USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=13 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 19:sc= 0.84 USER MOD Single : A 4 LYS NZ :NH3+ 139:sc= -0.712 (180deg=-2.47!) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.43 F(o=-3.8!,f=-1.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 21 MET CE :methyl 149:sc= -0.296 (180deg=-1.64!) USER MOD Single : A 22 LYS NZ :NH3+ 143:sc= -0.272 (180deg=-1.4!) USER MOD Single : A 27 MET CE :methyl -147:sc= -0.122 (180deg=-1.22) USER MOD Single : A 28 GLN : amide:sc= -4.02! C(o=-4!,f=-5.4!) USER MOD Single : A 38 ASN : amide:sc= -4.14! C(o=-4.1!,f=-10!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.69) 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 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.91 K(o=-1.9,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.67 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0896 F(o=-0.77,f=-0.09) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.089) USER MOD Single : A 85 SER OG : rot -24:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.745 -13.072 19.770 1.00 0.00 N ATOM 21 CA THR A 2 51.160 -12.724 19.694 1.00 0.00 C ATOM 22 C THR A 2 51.845 -13.509 18.586 1.00 0.00 C ATOM 23 O THR A 2 51.513 -14.669 18.343 1.00 0.00 O ATOM 24 CB THR A 2 51.859 -13.047 21.022 1.00 0.00 C ATOM 25 OG1 THR A 2 50.884 -13.355 22.008 1.00 0.00 O ATOM 26 CG2 THR A 2 52.687 -11.844 21.477 1.00 0.00 C ATOM 0 HA THR A 2 51.231 -11.657 19.485 1.00 0.00 H new ATOM 0 HB THR A 2 52.518 -13.904 20.883 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.039 -13.589 21.570 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.181 -12.078 22.420 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.438 -11.612 20.722 1.00 0.00 H new ATOM 0 HG23 THR A 2 52.033 -10.983 21.614 1.00 0.00 H new ATOM 34 N VAL A 3 52.830 -12.893 17.941 1.00 0.00 N ATOM 35 CA VAL A 3 53.567 -13.561 16.912 1.00 0.00 C ATOM 36 C VAL A 3 55.000 -13.185 17.028 1.00 0.00 C ATOM 37 O VAL A 3 55.350 -12.019 17.194 1.00 0.00 O ATOM 38 CB VAL A 3 53.077 -13.189 15.546 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.917 -14.094 15.190 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.642 -11.723 15.535 1.00 0.00 C ATOM 0 H VAL A 3 53.125 -11.934 18.123 1.00 0.00 H new ATOM 0 HA VAL A 3 53.431 -14.635 17.039 1.00 0.00 H new ATOM 0 HB VAL A 3 53.872 -13.313 14.811 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.547 -13.837 14.197 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.250 -15.132 15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.118 -13.965 15.920 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.286 -11.456 14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.840 -11.576 16.258 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.489 -11.090 15.799 1.00 0.00 H new ATOM 50 N LYS A 4 55.813 -14.190 16.964 1.00 0.00 N ATOM 51 CA LYS A 4 57.215 -14.012 17.086 1.00 0.00 C ATOM 52 C LYS A 4 57.956 -15.090 16.351 1.00 0.00 C ATOM 53 O LYS A 4 57.594 -16.266 16.396 1.00 0.00 O ATOM 54 CB LYS A 4 57.612 -13.996 18.540 1.00 0.00 C ATOM 55 CG LYS A 4 57.340 -15.353 19.201 1.00 0.00 C ATOM 56 CD LYS A 4 55.905 -15.862 18.936 1.00 0.00 C ATOM 57 CE LYS A 4 54.844 -14.843 19.404 1.00 0.00 C ATOM 58 NZ LYS A 4 54.761 -14.864 20.891 1.00 0.00 N ATOM 0 H LYS A 4 55.518 -15.157 16.825 1.00 0.00 H new ATOM 0 HA LYS A 4 57.481 -13.054 16.639 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.670 -13.750 18.629 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.059 -13.216 19.063 1.00 0.00 H new ATOM 0 HG2 LYS A 4 58.057 -16.085 18.829 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.500 -15.269 20.276 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.778 -16.056 17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.753 -16.809 19.453 1.00 0.00 H new ATOM 0 HE2 LYS A 4 55.106 -13.843 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 4 53.874 -15.087 18.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.669 -13.891 21.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.933 -15.420 21.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.623 -15.296 21.281 1.00 0.00 H new ATOM 72 N GLN A 5 58.970 -14.664 15.632 1.00 0.00 N ATOM 73 CA GLN A 5 59.741 -15.573 14.824 1.00 0.00 C ATOM 74 C GLN A 5 61.181 -15.113 14.686 1.00 0.00 C ATOM 75 O GLN A 5 61.489 -13.931 14.780 1.00 0.00 O ATOM 76 CB GLN A 5 59.113 -15.630 13.444 1.00 0.00 C ATOM 77 CG GLN A 5 57.589 -15.581 13.567 1.00 0.00 C ATOM 78 CD GLN A 5 56.957 -15.705 12.184 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.721 -15.929 11.148 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.739 -15.595 12.043 1.00 0.00 N flip ATOM 0 H GLN A 5 59.278 -13.692 15.592 1.00 0.00 H new ATOM 0 HA GLN A 5 59.742 -16.552 15.304 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.465 -14.795 12.839 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.417 -16.544 12.933 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.240 -16.389 14.210 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.282 -14.646 14.035 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.145 -15.420 12.854 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.323 -15.679 11.115 1.00 0.00 H new ATOM 89 N THR A 6 62.050 -16.065 14.444 1.00 0.00 N ATOM 90 CA THR A 6 63.447 -15.791 14.259 1.00 0.00 C ATOM 91 C THR A 6 63.783 -15.868 12.777 1.00 0.00 C ATOM 92 O THR A 6 63.805 -16.951 12.193 1.00 0.00 O ATOM 93 CB THR A 6 64.275 -16.805 15.039 1.00 0.00 C ATOM 94 OG1 THR A 6 63.628 -17.098 16.269 1.00 0.00 O ATOM 95 CG2 THR A 6 65.648 -16.217 15.311 1.00 0.00 C ATOM 0 H THR A 6 61.804 -17.052 14.370 1.00 0.00 H new ATOM 0 HA THR A 6 63.677 -14.791 14.626 1.00 0.00 H new ATOM 0 HB THR A 6 64.378 -17.723 14.461 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.159 -17.751 16.770 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.248 -16.936 15.869 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.140 -15.990 14.365 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.543 -15.302 15.894 1.00 0.00 H new ATOM 103 N VAL A 7 64.022 -14.713 12.165 1.00 0.00 N ATOM 104 CA VAL A 7 64.330 -14.679 10.738 1.00 0.00 C ATOM 105 C VAL A 7 65.839 -14.615 10.502 1.00 0.00 C ATOM 106 O VAL A 7 66.499 -13.648 10.878 1.00 0.00 O ATOM 107 CB VAL A 7 63.657 -13.455 10.087 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.329 -13.740 8.611 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.365 -13.112 10.840 1.00 0.00 C ATOM 0 H VAL A 7 64.009 -13.802 12.624 1.00 0.00 H new ATOM 0 HA VAL A 7 63.948 -15.595 10.287 1.00 0.00 H new ATOM 0 HB VAL A 7 64.347 -12.612 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.854 -12.864 8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.248 -13.966 8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.651 -14.591 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.893 -12.246 10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.684 -13.962 10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.599 -12.884 11.880 1.00 0.00 H new ATOM 119 N GLU A 8 66.373 -15.642 9.849 1.00 0.00 N ATOM 120 CA GLU A 8 67.798 -15.677 9.543 1.00 0.00 C ATOM 121 C GLU A 8 68.056 -14.842 8.299 1.00 0.00 C ATOM 122 O GLU A 8 67.465 -15.093 7.248 1.00 0.00 O ATOM 123 CB GLU A 8 68.253 -17.118 9.303 1.00 0.00 C ATOM 124 CG GLU A 8 67.689 -18.021 10.401 1.00 0.00 C ATOM 125 CD GLU A 8 68.228 -19.439 10.237 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.904 -19.683 9.251 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.956 -20.258 11.099 1.00 0.00 O ATOM 0 H GLU A 8 65.847 -16.453 9.524 1.00 0.00 H new ATOM 0 HA GLU A 8 68.359 -15.272 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.913 -17.460 8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.342 -17.171 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 8 67.962 -17.630 11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.600 -18.029 10.353 1.00 0.00 H new ATOM 134 N ILE A 9 68.916 -13.833 8.411 1.00 0.00 N ATOM 135 CA ILE A 9 69.184 -12.979 7.260 1.00 0.00 C ATOM 136 C ILE A 9 70.264 -13.552 6.365 1.00 0.00 C ATOM 137 O ILE A 9 71.138 -14.303 6.798 1.00 0.00 O ATOM 138 CB ILE A 9 69.657 -11.569 7.668 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.773 -11.432 9.197 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.717 -10.513 7.097 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.426 -11.092 9.858 1.00 0.00 C ATOM 0 H ILE A 9 69.426 -13.592 9.261 1.00 0.00 H new ATOM 0 HA ILE A 9 68.232 -12.923 6.732 1.00 0.00 H new ATOM 0 HB ILE A 9 70.652 -11.413 7.252 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.155 -12.363 9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.499 -10.654 9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.061 -9.522 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 9 68.707 -10.585 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.710 -10.676 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.561 -11.006 10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.055 -10.147 9.462 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.706 -11.882 9.644 1.00 0.00 H new ATOM 311 N ALA A 20 62.750 -1.531 7.775 1.00 0.00 N ATOM 312 CA ALA A 20 62.646 -1.594 9.218 1.00 0.00 C ATOM 313 C ALA A 20 61.799 -0.425 9.698 1.00 0.00 C ATOM 314 O ALA A 20 61.122 -0.501 10.721 1.00 0.00 O ATOM 315 CB ALA A 20 64.057 -1.524 9.819 1.00 0.00 C ATOM 0 HA ALA A 20 62.175 -2.525 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.992 -1.571 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.650 -2.363 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.532 -0.589 9.524 1.00 0.00 H new ATOM 321 N MET A 21 61.846 0.654 8.928 1.00 0.00 N ATOM 322 CA MET A 21 61.081 1.849 9.240 1.00 0.00 C ATOM 323 C MET A 21 59.612 1.646 8.882 1.00 0.00 C ATOM 324 O MET A 21 58.730 2.088 9.612 1.00 0.00 O ATOM 325 CB MET A 21 61.641 3.050 8.476 1.00 0.00 C ATOM 326 CG MET A 21 62.938 3.520 9.141 1.00 0.00 C ATOM 327 SD MET A 21 63.324 5.206 8.600 1.00 0.00 S ATOM 328 CE MET A 21 61.934 6.043 9.405 1.00 0.00 C ATOM 0 H MET A 21 62.409 0.724 8.080 1.00 0.00 H new ATOM 0 HA MET A 21 61.160 2.041 10.310 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.830 2.778 7.438 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.911 3.860 8.465 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.834 3.490 10.226 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.756 