USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 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 2 THR OG1 : rot 15:sc= 0.855 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -3.87! C(o=-7.2!,f=-3.9!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 168:sc= -9.36! (180deg=-11.1!) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.409 (180deg=-1.48!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-2.3!) USER MOD Single : A 38 ASN : amide:sc= -5.69! C(o=-5.7!,f=-5.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -3.73! USER MOD Single : A 47 ASN : amide:sc= -0.814 K(o=-0.81,f=-2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -80:sc= 1.11 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -170:sc= -2.82! USER MOD Single : A 71 GLN :FLIP amide:sc= -0.466 F(o=-3!,f=-0.47) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 85 SER OG : rot 38:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 50.097 -13.630 20.045 1.00 0.00 N ATOM 21 CA THR A 2 51.457 -13.179 19.763 1.00 0.00 C ATOM 22 C THR A 2 52.029 -13.900 18.550 1.00 0.00 C ATOM 23 O THR A 2 51.661 -15.041 18.269 1.00 0.00 O ATOM 24 CB THR A 2 52.364 -13.470 20.967 1.00 0.00 C ATOM 25 OG1 THR A 2 51.581 -13.984 22.035 1.00 0.00 O ATOM 26 CG2 THR A 2 53.061 -12.186 21.417 1.00 0.00 C ATOM 0 HA THR A 2 51.418 -12.108 19.564 1.00 0.00 H new ATOM 0 HB THR A 2 53.117 -14.203 20.679 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.703 -14.256 21.695 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.703 -12.401 22.272 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.665 -11.794 20.599 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.313 -11.446 21.702 1.00 0.00 H new ATOM 34 N VAL A 3 52.968 -13.255 17.862 1.00 0.00 N ATOM 35 CA VAL A 3 53.614 -13.863 16.739 1.00 0.00 C ATOM 36 C VAL A 3 55.057 -13.488 16.771 1.00 0.00 C ATOM 37 O VAL A 3 55.413 -12.341 17.031 1.00 0.00 O ATOM 38 CB VAL A 3 53.027 -13.404 15.432 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.857 -14.300 15.081 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.576 -11.953 15.552 1.00 0.00 C ATOM 0 H VAL A 3 53.288 -12.310 18.076 1.00 0.00 H new ATOM 0 HA VAL A 3 53.475 -14.942 16.808 1.00 0.00 H new ATOM 0 HB VAL A 3 53.775 -13.465 14.642 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.423 -13.977 14.135 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.202 -15.330 14.989 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.103 -14.238 15.866 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.151 -11.624 14.603 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.822 -11.870 16.335 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.431 -11.326 15.803 1.00 0.00 H new ATOM 50 N LYS A 4 55.876 -14.456 16.504 1.00 0.00 N ATOM 51 CA LYS A 4 57.281 -14.240 16.497 1.00 0.00 C ATOM 52 C LYS A 4 57.944 -15.213 15.569 1.00 0.00 C ATOM 53 O LYS A 4 57.560 -16.379 15.479 1.00 0.00 O ATOM 54 CB LYS A 4 57.839 -14.386 17.887 1.00 0.00 C ATOM 55 CG LYS A 4 57.264 -15.647 18.545 1.00 0.00 C ATOM 56 CD LYS A 4 55.919 -15.327 19.241 1.00 0.00 C ATOM 57 CE LYS A 4 54.776 -16.134 18.606 1.00 0.00 C ATOM 58 NZ LYS A 4 54.743 -17.501 19.199 1.00 0.00 N ATOM 0 H LYS A 4 55.589 -15.410 16.287 1.00 0.00 H new ATOM 0 HA LYS A 4 57.479 -13.227 16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.927 -14.448 17.848 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.591 -13.508 18.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.116 -16.422 17.793 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.973 -16.040 19.273 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.989 -15.559 20.304 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.707 -14.261 19.161 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.824 -15.630 18.774 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.917 -16.197 17.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.969 -18.047 18.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.648 -17.980 19.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.589 -17.431 20.225 1.00 0.00 H new ATOM 72 N GLN A 5 58.915 -14.709 14.856 1.00 0.00 N ATOM 73 CA GLN A 5 59.615 -15.508 13.886 1.00 0.00 C ATOM 74 C GLN A 5 61.064 -15.073 13.762 1.00 0.00 C ATOM 75 O GLN A 5 61.427 -13.943 14.067 1.00 0.00 O ATOM 76 CB GLN A 5 58.921 -15.357 12.550 1.00 0.00 C ATOM 77 CG GLN A 5 57.404 -15.372 12.756 1.00 0.00 C ATOM 78 CD GLN A 5 56.698 -15.389 11.404 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.972 -14.463 10.525 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.876 -16.267 11.142 1.00 0.00 N flip ATOM 0 H GLN A 5 59.240 -13.745 14.929 1.00 0.00 H new ATOM 0 HA GLN A 5 59.605 -16.550 14.207 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.225 -14.424 12.074 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.216 -16.166 11.882 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.116 -16.247 13.338 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.097 -14.495 13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.664 -16.989 11.831 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.407 -16.273 10.236 1.00 0.00 H new ATOM 89 N THR A 6 61.881 -15.997 13.326 1.00 0.00 N ATOM 90 CA THR A 6 63.287 -15.757 13.155 1.00 0.00 C ATOM 91 C THR A 6 63.636 -15.663 11.676 1.00 0.00 C ATOM 92 O THR A 6 63.635 -16.670 10.967 1.00 0.00 O ATOM 93 CB THR A 6 64.062 -16.901 13.803 1.00 0.00 C ATOM 94 OG1 THR A 6 63.305 -17.430 14.882 1.00 0.00 O ATOM 95 CG2 THR A 6 65.389 -16.381 14.321 1.00 0.00 C ATOM 0 H THR A 6 61.586 -16.942 13.079 1.00 0.00 H new ATOM 0 HA THR A 6 63.554 -14.812 13.628 1.00 0.00 H new ATOM 0 HB THR A 6 64.242 -17.684 13.067 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.800 -18.166 15.299 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.944 -17.197 14.784 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.968 -15.973 13.493 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.210 -15.599 15.059 1.00 0.00 H new ATOM 103 N VAL A 7 63.938 -14.454 11.210 1.00 0.00 N ATOM 104 CA VAL A 7 64.290 -14.272 9.801 1.00 0.00 C ATOM 105 C VAL A 7 65.808 -14.250 9.636 1.00 0.00 C ATOM 106 O VAL A 7 66.492 -13.380 10.173 1.00 0.00 O ATOM 107 CB VAL A 7 63.691 -12.962 9.253 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.347 -13.117 7.758 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.422 -12.606 10.034 1.00 0.00 C ATOM 0 H VAL A 7 63.947 -13.602 11.771 1.00 0.00 H new ATOM 0 HA VAL A 7 63.878 -15.109 9.237 1.00 0.00 H new ATOM 0 HB VAL A 7 64.426 -12.165 9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.925 -12.185 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.252 -13.356 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.621 -13.920 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.002 -11.679 9.643 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.692 -13.408 9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.668 -12.477 11.088 1.00 0.00 H new ATOM 119 N GLU A 8 66.327 -15.216 8.886 1.00 0.00 N ATOM 120 CA GLU A 8 67.764 -15.303 8.653 1.00 0.00 C ATOM 121 C GLU A 8 68.156 -14.458 7.450 1.00 0.00 C ATOM 122 O GLU A 8 67.697 -14.706 6.335 1.00 0.00 O ATOM 123 CB GLU A 8 68.166 -16.758 8.405 1.00 0.00 C ATOM 124 CG GLU A 8 67.788 -17.607 9.620 1.00 0.00 C ATOM 125 CD GLU A 8 67.916 -19.088 9.280 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.888 -19.690 9.704 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.040 -19.598 8.601 1.00 0.00 O ATOM 0 H GLU A 8 65.778 -15.946 8.431 1.00 0.00 H new ATOM 0 HA GLU A 8 68.282 -14.929 9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.666 -17.137 7.514 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.238 -16.824 8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.435 -17.361 10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.767 -17.383 9.927 1.00 0.00 H new ATOM 134 N ILE A 9 69.009 -13.460 7.671 1.00 0.00 N ATOM 135 CA ILE A 9 69.440 -12.606 6.570 1.00 0.00 C ATOM 136 C ILE A 9 70.650 -13.191 5.879 1.00 0.00 C ATOM 137 O ILE A 9 71.355 -14.039 6.426 1.00 0.00 O ATOM 138 CB ILE A 9 69.847 -11.181 7.023 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.780 -11.011 8.561 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.983 -10.138 6.315 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.516 -10.237 8.997 1.00 0.00 C ATOM 0 H ILE A 9 69.407 -13.227 8.581 1.00 0.00 H new ATOM 0 HA ILE A 9 68.577 -12.546 5.907 1.00 0.00 H new ATOM 0 HB ILE A 9 70.888 -11.029 6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.788 -11.992 9.036 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.668 -10.482 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.277 -9.140 6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.120 -10.223 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.935 -10.306 6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.506 -10.139 10.083 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.521 -9.246 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.628 -10.779 8.674 1.00 0.00 H new ATOM 311 N ALA A 20 61.824 -1.797 7.640 1.00 0.00 N ATOM 312 CA ALA A 20 61.895 -1.989 9.089 1.00 0.00 C ATOM 313 C ALA A 20 61.183 -0.877 9.854 1.00 0.00 C ATOM 314 O ALA A 20 60.706 -1.086 10.966 1.00 0.00 O ATOM 315 CB ALA A 20 63.367 -2.027 9.496 1.00 0.00 C ATOM 0 HA ALA A 20 61.393 -2.924 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.443 -2.170 10.