.625 2.701 3.595 1.00 0.00 C ATOM 208 O THR A 17 8.917 2.474 2.419 1.00 0.00 O ATOM 209 CB THR A 17 10.378 1.612 5.001 1.00 0.00 C ATOM 210 OG1 THR A 17 10.645 0.482 5.847 1.00 0.00 O ATOM 211 CG2 THR A 17 10.848 2.883 5.694 1.00 0.00 C ATOM 0 H THR A 17 8.914 -0.082 3.568 1.00 0.00 H new ATOM 0 HA THR A 17 8.343 1.985 5.583 1.00 0.00 H new ATOM 0 HB THR A 17 10.920 1.508 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.604 0.442 6.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.914 2.808 5.908 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.668 3.740 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.299 3.013 6.627 1.00 0.00 H new ATOM 219 N VAL A 18 8.031 3.795 4.007 1.00 0.00 N ATOM 220 CA VAL A 18 7.833 4.938 3.132 1.00 0.00 C ATOM 221 C VAL A 18 9.135 5.725 3.010 1.00 0.00 C ATOM 222 O VAL A 18 9.649 6.257 3.995 1.00 0.00 O ATOM 223 CB VAL A 18 6.700 5.856 3.635 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.621 7.126 2.793 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.366 5.118 3.624 1.00 0.00 C ATOM 0 H VAL A 18 7.671 3.923 4.953 1.00 0.00 H new ATOM 0 HA VAL A 18 7.539 4.563 2.152 1.00 0.00 H new ATOM 0 HB VAL A 18 6.923 6.143 4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.815 7.759 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.566 7.665 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.425 6.862 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.580 5.782 3.982 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.136 4.798 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.428 4.245 4.274 1.00 0.00 H new ATOM 235 N ASP A 19 9.661 5.785 1.798 1.00 0.00 N ATOM 236 CA ASP A 19 10.967 6.385 1.547 1.00 0.00 C ATOM 237 C ASP A 19 10.864 7.899 1.400 1.00 0.00 C ATOM 238 O ASP A 19 11.737 8.638 1.859 1.00 0.00 O ATOM 239 CB ASP A 19 11.587 5.778 0.287 1.00 0.00 C ATOM 240 CG ASP A 19 12.942 6.368 -0.040 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.917 6.067 0.676 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.044 7.131 -1.019 1.00 0.00 O ATOM 0 H ASP A 19 9.201 5.423 0.963 1.00 0.00 H new ATOM 0 HA ASP A 19 11.606 6.173 2.404 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.687 4.701 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.914 5.935 -0.556 1.00 0.00 H new ATOM 247 N GLN A 20 9.785 8.355 0.781 1.00 0.00 N ATOM 248 CA GLN A 20 9.579 9.780 0.551 1.00 0.00 C ATOM 249 C GLN A 20 8.150 10.170 0.882 1.00 0.00 C ATOM 250 O GLN A 20 7.205 9.443 0.563 1.00 0.00 O ATOM 251 CB GLN A 20 9.886 10.156 -0.905 1.00 0.00 C ATOM 252 CG GLN A 20 11.333 9.939 -1.317 1.00 0.00 C ATOM 253 CD GLN A 20 11.626 10.435 -2.724 1.00 0.00 C ATOM 254 OE1 GLN A 20 10.976 11.516 -3.126 1.00 0.00 O flip ATOM 255 NE2 GLN A 20 12.451 9.866 -3.438 1.00 0.00 N flip ATOM 0 H GLN A 20 9.037 7.759 0.428 1.00 0.00 H new ATOM 0 HA GLN A 20 10.263 10.322 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.242 9.571 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.630 11.204 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.987 10.452 -0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.568 8.876 -1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.934 9.035 -3.097 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.652 10.225 -4.371 1.00 0.00 H new ATOM 264 N VAL A 21 8.004 11.314 1.532 1.00 0.00 N ATOM 265 CA VAL A 21 6.695 11.821 1.916 1.00 0.00 C ATOM 266 C VAL A 21 6.516 13.272 1.481 1.00 0.00 C ATOM 267 O VAL A 21 7.277 14.154 1.880 1.00 0.00 O ATOM 268 CB VAL A 21 6.452 11.702 3.439 1.00 0.00 C ATOM 269 CG1 VAL A 21 6.186 10.257 3.824 1.00 0.00 C ATOM 270 CG2 VAL A 21 7.635 12.246 4.229 1.00 0.00 C ATOM 0 H VAL A 21 8.782 11.913 1.807 1.00 0.00 H new ATOM 0 HA VAL A 21 5.959 11.202 1.403 1.00 0.00 H new ATOM 0 HB VAL A 21 5.575 12.300 3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.017 10.192 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.303 9.896 3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.046 9.644 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.435 12.149 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.532 11.682 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.785 13.297 3.982 1.00 0.00 H new ATOM 280 N ASP A 22 5.509 13.510 0.654 1.00 0.00 N ATOM 281 CA ASP A 22 5.228 14.847 0.146 1.00 0.00 C ATOM 282 C ASP A 22 3.742 15.156 0.255 1.00 0.00 C ATOM 283 O ASP A 22 3.008 14.469 0.963 1.00 0.00 O ATOM 284 CB ASP A 22 5.680 14.984 -1.313 1.00 0.00 C ATOM 285 CG ASP A 22 7.184 15.065 -1.461 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.734 16.181 -1.355 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.823 14.016 -1.697 1.00 0.00 O ATOM 0 H ASP A 22 4.869 12.791 0.318 1.00 0.00 H new ATOM 0 HA ASP A 22 5.786 15.560 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.310 14.132 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.229 15.878 -1.745 1.00 0.00 H new ATOM 292 N ASP A 23 3.314 16.201 -0.439 1.00 0.00 N ATOM 293 CA ASP A 23 1.919 16.624 -0.446 1.00 0.00 C ATOM 294 C ASP A 23 1.021 15.613 -1.144 1.00 0.00 C ATOM 295 O ASP A 23 0.162 14.994 -0.522 1.00 0.00 O ATOM 296 CB ASP A 23 1.793 17.988 -1.136 1.00 0.00 C ATOM 297 CG ASP A 23 2.557 18.064 -2.446 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.797 18.202 -2.405 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.929 17.979 -3.518 1.00 0.00 O ATOM 0 H ASP A 23 3.925 16.781 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 23 1.592 16.699 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.740 18.198 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.158 18.764 -0.463 1.00 0.00 H new ATOM 304 N THR A 24 1.240 15.451 -2.434 1.00 0.00 N ATOM 305 CA THR A 24 0.370 14.658 -3.278 1.00 0.00 C ATOM 306 C THR A 24 1.106 13.439 -3.824 1.00 0.00 C ATOM 307 O THR A 24 0.870 13.005 -4.949 1.00 0.00 O ATOM 308 CB THR A 24 -0.146 15.529 -4.436 1.00 0.00 C ATOM 309 OG1 THR A 24 0.962 16.134 -5.119 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.061 16.622 -3.910 1.00 0.00 C ATOM 0 H THR A 24 2.030 15.868 -2.928 1.00 0.00 H new ATOM 0 HA THR A 24 -0.472 14.304 -2.683 1.00 0.00 H new ATOM 0 HB THR A 24 -0.704 14.894 -5.124 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.262 16.923 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.418 17.230 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.912 16.170 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.511 17.252 -3.211 1.00 0.00 H new ATOM 318 N SER A 25 1.986 12.887 -3.002 1.00 0.00 N ATOM 319 CA SER A 25 2.850 11.789 -3.411 1.00 0.00 C ATOM 320 C SER A 25 3.574 11.191 -2.206 1.00 0.00 C ATOM 321 O SER A 25 4.152 11.917 -1.393 1.00 0.00 O ATOM 322 CB SER A 25 3.857 12.257 -4.471 1.00 0.00 C ATOM 323 OG SER A 25 4.521 13.444 -4.064 1.00 0.00 O ATOM 0 H SER A 25 2.121 13.186 -2.036 1.00 0.00 H new ATOM 0 HA SER A 25 2.226 11.012 -3.852 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.590 11.471 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.340 12.432 -5.414 1.00 0.00 H new ATOM 0 HG SER A 25 5.157 13.717 -4.758 1.00 0.00 H new ATOM 329 N ILE A 26 3.524 9.874 -2.090 1.00 0.00 N ATOM 330 CA ILE A 26 4.213 9.151 -1.013 1.00 0.00 C ATOM 331 C ILE A 26 4.671 7.798 -1.536 1.00 0.00 C ATOM 332 O ILE A 26 3.919 7.125 -2.217 1.00 0.00 O ATOM 333 CB ILE A 26 3.299 8.961 0.234 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.251 10.240 1.075 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.760 7.791 1.091 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.351 10.139 2.288 1.00 0.00 C ATOM 0 H ILE A 26 3.010 9.271 -2.732 1.00 0.00 H new ATOM 0 HA ILE A 26 5.073 9.742 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 26 2.296 8.741 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.261 10.487 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.909 11.064 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.099 7.688 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.733 6.875 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.779 7.971 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.368 11.082 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.332 9.924 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.704 9.338 2.937 1.00 0.00 H new ATOM 348 N VAL A 27 5.890 7.388 -1.234 1.00 0.00 N ATOM 349 CA VAL A 27 6.407 6.160 -1.811 1.00 0.00 C ATOM 350 C VAL A 27 6.643 5.127 -0.733 1.00 0.00 C ATOM 351 O VAL A 27 7.298 5.412 0.262 1.00 0.00 O ATOM 352 CB VAL A 27 7.726 6.378 -2.560 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.146 5.085 -3.240 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.595 7.509 -3.568 1.00 0.00 C ATOM 0 H VAL A 27 6.529 7.875 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 27 5.654 5.813 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 27 8.497 6.665 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.084 5.242 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.280 4.306 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.375 4.778 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.544 