2.848 8.881 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.230 7.055 9.682 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.089 6.087 8.718 1.00 0.00 H new ATOM 0 HE3 MET A 21 61.646 5.491 10.300 1.00 0.00 H new ATOM 338 N LYS A 22 59.335 0.964 7.768 1.00 0.00 N ATOM 339 CA LYS A 22 57.939 0.729 7.395 1.00 0.00 C ATOM 340 C LYS A 22 57.189 0.278 8.626 1.00 0.00 C ATOM 341 O LYS A 22 56.219 0.901 9.033 1.00 0.00 O ATOM 342 CB LYS A 22 57.816 -0.347 6.316 1.00 0.00 C ATOM 343 CG LYS A 22 58.858 -0.103 5.240 1.00 0.00 C ATOM 344 CD LYS A 22 58.519 1.173 4.466 1.00 0.00 C ATOM 345 CE LYS A 22 59.352 1.231 3.184 1.00 0.00 C ATOM 346 NZ LYS A 22 59.110 0.003 2.375 1.00 0.00 N ATOM 0 H LYS A 22 60.030 0.577 7.129 1.00 0.00 H new ATOM 0 HA LYS A 22 57.525 1.655 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.955 -1.335 6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.817 -0.329 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.846 -0.013 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.896 -0.953 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.457 1.192 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.720 2.049 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.088 2.117 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 22 60.411 1.314 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 59.106 0.248 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 59.864 -0.689 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 58.191 -0.408 2.635 1.00 0.00 H new ATOM 360 N LEU A 23 57.689 -0.783 9.245 1.00 0.00 N ATOM 361 CA LEU A 23 57.101 -1.303 10.468 1.00 0.00 C ATOM 362 C LEU A 23 56.543 -0.161 11.298 1.00 0.00 C ATOM 363 O LEU A 23 55.451 -0.243 11.851 1.00 0.00 O ATOM 364 CB LEU A 23 58.220 -1.947 11.272 1.00 0.00 C ATOM 365 CG LEU A 23 58.262 -3.455 11.075 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.939 -3.792 9.735 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.070 -4.036 12.229 1.00 0.00 C ATOM 0 H LEU A 23 58.504 -1.301 8.917 1.00 0.00 H new ATOM 0 HA LEU A 23 56.306 -2.009 10.228 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.176 -1.515 10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.083 -1.722 12.330 1.00 0.00 H new ATOM 0 HG LEU A 23 57.255 -3.872 11.058 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.965 -4.874 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.376 -3.340 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.957 -3.402 9.733 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.125 -5.120 12.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.077 -3.619 12.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.587 -3.786 13.174 1.00 0.00 H new ATOM 379 N PHE A 24 57.337 0.891 11.384 1.00 0.00 N ATOM 380 CA PHE A 24 56.982 2.064 12.157 1.00 0.00 C ATOM 381 C PHE A 24 55.847 2.844 11.480 1.00 0.00 C ATOM 382 O PHE A 24 54.747 2.983 12.026 1.00 0.00 O ATOM 383 CB PHE A 24 58.215 2.958 12.267 1.00 0.00 C ATOM 384 CG PHE A 24 59.367 2.250 12.974 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.132 2.968 13.896 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.700 0.907 12.698 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.214 2.369 14.541 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.785 0.308 13.352 1.00 0.00 C ATOM 389 CZ PHE A 24 61.542 1.041 14.271 1.00 0.00 C ATOM 0 H PHE A 24 58.243 0.955 10.921 1.00 0.00 H new ATOM 0 HA PHE A 24 56.640 1.753 13.144 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.533 3.263 11.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.958 3.867 12.811 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.883 3.997 14.112 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.120 0.342 11.984 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.799 2.935 15.251 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.037 -0.722 13.146 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.380 0.579 14.771 1.00 0.00 H new ATOM 399 N GLU A 25 56.112 3.333 10.275 1.00 0.00 N ATOM 400 CA GLU A 25 55.099 4.076 9.530 1.00 0.00 C ATOM 401 C GLU A 25 53.963 3.136 9.172 1.00 0.00 C ATOM 402 O GLU A 25 52.816 3.548 9.001 1.00 0.00 O ATOM 403 CB GLU A 25 55.706 4.674 8.257 1.00 0.00 C ATOM 404 CG GLU A 25 56.484 5.945 8.607 1.00 0.00 C ATOM 405 CD GLU A 25 55.517 7.095 8.867 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.983 8.210 9.034 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.323 6.843 8.896 1.00 0.00 O ATOM 0 H GLU A 25 57.007 3.232 9.796 1.00 0.00 H new ATOM 0 HA GLU A 25 54.722 4.892 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.368 3.949 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.918 4.904 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.101 5.772 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.159 6.204 7.791 1.00 0.00 H new ATOM 414 N LEU A 26 54.306 1.862 9.091 1.00 0.00 N ATOM 415 CA LEU A 26 53.345 0.824 8.788 1.00 0.00 C ATOM 416 C LEU A 26 52.653 0.419 10.083 1.00 0.00 C ATOM 417 O LEU A 26 51.489 0.026 10.085 1.00 0.00 O ATOM 418 CB LEU A 26 54.076 -0.355 8.126 1.00 0.00 C ATOM 419 CG LEU A 26 53.136 -1.522 7.888 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.876 -2.220 9.219 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.824 -1.026 7.264 1.00 0.00 C ATOM 0 H LEU A 26 55.257 1.522 9.234 1.00 0.00 H new ATOM 0 HA LEU A 26 52.584 1.174 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.507 -0.033 7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.903 -0.675 8.760 1.00 0.00 H new ATOM 0 HG LEU A 26 53.588 -2.230 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.201 -3.062 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.818 -2.582 9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.422 -1.516 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.157 -1.872 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.346 -0.315 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.035 -0.538 6.312 1.00 0.00 H new ATOM 433 N MET A 27 53.363 0.572 11.199 1.00 0.00 N ATOM 434 CA MET A 27 52.777 0.271 12.497 1.00 0.00 C ATOM 435 C MET A 27 51.523 1.110 12.606 1.00 0.00 C ATOM 436 O MET A 27 50.534 0.714 13.219 1.00 0.00 O ATOM 437 CB MET A 27 53.743 0.628 13.646 1.00 0.00 C ATOM 438 CG MET A 27 54.421 -0.633 14.218 1.00 0.00 C ATOM 439 SD MET A 27 54.112 -0.728 16.000 1.00 0.00 S ATOM 440 CE MET A 27 54.870 0.852 16.454 1.00 0.00 C ATOM 0 H MET A 27 54.329 0.897 11.229 1.00 0.00 H new ATOM 0 HA MET A 27 52.563 -0.795 12.578 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.503 1.320 13.283 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.197 1.141 14.438 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.034 -1.524 13.723 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.493 -0.602 14.025 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.319 0.769 17.444 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.640 1.109 15.726 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.108 1.631 16.466 1.00 0.00 H new ATOM 450 N GLN A 28 51.569 2.272 11.958 1.00 0.00 N ATOM 451 CA GLN A 28 50.416 3.153 11.944 1.00 0.00 C ATOM 452 C GLN A 28 49.304 2.442 11.181 1.00 0.00 C ATOM 453 O GLN A 28 48.126 2.776 11.302 1.00 0.00 O ATOM 454 CB GLN A 28 50.796 4.502 11.291 1.00 0.00 C ATOM 455 CG GLN A 28 49.840 4.867 10.145 1.00 0.00 C ATOM 456 CD GLN A 28 48.451 5.173 10.694 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.308 5.517 11.868 1.00 0.00 O ATOM 458 NE2 GLN A 28 47.412 5.067 9.911 1.00 0.00 N ATOM 0 H GLN A 28 52.381 2.617 11.445 1.00 0.00 H new ATOM 0 HA GLN A 28 50.072 3.375 12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.778 5.289 12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.816 4.448 10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.223 5.732 9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.784 4.044 9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 28 47.533 4.782 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 28 46.479 5.269 10.271 1.00 0.00 H new ATOM 467 N GLY A 29 49.706 1.429 10.413 1.00 0.00 N ATOM 468 CA GLY A 29 48.755 0.632 9.639 1.00 0.00 C ATOM 469 C GLY A 29 48.230 -0.526 10.479 1.00 0.00 C ATOM 470 O GLY A 29 47.021 -0.740 10.577 1.00 0.00 O ATOM 0 H GLY A 29 50.679 1.142 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.925 1.259 9.313 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.238 0.249 8.740 1.00 0.00 H new ATOM 474 N PHE A 30 49.149 -1.255 11.107 1.00 0.00 N ATOM 475 CA PHE A 30 48.776 -2.375 11.967 1.00 0.00 C ATOM 476 C PHE A 30 48.982 -1.991 13.419 1.00 0.00 C ATOM 477 O PHE A 30 50.002 -1.402 13.771 1.00 0.00 O ATOM 478 CB PHE A 30 49.630 -3.611 11.692 1.00 0.00 C ATOM 479 CG PHE A 30 49.735 -3.894 10.217 1.00 0.00 C ATOM 480 CD1 PHE A 30 50.973 -4.221 9.698 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.617 -3.859 9.382 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.130 -4.513 8.347 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.765 -4.147 8.020 1.00 0.00 C ATOM 484 CZ PHE A 30 50.027 -4.475 7.502 1.00 0.00 C ATOM 0 H PHE A 30 50.153 -1.091 11.037 1.00 0.00 H new ATOM 0 HA PHE A 30 47.731 -2.607 11.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.627 -3.465 12.107 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.197 -4.473 12.199 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.832 -4.250 10.351 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.645 -3.612 9.784 1.00 0.00 H new ATOM 0 HE1 PHE A 30 52.104 -4.768 7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.906 -4.117 7.366 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.141 -4.697 6.451 1.00 0.00 H new ATOM 494 N ASP A 31 48.048 -2.372 14.272 1.00 0.00 N ATOM 495 CA ASP A 31 48.193 -2.101 15.678 1.00 0.00 C ATOM 496 C ASP A 31 48.882 -3.298 16.263 1.00 0.00 C ATOM 497 O ASP A 31 48.267 -4.345 16.460 1.00 0.00 O ATOM 498 CB ASP A 31 46.833 -1.883 16.335 1.00 0.00 C ATOM 499 CG ASP A 31 47.011 -1.583 17.820 1.00 0.00 C ATOM 500 OD1 ASP A 31 48.132 -1.310 18.219 1.00 0.00 O ATOM 501 OD2 ASP A 31 46.025 -1.631 18.536 1.00 0.00 O ATOM 0 H ASP A 31 47.193 -2.864 14.013 1.00 0.00 H new ATOM 0 HA ASP A 31 48.768 -1.190 15.847 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.314 -1.057 15.849 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.212 -2.770 16.207 1.00 0.00 H new ATOM 506 N ALA A 32 50.173 -3.169 16.484 1.00 0.00 N ATOM 