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 63.865 -2.851 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 63.845 -1.087 9.220 1.00 0.00 H new ATOM 321 N MET A 21 61.147 0.305 9.267 1.00 0.00 N ATOM 322 CA MET A 21 60.535 1.446 9.887 1.00 0.00 C ATOM 323 C MET A 21 59.047 1.474 9.576 1.00 0.00 C ATOM 324 O MET A 21 58.241 1.826 10.437 1.00 0.00 O ATOM 325 CB MET A 21 61.249 2.712 9.410 1.00 0.00 C ATOM 326 CG MET A 21 62.715 2.671 9.894 1.00 0.00 C ATOM 327 SD MET A 21 63.414 1.024 9.689 1.00 0.00 S ATOM 328 CE MET A 21 63.099 0.845 7.921 1.00 0.00 C ATOM 0 H MET A 21 61.544 0.492 8.346 1.00 0.00 H new ATOM 0 HA MET A 21 60.633 1.387 10.971 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.213 2.778 8.323 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.748 3.598 9.800 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.307 3.394 9.334 1.00 0.00 H new ATOM 0 HG3 MET A 21 62.764 2.963 10.943 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.644 -0.019 7.540 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.031 0.703 7.754 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.432 1.742 7.399 1.00 0.00 H new ATOM 338 N LYS A 22 58.667 1.057 8.365 1.00 0.00 N ATOM 339 CA LYS A 22 57.245 1.012 8.035 1.00 0.00 C ATOM 340 C LYS A 22 56.522 0.321 9.176 1.00 0.00 C ATOM 341 O LYS A 22 55.473 0.768 9.616 1.00 0.00 O ATOM 342 CB LYS A 22 56.991 0.248 6.736 1.00 0.00 C ATOM 343 CG LYS A 22 58.070 0.603 5.728 1.00 0.00 C ATOM 344 CD LYS A 22 58.020 2.105 5.419 1.00 0.00 C ATOM 345 CE LYS A 22 58.644 2.370 4.044 1.00 0.00 C ATOM 346 NZ LYS A 22 59.674 1.332 3.755 1.00 0.00 N ATOM 0 H LYS A 22 59.299 0.757 7.623 1.00 0.00 H new ATOM 0 HA LYS A 22 56.881 2.030 7.894 1.00 0.00 H new ATOM 0 HB2 LYS A 22 56.993 -0.825 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.008 0.500 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.051 0.336 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 22 57.928 0.029 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 22 56.988 2.455 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.557 2.662 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 22 57.872 2.356 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.096 3.362 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.330 1.686 3.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 60.203 1.116 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 59.209 0.468 3.409 1.00 0.00 H new ATOM 360 N LEU A 23 57.137 -0.744 9.688 1.00 0.00 N ATOM 361 CA LEU A 23 56.597 -1.473 10.818 1.00 0.00 C ATOM 362 C LEU A 23 55.927 -0.490 11.752 1.00 0.00 C ATOM 363 O LEU A 23 54.849 -0.736 12.286 1.00 0.00 O ATOM 364 CB LEU A 23 57.772 -2.110 11.561 1.00 0.00 C ATOM 365 CG LEU A 23 57.984 -3.572 11.162 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.817 -3.675 9.872 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.737 -4.250 12.302 1.00 0.00 C ATOM 0 H LEU A 23 58.016 -1.118 9.330 1.00 0.00 H new ATOM 0 HA LEU A 23 55.883 -2.227 10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 23 58.680 -1.544 11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.596 -2.050 12.635 1.00 0.00 H new ATOM 0 HG LEU A 23 57.021 -4.049 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.954 -4.724 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.298 -3.163 9.062 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.791 -3.211 10.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.907 -5.298 12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.695 -3.752 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.148 -4.185 13.217 1.00 0.00 H new ATOM 379 N PHE A 24 56.622 0.619 11.946 1.00 0.00 N ATOM 380 CA PHE A 24 56.169 1.673 12.828 1.00 0.00 C ATOM 381 C PHE A 24 55.033 2.474 12.187 1.00 0.00 C ATOM 382 O PHE A 24 53.900 2.481 12.679 1.00 0.00 O ATOM 383 CB PHE A 24 57.354 2.596 13.126 1.00 0.00 C ATOM 384 CG PHE A 24 58.660 1.814 13.200 1.00 0.00 C ATOM 385 CD1 PHE A 24 58.672 0.414 13.354 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.877 2.502 13.086 1.00 0.00 C ATOM 387 CE1 PHE A 24 59.884 -0.274 13.390 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.085 1.806 13.133 1.00 0.00 C ATOM 389 CZ PHE A 24 61.085 0.420 13.282 1.00 0.00 C ATOM 0 H PHE A 24 57.516 0.810 11.494 1.00 0.00 H new ATOM 0 HA PHE A 24 55.788 1.233 13.750 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.428 3.359 12.351 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.185 3.116 14.069 1.00 0.00 H new ATOM 0 HD1 PHE A 24 57.742 -0.127 13.444 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.879 3.575 12.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 59.891 -1.348 13.502 1.00 0.00 H new ATOM 0 HE2 PHE A 24 62.020 2.341 13.054 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.021 -0.117 13.314 1.00 0.00 H new ATOM 399 N GLU A 25 55.332 3.125 11.069 1.00 0.00 N ATOM 400 CA GLU A 25 54.316 3.900 10.367 1.00 0.00 C ATOM 401 C GLU A 25 53.202 2.966 9.936 1.00 0.00 C ATOM 402 O GLU A 25 52.050 3.371 9.775 1.00 0.00 O ATOM 403 CB GLU A 25 54.923 4.596 9.143 1.00 0.00 C ATOM 404 CG GLU A 25 55.516 5.946 9.557 1.00 0.00 C ATOM 405 CD GLU A 25 56.064 6.671 8.333 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.739 6.261 7.231 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.800 7.627 8.515 1.00 0.00 O ATOM 0 H GLU A 25 56.255 3.133 10.634 1.00 0.00 H new ATOM 0 HA GLU A 25 53.920 4.667 11.032 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.697 3.968 8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.159 4.742 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.752 6.556 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.311 5.795 10.287 1.00 0.00 H new ATOM 414 N LEU A 26 53.563 1.704 9.777 1.00 0.00 N ATOM 415 CA LEU A 26 52.615 0.682 9.396 1.00 0.00 C ATOM 416 C LEU A 26 51.911 0.190 10.651 1.00 0.00 C ATOM 417 O LEU A 26 50.776 -0.280 10.601 1.00 0.00 O ATOM 418 CB LEU A 26 53.355 -0.457 8.684 1.00 0.00 C ATOM 419 CG LEU A 26 52.392 -1.551 8.249 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.065 -2.426 9.451 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.108 -0.945 7.668 1.00 0.00 C ATOM 0 H LEU A 26 54.516 1.365 9.908 1.00 0.00 H new ATOM 0 HA LEU A 26 51.869 1.078 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.881 -0.065 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.109 -0.876 9.350 1.00 0.00 H new ATOM 0 HG LEU A 26 52.860 -2.154 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.375 -3.214 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 26 52.982 -2.873 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.604 -1.818 10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.433 -1.745 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.622 -0.329 8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.355 -0.330 6.803 1.00 0.00 H new ATOM 433 N MET A 27 52.580 0.344 11.793 1.00 0.00 N ATOM 434 CA MET A 27 51.977 -0.045 13.056 1.00 0.00 C ATOM 435 C MET A 27 50.686 0.736 13.171 1.00 0.00 C ATOM 436 O MET A 27 49.704 0.281 13.755 1.00 0.00 O ATOM 437 CB MET A 27 52.914 0.259 14.242 1.00 0.00 C ATOM 438 CG MET A 27 52.522 1.570 14.940 1.00 0.00 C ATOM 439 SD MET A 27 51.089 1.283 16.009 1.00 0.00 S ATOM 440 CE MET A 27 51.342 2.696 17.111 1.00 0.00 C ATOM 0 H MET A 27 53.522 0.728 11.865 1.00 0.00 H new ATOM 0 HA MET A 27 51.791 -1.119 13.082 1.00 0.00 H new ATOM 0 HB2 MET A 27 52.876 -0.562 14.958 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.943 0.326 13.888 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.359 1.945 15.529 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.288 2.333 14.198 1.00 0.00 H new ATOM 0 HE1 MET A 27 50.555 2.715 17.865 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.312 2.607 17.601 1.00 0.00 H new ATOM 0 HE3 MET A 27 51.312 3.619 16.532 