7.645 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.817 7.264 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.330 8.430 -3.049 1.00 0.00 H new ATOM 364 N VAL A 28 6.134 3.926 -0.936 1.00 0.00 N ATOM 365 CA VAL A 28 6.265 2.890 0.066 1.00 0.00 C ATOM 366 C VAL A 28 6.937 1.662 -0.537 1.00 0.00 C ATOM 367 O VAL A 28 6.713 1.343 -1.704 1.00 0.00 O ATOM 368 CB VAL A 28 4.896 2.516 0.688 1.00 0.00 C ATOM 369 CG1 VAL A 28 3.861 3.594 0.456 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.404 1.176 0.195 1.00 0.00 C ATOM 0 H VAL A 28 5.631 3.647 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 28 6.890 3.278 0.870 1.00 0.00 H new ATOM 0 HB VAL A 28 5.051 2.434 1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.915 3.294 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.199 4.526 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.722 3.740 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.442 0.950 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.291 1.206 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.124 0.403 0.463 1.00 0.00 H new ATOM 380 N ARG A 29 7.762 0.997 0.266 1.00 0.00 N ATOM 381 CA ARG A 29 8.531 -0.167 -0.181 1.00 0.00 C ATOM 382 C ARG A 29 8.317 -1.336 0.766 1.00 0.00 C ATOM 383 O ARG A 29 8.626 -1.246 1.952 1.00 0.00 O ATOM 384 CB ARG A 29 10.027 0.164 -0.242 1.00 0.00 C ATOM 385 CG ARG A 29 10.381 1.295 -1.195 1.00 0.00 C ATOM 386 CD ARG A 29 11.876 1.566 -1.200 1.00 0.00 C ATOM 387 NE ARG A 29 12.252 2.559 -2.206 1.00 0.00 N ATOM 388 CZ ARG A 29 13.290 3.389 -2.089 1.00 0.00 C ATOM 389 NH1 ARG A 29 14.078 3.334 -1.020 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.545 4.268 -3.050 1.00 0.00 N ATOM 0 H ARG A 29 7.918 1.246 1.243 1.00 0.00 H new ATOM 0 HA ARG A 29 8.183 -0.438 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.370 0.427 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.573 -0.731 -0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.052 1.041 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.846 2.199 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.184 1.915 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.412 0.636 -1.391 1.00 0.00 H new ATOM 0 HE ARG A 29 11.684 2.621 -3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.891 2.654 -0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.870 3.971 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.948 4.308 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.338 4.903 -2.963 1.00 0.00 H new ATOM 404 N TRP A 30 7.829 -2.436 0.218 1.00 0.00 N ATOM 405 CA TRP A 30 7.445 -3.600 1.015 1.00 0.00 C ATOM 406 C TRP A 30 8.374 -4.791 0.782 1.00 0.00 C ATOM 407 O TRP A 30 8.801 -5.053 -0.344 1.00 0.00 O ATOM 408 CB TRP A 30 5.984 -3.994 0.722 1.00 0.00 C ATOM 409 CG TRP A 30 5.662 -4.183 -0.724 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.905 -5.284 -1.474 1.00 0.00 C ATOM 411 CD2 TRP A 30 4.993 -3.258 -1.580 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.475 -5.090 -2.760 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.895 -3.857 -2.846 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.473 -1.980 -1.398 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.293 -3.221 -3.923 1.00 0.00 C ATOM 416 CZ3 TRP A 30 3.875 -1.353 -2.468 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.788 -1.970 -3.711 1.00 0.00 C ATOM 0 H TRP A 30 7.687 -2.552 -0.785 1.00 0.00 H new ATOM 0 HA TRP A 30 7.536 -3.318 2.064 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.759 -4.919 1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.327 -3.225 1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.372 -6.187 -1.110 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.572 -5.756 -3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.537 -1.490 -0.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.227 -3.697 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.465 -0.362 -2.339 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.310 -1.448 -4.527 1.00 0.00 H new ATOM 428 N SER A 31 8.685 -5.504 1.860 1.00 0.00 N ATOM 429 CA SER A 31 9.477 -6.724 1.776 1.00 0.00 C ATOM 430 C SER A 31 8.587 -7.902 1.401 1.00 0.00 C ATOM 431 O SER A 31 8.055 -8.594 2.265 1.00 0.00 O ATOM 432 CB SER A 31 10.182 -6.994 3.105 1.00 0.00 C ATOM 433 OG SER A 31 11.067 -5.938 3.437 1.00 0.00 O ATOM 0 H SER A 31 8.398 -5.255 2.807 1.00 0.00 H new ATOM 0 HA SER A 31 10.234 -6.596 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.441 -7.114 3.895 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.736 -7.931 3.043 1.00 0.00 H new ATOM 0 HG SER A 31 11.504 -6.134 4.292 1.00 0.00 H new ATOM 439 N ARG A 32 8.434 -8.101 0.102 1.00 0.00 N ATOM 440 CA ARG A 32 7.544 -9.119 -0.465 1.00 0.00 C ATOM 441 C ARG A 32 7.725 -10.512 0.164 1.00 0.00 C ATOM 442 O ARG A 32 8.789 -10.844 0.693 1.00 0.00 O ATOM 443 CB ARG A 32 7.767 -9.191 -1.976 1.00 0.00 C ATOM 444 CG ARG A 32 9.205 -8.941 -2.385 1.00 0.00 C ATOM 445 CD ARG A 32 9.387 -7.527 -2.912 1.00 0.00 C ATOM 446 NE ARG A 32 10.760 -7.275 -3.341 1.00 0.00 N ATOM 447 CZ ARG A 32 11.134 -7.188 -4.617 1.00 0.00 C ATOM 448 NH1 ARG A 32 10.257 -7.413 -5.589 1.00 0.00 N ATOM 449 NH2 ARG A 32 12.389 -6.899 -4.922 1.00 0.00 N ATOM 0 H ARG A 32 8.929 -7.556 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 32 6.522 -8.816 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.461 -10.174 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.125 -8.459 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.862 -9.101 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.498 -9.658 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.710 -7.363 -3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.113 -6.813 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 32 11.474 -7.159 -2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.293 -7.654 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.548 -7.345 -6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.071 -6.743 -4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.674 -6.833 -5.899 1.00 0.00 H new ATOM 463 N PRO A 33 6.671 -11.354 0.078 1.00 0.00 N ATOM 464 CA PRO A 33 6.622 -12.668 0.720 1.00 0.00 C ATOM 465 C PRO A 33 7.367 -13.736 -0.064 1.00 0.00 C ATOM 466 O PRO A 33 7.765 -13.529 -1.213 1.00 0.00 O ATOM 467 CB PRO A 33 5.122 -13.019 0.728 1.00 0.00 C ATOM 468 CG PRO A 33 4.413 -11.865 0.094 1.00 0.00 C ATOM 469 CD PRO A 33 5.443 -11.108 -0.676 1.00 0.00 C ATOM 0 HA PRO A 33 7.089 -12.634 1.704 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.936 -13.940 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.767 -13.181 1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.615 -12.213 -0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 33 3.950 -11.231 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.522 -11.466 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.207 -10.045 -0.726 1.00 0.00 H new ATOM 477 N GLN A 34 7.544 -14.883 0.575 1.00 0.00 N ATOM 478 CA GLN A 34 8.087 -16.056 -0.087 1.00 0.00 C ATOM 479 C GLN A 34 6.950 -16.825 -0.755 1.00 0.00 C ATOM 480 O GLN A 34 7.175 -17.698 -1.592 1.00 0.00 O ATOM 481 CB GLN A 34 8.824 -16.935 0.918 1.00 0.00 C ATOM 482 CG GLN A 34 9.547 -18.115 0.293 1.00 0.00 C ATOM 483 CD GLN A 34 10.257 -18.972 1.319 1.00 0.00 C ATOM 484 OE1 GLN A 34 9.818 -19.087 2.464 1.00 0.00 O ATOM 485 NE2 GLN A 34 11.364 -19.573 0.920 1.00 0.00 N ATOM 0 H GLN A 34 7.317 -15.025 1.559 1.00 0.00 H new ATOM 0 HA GLN A 34 8.803 -15.749 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.547 -16.324 1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.110 -17.307 1.652 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.830 -18.728 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.272 -17.749 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.694 -19.452 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.889 -20.158 1.570 1.00 0.00 H new ATOM 494 N ALA A 35 5.723 -16.483 -0.360 1.00 0.00 N ATOM 495 CA ALA A 35 4.525 -17.012 -0.995 1.00 0.00 C ATOM 496 C ALA A 35 4.535 -16.693 -2.478 1.00 0.00 C ATOM 497 O ALA A 35 4.870 -15.569 -2.863 1.00 0.00 O ATOM 498 CB ALA A 35 3.285 -16.398 -0.362 1.00 0.00 C ATOM 0 H ALA A 35 5.537 -15.835 0.405 1.00 0.00 H new ATOM 0 HA ALA A 35 4.509 -18.093 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.394 -16.800 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.262 -16.638 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.309 -15.316 -0.489 1.00 0.00 H new ATOM 504 N PRO A 36 4.199 -17.660 -3.339 1.00 0.00 N ATOM 505 CA PRO A 36 4.034 -17.376 -4.753 1.00 0.00 C ATOM 506 C PRO A 36 2.822 -16.482 -4.960 1.00 0.00 C ATOM 507 O PRO A 36 1.681 -16.907 -4.781 1.00 0.00 O ATOM 508 CB PRO A 36 3.804 -18.755 -5.388 1.00 0.00 C ATOM 509 CG PRO A 36 4.189 -19.748 -4.343 1.00 0.00 C ATOM 510 CD PRO A 36 3.972 -19.074 -3.020 1.00 0.00 C ATOM 0 HA PRO A 36 4.888 -16.858 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.763 -18.881 -5.684 