507 CA ALA A 32 50.926 -4.267 16.979 1.00 0.00 C ATOM 508 C ALA A 32 52.304 -3.810 17.357 1.00 0.00 C ATOM 509 O ALA A 32 52.858 -2.887 16.766 1.00 0.00 O ATOM 510 CB ALA A 32 51.007 -5.338 15.911 1.00 0.00 C ATOM 0 H ALA A 32 50.707 -2.314 16.325 1.00 0.00 H new ATOM 0 HA ALA A 32 50.438 -4.676 17.864 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.584 -6.183 16.286 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.002 -5.671 15.653 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.493 -4.932 15.024 1.00 0.00 H new ATOM 516 N GLU A 33 52.843 -4.457 18.352 1.00 0.00 N ATOM 517 CA GLU A 33 54.148 -4.130 18.838 1.00 0.00 C ATOM 518 C GLU A 33 55.146 -5.136 18.327 1.00 0.00 C ATOM 519 O GLU A 33 55.392 -6.171 18.944 1.00 0.00 O ATOM 520 CB GLU A 33 54.090 -4.132 20.341 1.00 0.00 C ATOM 521 CG GLU A 33 54.788 -2.890 20.873 1.00 0.00 C ATOM 522 CD GLU A 33 54.968 -2.990 22.383 1.00 0.00 C ATOM 523 OE1 GLU A 33 56.101 -2.915 22.831 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.972 -3.140 23.071 1.00 0.00 O ATOM 0 H GLU A 33 52.388 -5.225 18.846 1.00 0.00 H new ATOM 0 HA GLU A 33 54.464 -3.147 18.487 1.00 0.00 H new ATOM 0 HB2 GLU A 33 53.053 -4.152 20.676 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.569 -5.029 20.734 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.759 -2.776 20.391 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.204 -2.003 20.628 1.00 0.00 H new ATOM 531 N VAL A 34 55.703 -4.811 17.187 1.00 0.00 N ATOM 532 CA VAL A 34 56.673 -5.683 16.549 1.00 0.00 C ATOM 533 C VAL A 34 58.016 -5.551 17.237 1.00 0.00 C ATOM 534 O VAL A 34 58.617 -4.477 17.248 1.00 0.00 O ATOM 535 CB VAL A 34 56.857 -5.329 15.068 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.382 -6.554 14.305 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.534 -4.856 14.459 1.00 0.00 C ATOM 0 H VAL A 34 55.505 -3.950 16.677 1.00 0.00 H new ATOM 0 HA VAL A 34 56.297 -6.703 16.629 1.00 0.00 H new ATOM 0 HB VAL A 34 57.581 -4.518 14.988 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.512 -6.299 13.253 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.340 -6.861 14.725 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.668 -7.372 14.395 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.685 -4.609 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.791 -5.649 14.543 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.183 -3.972 14.992 1.00 0.00 H new ATOM 547 N LEU A 35 58.483 -6.642 17.820 1.00 0.00 N ATOM 548 CA LEU A 35 59.752 -6.623 18.514 1.00 0.00 C ATOM 549 C LEU A 35 60.852 -7.233 17.649 1.00 0.00 C ATOM 550 O LEU A 35 60.745 -8.376 17.214 1.00 0.00 O ATOM 551 CB LEU A 35 59.637 -7.427 19.803 1.00 0.00 C ATOM 552 CG LEU A 35 60.443 -6.777 20.923 1.00 0.00 C ATOM 553 CD1 LEU A 35 60.536 -7.768 22.081 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.852 -6.438 20.420 1.00 0.00 C ATOM 0 H LEU A 35 58.005 -7.543 17.825 1.00 0.00 H new ATOM 0 HA LEU A 35 60.008 -5.587 18.735 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.590 -7.501 20.098 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.993 -8.443 19.636 1.00 0.00 H new ATOM 0 HG LEU A 35 59.958 -5.858 21.250 1.00 0.00 H new ATOM 0 HD11 LEU A 35 61.109 -7.324 22.895 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.534 -8.011 22.433 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.032 -8.678 21.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.423 -5.974 21.224 1.00 0.00 H new ATOM 0 HD22 LEU A 35 62.353 -7.351 20.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.782 -5.748 19.579 1.00 0.00 H new ATOM 566 N LEU A 36 61.903 -6.464 17.409 1.00 0.00 N ATOM 567 CA LEU A 36 63.022 -6.926 16.596 1.00 0.00 C ATOM 568 C LEU A 36 64.265 -7.161 17.451 1.00 0.00 C ATOM 569 O LEU A 36 64.717 -6.259 18.144 1.00 0.00 O ATOM 570 CB LEU A 36 63.337 -5.859 15.563 1.00 0.00 C ATOM 571 CG LEU A 36 62.369 -5.980 14.387 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.922 -5.944 14.893 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.593 -4.810 13.445 1.00 0.00 C ATOM 0 H LEU A 36 62.006 -5.514 17.766 1.00 0.00 H new ATOM 0 HA LEU A 36 62.746 -7.867 16.121 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.257 -4.869 16.012 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.364 -5.969 15.214 1.00 0.00 H new ATOM 0 HG LEU A 36 62.545 -6.923 13.869 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.239 -6.031 14.048 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.756 -6.773 15.580 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.741 -5.002 15.