1.00 0.00 H new ATOM 450 N GLN A 28 50.697 1.917 12.555 1.00 0.00 N ATOM 451 CA GLN A 28 49.513 2.755 12.542 1.00 0.00 C ATOM 452 C GLN A 28 48.440 2.019 11.759 1.00 0.00 C ATOM 453 O GLN A 28 47.253 2.337 11.838 1.00 0.00 O ATOM 454 CB GLN A 28 49.815 4.101 11.880 1.00 0.00 C ATOM 455 CG GLN A 28 51.056 4.722 12.525 1.00 0.00 C ATOM 456 CD GLN A 28 51.227 6.160 12.047 1.00 0.00 C ATOM 457 OE1 GLN A 28 52.095 6.443 11.222 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.443 7.091 12.518 1.00 0.00 N ATOM 0 H GLN A 28 51.504 2.306 12.066 1.00 0.00 H new ATOM 0 HA GLN A 28 49.180 2.953 13.561 1.00 0.00 H new ATOM 0 HB2 GLN A 28 49.978 3.964 10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 28 48.962 4.771 11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.962 4.700 13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.940 4.138 12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 28 49.724 6.855 13.202 1.00 0.00 H new ATOM 0 HE22 GLN A 28 50.549 8.055 12.202 1.00 0.00 H new ATOM 467 N GLY A 29 48.886 1.001 11.023 1.00 0.00 N ATOM 468 CA GLY A 29 47.980 0.167 10.236 1.00 0.00 C ATOM 469 C GLY A 29 47.603 -1.064 11.045 1.00 0.00 C ATOM 470 O GLY A 29 46.426 -1.400 11.182 1.00 0.00 O ATOM 0 H GLY A 29 49.868 0.735 10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.085 0.731 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.458 -0.129 9.302 1.00 0.00 H new ATOM 474 N PHE A 30 48.617 -1.708 11.616 1.00 0.00 N ATOM 475 CA PHE A 30 48.400 -2.878 12.458 1.00 0.00 C ATOM 476 C PHE A 30 48.641 -2.500 13.908 1.00 0.00 C ATOM 477 O PHE A 30 49.657 -1.888 14.232 1.00 0.00 O ATOM 478 CB PHE A 30 49.360 -4.016 12.124 1.00 0.00 C ATOM 479 CG PHE A 30 49.390 -4.332 10.647 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.609 -4.655 10.077 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.235 -4.334 9.861 1.00 0.00 C ATOM 482 CE1 PHE A 30 50.712 -4.977 8.728 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.329 -4.653 8.497 1.00 0.00 C ATOM 484 CZ PHE A 30 49.572 -4.974 7.930 1.00 0.00 C ATOM 0 H PHE A 30 49.595 -1.439 11.511 1.00 0.00 H new ATOM 0 HA PHE A 30 47.377 -3.212 12.285 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.364 -3.750 12.456 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.067 -4.908 12.677 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.497 -4.657 10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.278 -4.092 10.299 1.00 0.00 H new ATOM 0 HE1 PHE A 30 51.672 -5.228 8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.441 -4.651 7.882 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.643 -5.217 6.880 1.00 0.00 H new ATOM 494 N ASP A 31 47.747 -2.911 14.790 1.00 0.00 N ATOM 495 CA ASP A 31 47.933 -2.644 16.193 1.00 0.00 C ATOM 496 C ASP A 31 48.701 -3.813 16.737 1.00 0.00 C ATOM 497 O ASP A 31 48.149 -4.896 16.919 1.00 0.00 O ATOM 498 CB ASP A 31 46.591 -2.496 16.904 1.00 0.00 C ATOM 499 CG ASP A 31 46.813 -2.225 18.388 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.855 -1.867 19.053 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.936 -2.381 18.837 1.00 0.00 O ATOM 0 H ASP A 31 46.897 -3.424 14.557 1.00 0.00 H new ATOM 0 HA ASP A 31 48.469 -1.708 16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.022 -1.680 16.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.001 -3.403 16.776 1.00 0.00 H new ATOM 506 N ALA A 32 49.990 -3.622 16.931 1.00 0.00 N ATOM 507 CA ALA A 32 50.806 -4.695 17.379 1.00 0.00 C ATOM 508 C ALA A 32 52.179 -4.189 17.719 1.00 0.00 C ATOM 509 O ALA A 32 52.674 -3.227 17.132 1.00 0.00 O ATOM 510 CB ALA A 32 50.895 -5.738 16.286 1.00 0.00 C ATOM 0 H ALA A 32 50.477 -2.738 16.783 1.00 0.00 H new ATOM 0 HA ALA A 32 50.367 -5.139 18.273 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.520 -6.565 16.622 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.896 -6.109 16.054 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.333 -5.292 15.393 1.00 0.00 H new ATOM 516 N GLU A 33 52.779 -4.840 18.677 1.00 0.00 N ATOM 517 CA GLU A 33 54.088 -4.473 19.123 1.00 0.00 C ATOM 518 C GLU A 33 55.107 -5.421 18.542 1.00 0.00 C ATOM 519 O GLU A 33 55.408 -6.471 19.107 1.00 0.00 O ATOM 520 CB GLU A 33 54.084 -4.528 20.625 1.00 0.00 C ATOM 521 CG GLU A 33 54.712 -3.257 21.178 1.00 0.00 C ATOM 522 CD GLU A 33 54.930 -3.386 22.682 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.735 -4.214 23.076 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.288 -2.655 23.418 1.00 0.00 O ATOM 0 H GLU A 33 52.373 -5.637 19.167 1.00 0.00 H new ATOM 0 HA GLU A 33 54.352 -3.468 18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 33 53.064 -4.633 20.994 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.639 -5.401 20.970 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.663 -3.067 20.681 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.067 -2.404 20.969 1.00 0.00 H new ATOM 531 N VAL A 34 55.615 -5.030 17.400 1.00 0.00 N ATOM 532 CA VAL A 34 56.596 -5.839 16.695 1.00 0.00 C ATOM 533 C VAL A 34 57.963 -5.688 17.340 1.00 0.00 C ATOM 534 O VAL A 34 58.450 -4.576 17.529 1.00 0.00 O ATOM 535 CB VAL A 34 56.703 -5.410 15.228 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.371 -6.526 14.419 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.317 -5.108 14.653 1.00 0.00 C ATOM 0 H VAL A 34 55.370 -4.157 16.933 1.00 0.00 H new ATOM 0 HA VAL A 34 56.269 -6.877 16.748 1.00 0.00 H new ATOM 0 HB VAL A 34 57.305 -4.504 15.168 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.448 -6.222 13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.368 -6.716 14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.773 -7.435 14.490 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.414 -4.805 13.610 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.695 -6.001 14.715 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.854 -4.303 15.223 1.00 0.00 H new ATOM 547 N LEU A 35 58.576 -6.810 17.694 1.00 0.00 N ATOM 548 CA LEU A 35 59.880 -6.773 18.331 1.00 0.00 C ATOM 549 C LEU A 35 60.959 -7.357 17.413 1.00 0.00 C ATOM 550 O LEU A 35 60.849 -8.494 16.959 1.00 0.00 O ATOM 551 CB LEU A 35 59.823 -7.588 19.617 1.00 0.00 C ATOM 552 CG LEU A 35 60.869 -7.108 20.616 1.00 0.00 C ATOM 553 CD1 LEU A 35 60.887 -8.079 21.794 1.00 0.00 C ATOM 554 CD2 LEU A 35 62.246 -7.089 19.950 1.00 0.00 C ATOM 0 H LEU A 35 58.195 -7.745 17.552 1.00 0.00 H new ATOM 0 HA LEU A 35 60.135 -5.735 18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.830 -7.508 20.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.987 -8.642 19.391 1.00 0.00 H new ATOM 0 HG LEU A 35 60.627 -6.102 20.958 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.630 -7.754 22.522 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.904 -8.100 22.264 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.140 -9.078 21.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.992 -6.745 20.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.502 -8.094 19.614 1.00 0.00 H new ATOM 0 HD23 LEU A 35 62.227 -6.414 19.094 1.00 0.00 H new ATOM 566 N LEU A 36 61.996 -6.570 17.150 1.00 0.00 N ATOM 567 CA LEU A 36 63.100 -6.999 16.291 1.00 0.00 C ATOM 568 C LEU A 36 64.375 -7.250 17.104 1.00 0.00 C ATOM 569 O LEU A 36 64.869 -6.351 17.772 1.00 0.00 O ATOM 570 CB LEU A 36 63.382 -5.898 15.280 1.00 0.00 C ATOM 571 CG LEU A 36 62.384 -5.981 14.127 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.954 -5.967 14.671 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.580 -4.773 13.223 1.00 0.00 C ATOM 0 H LEU A 36 62.098 -5.625 17.521 1.00 0.00 H new ATOM 0 HA LEU A 36 62.814 -7.928 15.