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.408 -18.878 -6.287 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.584 -20.651 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.230 -20.051 -4.459 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.966 -19.247 -2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.667 -19.435 -2.262 1.00 0.00 H new ATOM 518 N ILE A 37 3.077 -15.262 -5.379 1.00 0.00 N ATOM 519 CA ILE A 37 2.040 -14.259 -5.514 1.00 0.00 C ATOM 520 C ILE A 37 1.946 -13.831 -6.980 1.00 0.00 C ATOM 521 O ILE A 37 2.924 -13.924 -7.714 1.00 0.00 O ATOM 522 CB ILE A 37 2.344 -13.033 -4.607 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.713 -12.457 -4.985 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.283 -13.399 -3.107 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.362 -11.635 -3.901 1.00 0.00 C ATOM 0 H ILE A 37 4.009 -14.936 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 37 1.086 -14.681 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 37 1.577 -12.276 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.379 -13.278 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.600 -11.838 -5.875 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.501 -12.515 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.286 -13.766 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.018 -14.174 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.326 -11.266 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.720 -10.791 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.510 -12.253 -3.015 1.00 0.00 H new ATOM 537 N THR A 38 0.765 -13.410 -7.408 1.00 0.00 N ATOM 538 CA THR A 38 0.540 -13.003 -8.790 1.00 0.00 C ATOM 539 C THR A 38 0.596 -11.491 -8.973 1.00 0.00 C ATOM 540 O THR A 38 0.974 -11.002 -10.040 1.00 0.00 O ATOM 541 CB THR A 38 -0.810 -13.512 -9.309 1.00 0.00 C ATOM 542 OG1 THR A 38 -1.828 -13.294 -8.327 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.733 -14.975 -9.659 1.00 0.00 C ATOM 0 H THR A 38 -0.060 -13.341 -6.813 1.00 0.00 H new ATOM 0 HA THR A 38 1.350 -13.451 -9.365 1.00 0.00 H new ATOM 0 HB THR A 38 -1.061 -12.957 -10.213 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.687 -13.621 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.703 -15.313 -10.025 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.019 -15.125 -10.433 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.460 -15.547 -8.772 1.00 0.00 H new ATOM 551 N GLY A 39 0.216 -10.746 -7.950 1.00 0.00 N ATOM 552 CA GLY A 39 0.199 -9.313 -8.067 1.00 0.00 C ATOM 553 C GLY A 39 0.147 -8.639 -6.727 1.00 0.00 C ATOM 554 O GLY A 39 0.358 -9.284 -5.707 1.00 0.00 O ATOM 0 H GLY A 39 -0.080 -11.110 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.088 -8.983 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.663 -9.008 -8.660 1.00 0.00 H new ATOM 558 N TYR A 40 -0.145 -7.350 -6.730 1.00 0.00 N ATOM 559 CA TYR A 40 -0.340 -6.589 -5.509 1.00 0.00 C ATOM 560 C TYR A 40 -1.464 -5.591 -5.670 1.00 0.00 C ATOM 561 O TYR A 40 -1.546 -4.898 -6.684 1.00 0.00 O ATOM 562 CB TYR A 40 0.920 -5.820 -5.127 1.00 0.00 C ATOM 563 CG TYR A 40 1.874 -6.589 -4.251 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.418 -7.791 -4.661 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.230 -6.104 -3.008 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.292 -8.483 -3.864 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.107 -6.790 -2.203 1.00 0.00 C ATOM 568 CZ TYR A 40 3.638 -7.976 -2.638 1.00 0.00 C ATOM 569 OH TYR A 40 4.515 -8.657 -1.842 1.00 0.00 O ATOM 0 H TYR A 40 -0.254 -6.800 -7.582 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.584 -7.308 -4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.440 -5.523 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.630 -4.904 -4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.150 -8.192 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.812 -5.170 -2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.706 -9.422 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.376 -6.397 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 40 5.109 -9.201 -2.400 1.00 0.00 H new ATOM 579 N ARG A 41 -2.333 -5.529 -4.680 1.00 0.00 N ATOM 580 CA ARG A 41 -3.296 -4.447 -4.601 1.00 0.00 C ATOM 581 C ARG A 41 -2.821 -3.462 -3.566 1.00 0.00 C ATOM 582 O ARG A 41 -2.120 -3.835 -2.645 1.00 0.00 O ATOM 583 CB ARG A 41 -4.659 -4.949 -4.201 1.00 0.00 C ATOM 584 CG ARG A 41 -4.963 -6.334 -4.732 1.00 0.00 C ATOM 585 CD ARG A 41 -5.150 -6.344 -6.240 1.00 0.00 C ATOM 586 NE ARG A 41 -6.248 -5.474 -6.662 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.983 -5.677 -7.754 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.744 -6.719 -8.539 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.953 -4.828 -8.057 1.00 0.00 N ATOM 0 H ARG A 41 -2.393 -6.210 -3.923 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.378 -3.982 -5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.730 -4.960 -3.113 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.416 -4.254 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.151 -7.010 -4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.865 -6.714 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.227 -6.022 -6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.346 -7.363 -6.574 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.464 -4.662 -6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.994 -7.370 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.310 -6.869 -9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.134 -4.024 -7.456 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.520 -4.978 -8.892 1.00 0.00 H new ATOM 603 N ILE A 42 -3.136 -2.206 -3.737 1.00 0.00 N ATOM 604 CA ILE A 42 -2.691 -1.205 -2.776 1.00 0.00 C ATOM 605 C ILE A 42 -3.760 -0.173 -2.481 1.00 0.00 C ATOM 606 O ILE A 42 -4.005 0.694 -3.300 1.00 0.00 O ATOM 607 CB ILE A 42 -1.434 -0.490 -3.303 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.416 -1.517 -3.777 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.834 0.400 -2.225 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.719 -0.934 -4.568 1.00 0.00 C ATOM 0 H ILE A 42 -3.689 -1.845 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.468 -1.732 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.715 0.142 -4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.011 -2.038 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.925 -2.263 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.054 0.897 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.566 1.149 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.559 -0.208 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.400 -1.730 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.327 -0.438 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.256 -0.210 -3.955 1.00 0.00 H new ATOM 622 N VAL A 43 -4.343 -0.216 -1.292 1.00 0.00 N ATOM 623 CA VAL A 43 -5.366 0.760 -0.931 1.00 0.00 C ATOM 624 C VAL A 43 -4.831 1.752 0.082 1.00 0.00 C ATOM 625 O VAL A 43 -4.580 1.411 1.234 1.00 0.00 O ATOM 626 CB VAL A 43 -6.649 0.113 -0.364 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.602 1.177 0.144 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.331 -0.743 -1.413 1.00 0.00 C ATOM 0 H VAL A 43 -4.131 -0.904 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.629 1.269 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.363 -0.528 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.500 0.702 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.118 1.752 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.874 1.843 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.232 -1.188 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.599 -0.124 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.653 -1.533 -1.735 1.00 0.00 H new ATOM 638 N TYR A 44 -4.661 2.976 -0.360 1.00 0.00 N ATOM 639 CA TYR A 44 -4.223 4.046 0.502 1.00 0.00 C ATOM 640 C TYR A 44 -5.311 5.078 0.633 1.00 0.00 C ATOM 641 O TYR A 44 -5.875 5.555 -0.367 1.00 0.00 O ATOM 642 CB TYR A 44 -2.909 4.665 0.007 1.00 0.00 C ATOM 643 CG TYR A 44 -2.806 4.788 -1.496 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.571 3.666 -2.278 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.933 6.015 -2.130 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.465 3.755 -3.645 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.827 6.117 -3.500 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.595 4.987 -4.254 1.00 0.00 C ATOM 649 OH TYR A 44 -2.488 5.096 -5.616 1.00 0.00 O ATOM 0 H TYR A 44 -4.823 3.257 -1.327 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.021 3.634 1.491 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.798 5.655 0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.077 4.060 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.469 2.702 -1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.117 6.902 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.282 2.870 -4.237 