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.907 -4.886 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.413 -3.875 13.976 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.620 -4.828 13.080 1.00 0.00 H new ATOM 585 N ARG A 37 64.823 -8.367 17.392 1.00 0.00 N ATOM 586 CA ARG A 37 66.016 -8.677 18.157 1.00 0.00 C ATOM 587 C ARG A 37 66.898 -9.668 17.427 1.00 0.00 C ATOM 588 O ARG A 37 66.428 -10.433 16.596 1.00 0.00 O ATOM 589 CB ARG A 37 65.627 -9.285 19.499 1.00 0.00 C ATOM 590 CG ARG A 37 64.557 -10.363 19.294 1.00 0.00 C ATOM 591 CD ARG A 37 63.171 -9.819 19.658 1.00 0.00 C ATOM 592 NE ARG A 37 63.208 -9.094 20.932 1.00 0.00 N ATOM 593 CZ ARG A 37 63.793 -9.591 22.022 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.885 -8.858 23.098 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.234 -10.818 22.037 1.00 0.00 N ATOM 0 H ARG A 37 64.468 -9.137 16.825 1.00 0.00 H new ATOM 0 HA ARG A 37 66.565 -7.746 18.300 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.504 -9.718 19.980 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.250 -8.508 20.164 1.00 0.00 H new ATOM 0 HG2 ARG A 37 64.562 -10.696 18.256 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.786 -11.233 19.910 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.818 -9.156 18.868 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.460 -10.642 19.725 1.00 0.00 H new ATOM 0 HE ARG A 37 62.770 -8.175 20.986 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.510 -7.909 23.102 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.332 -9.234 23.934 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.133 -11.406 21.210 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.680 -11.189 22.876 1.00 0.00 H new ATOM 609 N ASN A 38 68.176 -9.678 17.782 1.00 0.00 N ATOM 610 CA ASN A 38 69.114 -10.615 17.183 1.00 0.00 C ATOM 611 C ASN A 38 69.312 -11.804 18.100 1.00 0.00 C ATOM 612 O ASN A 38 69.502 -11.629 19.310 1.00 0.00 O ATOM 613 CB ASN A 38 70.488 -9.997 16.998 1.00 0.00 C ATOM 614 CG ASN A 38 70.466 -8.784 16.104 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.501 -8.537 15.385 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.504 -8.007 16.117 1.00 0.00 N ATOM 0 H ASN A 38 68.584 -9.052 18.477 1.00 0.00 H new ATOM 0 HA ASN A 38 68.693 -10.901 16.219 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.890 -9.718 17.972 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.163 -10.742 16.576 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.527 -7.177 15.525 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.297 -8.226 16.720 1.00 0.00 H new ATOM 623 N ASP A 39 69.330 -12.999 17.522 1.00 0.00 N ATOM 624 CA ASP A 39 69.565 -14.199 18.313 1.00 0.00 C ATOM 625 C ASP A 39 70.877 -14.037 19.067 1.00 0.00 C ATOM 626 O ASP A 39 71.238 -14.858 19.910 1.00 0.00 O ATOM 627 CB ASP A 39 69.632 -15.430 17.408 1.00 0.00 C ATOM 628 CG ASP A 39 70.041 -16.653 18.221 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.232 -16.875 18.363 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.157 -17.351 18.690 1.00 0.00 O ATOM 0 H ASP A 39 69.187 -13.162 16.525 1.00 0.00 H new ATOM 0 HA ASP A 39 68.745 -14.337 19.017 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.662 -15.601 16.941 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.348 -15.262 16.604 1.00 0.00 H new ATOM 635 N GLU A 40 71.576 -12.952 18.748 1.00 0.00 N ATOM 636 CA GLU A 40 72.847 -12.637 19.381 1.00 0.00 C ATOM 637 C GLU A 40 72.607 -12.116 20.786 1.00 0.00 C ATOM 638 O GLU A 40 73.498 -12.133 21.635 1.00 0.00 O ATOM 639 CB GLU A 40 73.548 -11.539 18.577 1.00 0.00 C ATOM 640 CG GLU A 40 74.296 -12.141 17.390 1.00 0.00 C ATOM 641 CD GLU A 40 75.421 -13.050 17.877 1.00 0.00 C ATOM 642 OE1 GLU A 40 76.477 -12.531 18.198 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.209 -14.251 17.921 1.00 0.00 O ATOM 0 H GLU A 40 71.278 -12.272 18.048 1.00 0.00 H new ATOM 0 HA GLU A 40 73.460 -13.538 19.418 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.814 -10.815 18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.245 -10.999 19.218 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.605 -12.709 16.766 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.706 -11.345 16.769 1.00 0.00 H new ATOM 650 N GLY A 41 71.396 -11.628 21.007 1.00 0.00 N ATOM 651 CA GLY A 41 71.026 -11.068 22.294 1.00 0.00 C ATOM 652 C GLY A 41 70.669 -9.599 22.128 1.00 0.00 C ATOM 653 O GLY A 41 70.348 -8.915 23.100 1.00 0.00 O ATOM 0 H GLY A 41 70.653 -11.609 20.309 1.00 0.00 H new ATOM 0 HA2 GLY A 41 70.179 -11.614 22.709 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.850 -11.175 22.999 1.00 0.00 H new ATOM 657 N THR A 42 70.711 -9.117 20.882 1.00 0.00 N ATOM 658 CA THR A 42 70.366 -7.717 20.621 1.00 0.00 C ATOM 659 C THR A 42 68.853 -7.585 20.569 1.00 0.00 C ATOM 660 O THR A 42 68.169 -8.481 20.084 1.00 0.00 O ATOM 661 CB THR A 42 71.012 -7.212 19.311 1.00 0.00 C ATOM 662 OG1 THR A 42 71.965 -6.207 19.626 1.00 0.00 O ATOM 663 CG2 THR A 42 69.955 -6.617 18.361 1.00 0.00 C ATOM 0 H THR A 42 70.973 -9.659 20.058 1.00 0.00 H new ATOM 0 HA THR A 42 70.758 -7.097 21.427 1.00 0.00 H new ATOM 0 HB THR A 42 71.489 -8.056 18.813 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.382 -5.881 18.801 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.440 -6.270 17.448 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.218 -7.381 18.113 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.458 -5.778 18.849 1.00 0.00 H new ATOM 671 N GLU A 43 68.333 -6.475 21.078 1.00 0.00 N ATOM 672 CA GLU A 43 66.889 -6.264 21.088 1.00 0.00 C ATOM 673 C GLU A 43 66.530 -4.904 20.515 1.00 0.00 C ATOM 674 O GLU A 43 67.114 -3.888 20.890 1.00 0.00 O ATOM 675 CB GLU A 43 66.355 -6.369 22.519 1.00 0.00 C ATOM 676 CG GLU A 43 66.880 -7.650 23.171 1.00 0.00 C ATOM 677 CD GLU A 43 66.429 -7.714 24.627 