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.313 -4.923 15.763 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.399 -5.994 14.900 1.00 0.00 H new ATOM 0 HG LEU A 36 62.548 -6.904 13.571 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.249 -6.026 13.842 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.808 -6.820 15.333 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.785 -5.044 15.226 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.873 -4.820 12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.410 -3.860 13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.597 -4.772 12.832 1.00 0.00 H new ATOM 585 N ARG A 37 64.911 -8.468 17.035 1.00 0.00 N ATOM 586 CA ARG A 37 66.128 -8.801 17.757 1.00 0.00 C ATOM 587 C ARG A 37 66.953 -9.836 17.017 1.00 0.00 C ATOM 588 O ARG A 37 66.425 -10.604 16.223 1.00 0.00 O ATOM 589 CB ARG A 37 65.787 -9.373 19.126 1.00 0.00 C ATOM 590 CG ARG A 37 64.841 -10.569 18.982 1.00 0.00 C ATOM 591 CD ARG A 37 63.921 -10.669 20.205 1.00 0.00 C ATOM 592 NE ARG A 37 64.615 -10.242 21.424 1.00 0.00 N ATOM 593 CZ ARG A 37 65.830 -10.683 21.746 1.00 0.00 C ATOM 594 NH1 ARG A 37 66.429 -10.216 22.807 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.412 -11.601 21.025 1.00 0.00 N ATOM 0 H ARG A 37 64.520 -9.235 16.487 1.00 0.00 H new ATOM 0 HA ARG A 37 66.703 -7.880 17.852 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.699 -9.682 19.636 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.321 -8.605 19.743 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.244 -10.462 18.077 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.418 -11.488 18.876 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.037 -10.050 20.050 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.575 -11.696 20.321 1.00 0.00 H new ATOM 0 HE ARG A 37 64.150 -9.583 22.049 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.967 -9.516 23.387 1.00 0.00 H new ATOM 0 HH12 ARG A 37 67.359 -10.551 23.057 1.00 0.00 H new ATOM 0 HH21 ARG A 37 65.937 -11.986 20.209 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.342 -11.934 21.277 1.00 0.00 H new ATOM 609 N ASN A 38 68.243 -9.900 17.336 1.00 0.00 N ATOM 610 CA ASN A 38 69.107 -10.902 16.736 1.00 0.00 C ATOM 611 C ASN A 38 69.362 -11.991 17.752 1.00 0.00 C ATOM 612 O ASN A 38 69.630 -11.691 18.928 1.00 0.00 O ATOM 613 CB ASN A 38 70.478 -10.353 16.368 1.00 0.00 C ATOM 614 CG ASN A 38 70.427 -9.235 15.359 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.628 -9.250 14.427 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.278 -8.262 15.492 1.00 0.00 N ATOM 0 H ASN A 38 68.705 -9.277 17.998 1.00 0.00 H new ATOM 0 HA ASN A 38 68.601 -11.253 15.837 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.971 -9.994 17.271 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.090 -11.163 15.971 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.288 -7.497 14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.936 -8.263 16.271 1.00 0.00 H new ATOM 623 N ASP A 39 69.337 -13.239 17.300 1.00 0.00 N ATOM 624 CA ASP A 39 69.619 -14.358 18.197 1.00 0.00 C ATOM 625 C ASP A 39 70.892 -14.062 18.984 1.00 0.00 C ATOM 626 O ASP A 39 71.276 -14.808 19.884 1.00 0.00 O ATOM 627 CB ASP A 39 69.796 -15.654 17.407 1.00 0.00 C ATOM 628 CG ASP A 39 70.170 -16.791 18.352 1.00 0.00 C ATOM 629 OD1 ASP A 39 69.288 -17.277 19.041 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.332 -17.160 18.373 1.00 0.00 O ATOM 0 H ASP A 39 69.129 -13.501 16.337 1.00 0.00 H new ATOM 0 HA ASP A 39 68.778 -14.482 18.880 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.874 -15.897 16.879 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.572 -15.527 16.652 1.00 0.00 H new ATOM 635 N GLU A 40 71.530 -12.950 18.629 1.00 0.00 N ATOM 636 CA GLU A 40 72.752 -12.515 19.284 1.00 0.00 C ATOM 637 C GLU A 40 72.436 -11.978 20.662 1.00 0.00 C ATOM 638 O GLU A 40 73.321 -11.783 21.496 1.00 0.00 O ATOM 639 CB GLU A 40 73.380 -11.386 18.455 1.00 0.00 C ATOM 640 CG GLU A 40 72.849 -10.019 18.883 1.00 0.00 C ATOM 641 CD GLU A 40 73.614 -9.509 20.103 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.028 -9.465 21.172 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.776 -9.171 19.948 1.00 0.00 O ATOM 0 H GLU A 40 71.214 -12.331 17.883 1.00 0.00 H new ATOM 0 HA GLU A 40 73.436 -13.359 19.369 1.00 0.00 H new ATOM 0 HB2 GLU A 40 74.464 -11.409 18.568 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.167 -11.546 17.398 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.948 -9.310 18.061 1.00 0.00 H new ATOM 0 HG3 GLU A 40 71.787 -10.091 19.116 1.00 0.00 H new ATOM 650 N GLY A 41 71.167 -11.688 20.864 1.00 0.00 N ATOM 651 CA GLY A 41 70.713 -11.108 22.106 1.00 0.00 C ATOM 652 C GLY A 41 70.402 -9.648 21.847 1.00 0.00 C ATOM 653 O GLY A 41 69.869 -8.948 22.708 1.00 0.00 O ATOM 0 H GLY A 41 70.429 -11.847 20.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.827 -11.629 22.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.479 -11.205 22.876 1.00 0.00 H new ATOM 657 N THR A 42 70.724 -9.197 20.627 1.00 0.00 N ATOM 658 CA THR A 42 70.445 -7.805 20.259 1.00 0.00 C ATOM 659 C THR A 42 68.944 -7.640 20.097 1.00 0.00 C ATOM 660 O THR A 42 68.319 -8.412 19.378 1.00 0.00 O ATOM 661 CB THR A 42 71.156 -7.417 18.952 1.00 0.00 C ATOM 662 OG1 THR A 42 72.553 -7.316 19.185 1.00 0.00 O ATOM 663 CG2 THR A 42 70.624 -6.069 18.460 1.00 0.00 C ATOM 0 H THR A 42 71.165 -9.758 19.898 1.00 0.00 H new ATOM 0 HA THR A 42 70.819 -7.150 21.045 1.00 0.00 H new ATOM 0 HB THR A 42 70.966 -8.180 18.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 73.007 -7.070 18.352 1.00 0.00 H new ATOM 0 HG21 THR A 42 71.129 -5.795 17.534 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.552 -6.145 18.280 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.812 -5.306 19.215 1.00 0.00 H new ATOM 671 N GLU A 43 68.359 -6.658 20.782 1.00 0.00 N ATOM 672 CA GLU A 43 66.912 -6.461 20.702 1.00 0.00 C ATOM 673 C GLU A 43 66.529 -5.050 20.273 1.00 0.00 C ATOM 674 O GLU A 43 67.033 -4.061 20.804 1.00 0.00 O ATOM 675 CB GLU A 43 66.273 -6.773 22.057 1.00 0.00 C ATOM 676 CG GLU A 43 67.073 -6.091 23.169 1.00 0.00 C ATOM 677 CD GLU A 43 66.348 -6.245 24.502 1.00 0.00 C ATOM 678 OE1 GLU A 43 67.006 -6.569 25.478 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.146 -6.038 24.528 1.00 0.00 O ATOM 0 H GLU A 43 68.851 -6.000 21.386 1.00 0.00 H new ATOM 0 HA GLU A 43 66.540 -7.143 19.937 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.240 -6.425 22.072 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.249 -7.850 22.220 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.068 -6.530 23.234 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.205 -5.034 22.937 1.00 0.00 H new ATOM 686 N ALA A 44 65.616 -4.979 19.301 1.00 0.00 N ATOM 687 CA ALA A 44 65.138 -3.706 18.785 1.00 0.00 C ATOM 688 C ALA A 44 63.615 -3.656 18.750 1.00 0.00 C ATOM 689 O ALA A 44 62.973 -4.455 18.069 1.00 0.00 O ATOM 690 CB ALA A 44 65.671 -3.499 17.372 1.00 0.00 C ATOM 0 H ALA A 44 65.195 -5.795 18.858 1.00 0.00 H new ATOM 0 HA ALA A 44 65.496 -2.918 19.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.313 -2.545 16.984 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.761 -3.497 17.391 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.321 -4.306 16.729 1.00 0.00 H new ATOM 696 N GLU A 45 63.048 -2.692 19.464 1.00 0.00 N ATOM 697 CA GLU A 45 61.603 -2.523 19.488 1.00 0.00 C ATOM 698 C GLU A 45 61.162 -1.740 18.261 1.00 0.00 C ATOM 699 O GLU A 45 61.469 -0.555 18.134 1.00 0.00 O ATOM 700 CB GLU A 45 61.184 -1.765 20.751 1.00 0.00 C ATOM 701 CG GLU A 45 61.020 -2.750 21.905 1.00 0.00 C ATOM 702 CD GLU A 45 60.795 -1.994 23.210 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.654 -1.669 23.495 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.767 -1.750 23.906 1.00 0.00 O ATOM 0 H GLU A 45 63.564 -2.019 20.031 1.00 0.00 H new ATOM 0 HA GLU A 45 61.131 -3.505 19.486 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.933 -1.015 21.003 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.248 -1.234 20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.178 -3.414 21.710 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.908 -3.377 21.987 1.00 0.00 H new ATOM 711 N ALA A 46 60.452 -2.405 17.356 1.00 0.00 N ATOM 712 CA ALA A 46 59.989 -1.749 16.143 1.00 0.00 C ATOM 713 C ALA A 46 59.544 -0.321 16.430 1.00 0.00 C ATOM 714 O ALA A 46 58.375 -0.076 16.723 1.00 0.00 O ATOM 715 CB ALA A 46 58.821 -2.520 15.559 1.00 0.00 C ATOM 0 H ALA A 46 60.188 -3.387 17.439 1.00 0.00 H new ATOM 0 HA ALA A 46 60.817 -1.725 15.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.477 -2.026 14.