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.925 7.079 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.606 6.033 -5.879 1.00 0.00 H new ATOM 659 N SER A 45 -5.619 5.369 1.883 1.00 0.00 N ATOM 660 CA SER A 45 -6.711 6.259 2.228 1.00 0.00 C ATOM 661 C SER A 45 -6.362 7.148 3.424 1.00 0.00 C ATOM 662 O SER A 45 -5.772 6.692 4.403 1.00 0.00 O ATOM 663 CB SER A 45 -7.959 5.430 2.533 1.00 0.00 C ATOM 664 OG SER A 45 -7.650 4.297 3.332 1.00 0.00 O ATOM 0 H SER A 45 -5.118 4.994 2.689 1.00 0.00 H new ATOM 0 HA SER A 45 -6.899 6.916 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.692 6.051 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.417 5.104 1.599 1.00 0.00 H new ATOM 0 HG SER A 45 -8.469 3.789 3.510 1.00 0.00 H new ATOM 670 N PRO A 46 -6.722 8.438 3.342 1.00 0.00 N ATOM 671 CA PRO A 46 -6.525 9.400 4.433 1.00 0.00 C ATOM 672 C PRO A 46 -7.515 9.179 5.572 1.00 0.00 C ATOM 673 O PRO A 46 -8.705 8.959 5.346 1.00 0.00 O ATOM 674 CB PRO A 46 -6.781 10.745 3.758 1.00 0.00 C ATOM 675 CG PRO A 46 -7.693 10.441 2.627 1.00 0.00 C ATOM 676 CD PRO A 46 -7.354 9.056 2.166 1.00 0.00 C ATOM 0 HA PRO A 46 -5.538 9.316 4.888 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.234 11.454 4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.852 11.193 3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.735 10.501 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.563 11.161 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.244 8.509 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.678 9.073 1.311 1.00 0.00 H new ATOM 744 N SER A 52 -8.413 8.516 -1.920 1.00 0.00 N ATOM 745 CA SER A 52 -8.088 7.116 -1.701 1.00 0.00 C ATOM 746 C SER A 52 -7.889 6.442 -3.040 1.00 0.00 C ATOM 747 O SER A 52 -8.589 6.752 -4.008 1.00 0.00 O ATOM 748 CB SER A 52 -9.196 6.402 -0.922 1.00 0.00 C ATOM 749 OG SER A 52 -9.537 7.117 0.255 1.00 0.00 O ATOM 0 HA SER A 52 -7.174 7.059 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.078 6.295 -1.554 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.869 5.396 -0.658 1.00 0.00 H new ATOM 0 HG SER A 52 -9.452 8.079 0.089 1.00 0.00 H new ATOM 755 N THR A 53 -6.920 5.555 -3.121 1.00 0.00 N ATOM 756 CA THR A 53 -6.660 4.872 -4.377 1.00 0.00 C ATOM 757 C THR A 53 -6.150 3.451 -4.148 1.00 0.00 C ATOM 758 O THR A 53 -5.526 3.163 -3.125 1.00 0.00 O ATOM 759 CB THR A 53 -5.654 5.672 -5.235 1.00 0.00 C ATOM 760 OG1 THR A 53 -6.120 7.020 -5.399 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.464 5.040 -6.604 1.00 0.00 C ATOM 0 H THR A 53 -6.308 5.291 -2.349 1.00 0.00 H new ATOM 0 HA THR A 53 -7.605 4.805 -4.915 1.00 0.00 H new ATOM 0 HB THR A 53 -4.695 5.666 -4.717 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.479 7.524 -5.942 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.750 5.628 -7.181 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.086 4.024 -6.487 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.419 5.013 -7.128 1.00 0.00 H new ATOM 769 N GLU A 54 -6.460 2.571 -5.093 1.00 0.00 N ATOM 770 CA GLU A 54 -5.963 1.215 -5.099 1.00 0.00 C ATOM 771 C GLU A 54 -5.097 0.993 -6.336 1.00 0.00 C ATOM 772 O GLU A 54 -5.604 0.986 -7.462 1.00 0.00 O ATOM 773 CB GLU A 54 -7.125 0.219 -5.098 1.00 0.00 C ATOM 774 CG GLU A 54 -6.683 -1.228 -4.967 1.00 0.00 C ATOM 775 CD GLU A 54 -7.796 -2.205 -5.271 1.00 0.00 C ATOM 776 OE1 GLU A 54 -8.647 -2.445 -4.390 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.820 -2.745 -6.398 1.00 0.00 O ATOM 0 H GLU A 54 -7.070 2.788 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.366 1.056 -4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.799 0.460 -4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.693 0.335 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.848 -1.412 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.318 -1.402 -3.955 1.00 0.00 H new ATOM 784 N LEU A 55 -3.800 0.809 -6.137 1.00 0.00 N ATOM 785 CA LEU A 55 -2.905 0.542 -7.256 1.00 0.00 C ATOM 786 C LEU A 55 -2.690 -0.949 -7.405 1.00 0.00 C ATOM 787 O LEU A 55 -2.950 -1.718 -6.481 1.00 0.00 O ATOM 788 CB LEU A 55 -1.559 1.293 -7.130 1.00 0.00 C ATOM 789 CG LEU A 55 -1.682 2.808 -7.266 1.00 0.00 C ATOM 790 CD1 LEU A 55 -0.321 3.463 -7.406 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.576 3.183 -8.441 1.00 0.00 C ATOM 0 H LEU A 55 -3.347 0.839 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.384 0.922 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.113 1.060 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.875 0.924 -7.894 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.144 3.180 -6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.444 4.542 -7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.281 3.243 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.180 3.076 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.645 4.268 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.152 2.784 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.571 2.765 -8.289 1.00 0.00 H new ATOM 803 N ASN A 56 -2.275 -1.355 -8.589 1.00 0.00 N ATOM 804 CA ASN A 56 -2.041 -2.756 -8.875 1.00 0.00 C ATOM 805 C ASN A 56 -0.631 -2.928 -9.392 1.00 0.00 C ATOM 806 O ASN A 56 -0.290 -2.430 -10.464 1.00 0.00 O ATOM 807 CB ASN A 56 -3.047 -3.275 -9.907 1.00 0.00 C ATOM 808 CG ASN A 56 -2.926 -4.769 -10.137 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.166 -5.223 -10.994 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.685 -5.544 -9.380 1.00 0.00 N ATOM 0 H ASN A 56 -2.092 -0.729 -9.373 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.169 -3.332 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.058 -3.043 -9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.896 -2.752 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.654 -6.557 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.301 -5.129 -8.681 1.00 0.00 H new ATOM 817 N LEU A 57 0.186 -3.629 -8.634 1.00 0.00 N ATOM 818 CA LEU A 57 1.575 -3.795 -8.985 1.00 0.00 C ATOM 819 C LEU A 57 1.811 -5.244 -9.345 1.00 0.00 C ATOM 820 O LEU A 57 1.019 -6.111 -8.983 1.00 0.00 O ATOM 821 CB LEU A 57 2.501 -3.356 -7.832 1.00 0.00 C ATOM 822 CG LEU A 57 2.552 -1.859 -7.540 1.00 0.00 C ATOM 823 CD1 LEU A 57 3.896 -1.495 -6.954 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.281 -1.034 -8.779 1.00 0.00 C ATOM 0 H LEU A 57 -0.092 -4.093 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 57 1.810 -3.160 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.186 -3.871 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.512 -3.696 -8.057 1.00 0.00 H new ATOM 0 HG LEU A 57 1.767 -1.633 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.925 -0.425 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.050 -2.047 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.683 -1.750 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.327 0.026 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.031 -1.260 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.290 -1.273 -9.166 1.00 0.00 H new ATOM 836 N PRO A 58 2.859 -5.527 -10.111 1.00 0.00 N ATOM 837 CA PRO A 58 3.224 -6.895 -10.431 1.00 0.00 C ATOM 838 C PRO A 58 3.727 -7.631 -9.195 1.00 0.00 C ATOM 839 O PRO A 58 4.227 -7.024 -8.250 1.00 0.00 O ATOM 840 CB PRO A 58 4.334 -6.747 -11.475 1.00 0.00 C ATOM 841 CG PRO A 58 4.875 -5.372 -11.289 1.00 0.00 C ATOM 842 CD PRO A 58 3.750 -4.539 -10.739 1.00 0.00 C ATOM 0 HA PRO A 58 2.380 -7.479 -10.798 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.111 -7.497 -11.330 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.944 -6.882 -12.484 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.723 -5.379 -10.604 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.232 -4.965 -12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.110 -3.808 -10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.241 -3.984 -11.527 1.00 0.00 H new ATOM 850 N GLU A 59 3.545 -8.941 -9.217 1.00 0.00 N ATOM 851 CA GLU A 59 4.027 -9.855 -8.172 1.00 0.00 C ATOM 852 C GLU A 59 5.470 -9.571 -7.758 1.00 0.00 C ATOM 853 O GLU A 59 5.869 -9.854 -6.632 1.00 0.00 O ATOM 854 CB GLU A 59 3.937 -11.289 -8.685 1.00 0.00 C ATOM 855 CG GLU A 59 4.717 -11.522 -9.972 1.00 0.00 C ATOM 856 CD GLU A 59 4.567 -12.927 -10.512 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.331 -13.818 -10.087 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.691 -13.146 -11.375 1.00 0.00 O ATOM 0 H GLU A 59 3.050 -9.416 -9.972 1.00 0.00 H new ATOM 0 HA GLU A 59 3.397 -9.706 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.309 -11.966 -7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.890 -11.542 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.381 -10.811 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.773 -11.320 -9.791 1.00 0.00 H new ATOM 865 N THR A 60 6.235 -9.010 -8.675 1.00 0.00 N ATOM 866 CA THR A 60 7.656 -8.781 -8.468 1.00 0.00 C ATOM 867 C THR A 60 7.933 -7.314 -8.110 1.00 0.00 C ATOM 868 O THR A 60 9.062 -6.834 -8.210 1.00 0.00 O ATOM 869 CB THR A 60 8.454 -9.202 -9.726 1.00 0.00 C ATOM 870 OG1 THR