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.177 -6.664 25.195 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.342 -8.812 25.152 1.00 0.00 O ATOM 0 H GLU A 43 68.880 -5.716 21.484 1.00 0.00 H new ATOM 0 HA GLU A 43 66.433 -7.034 20.466 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.667 -5.500 23.099 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.265 -6.373 22.512 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.513 -8.521 22.629 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.968 -7.676 23.117 1.00 0.00 H new ATOM 686 N ALA A 44 65.567 -4.892 19.595 1.00 0.00 N ATOM 687 CA ALA A 44 65.148 -3.650 18.973 1.00 0.00 C ATOM 688 C ALA A 44 63.631 -3.548 18.875 1.00 0.00 C ATOM 689 O ALA A 44 62.977 -4.410 18.290 1.00 0.00 O ATOM 690 CB ALA A 44 65.733 -3.558 17.568 1.00 0.00 C ATOM 0 H ALA A 44 65.070 -5.722 19.270 1.00 0.00 H new ATOM 0 HA ALA A 44 65.510 -2.833 19.597 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.417 -2.624 17.103 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.821 -3.585 17.624 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.380 -4.399 16.971 1.00 0.00 H new ATOM 696 N GLU A 45 63.085 -2.467 19.417 1.00 0.00 N ATOM 697 CA GLU A 45 61.653 -2.232 19.353 1.00 0.00 C ATOM 698 C GLU A 45 61.317 -1.548 18.033 1.00 0.00 C ATOM 699 O GLU A 45 61.776 -0.437 17.773 1.00 0.00 O ATOM 700 CB GLU A 45 61.219 -1.341 20.518 1.00 0.00 C ATOM 701 CG GLU A 45 61.105 -2.179 21.791 1.00 0.00 C ATOM 702 CD GLU A 45 60.701 -1.292 22.965 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.827 -1.742 24.092 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.273 -0.177 22.719 1.00 0.00 O ATOM 0 H GLU A 45 63.612 -1.742 19.904 1.00 0.00 H new ATOM 0 HA GLU A 45 61.126 -3.184 19.419 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.941 -0.538 20.663 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.261 -0.872 20.293 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.368 -2.969 21.651 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.057 -2.665 22.003 1.00 0.00 H new ATOM 711 N ALA A 46 60.541 -2.225 17.193 1.00 0.00 N ATOM 712 CA ALA A 46 60.169 -1.681 15.890 1.00 0.00 C ATOM 713 C ALA A 46 59.586 -0.267 15.980 1.00 0.00 C ATOM 714 O ALA A 46 58.879 0.168 15.071 1.00 0.00 O ATOM 715 CB ALA A 46 59.133 -2.583 15.246 1.00 0.00 C ATOM 0 H ALA A 46 60.158 -3.150 17.390 1.00 0.00 H new ATOM 0 HA ALA A 46 61.081 -1.631 15.296 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.853 -2.179 14.273 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.550 -3.582 15.118 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.251 -2.637 15.884 1.00 0.00 H new ATOM 721 N ASN A 47 59.876 0.451 17.060 1.00 0.00 N ATOM 722 CA ASN A 47 59.366 1.811 17.220 1.00 0.00 C ATOM 723 C ASN A 47 60.520 2.780 17.447 1.00 0.00 C ATOM 724 O ASN A 47 60.318 3.990 17.558 1.00 0.00 O ATOM 725 CB ASN A 47 58.388 1.872 18.395 1.00 0.00 C ATOM 726 CG ASN A 47 58.056 3.324 18.728 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.543 3.860 19.723 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.251 3.994 17.950 1.00 0.00 N ATOM 0 H ASN A 47 60.455 0.120 17.831 1.00 0.00 H new ATOM 0 HA ASN A 47 58.840 2.098 16.310 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.475 1.330 18.147 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.823 1.382 19.266 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.024 4.965 18.166 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.849 3.547 17.126 1.00 0.00 H new ATOM 735 N SER A 48 61.734 2.237 17.504 1.00 0.00 N ATOM 736 CA SER A 48 62.928 3.053 17.704 1.00 0.00 C ATOM 737 C SER A 48 63.956 2.759 16.611 1.00 0.00 C ATOM 738 O SER A 48 64.172 1.604 16.245 1.00 0.00 O ATOM 739 CB SER A 48 63.530 2.756 19.079 1.00 0.00 C ATOM 740 OG SER A 48 63.108 3.753 20.000 1.00 0.00 O ATOM 0 H SER A 48 61.916 1.237 17.415 1.00 0.00 H new ATOM 0 HA SER A 48 62.652 4.106 17.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.215 1.771 19.422 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.618 2.739 19.017 1.00 0.00 H new ATOM 0 HG SER A 48 63.490 3.566 20.883 1.00 0.00 H new ATOM 746 N VAL A 49 64.587 3.808 16.093 1.00 0.00 N ATOM 747 CA VAL A 49 65.590 3.637 15.047 1.00 0.00 C ATOM 748 C VAL A 49 66.872 3.077 15.641 1.00 0.00 C ATOM 749 O VAL A 49 67.545 2.254 15.020 1.00 0.00 O ATOM 750 CB VAL A 49 65.868 4.972 14.362 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.707 4.738 13.104 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.536 5.616 13.975 1.00 0.00 C ATOM 0 H VAL A 49 64.425 4.774 16.376 1.00 0.00 H new ATOM 0 HA VAL A 49 65.209 2.935 14.305 1.00 0.00 H new ATOM 0 HB VAL A 49 66.414 5.628 15.040 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.905 5.692 12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.651 4.268 13.379 1.00 0.00 H new ATOM 0 HG13 VAL A 49 66.163 4.086 12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.723 6.571 13.484 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.998 4.957 13.294 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.937 5.779 14.871 1.00 0.00 H new ATOM 762 N ILE A 50 67.184 3.488 16.866 1.00 0.00 N ATOM 763 CA ILE A 50 68.347 2.988 17.546 1.00 