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.138 -3.536 15.322 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.008 -2.553 16.284 1.00 0.00 H new ATOM 721 N ASN A 47 60.485 0.608 16.342 1.00 0.00 N ATOM 722 CA ASN A 47 60.202 2.017 16.592 1.00 0.00 C ATOM 723 C ASN A 47 61.475 2.714 17.043 1.00 0.00 C ATOM 724 O ASN A 47 61.624 3.925 16.875 1.00 0.00 O ATOM 725 CB ASN A 47 59.116 2.171 17.668 1.00 0.00 C ATOM 726 CG ASN A 47 59.239 3.526 18.362 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.360 4.555 17.698 1.00 0.00 O ATOM 728 ND2 ASN A 47 59.215 3.586 19.665 1.00 0.00 N ATOM 0 H ASN A 47 61.456 0.412 16.098 1.00 0.00 H new ATOM 0 HA ASN A 47 59.839 2.472 15.670 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.130 2.077 17.214 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.207 1.370 18.402 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.297 4.487 20.136 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.115 2.732 20.213 1.00 0.00 H new ATOM 735 N SER A 48 62.394 1.943 17.618 1.00 0.00 N ATOM 736 CA SER A 48 63.650 2.509 18.088 1.00 0.00 C ATOM 737 C SER A 48 64.716 2.424 17.001 1.00 0.00 C ATOM 738 O SER A 48 65.619 1.594 17.075 1.00 0.00 O ATOM 739 CB SER A 48 64.119 1.754 19.329 1.00 0.00 C ATOM 740 OG SER A 48 63.316 2.132 20.440 1.00 0.00 O ATOM 0 H SER A 48 62.293 0.939 17.767 1.00 0.00 H new ATOM 0 HA SER A 48 63.490 3.558 18.337 1.00 0.00 H new ATOM 0 HB2 SER A 48 64.048 0.679 19.163 1.00 0.00 H new ATOM 0 HB3 SER A 48 65.167 1.977 19.530 1.00 0.00 H new ATOM 0 HG SER A 48 63.613 1.648 21.238 1.00 0.00 H new ATOM 746 N VAL A 49 64.606 3.287 15.991 1.00 0.00 N ATOM 747 CA VAL A 49 65.573 3.292 14.894 1.00 0.00 C ATOM 748 C VAL A 49 66.983 3.082 15.424 1.00 0.00 C ATOM 749 O VAL A 49 67.820 2.463 14.768 1.00 0.00 O ATOM 750 CB VAL A 49 65.507 4.611 14.136 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.098 4.428 12.736 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.045 5.051 14.021 1.00 0.00 C ATOM 0 H VAL A 49 63.866 3.984 15.910 1.00 0.00 H new ATOM 0 HA VAL A 49 65.322 2.475 14.217 1.00 0.00 H new ATOM 0 HB VAL A 49 66.078 5.370 14.671 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.050 5.373 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.137 4.109 12.819 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.528 3.671 12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.991 5.995 13.479 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.478 4.291 13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.624 5.180 15.018 1.00 0.00 H new ATOM 762 N ILE A 50 67.232 3.587 16.626 1.00 0.00 N ATOM 763 CA ILE A 50 68.517 3.442 17.251 1.00 0.00 C ATOM 764 C ILE A 50 68.821 1.964 17.378 1.00 0.00 C ATOM 765 O ILE A 50 69.944 1.512 17.148 1.00 0.00 O ATOM 766 CB ILE A 50 68.428 4.122 18.621 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.522 5.183 18.754 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.542 3.104 19.747 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.904 4.553 18.541 1.00 0.00 C ATOM 0 H ILE A 50 66.548 4.102 17.181 1.00 0.00 H new ATOM 0 HA ILE A 50 69.318 3.902 16.672 1.00 0.00 H new ATOM 0 HB ILE A 50 67.453 4.604 18.699 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.360 5.976 18.024 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.473 5.644 19.741 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.476 3.615 20.708 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.733 2.379 19.665 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.500 2.588 19.676 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.672 5.320 18.639 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.069 3.777 19.288 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.954 4.114 17.545 1.00 0.00 H new ATOM 781 N ALA A 51 67.787 1.218 17.726 1.00 0.00 N ATOM 782 CA ALA A 51 67.901 -0.207 17.866 1.00 0.00 C ATOM 783 C ALA A 51 68.095 -0.828 16.490 1.00 0.00 C ATOM 784 O ALA A 51 69.022 -1.607 16.278 1.00 0.00 O ATOM 785 CB ALA A 51 66.641 -0.746 18.538 1.00 0.00 C ATOM 0 H ALA A 51 66.856 1.588 17.916 1.00 0.00 H new ATOM 0 HA ALA A 51 68.760 -0.462 18.486 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.721 -1.828 18.647 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.529 -0.289 19.521 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.771 -0.507 17.926 1.00 0.00 H new ATOM 791 N LEU A 52 67.234 -0.447 15.547 1.00 0.00 N ATOM 792 CA LEU A 52 67.344 -0.950 14.193 1.00 0.00 C ATOM 793 C LEU A 52 68.767 -0.758 13.704 1.00 0.00 C ATOM 794 O LEU A 52 69.318 -1.615 13.015 1.00 0.00 O ATOM 795 CB LEU A 52 66.340 -0.238 13.286 1.00 0.00 C ATOM 796 CG LEU A 52 64.932 -0.796 13.578 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.154 0.200 14.438 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.185 -1.044 12.265 1.00 0.00 C ATOM 0 H LEU A 52 66.462 0.202 15.701 1.00 0.00 H new ATOM 0 HA LEU A 52 67.111 -2.015 14.171 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.365 0.837 13.464 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.599 -0.394 12.239 1.00 0.00 H new ATOM 0 HG LEU A 52 65.025 -1.740 14.115 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.159 -0.196 14.643 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.682 0.359 15.378 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.065 1.148 13.907 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.192 -1.438 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.093 -0.107 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.738 -1.764 11.662 1.00 0.00 H new ATOM 810 N LEU A 53 69.375 0.354 14.101 1.00 0.00 N ATOM 811 CA LEU A 53 70.756 0.614 13.729 1.00 0.00 C ATOM 812 C LEU A 53 71.656 -0.439 14.377 1.00 0.00 C ATOM 813 O LEU A 53 72.725 -0.768 13.863 1.00 0.00 O ATOM 814 CB LEU A 53 71.157 2.012 14.214 1.00 0.00 C ATOM 815 CG LEU A 53 72.118 2.678 13.218 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.341 1.782 13.002 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.406 2.917 11.876 1.00 0.00 C ATOM 0 H LEU A 53 68.940 1.079 14.672 1.00 0.00 H new ATOM 0 HA LEU A 53 70.865 0.566 12.646 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.267 2.629 14.336 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.632 1.940 15.193 1.00 0.00 H new ATOM 0 HG LEU A 53 72.440 3.637 13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 53 74.020 2.258 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.854 1.631 13.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.021 0.819 12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.096 3.390 11.177 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.071 1.964 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.545 3.567 12.032 1.00 0.00 H new ATOM 829 N MET A 54 71.205 -0.951 15.520 1.00 0.00 N ATOM 830 CA MET A 54 71.961 -1.963 16.264 1.00 0.00 C ATOM 831 C MET A 54 72.093 -3.267 15.473 1.00 0.00 C ATOM 832 O MET A 54 73.201 -3.741 15.224 1.00 0.00 O ATOM 833 CB MET A 54 71.256 -2.261 17.596 1.00 0.00 C ATOM 834 CG MET A 54 72.269 -2.805 18.606 1.00 0.00 C ATOM 835 SD MET A 54 73.277 -1.444 19.245 1.00 0.00 S ATOM 836 CE MET A 54 74.304 -2.427 20.364 1.00 0.00 C ATOM 0 H MET A 54 70.321 -0.684 15.953 1.00 0.00 H new ATOM 0 HA MET A 54 72.960 -1.563 16.441 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.793 -1.354 17.984 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.457 -2.986 17.441 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.750 -3.303 19.425 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.906 -3.552 18.132 1.00 0.00 H new ATOM 0 HE1 MET A 54 75.013 -1.775 20.874 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.670 -2.920 21.101 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.848 -3.179 19.792 1.00 0.00 H new ATOM 846 N LEU A 55 70.957 -3.847 15.098 1.00 0.00 N ATOM 847 CA LEU A 55 70.954 -5.106 14.353 1.00 0.00 C ATOM 848 C LEU A 55 71.266 -4.857 12.883 1.00 0.00 C ATOM 849 O LEU A 55 71.535 -5.792 12.131 1.00 0.00 O ATOM 850 CB LEU A 55 69.594 -5.811 14.493 1.00 0.00 C ATOM 851 CG LEU A 55 68.782 -5.155 15.611 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.054 -3.952 15.035 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.753 -6.141 16.180 1.00 0.00 C ATOM 0 H LEU A 55 70.030 -3.470 15.295 1.00 0.00 H new ATOM 0 HA LEU A 55 71.727 -5.752 14.769 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.046 -5.754 13.552 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.743 -6.868 14.712 1.00 0.00 H new ATOM 0 HG LEU A 55 69.454 -4.851 16.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.469 -3.471 15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 55 68.780 -3.243 14.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.390 -4.278 14.235 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.185 -5.656 16.974 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.074 -6.455 15.