A 60 9.866 -9.085 -9.505 1.00 0.00 O ATOM 871 CG2 THR A 60 8.048 -8.366 -10.929 1.00 0.00 C ATOM 0 H THR A 60 5.891 -8.700 -9.584 1.00 0.00 H new ATOM 0 HA THR A 60 7.983 -9.393 -7.628 1.00 0.00 H new ATOM 0 HB THR A 60 8.220 -10.247 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.052 -8.264 -9.003 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.622 -8.680 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.985 -8.504 -11.126 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.246 -7.314 -10.724 1.00 0.00 H new ATOM 879 N ALA A 61 6.899 -6.606 -7.672 1.00 0.00 N ATOM 880 CA ALA A 61 7.046 -5.206 -7.294 1.00 0.00 C ATOM 881 C ALA A 61 7.323 -5.086 -5.806 1.00 0.00 C ATOM 882 O ALA A 61 7.008 -5.996 -5.036 1.00 0.00 O ATOM 883 CB ALA A 61 5.798 -4.422 -7.660 1.00 0.00 C ATOM 0 H ALA A 61 5.954 -6.976 -7.570 1.00 0.00 H new ATOM 0 HA ALA A 61 7.891 -4.789 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.926 -3.379 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.633 -4.482 -8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.939 -4.841 -7.137 1.00 0.00 H new ATOM 889 N ASN A 62 7.912 -3.972 -5.399 1.00 0.00 N ATOM 890 CA ASN A 62 8.251 -3.772 -3.999 1.00 0.00 C ATOM 891 C ASN A 62 8.052 -2.329 -3.564 1.00 0.00 C ATOM 892 O ASN A 62 8.521 -1.943 -2.502 1.00 0.00 O ATOM 893 CB ASN A 62 9.705 -4.170 -3.729 1.00 0.00 C ATOM 894 CG ASN A 62 10.713 -3.224 -4.361 1.00 0.00 C ATOM 895 OD1 ASN A 62 10.484 -2.667 -5.437 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.833 -3.026 -3.689 1.00 0.00 N ATOM 0 H ASN A 62 8.164 -3.198 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 62 7.577 -4.407 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.872 -4.202 -2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.875 -5.178 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.544 -2.394 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.987 -3.505 -2.802 1.00 0.00 H new ATOM 903 N SER A 63 7.363 -1.527 -4.361 1.00 0.00 N ATOM 904 CA SER A 63 7.204 -0.125 -4.015 1.00 0.00 C ATOM 905 C SER A 63 6.106 0.543 -4.835 1.00 0.00 C ATOM 906 O SER A 63 6.049 0.385 -6.052 1.00 0.00 O ATOM 907 CB SER A 63 8.529 0.611 -4.237 1.00 0.00 C ATOM 908 OG SER A 63 8.940 0.527 -5.590 1.00 0.00 O ATOM 0 H SER A 63 6.915 -1.814 -5.231 1.00 0.00 H new ATOM 0 HA SER A 63 6.914 -0.072 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.419 1.657 -3.952 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.298 0.184 -3.593 1.00 0.00 H new ATOM 0 HG SER A 63 8.155 0.405 -6.163 1.00 0.00 H new ATOM 914 N VAL A 64 5.253 1.306 -4.170 1.00 0.00 N ATOM 915 CA VAL A 64 4.231 2.075 -4.870 1.00 0.00 C ATOM 916 C VAL A 64 4.443 3.567 -4.644 1.00 0.00 C ATOM 917 O VAL A 64 4.725 4.000 -3.518 1.00 0.00 O ATOM 918 CB VAL A 64 2.784 1.710 -4.448 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.604 1.780 -2.956 1.00 0.00 C ATOM 920 CG2 VAL A 64 1.797 2.608 -5.134 1.00 0.00 C ATOM 0 H VAL A 64 5.246 1.411 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 64 4.340 1.822 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 64 2.602 0.680 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.577 1.518 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.288 1.081 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.816 2.792 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.786 2.339 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.996 3.644 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.891 2.494 -6.214 1.00 0.00 H new ATOM 930 N THR A 65 4.347 4.336 -5.719 1.00 0.00 N ATOM 931 CA THR A 65 4.312 5.767 -5.635 1.00 0.00 C ATOM 932 C THR A 65 2.860 6.245 -5.671 1.00 0.00 C ATOM 933 O THR A 65 2.222 6.275 -6.726 1.00 0.00 O ATOM 934 CB THR A 65 5.102 6.364 -6.803 1.00 0.00 C ATOM 935 OG1 THR A 65 6.495 6.056 -6.649 1.00 0.00 O ATOM 936 CG2 THR A 65 4.912 7.874 -6.911 1.00 0.00 C ATOM 0 H THR A 65 4.292 3.973 -6.671 1.00 0.00 H new ATOM 0 HA THR A 65 4.765 6.094 -4.699 1.00 0.00 H new ATOM 0 HB THR A 65 4.722 5.921 -7.723 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.999 6.437 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.491 8.254 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.856 8.098 -7.065 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.253 8.350 -5.992 1.00 0.00 H new ATOM 944 N LEU A 66 2.342 6.572 -4.504 1.00 0.00 N ATOM 945 CA LEU A 66 0.988 7.079 -4.361 1.00 0.00 C ATOM 946 C LEU A 66 0.962 8.538 -4.755 1.00 0.00 C ATOM 947 O LEU A 66 1.912 9.272 -4.466 1.00 0.00 O ATOM 948 CB LEU A 66 0.517 6.953 -2.919 1.00 0.00 C ATOM 949 CG LEU A 66 1.235 5.908 -2.083 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.024 6.185 -0.623 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.742 4.522 -2.439 1.00 0.00 C ATOM 0 H LEU A 66 2.849 6.494 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 66 0.327 6.497 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.630 7.922 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.548 6.721 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 66 2.303 5.957 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.542 5.431 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.418 7.172 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.042 6.154 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.265 3.783 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.329 4.456 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.934 4.327 -3.494 1.00 0.00 H new ATOM 963 N SER A 67 -0.125 8.962 -5.368 1.00 0.00 N ATOM 964 CA SER A 67 -0.211 10.298 -5.922 1.00 0.00 C ATOM 965 C SER A 67 -1.575 10.915 -5.639 1.00 0.00 C ATOM 966 O SER A 67 -2.501 10.216 -5.218 1.00 0.00 O ATOM 967 CB SER A 67 0.065 10.242 -7.425 1.00 0.00 C ATOM 968 OG SER A 67 -0.694 9.214 -8.043 1.00 0.00 O ATOM 0 H SER A 67 -0.965 8.397 -5.495 1.00 0.00 H new ATOM 0 HA SER A 67 0.539 10.931 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.179 11.202 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.127 10.068 -7.597 1.00 0.00 H new ATOM 0 HG SER A 67 -0.502 9.198 -9.004 1.00 0.00 H new ATOM 974 N ASP A 68 -1.675 12.227 -5.852 1.00 0.00 N ATOM 975 CA ASP A 68 -2.916 12.975 -5.650 1.00 0.00 C ATOM 976 C ASP A 68 -3.347 12.966 -4.189 1.00 0.00 C ATOM 977 O ASP A 68 -4.532 13.087 -3.884 1.00 0.00 O ATOM 978 CB ASP A 68 -4.049 12.438 -6.534 1.00 0.00 C ATOM 979 CG ASP A 68 -3.814 12.689 -8.009 1.00 0.00 C ATOM 980 OD1 ASP A 68 -3.891 13.860 -8.437 1.00 0.00 O ATOM 981 OD2 ASP A 68 -3.557 11.718 -8.751 1.00 0.00 O ATOM 0 H ASP A 68 -0.896 12.803 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.710 14.005 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.158 11.367 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.988 12.905 -6.236 1.00 0.00 H new ATOM 986 N LEU A 69 -2.380 12.829 -3.287 1.00 0.00 N ATOM 987 CA LEU A 69 -2.658 12.893 -1.854 1.00 0.00 C ATOM 988 C LEU A 69 -3.018 14.323 -1.462 1.00 0.00 C ATOM 989 O LEU A 69 -3.121 15.202 -2.312 1.00 0.00 O ATOM 990 CB LEU A 69 -1.456 12.440 -1.016 1.00 0.00 C ATOM 991 CG LEU A 69 -0.669 11.243 -1.527 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.539 11.021 -0.648 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.552 10.013 -1.520 1.00 0.00 C ATOM 0 H LEU A 69 -1.399 12.673 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.490 12.218 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.770 13.282 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.811 12.208 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.336 11.434 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.103 10.163 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.173 11.908 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.215 10.832 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.986 9.157 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.892 9.815 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.415 10.181 -2.165 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.220 14.553 -0.178 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.517 15.887 0.309 1.00 0.00 C ATOM 1007 C GLN A 70 -2.552 16.235 1.433 1.00 0.00 C ATOM 1008 O GLN A 70 -2.438 15.487 2.400 1.00 0.00 O ATOM 1009 CB GLN A 70 -4.970 15.964 0.788 1.00 0.00 C ATOM 1010 CG GLN A 70 -5.392 17.342 1.277 1.00 0.00 C ATOM 1011 CD GLN A 70 -5.348 18.395 0.185 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.545 18.098 -0.992 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -5.083 19.632 0.568 1.00 0.00 N ATOM 0 H GLN A 70 -3.184 13.835 0.545 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.393 16.609 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.627 15.663 -0.028 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.114 15.245 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.403 17.285 1.679 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.740 17.647 2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.926 19.838 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.036 20.381 -0.123 1.00 0.00 H new ATOM 1022 N PRO A 71 -1.819 17.354 1.301 1.00 0.00 N ATOM 1023 CA PRO A 71 -0.814 17.775 2.286 1.00 0.00 C ATOM 1024 C PRO A 71 -1.404 18.071 3.662 1.00 0.00 C ATOM 1025 O PRO A 71 -2.438 18.732 3.778 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.220 19.044 1.683 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.229 19.523 0.698 1.00 0.00 C ATOM 1028 CD PRO A 71 -1.904 18.294 0.170 1.00 0.00 C ATOM 0 HA PRO A 71 -0.085 16.984 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.034 19.794 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.735 18.839 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.949 20.192 1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.754 20.084 -0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.938 18.492 -0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.400 17.906 -0.715 1.00 0.00 H new ATOM 1036 N GLY A 72 -0.732 17.579 4.698 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.185 17.797 6.058 1.00 0.00 C ATOM 1038 C GLY A 72 -2.203 16.764 6.486 1.00 0.00 C ATOM 1039 O GLY A 72 -3.018 17.012 7.375 1.00 0.00 O ATOM 0 H GLY A 72 0.124 17.030 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.331 17.767 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.621 18.792 6.140 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.152 15.599 5.858 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.149 14.564 6.085 1.00 0.00 C ATOM 1045 C VAL A 73 -2.493 13.218 6.381 1.00 0.00 C ATOM 1046 O VAL A 73 -1.402 12.918 5.895 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.087 14.429 4.865 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.093 13.329 5.050 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -4.840 15.706 4.589 1.00 0.00 C ATOM 0 H VAL A 73 -1.428 15.346 5.185 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.736 14.862 6.954 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.437 14.196 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.732 13.269 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.574 12.380 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.704 13.539 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.488 15.567 3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.446 15.966 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.132 16.510 4.387 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.175 12.421 7.192 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.703 11.113 7.589 1.00 0.00 C ATOM 1061 C GLN A 74 -3.143 10.078 6.565 1.00 0.00 C ATOM 1062 O GLN A 74 -4.337 9.918 6.317 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.286 10.784 8.956 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.295 10.143 9.913 1.00 0.00 C ATOM 1065 CD GLN A 74 -1.868 8.762 9.479 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -2.496 7.769 9.832 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -0.791 8.690 8.717 1.00 0.00 N ATOM 0 H GLN A 74 -4.079 12.672 7.593 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.614 11.104 7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.669 11.700 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.135 10.113 8.825 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.415 10.780 9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.742 10.084 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.299 9.542 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.451 7.782 8.399 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.186 9.383 5.978 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.476 8.450 4.897 1.00 0.00 C ATOM 1078 C TYR A 75 -2.102 7.020 5.255 1.00 0.00 C ATOM 1079 O TYR A 75 -0.939 6.707 5.484 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.757 8.879 3.617 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.622 9.741 2.725 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.723 11.113 2.918 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.359 9.169 1.696 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.534 11.888 2.109 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -4.174 9.936 0.889 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.257 11.296 1.096 1.00 0.00 C ATOM 1087 OH TYR A 75 -5.081 12.061 0.300 1.00 0.00 O ATOM 0 H TYR A 75 -1.199 9.445 6.230 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.553 8.473 4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.852 9.427 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.444 7.992 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.160 11.581 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.293 8.105 1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.601 12.954 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.745 9.472 0.098 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.516 11.488 -0.366 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.105 6.158 5.304 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.894 4.740 5.559 1.00 0.00 C ATOM 1099 C ASN A 76 -2.685 3.992 4.251 1.00 0.00 C ATOM 1100 O ASN A 76 -3.599 3.905 3.428 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.092 4.131 6.299 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.253 4.644 7.718 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -3.885 5.774 8.037 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -4.810 3.810 8.582 1.00 0.00 N ATOM 0 H ASN A 76 -4.082 6.418 5.169 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.005 4.644 6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -5.002 4.345 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.981 3.047 6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.947 4.096 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.102 2.881 8.278 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.480 3.476 4.053 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.183 2.646 2.895 1.00 0.00 C ATOM 1113 C ILE A 77 -1.329 1.187 3.259 1.00 0.00 C ATOM 1114 O ILE A 77 -0.636 0.680 4.142 1.00 0.00 O ATOM 1115 CB ILE A 77 0.241 2.872 2.338 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.462 4.311 1.901 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.529 1.959 1.158 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.902 5.247 3.006 1.00 0.00 C ATOM 0 H ILE A 77 -0.690 3.619 4.682 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.894 2.932 2.120 1.00 0.00 H new ATOM 0 HB ILE A 77 0.923 2.640 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.213 4.325 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.463 4.691 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.539 2.145 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.443 0.919 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.188 2.157 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.035 6.250 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.143 5.269 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.845 4.897 3.425 1.00 0.00 H new ATOM 1130 N THR A 78 -2.237 0.526 2.589 1.00 0.00 N ATOM 1131 CA THR A 78 -2.492 -0.862 2.824 1.00 0.00 C ATOM 1132 C THR A 78 -2.030 -1.696 1.626 1.00 0.00 C ATOM 1133 O THR A 78 -2.567 -1.552 0.523 1.00 0.00 O ATOM 1134 CB THR A 78 -3.989 -1.072 3.065 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.441 -0.205 4.117 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.289 -2.516 3.430 1.00 0.00 C ATOM 0 H THR A 78 -2.820 0.942 1.863 1.00 0.00 H new ATOM 0 HA THR A 78 -1.936 -1.184 3.705 1.00 0.00 H new ATOM 0 HB THR A 78 -4.517 -0.835 2.141 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.400 -0.343 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.360 -2.635 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.973 -3.170 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.750 -2.781 4.340 1.00 0.00 H new ATOM 1144 N ILE A 79 -1.032 -2.555 1.835 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.519 -3.389 0.737 1.00 0.00 C ATOM 1146 C ILE A 79 -1.188 -4.763 0.775 1.00 0.00 C ATOM 1147 O ILE A 79 -1.494 -5.284 1.839 1.00 0.00 O ATOM 1148 CB ILE A 79 1.026 -3.618 0.751 1.00 0.00 C ATOM 1149 CG1 ILE A 79 1.857 -2.361 0.972 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.479 -4.209 -0.554 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.481 -1.191 0.104 1.00 0.00 C ATOM 0 H ILE A 79 -0.568 -2.694 2.733 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.755 -2.833 -0.170 1.00 0.00 H new ATOM 0 HB ILE A 79 1.190 -4.286 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.767 -2.063 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.906 -2.601 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.558 -4.363 -0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.980 -5.165 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.228 -3.529 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.128 -0.344 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.599 -1.463 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.443 -0.917 0.293 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.422 -5.334 -0.389 1.00 0.00 N ATOM 