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.269 -7.013 16.583 1.00 0.00 H new ATOM 865 N ASP A 56 71.254 -3.592 12.487 1.00 0.00 N ATOM 866 CA ASP A 56 71.570 -3.242 11.114 1.00 0.00 C ATOM 867 C ASP A 56 72.944 -3.793 10.814 1.00 0.00 C ATOM 868 O ASP A 56 73.266 -4.142 9.678 1.00 0.00 O ATOM 869 CB ASP A 56 71.562 -1.723 10.926 1.00 0.00 C ATOM 870 CG ASP A 56 72.027 -1.372 9.517 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.304 -0.208 9.278 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.100 -2.273 8.697 1.00 0.00 O ATOM 0 H ASP A 56 71.031 -2.801 13.091 1.00 0.00 H new ATOM 0 HA ASP A 56 70.825 -3.661 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.559 -1.332 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.215 -1.253 11.661 1.00 0.00 H new ATOM 877 N SER A 57 73.737 -3.899 11.873 1.00 0.00 N ATOM 878 CA SER A 57 75.069 -4.447 11.761 1.00 0.00 C ATOM 879 C SER A 57 74.953 -5.939 11.509 1.00 0.00 C ATOM 880 O SER A 57 75.942 -6.598 11.194 1.00 0.00 O ATOM 881 CB SER A 57 75.856 -4.195 13.047 1.00 0.00 C ATOM 882 OG SER A 57 75.194 -4.828 14.134 1.00 0.00 O ATOM 0 H SER A 57 73.475 -3.611 12.816 1.00 0.00 H new ATOM 0 HA SER A 57 75.598 -3.967 10.938 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.870 -4.582 12.948 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.940 -3.124 13.231 1.00 0.00 H new ATOM 0 HG SER A 57 74.447 -4.268 14.433 1.00 0.00 H new ATOM 888 N ALA A 58 73.719 -6.455 11.642 1.00 0.00 N ATOM 889 CA ALA A 58 73.448 -7.883 11.413 1.00 0.00 C ATOM 890 C ALA A 58 74.600 -8.505 10.619 1.00 0.00 C ATOM 891 O ALA A 58 75.647 -8.813 11.188 1.00 0.00 O ATOM 892 CB ALA A 58 72.125 -8.032 10.657 1.00 0.00 C ATOM 0 H ALA A 58 72.899 -5.908 11.905 1.00 0.00 H new ATOM 0 HA ALA A 58 73.367 -8.403 12.367 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.921 -9.089 10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.318 -7.598 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.193 -7.516 9.699 1.00 0.00 H new ATOM 898 N LYS A 59 74.432 -8.648 9.306 1.00 0.00 N ATOM 899 CA LYS A 59 75.510 -9.183 8.475 1.00 0.00 C ATOM 900 C LYS A 59 75.706 -10.691 8.648 1.00 0.00 C ATOM 901 O LYS A 59 76.792 -11.140 9.012 1.00 0.00 O ATOM 902 CB LYS A 59 76.816 -8.454 8.817 1.00 0.00 C ATOM 903 CG LYS A 59 77.732 -8.402 7.586 1.00 0.00 C ATOM 904 CD LYS A 59 78.704 -7.228 7.720 1.00 0.00 C ATOM 905 CE LYS A 59 79.712 -7.521 8.832 1.00 0.00 C ATOM 906 NZ LYS A 59 80.785 -6.487 8.816 1.00 0.00 N ATOM 0 H LYS A 59 73.579 -8.407 8.802 1.00 0.00 H new ATOM 0 HA LYS A 59 75.231 -9.017 7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.597 -7.443 9.160 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.323 -8.965 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.285 -9.336 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 59 77.135 -8.292 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.225 -7.065 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.156 -6.313 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.211 -7.525 9.800 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.145 -8.512 8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.470 -6.686 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.270 -6.504 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.365 -5.548 8.969 1.00 0.00 H new ATOM 920 N GLY A 60 74.672 -11.474 8.350 1.00 0.00 N ATOM 921 CA GLY A 60 74.784 -12.929 8.444 1.00 0.00 C ATOM 922 C GLY A 60 74.149 -13.470 9.715 1.00 0.00 C ATOM 923 O GLY A 60 74.156 -14.679 9.950 1.00 0.00 O ATOM 0 H GLY A 60 73.760 -11.133 8.046 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.306 -13.386 7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.836 -13.214 8.415 1.00 0.00 H new ATOM 927 N ARG A 61 73.590 -12.587 10.528 1.00 0.00 N ATOM 928 CA ARG A 61 72.949 -13.017 11.756 1.00 0.00 C ATOM 929 C ARG A 61 71.518 -13.416 11.464 1.00 0.00 C ATOM 930 O ARG A 61 71.079 -13.392 10.315 1.00 0.00 O ATOM 931 CB ARG A 61 72.965 -11.884 12.784 1.00 0.00 C ATOM 932 CG ARG A 61 74.321 -11.187 12.742 1.00 0.00 C ATOM 933 CD ARG A 61 75.444 -12.211 12.929 1.00 0.00 C ATOM 934 NE ARG A 61 75.143 -13.126 14.036 1.00 0.00 N ATOM 935 CZ ARG A 61 74.801 -12.694 15.248 1.00 0.00 C ATOM 936 NH1 ARG A 61 74.457 -13.553 16.169 1.00 0.00 N ATOM 937 NH2 ARG A 61 74.844 -11.422 15.533 1.00 0.00 N ATOM 0 H ARG A 61 73.568 -11.581 10.361 1.00 0.00 H new ATOM 0 HA ARG A 61 73.493 -13.870 12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.169 -11.171 12.569 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.777 -12.280 13.782 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.444 -10.670 11.790 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.374 -10.430 13.525 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.579 -12.780 12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 61 76.383 -11.694 13.125 1.00 0.00 H new ATOM 0 HE ARG A 61 75.198 -14.131 13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 61 74.451 -14.551 15.959 1.00 0.00 H new ATOM 0 HH12 ARG A 61 74.194 -13.226 17.099 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.141 -10.751 14.825 1.00 0.00 H new ATOM 0 HH22 ARG A 61 74.580 -11.099 16.464 1.00 0.00 H new ATOM 951 N GLN A 62 70.789 -13.757 12.508 1.00 0.00 N ATOM 952 CA GLN A 62 69.396 -14.129 12.358 1.00 0.00 C ATOM 953 C GLN A 62 68.585 -13.288 13.313 1.00 0.00 C ATOM 954 O GLN A 62 68.974 -13.094 14.464 1.00 0.00 O ATOM 955 CB GLN A 62 69.196 -15.614 12.665 1.00 0.00 C ATOM 956 CG GLN A 62 69.430 -15.855 14.155 1.00 0.00 C ATOM 957 CD GLN A 62 69.842 -17.304 14.399 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.977 -17.569 14.794 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.981 -18.261 14.185 1.00 0.00 N ATOM 0 H GLN A 62 71.136 -13.784 13.467 1.00 0.00 H new ATOM 0 HA GLN A 62 69.075 -13.957 11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.188 -15.922 12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.886 -16.216 12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.206 -15.183 14.522 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.522 -15.629 14.714 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.041 -18.038 13.858 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.248 -19.232 14.345 1.00 0.00 H new ATOM 968 N ILE A 63 67.478 -12.765 12.832 1.00 0.00 N ATOM 969 CA ILE A 63 66.649 -11.920 13.648 1.00 0.00 C ATOM 970 C ILE A 63 65.442 -12.667 14.136 1.00 0.00 C ATOM 971 O ILE A 63 64.928 -13.556 13.466 1.00 0.00 O ATOM 972 CB ILE A 63 66.210 -10.721 12.830 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.623 -9.656 13.752 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.156 -11.150 11.808 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.746 -8.764 14.275 1.00 0.00 C ATOM 0 H ILE A 63 67.136 -12.912 11.882 1.00 0.00 H new ATOM 0 HA ILE A 63 67.223 -11.593 14.515 1.00 0.00 H new ATOM 0 HB ILE A 63 67.073 -10.310 12.307 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.889 -9.057 13.213 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.101 -10.128 14.584 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.844 -10.285 11.223 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.579 -11.904 11.144 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.293 -11.567 12.328 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.329 -8.002 14.934 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.464 -9.369 14.829 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.249 -8.282 13.436 1.00 0.00 H new ATOM 987 N GLU A 64 64.992 -12.268 15.301 1.00 0.00 N ATOM 988 CA GLU A 64 63.824 -12.859 15.909 1.00 0.00 C ATOM 989 C GLU A 64 62.733 -11.808 15.923 1.00 0.00 C ATOM 990 O GLU A 64 62.798 -10.847 16.689 1.00 0.00 O ATOM 991 CB GLU A 64 64.156 -13.323 17.335 1.00 0.00 C ATOM 992 CG GLU A 64 63.682 -14.762 17.549 1.00 0.00 C ATOM 993 CD GLU A 64 62.160 -14.830 17.472 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.632 -14.651 16.387 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.545 -15.061 18.500 1.00 0.00 O ATOM 0 H GLU A 64 65.423 -11.527 15.853 1.00 0.00 H new ATOM 0 HA GLU A 64 63.492 -13.731 15.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.231 -13.258 17.505 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.678 -12.664 18.060 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.121 -15.414 16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.021 -15.124 18.519 1.00 0.00 H new ATOM 1002 N VAL A 65 61.747 -11.960 15.055 1.00 0.00 N ATOM 1003 CA VAL A 65 60.690 -10.984 14.990 1.00 0.00 C ATOM 1004 C VAL A 65 59.565 -11.376 15.921 1.00 0.00 C ATOM 1005 O VAL A 65 59.141 -12.525 15.918 1.00 0.00 O ATOM 1006 CB VAL A 65 60.173 -10.899 13.557 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.743 -12.281 13.062 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.987 -9.935 13.519 1.00 0.00 C ATOM 0 H VAL A 65 61.662 -12.737 14.400 1.00 0.00 H new ATOM 0 HA VAL A 65 61.075 -10.012 15.297 1.00 0.00 H new ATOM 0 HB VAL A 65 60.967 -10.536 12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.377 -12.203 12.038 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.595 -12.960 13.092 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.950 -12.666 13.703 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.608 -9.865 12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.198 -10.303 14.175 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.309 -8.949 13.855 1.00 0.00 H new ATOM 1018 N GLU A 66 59.067 -10.434 16.717 1.00 0.00 N ATOM 1019 CA GLU A 66 57.968 -10.762 17.610 1.00 0.00 C ATOM 1020 C GLU A 66 56.957 -9.629 17.654 1.00 0.00 C ATOM 1021 O GLU A 66 57.281 -8.526 18.084 1.00 0.00 O ATOM 1022 CB GLU A 66 58.465 -11.051 19.026 1.00 0.00 C ATOM 1023 CG GLU A 66 57.261 -11.093 19.970 1.00 0.00 C ATOM 1024 CD GLU A 66 57.627 -11.822 21.259 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.766 -13.033 21.212 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.763 -11.158 22.273 1.00 0.00 O ATOM 0 H GLU A 66 59.395 -9.469 16.761 1.00 0.00 H new ATOM 0 HA GLU A 66 57.491 -11.660 17.218 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.999 -12.001 19.052 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.168 -10.281 19.344 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.933 -10.079 20.198 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.426 -11.597 19.483 1.00 0.00 H new ATOM 1033 N ALA A 67 55.724 -9.899 17.227 1.00 0.00 N ATOM 1034 CA ALA A 67 54.698 -8.865 17.250 1.00 0.00 C ATOM 1035 C ALA A 67 53.585 -9.257 18.204 1.00 0.00 C ATOM 1036 O ALA A 67 53.377 -10.440 18.468 1.00 0.00 O ATOM 1037 CB ALA A 67 54.166 -8.626 15.839 1.00 0.00 C ATOM 0 H ALA A 67 55.418 -10.804 16.869 1.00 0.00 H new ATOM 0 HA ALA A 67 55.132 -7.932 17.608 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.399 -7.852 15.866 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.983 -8.306 15.192 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.736 -9.549 15.451 1.00 0.00 H new ATOM 1043 N THR A 68 52.895 -8.261 18.761 1.00 0.00 N ATOM 1044 CA THR A 68 51.842 -8.548 19.720 1.00 0.00 C ATOM 1045 C THR A 68 50.738 -7.487 19.707 1.00 0.00 C ATOM 1046 O THR A 68 50.900 -6.400 20.263 1.00 0.00 O ATOM 1047 CB THR A 68 52.449 -8.604 21.119 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.487 -9.572 21.149 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.366 -8.973 22.126 1.00 0.00 C ATOM 0 H THR A 68 53.045 -7.271 18.567 1.00 0.00 H new ATOM 0 HA THR A 68 51.393 -9.502 19.443 1.00 0.00 H new ATOM 0 HB THR A 68 52.863 -7.629 21.377 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.768 -9.721 22.076 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.798 -9.014 23.126 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.576 -8.223 22.102 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.949 -9.947 21.871 1.00 0.00 H new ATOM 1057 N GLY A 69 49.612 -7.826 19.094 1.00 0.00 N ATOM 1058 CA GLY A 69 48.465 -6.924 19.033 1.00 0.00 C ATOM 1059 C GLY A 69 47.449 -7.408 18.000 1.00 0.00 C ATOM 1060 O GLY A 69 47.682 -8.378 17.290 1.00 0.00 O ATOM 0 H GLY A 69 49.466 -8.722 18.630 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.993 -6.862 20.013 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.800 -5.919 18.777 1.00 0.00 H new ATOM 1064 N PRO A 70 46.330 -6.760 17.907 1.00 0.00 N ATOM 1065 CA PRO A 70 45.260 -7.136 16.944 1.00 0.00 C ATOM 1066 C PRO A 70 45.789 -7.667 15.614 1.00 0.00 C ATOM 1067 O PRO A 70 45.388 -8.742 15.169 1.00 0.00 O ATOM 1068 CB PRO A 70 44.521 -5.822 16.760 1.00 0.00 C ATOM 1069 CG PRO A 70 44.576 -5.192 18.111 1.00 0.00 C ATOM 1070 CD PRO A 70 45.935 -5.587 18.708 1.00 0.00 C ATOM 0 HA PRO A 70 44.643 -7.956 17.312 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.999 -5.196 16.007 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.493 -5.983 16.435 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.481 -4.108 18.040 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.757 -5.543 18.739 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.662 -4.779 18.623 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.853 -5.832 19.767 1.00 0.00 H new ATOM 1078 N GLN A 71 46.665 -6.901 14.970 1.00 0.00 N ATOM 1079 CA GLN A 71 47.205 -7.318 13.662 1.00 0.00 C ATOM 1080 C GLN A 71 48.732 -7.486 13.678 1.00 0.00 C ATOM 1081 O GLN A 71 49.420 -7.080 12.742 1.00 0.00 O ATOM 1082 CB GLN A 71 46.803 -6.292 12.591 1.00 0.00 C ATOM 1083 CG GLN A 71 45.367 -6.564 12.094 1.00 0.00 C ATOM 1084 CD GLN A 71 44.428 -5.446 12.541 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.617 -4.868 13.695 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 43.496 -5.091 11.819 1.00 0.00 N flip ATOM 0 H GLN A 71 47.015 -6.007 15.315 1.00 0.00 H new ATOM 0 HA GLN A 71 46.780 -8.294 13.430 1.00 0.00 H new ATOM 0 HB2 GLN A 71 46.867 -5.284 13.002 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.499 -6.340 11.754 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.360 -6.640 11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.016 -7.520 12.483 1.00 0.00 H new ATOM 0 HE21 GLN A 71 43.349 -5.543 10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 71 42.871 -4.344 12.123 1.00 0.00 H new ATOM 1095 N GLU A 72 49.250 -8.105 14.729 1.00 0.00 N ATOM 1096 CA GLU A 72 50.688 -8.344 14.850 1.00 0.00 C ATOM 1097 C GLU A 72 51.197 -9.241 13.737 1.00 0.00 C ATOM 1098 O GLU A 72 52.356 -9.146 13.340 1.00 0.00 O ATOM 1099 CB GLU A 72 50.983 -8.993 16.211 1.00 0.00 C ATOM 1100 CG GLU A 72 49.776 -9.816 16.648 1.00 0.00 C ATOM 1101 CD GLU A 72 50.181 -10.863 17.675 1.00 0.00 C ATOM 1102 OE1 GLU A 72 49.300 -11.387 18.335 1.00 0.00 O ATOM 1103 OE2 GLU A 72 51.363 -11.122 17.789 1.00 0.00 O ATOM 0 H GLU A 72 48.698 -8.453 15.513 1.00 0.00 H new ATOM 0 HA GLU A 72 51.202 -7.386 14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.865 -9.629 16.140 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.202 -8.225 16.953 1.00 0.00 H new ATOM 0 HG2 GLU A 72 49.016 -9.159 17.071 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.329 -10.303 15.781 1.00 0.00 H new ATOM 1110 N GLU A 73 50.340 -10.105 13.236 1.00 0.00 N ATOM 1111 CA GLU A 73 50.746 -11.003 12.170 1.00 0.00 C ATOM 1112 C GLU A 73 51.082 -10.207 10.916 1.00 0.00 C ATOM 1113 O GLU A 73 52.219 -10.215 10.455 1.00 0.00 O ATOM 1114 CB GLU A 73 49.627 -12.007 11.873 1.00 0.00 C ATOM 1115 CG GLU A 73 49.417 -12.925 13.091 1.00 0.00 C ATOM 1116 CD GLU A 73 49.503 -14.391 12.671 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.457 -14.738 11.995 1.00 0.00 O ATOM 1118 OE2 GLU A 73 48.613 -15.143 13.032 1.00 0.00 O ATOM 0 H GLU A 73 49.372 -10.206 13.542 1.00 0.00 H new ATOM 0 HA GLU A 73 51.634 -11.550 12.488 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.703 -11.478 11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.883 -12.602 10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.170 -12.712 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.445 -12.725 13.542 1.00 0.00 H new ATOM 1125 N GLU A 74 50.092 -9.503 10.382 1.00 0.00 N ATOM 1126 CA GLU A 74 50.301 -8.691 9.188 1.00 0.00 C ATOM 1127 C GLU A 74 51.557 -7.836 9.340 1.00 0.00 C ATOM 1128 O GLU A 74 52.325 -7.655 8.397 1.00 0.00 O ATOM 1129 CB GLU A 74 49.088 -7.780 8.974 1.00 0.00 C ATOM 1130 CG GLU A 74 47.820 -8.501 9.428 1.00 0.00 C ATOM 1131 CD GLU A 74 46.587 -7.800 8.869 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.491 -8.195 9.228 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.757 -6.877 8.089 1.00 0.00 O ATOM 0 H GLU A 74 49.142 -9.477 10.753 1.00 0.00 H new ATOM 0 HA GLU A 74 50.425 -9.351 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.213 -6.854 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.006 -7.507 7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.842 -9.537 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.774 -8.520 10.517 1.00 0.00 H new ATOM 1140 N ALA A 75 51.736 -7.309 10.541 1.00 0.00 N ATOM 1141 CA ALA A 75 52.881 -6.451 10.854 1.00 0.00 C ATOM 1142 C ALA A 75 54.180 -7.232 10.816 1.00 0.00 C ATOM 1143 O ALA A 75 55.073 -6.907 10.044 1.00 0.00 O ATOM 1144 CB ALA A 75 52.683 -5.813 12.246 1.00 0.00 C ATOM 0 H ALA A 75 51.100 -7.459 11.325 1.00 0.00 H new ATOM 0 HA ALA A 75 52.942 -5.667 10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.535 -5.175 12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.771 -5.215 12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.602 -6.598 12.998 1.00 0.00 H new ATOM 1150 N LEU A 76 54.268 -8.262 11.634 1.00 0.00 N ATOM 1151 CA LEU A 76 55.457 -9.097 11.682 1.00 0.00 C ATOM 1152 C LEU A 76 55.593 -9.863 10.373 1.00 0.00 C ATOM 1153 O LEU A 76 56.696 -10.161 9.918 1.00 0.00 O ATOM 1154 CB LEU A 76 55.312 -10.053 12.870 1.00 0.00 C ATOM 1155 CG LEU A 76 56.005 -11.397 12.596 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.253 -12.128 13.928 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.124 -12.274 11.681 1.00 0.00 C ATOM 0 H LEU A 76 53.529 -8.543 12.278 1.00 0.00 H new ATOM 0 HA LEU A 76 56.356 -8.494 11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.741 -9.596 13.761 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.255 -10.222 13.076 1.00 0.00 H new ATOM 0 HG LEU A 76 56.956 -11.211 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.745 -13.081 13.734 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.889 -11.515 14.566 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.301 -12.306 14.428 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.626 -13.223 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.166 -12.459 12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.957 -11.759 10.735 1.00 0.00 H new ATOM 1169 N ALA A 77 54.451 -10.165 9.779 1.00 0.00 N ATOM 1170 CA ALA A 77 54.403 -10.891 8.518 1.00 0.00 C ATOM 1171 C ALA A 77 54.716 -9.960 7.349 1.00 0.00 C ATOM 1172 O ALA A 77 55.079 -10.411 6.262 1.00 0.00 O ATOM 1173 CB ALA A 77 52.997 -11.463 8.339 1.00 0.00 C ATOM 0 H ALA A 77 53.535 -9.916 10.153 1.00 0.00 H new ATOM 0 HA ALA A 77 55.145 -11.690 8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.944 -12.011 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.771 -12.138 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.272 -10.649 8.327 1.00 0.00 H new ATOM 1179 N ALA A 78 54.573 -8.660 7.584 1.00 0.00 N ATOM 1180 CA ALA A 78 54.841 -7.670 6.547 1.00 0.00 C ATOM 1181 C ALA A 78 56.329 -7.361 6.511 1.00 0.00 C ATOM 1182 O ALA A 78 56.894 -7.056 5.458 1.00 0.00 O ATOM 1183 CB ALA A 78 54.040 -6.390 6.816 1.00 0.00 C ATOM 0 H ALA A 78 54.275 -8.269 8.478 1.00 0.00 H new ATOM 0 HA ALA A 78 54.535 -8.072 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.249 -5.659 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 78 52.975 -6.622 6.821 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.326 -5.978 7.784 1.00 0.00 H new ATOM 1189 N VAL A 79 56.968 -7.487 7.667 1.00 0.00 N ATOM 1190 CA VAL A 79 58.395 -7.260 7.759 1.00 0.00 C ATOM 1191 C VAL A 79 59.087 -8.435 7.109 1.00 0.00 C ATOM 1192 O VAL A 79 59.999 -8.287 6.307 1.00 0.00 O ATOM 1193 CB VAL A 79 58.831 -7.166 9.229 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.615 -6.991 10.121 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.555 -8.448 9.632 1.00 0.00 C ATOM 0 H VAL A 79 56.519 -7.744 8.546 1.00 0.00 H new ATOM 0 HA VAL A 79 58.656 -6.325 7.263 1.00 0.00 H new ATOM 0 HB VAL A 79 59.496 -6.310 9.344 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.933 -6.925 11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.089 -6.077 9.844 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.948 -7.845 9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.863 -8.379 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.885 -9.299 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.434 -8.583 9.002 1.00 0.00 H new ATOM 1205 N ILE A 80 58.623 -9.611 7.491 1.00 0.00 N ATOM 1206 CA ILE A 80 59.157 -10.842 6.984 1.00 0.00 C ATOM 1207 C ILE A 80 59.203 -10.789 5.494 1.00 0.00 C ATOM 1208 O ILE A 80 60.267 -10.834 4.904 1.00 0.00 O ATOM 1209 CB ILE A 80 58.275 -11.964 7.494 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.646 -12.170 8.969 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.481 -13.242 6.670 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.317 -13.522 9.173 1.00 0.00 C ATOM 0 H ILE A 80 57.864 -9.729 8.163 1.00 0.00 H new ATOM 0 HA ILE A 80 60.178 -11.012 7.326 1.00 0.00 H new ATOM 0 HB ILE A 80 57.218 -11.714 7.397 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.315 -11.374 9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.750 -12.106 9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.837 -14.032 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.231 -13.047 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.522 -13.556 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.571 -13.647 10.226 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.636 -14.316 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.225 -13.572 8.572 1.00 0.00 H new ATOM 1224 N ALA A 81 58.063 -10.632 4.879 1.00 0.00 N ATOM 1225 CA ALA A 81 58.060 -10.519 3.444 1.00 0.00 C ATOM 1226 C ALA A 81 59.120 -9.517 3.048 1.00 0.00 C ATOM 1227 O ALA A 81 59.638 -9.546 1.932 1.00 0.00 O ATOM 1228 CB ALA A 81 56.713 -10.034 2.955 1.00 0.00 C ATOM 0 H ALA A 81 57.150 -10.580 5.330 1.00 0.00 H new ATOM 0 HA ALA A 81 58.261 -11.494 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 81 56.728 -9.954 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 81 55.940 -10.741 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.499 -9.057 3.388 1.00 0.00 H new ATOM 1234 N LEU A 82 59.453 -8.633 3.989 1.00 0.00 N ATOM 1235 CA LEU A 82 60.458 -7.645 3.748 1.00 0.00 C ATOM 1236 C LEU A 82 61.792 -8.188 4.221 1.00 0.00 C ATOM 1237 O LEU A 82 62.788 -8.141 3.499 1.00 0.00 O ATOM 1238 CB LEU A 82 60.042 -6.389 4.494 1.00 0.00 C ATOM 1239 CG LEU A 82 59.422 -5.366 3.525 1.00 0.00 C ATOM 1240 CD1 LEU A 82 58.551 -6.081 2.469 1.00 0.00 C ATOM 1241 CD2 LEU A 82 58.543 -4.396 4.324 1.00 0.00 C ATOM 0 H LEU A 82 59.032 -8.596 4.917 1.00 0.00 H new ATOM 0 HA LEU A 82 60.563 -7.403 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.323 -6.643 5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 82 60.908 -5.950 4.990 1.00 0.00 H new ATOM 0 HG LEU A 82 60.222 -4.827 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 82 58.120 -5.343 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 82 59.167 -6.778 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 82 57.750 -6.627 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 82 58.098 -3.666 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 82 57.753 -4.952 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.152 -3.879 5.065 1.00 0.00 H new ATOM 1253 N PHE A 83 61.788 -8.755 5.419 1.00 0.00 N ATOM 1254 CA PHE A 83 62.987 -9.361 5.946 1.00 0.00 C ATOM 1255 C PHE A 83 63.369 -10.492 5.012 1.00 0.00 C ATOM 1256 O PHE A 83 64.544 -10.771 4.774 1.00 0.00 O ATOM 1257 CB PHE A 83 62.758 -9.889 7.355 1.00 0.00 C ATOM 1258 CG PHE A 83 62.860 -8.777 8.372 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.686 -7.429 8.006 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.145 -9.107 9.697 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.803 -6.429 8.975 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.257 -8.107 10.659 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.088 -6.774 10.300 1.00 0.00 C ATOM 0 H PHE A 83 60.975 -8.805 6.033 1.00 0.00 H new ATOM 0 HA PHE A 83 63.787 -8.623 6.007 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.775 -10.355 7.417 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.492 -10.662 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.463 -7.169 6.982 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.279 -10.141 9.977 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.674 -5.392 8.701 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.475 -8.366 11.684 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.177 -6.001 11.049 1.00 0.00 H new ATOM 1273 N ASN A 84 62.333 -11.096 4.451 1.00 0.00 N ATOM 1274 CA ASN A 84 62.480 -12.164 3.489 1.00 0.00 C ATOM 1275 C ASN A 84 62.823 -11.533 2.168 1.00 0.00 C ATOM 1276 O ASN A 84 63.331 -12.165 1.241 1.00 0.00 O ATOM 1277 CB ASN A 84 61.154 -12.921 3.371 1.00 0.00 C ATOM 1278 CG ASN A 84 61.400 -14.410 3.153 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.065 -14.797 2.192 1.00 0.00 O ATOM 1280 ND2 ASN A 84 60.899 -15.272 3.994 1.00 0.00 N ATOM 0 H ASN A 84 61.363 -10.854 4.655 1.00 0.00 H new ATOM 0 HA ASN A 84 63.258 -12.863 3.794 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.564 -12.774 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 84 60.572 -12.518 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.058 -16.270 3.856 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.349 -14.948 4.789 1.00 0.00 H new ATOM 1287 N SER A 85 62.522 -10.259 2.128 1.00 0.00 N ATOM 1288 CA SER A 85 62.767 -9.441 0.946 1.00 0.00 C ATOM 1289 C SER A 85 62.247 -10.141 -0.306 1.00 0.00 C ATOM 1290 O SER A 85 62.551 -9.675 -1.392 1.00 0.00 O ATOM 1291 CB SER A 85 64.264 -9.173 0.798 1.00 0.00 C ATOM 1292 OG SER A 85 64.974 -10.400 0.904 1.00 0.00 O ATOM 1293 OXT SER A 85 61.552 -11.133 -0.161 1.00 0.00 O ATOM 0 H SER A 85 62.101 -9.752 2.907 1.00 0.00 H new ATOM 0 HA SER A 85 62.239 -8.495 1.066 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.468 -8.704 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.599 -8.478 1.568 1.00 0.00 H new ATOM 0 HG SER A 85 64.469 -11.110 0.455 1.00 0.00 H new