1164 CA TYR A 80 -2.012 -6.655 -0.498 1.00 0.00 C ATOM 1165 C TYR A 80 -1.194 -7.517 -1.461 1.00 0.00 C ATOM 1166 O TYR A 80 -1.196 -7.261 -2.671 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.443 -6.556 -1.045 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.365 -5.606 -0.305 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.480 -4.263 -0.677 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.150 -6.060 0.746 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.344 -3.415 -0.015 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.020 -5.215 1.405 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.113 -3.896 1.021 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.986 -3.054 1.673 1.00 0.00 O ATOM 0 H TYR A 80 -1.209 -4.897 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.022 -7.104 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.393 -6.245 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.888 -7.551 -1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.884 -3.884 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.079 -7.093 1.054 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.417 -2.378 -0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.625 -5.587 2.218 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.453 -3.549 2.378 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.515 -8.538 -0.936 1.00 0.00 N ATOM 1185 CA ALA A 81 0.174 -9.515 -1.782 1.00 0.00 C ATOM 1186 C ALA A 81 -0.846 -10.523 -2.285 1.00 0.00 C ATOM 1187 O ALA A 81 -1.399 -11.296 -1.502 1.00 0.00 O ATOM 1188 CB ALA A 81 1.296 -10.228 -1.019 1.00 0.00 C ATOM 0 H ALA A 81 -0.427 -8.710 0.066 1.00 0.00 H new ATOM 0 HA ALA A 81 0.636 -8.995 -2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.785 -10.946 -1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.026 -9.495 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.876 -10.752 -0.160 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.118 -10.511 -3.576 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.174 -11.379 -4.104 1.00 0.00 C ATOM 1196 C VAL A 82 -1.586 -12.543 -4.874 1.00 0.00 C ATOM 1197 O VAL A 82 -0.663 -12.358 -5.650 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.199 -10.623 -4.996 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.550 -9.957 -6.181 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.284 -11.563 -5.481 1.00 0.00 C ATOM 0 H VAL A 82 -0.643 -9.931 -4.268 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.716 -11.752 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.637 -9.845 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.309 -9.443 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.811 -9.235 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.059 -10.710 -6.798 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.990 -11.013 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.835 -12.367 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.808 -11.986 -4.624 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.118 -13.738 -4.636 1.00 0.00 N ATOM 1211 CA GLU A 83 -1.694 -14.935 -5.339 1.00 0.00 C ATOM 1212 C GLU A 83 -2.793 -15.379 -6.294 1.00 0.00 C ATOM 1213 O GLU A 83 -3.891 -14.817 -6.286 1.00 0.00 O ATOM 1214 CB GLU A 83 -1.397 -16.097 -4.401 1.00 0.00 C ATOM 1215 CG GLU A 83 -0.887 -15.729 -3.032 1.00 0.00 C ATOM 1216 CD GLU A 83 -0.718 -16.963 -2.167 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -1.741 -17.588 -1.813 1.00 0.00 O ATOM 1218 OE2 GLU A 83 0.433 -17.344 -1.870 1.00 0.00 O ATOM 0 H GLU A 83 -2.855 -13.899 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.777 -14.677 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.308 -16.683 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.662 -16.744 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.067 -15.210 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.582 -15.038 -2.555 1.00 0.00 H new ATOM 1225 N GLU A 84 -2.480 -16.367 -7.123 1.00 0.00 N ATOM 1226 CA GLU A 84 -3.433 -16.926 -8.081 1.00 0.00 C ATOM 1227 C GLU A 84 -4.808 -17.167 -7.453 1.00 0.00 C ATOM 1228 O GLU A 84 -5.825 -16.717 -7.980 1.00 0.00 O ATOM 1229 CB GLU A 84 -2.906 -18.252 -8.633 1.00 0.00 C ATOM 1230 CG GLU A 84 -1.501 -18.169 -9.201 1.00 0.00 C ATOM 1231 CD GLU A 84 -1.004 -19.496 -9.726 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -0.574 -20.334 -8.909 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -1.033 -19.706 -10.959 1.00 0.00 O ATOM 0 H GLU A 84 -1.559 -16.805 -7.152 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.544 -16.196 -8.883 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.922 -18.997 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.582 -18.604 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.482 -17.434 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.821 -17.812 -8.427 1.00 0.00 H new ATOM 1240 N ASN A 85 -4.834 -17.862 -6.317 1.00 0.00 N ATOM 1241 CA ASN A 85 -6.097 -18.299 -5.729 1.00 0.00 C ATOM 1242 C ASN A 85 -6.424 -17.582 -4.424 1.00 0.00 C ATOM 1243 O ASN A 85 -7.561 -17.639 -3.958 1.00 0.00 O ATOM 1244 CB ASN A 85 -6.074 -19.810 -5.469 1.00 0.00 C ATOM 1245 CG ASN A 85 -6.003 -20.633 -6.740 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -7.029 -20.976 -7.328 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -4.795 -20.976 -7.163 1.00 0.00 N ATOM 0 H ASN A 85 -4.003 -18.132 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.871 -18.048 -6.454 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.217 -20.051 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.968 -20.090 -4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.691 -21.544 -8.004 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.969 -20.672 -6.648 1.00 0.00 H new ATOM 1254 N GLN A 86 -5.455 -16.899 -3.831 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.649 -16.359 -2.491 1.00 0.00 C ATOM 1256 C GLN A 86 -5.149 -14.930 -2.379 1.00 0.00 C ATOM 1257 O GLN A 86 -4.547 -14.395 -3.303 1.00 0.00 O ATOM 1258 CB GLN A 86 -4.936 -17.237 -1.461 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.621 -18.571 -1.213 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.799 -19.499 -0.343 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -4.039 -20.330 -0.841 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -4.932 -19.354 0.963 1.00 0.00 N ATOM 0 H GLN A 86 -4.543 -16.708 -4.246 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.721 -16.355 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.916 -17.420 -1.798 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -4.868 -16.693 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.587 -18.396 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.819 -19.056 -2.169 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.573 -18.653 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.394 -19.943 1.599 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.424 -14.321 -1.238 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.945 -12.985 -0.929 1.00 0.00 C ATOM 1273 C GLU A 87 -4.272 -13.011 0.434 1.00 0.00 C ATOM 1274 O GLU A 87 -4.808 -13.590 1.381 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.102 -11.983 -0.918 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.840 -11.878 -2.243 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.052 -10.978 -2.162 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.144 -11.476 -1.807 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.928 -9.769 -2.449 1.00 0.00 O ATOM 0 H GLU A 87 -5.987 -14.740 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.234 -12.673 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.810 -12.270 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.715 -11.000 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.160 -11.498 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.151 -12.873 -2.562 1.00 0.00 H new ATOM 1286 N SER A 88 -3.099 -12.407 0.530 1.00 0.00 N ATOM 1287 CA SER A 88 -2.349 -12.405 1.774 1.00 0.00 C ATOM 1288 C SER A 88 -2.912 -11.376 2.747 1.00 0.00 C ATOM 1289 O SER A 88 -3.774 -10.567 2.382 1.00 0.00 O ATOM 1290 CB SER A 88 -0.873 -12.106 1.506 1.00 0.00 C ATOM 1291 OG SER A 88 -0.362 -12.935 0.474 1.00 0.00 O ATOM 0 H SER A 88 -2.646 -11.912 -0.238 1.00 0.00 H new ATOM 0 HA SER A 88 -2.439 -13.395 2.222 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.756 -11.059 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.296 -12.259 2.418 1.00 0.00 H new ATOM 0 HG SER A 88 -0.605 -12.559 -0.398 1.00 0.00 H new ATOM 1297 N THR A 89 -2.426 -11.419 3.979 1.00 0.00 N ATOM 1298 CA THR A 89 -2.779 -10.438 4.985 1.00 0.00 C ATOM 1299 C THR A 89 -2.423 -9.025 4.514 1.00 0.00 C ATOM 1300 O THR A 89 -1.609 -8.847 3.606 1.00 0.00 O ATOM 1301 CB THR A 89 -2.059 -10.755 6.309 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.842 -11.469 6.046 1.00 0.00 O ATOM 1303 CG2 THR A 89 -2.949 -11.580 7.226 1.00 0.00 C ATOM 0 H THR A 89 -1.777 -12.135 4.305 1.00 0.00 H new ATOM 0 HA THR A 89 -3.856 -10.483 5.147 1.00 0.00 H new ATOM 0 HB THR A 89 -1.828 -9.813 6.806 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.389 -11.666 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.418 -11.791 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.860 -11.023 7.447 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.208 -12.518 6.735 1.00 0.00 H new ATOM 1311 N PRO A 90 -3.060 -8.001 5.088 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.832 -6.627 4.682 1.00 0.00 C ATOM 1313 C PRO A 90 -1.662 -5.957 5.405 1.00 0.00 C ATOM 1314 O PRO A 90 -1.463 -6.123 6.610 1.00 0.00 O ATOM 1315 CB PRO A 90 -4.149 -5.951 5.053 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.653 -6.710 6.236 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.073 -8.097 6.154 1.00 0.00 C ATOM 0 HA PRO A 90 -2.562 -6.557 3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.998 -4.899 5.294 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.859 -5.990 4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.353 -6.222 7.163 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.742 -6.748 6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.627 -8.399 7.102 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.838 -8.835 5.912 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.896 -5.204 4.636 1.00 0.00 N ATOM 1326 CA VAL A 91 0.091 -4.280 5.159 1.00 0.00 C ATOM 1327 C VAL A 91 -0.608 -3.003 5.538 1.00 0.00 C ATOM 1328 O VAL A 91 -1.266 -2.414 4.691 1.00 0.00 O ATOM 1329 CB VAL A 91 1.109 -3.884 4.086 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.767 -2.571 4.468 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.151 -4.959 3.867 1.00 0.00 C ATOM 0 H VAL A 91 -0.944 -5.218 3.617 1.00 0.00 H new ATOM 0 HA VAL A 91 0.589 -4.767 5.998 1.00 0.00 H new ATOM 0 HB VAL A 91 0.575 -3.763 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.491 -2.291 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.007 -1.794 4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.276 -2.684 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.852 -4.635 3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.690 -5.138 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.662 -5.880 3.548 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.472 -2.568 6.771 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.977 -1.263 7.129 1.00 0.00 C ATOM 1343 C VAL A 92 0.160 -0.383 7.621 1.00 0.00 C ATOM 1344 O VAL A 92 0.689 -0.578 8.716 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.079 -1.329 8.201 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.808 0.000 8.265 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.053 -2.466 7.921 1.00 0.00 C ATOM 0 H VAL A 92 -0.026 -3.086 7.528 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.421 -0.836 6.230 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.614 -1.528 9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.588 -0.049 9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.102 0.790 8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.258 0.215 7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.820 -2.487 8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.522 -2.312 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.515 -3.414 7.918 1.00 0.00 H new ATOM 1357 N ILE A 93 0.547 0.568 6.789 1.00 0.00 N ATOM 1358 CA ILE A 93 1.570 1.536 7.142 1.00 0.00 C ATOM 1359 C ILE A 93 1.038 2.943 6.939 1.00 0.00 C ATOM 1360 O ILE A 93 0.775 3.367 5.816 1.00 0.00 O ATOM 1361 CB ILE A 93 2.866 1.356 6.318 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.555 1.191 4.835 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.658 0.167 6.834 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.714 1.571 3.953 1.00 0.00 C ATOM 0 H ILE A 93 0.162 0.691 5.852 1.00 0.00 H new ATOM 0 HA ILE A 93 1.820 1.370 8.190 1.00 0.00 H new ATOM 0 HB ILE A 93 3.471 2.255 6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.279 0.155 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.692 1.805 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.568 0.052 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.921 0.331 7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.054 -0.737 6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.436 1.434 2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.975 2.615 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.571 0.939 4.186 1.00 0.00 H new ATOM 1376 N GLN A 94 0.849 3.657 8.026 1.00 0.00 N ATOM 1377 CA GLN A 94 0.315 4.998 7.944 1.00 0.00 C ATOM 1378 C GLN A 94 1.438 6.026 8.028 1.00 0.00 C ATOM 1379 O GLN A 94 2.342 5.915 8.855 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.746 5.245 9.030 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.214 5.217 10.460 1.00 0.00 C ATOM 1382 CD GLN A 94 0.174 3.830 10.946 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -0.578 2.811 10.551 1.00 0.00 O flip ATOM 1384 NE2 GLN A 94 1.128 3.680 11.707 1.00 0.00 N flip ATOM 0 H GLN A 94 1.055 3.334 8.971 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.177 5.108 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.212 6.213 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.528 4.492 8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.655 5.871 10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.972 5.626 11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.686 4.486 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.362 2.750 12.054 1.00 0.00 H new ATOM 1393 N GLN A 95 1.387 6.992 7.131 1.00 0.00 N ATOM 1394 CA GLN A 95 2.347 8.078 7.088 1.00 0.00 C ATOM 1395 C GLN A 95 1.615 9.378 6.786 1.00 0.00 C ATOM 1396 O GLN A 95 0.679 9.394 5.990 1.00 0.00 O ATOM 1397 CB GLN A 95 3.392 7.799 6.002 1.00 0.00 C ATOM 1398 CG GLN A 95 4.823 7.722 6.518 1.00 0.00 C ATOM 1399 CD GLN A 95 5.296 8.994 7.206 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.769 10.138 6.796 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 6.136 8.947 8.099 1.00 0.00 N flip ATOM 0 H GLN A 95 0.672 7.045 6.406 1.00 0.00 H new ATOM 0 HA GLN A 95 2.853 8.162 8.050 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.145 6.859 5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.332 8.582 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.903 6.890 7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.489 7.502 5.684 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.521 8.048 8.390 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.449 9.806 8.550 1.00 0.00 H new ATOM 1410 N GLU A 96 2.015 10.458 7.435 1.00 0.00 N ATOM 1411 CA GLU A 96 1.410 11.758 7.182 1.00 0.00 C ATOM 1412 C GLU A 96 2.097 12.444 6.015 1.00 0.00 C ATOM 1413 O GLU A 96 3.295 12.269 5.794 1.00 0.00 O ATOM 1414 CB GLU A 96 1.498 12.658 8.411 1.00 0.00 C ATOM 1415 CG GLU A 96 0.724 12.148 9.608 1.00 0.00 C ATOM 1416 CD GLU A 96 0.986 12.969 10.850 1.00 0.00 C ATOM 1417 OE1 GLU A 96 0.364 14.041 11.006 1.00 0.00 O ATOM 1418 OE2 GLU A 96 1.826 12.553 11.673 1.00 0.00 O ATOM 0 H GLU A 96 2.753 10.463 8.139 1.00 0.00 H new ATOM 0 HA GLU A 96 0.360 11.589 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.545 12.771 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.129 13.650 8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.342 12.164 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.994 11.109 9.798 1.00 0.00 H new ATOM 1425 N THR A 97 1.334 13.206 5.264 1.00 0.00 N ATOM 1426 CA THR A 97 1.874 13.949 4.148 1.00 0.00 C ATOM 1427 C THR A 97 2.491 15.257 4.631 1.00 0.00 C ATOM 1428 O THR A 97 1.797 16.135 5.149 1.00 0.00 O ATOM 1429 CB THR A 97 0.783 14.234 3.109 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.330 14.870 3.747 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.324 12.942 2.453 1.00 0.00 C ATOM 0 H THR A 97 0.331 13.328 5.407 1.00 0.00 H new ATOM 0 HA THR A 97 2.650 13.345 3.679 1.00 0.00 H new ATOM 0 HB THR A 97 1.191 14.891 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.146 14.693 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.450 13.162 1.718 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.170 12.465 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.077 12.271 3.213 1.00 0.00 H new ATOM 1439 N THR A 98 3.800 15.370 4.472 1.00 0.00 N ATOM 1440 CA THR A 98 4.532 16.532 4.950 1.00 0.00 C ATOM 1441 C THR A 98 4.204 17.764 4.113 1.00 0.00 C ATOM 1442 O THR A 98 4.193 18.888 4.609 1.00 0.00 O ATOM 1443 CB THR A 98 6.043 16.259 4.910 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.316 15.025 5.589 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.830 17.382 5.566 1.00 0.00 C ATOM 0 H THR A 98 4.380 14.667 4.013 1.00 0.00 H new ATOM 0 HA THR A 98 4.230 16.725 5.979 1.00 0.00 H new ATOM 0 HB THR A 98 6.352 16.196 3.867 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.279 14.845 5.565 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.895 17.155 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.635 18.317 5.042 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.525 17.480 6.608 1.00 0.00 H new