0.00 C ATOM 764 C ILE A 50 68.254 1.475 17.525 1.00 0.00 C ATOM 765 O ILE A 50 69.239 0.761 17.338 1.00 0.00 O ATOM 766 CB ILE A 50 68.310 3.543 18.973 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.614 4.280 19.288 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.071 2.431 19.985 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.777 3.285 19.374 1.00 0.00 C ATOM 0 H ILE A 50 66.640 4.167 17.398 1.00 0.00 H new ATOM 0 HA ILE A 50 69.285 3.290 17.080 1.00 0.00 H new ATOM 0 HB ILE A 50 67.481 4.247 19.044 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.817 5.022 18.515 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.517 4.819 20.230 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.049 2.852 20.990 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.118 1.946 19.774 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.874 1.698 19.916 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.699 3.821 19.598 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.578 2.560 20.163 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.882 2.765 18.422 1.00 0.00 H new ATOM 781 N ALA A 51 67.022 1.023 17.682 1.00 0.00 N ATOM 782 CA ALA A 51 66.700 -0.380 17.651 1.00 0.00 C ATOM 783 C ALA A 51 67.193 -0.968 16.337 1.00 0.00 C ATOM 784 O ALA A 51 68.025 -1.874 16.312 1.00 0.00 O ATOM 785 CB ALA A 51 65.175 -0.516 17.760 1.00 0.00 C ATOM 0 H ALA A 51 66.216 1.629 17.835 1.00 0.00 H new ATOM 0 HA ALA A 51 67.176 -0.913 18.474 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.901 -1.571 17.739 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.836 -0.072 18.696 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.703 -0.002 16.923 1.00 0.00 H new ATOM 791 N LEU A 52 66.680 -0.419 15.247 1.00 0.00 N ATOM 792 CA LEU A 52 67.059 -0.855 13.919 1.00 0.00 C ATOM 793 C LEU A 52 68.540 -0.578 13.677 1.00 0.00 C ATOM 794 O LEU A 52 69.205 -1.306 12.946 1.00 0.00 O ATOM 795 CB LEU A 52 66.217 -0.100 12.886 1.00 0.00 C ATOM 796 CG LEU A 52 64.727 -0.145 13.271 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.951 0.899 12.454 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.147 -1.543 12.996 1.00 0.00 C ATOM 0 H LEU A 52 65.994 0.336 15.261 1.00 0.00 H new ATOM 0 HA LEU A 52 66.884 -1.927 13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.551 0.935 12.822 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.358 -0.542 11.900 1.00 0.00 H new ATOM 0 HG LEU A 52 64.632 0.076 14.334 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.897 0.865 12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.348 1.892 12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.057 0.681 11.391 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.093 -1.560 13.273 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.248 -1.777 11.936 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.689 -2.284 13.584 1.00 0.00 H new ATOM 810 N LEU A 53 69.051 0.476 14.299 1.00 0.00 N ATOM 811 CA LEU A 53 70.457 0.827 14.144 1.00 0.00 C ATOM 812 C LEU A 53 71.329 -0.206 14.854 1.00 0.00 C ATOM 813 O LEU A 53 72.439 -0.511 14.417 1.00 0.00 O ATOM 814 CB LEU A 53 70.709 2.217 14.744 1.00 0.00 C ATOM 815 CG LEU A 53 71.783 2.968 13.941 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.054 2.118 13.853 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.266 3.277 12.526 1.00 0.00 C ATOM 0 H LEU A 53 68.520 1.097 14.909 1.00 0.00 H new ATOM 0 HA LEU A 53 70.710 0.840 13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.782 2.791 14.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.026 2.119 15.782 1.00 0.00 H new ATOM 0 HG LEU A 53 72.011 3.906 14.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.812 2.655 13.283 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.429 1.919 14.857 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.827 1.175 13.356 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.035 3.809 11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.025 2.345 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.372 3.896 12.593 1.00 0.00 H new ATOM 829 N MET A 54 70.810 -0.729 15.958 1.00 0.00 N ATOM 830 CA MET A 54 71.534 -1.721 16.747 1.00 0.00 C ATOM 831 C MET A 54 71.677 -3.043 15.995 1.00 0.00 C ATOM 832 O MET A 54 72.782 -3.567 15.855 1.00 0.00 O ATOM 833 CB MET A 54 70.799 -1.972 18.065 1.00 0.00 C ATOM 834 CG MET A 54 71.713 -2.741 19.021 1.00 0.00 C ATOM 835 SD MET A 54 73.012 -1.638 19.631 1.00 0.00 S ATOM 836 CE MET A 54 73.602 -2.704 20.969 1.00 0.00 C ATOM 0 H MET A 54 69.892 -0.484 16.328 1.00 0.00 H new ATOM 0 HA MET A 54 72.531 -1.326 16.940 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.501 -1.024 18.514 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.886 -2.539 17.882 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.134 -3.136 19.856 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.157 -3.595 18.509 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.422 -2.212 21.492 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.788 -2.894 21.668 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.952 -3.649 20.554 1.00 0.00 H new ATOM 846 N LEU A 55 70.557 -3.591 15.533 1.00 0.00 N ATOM 847 CA LEU A 55 70.586 -4.868 14.822 1.00 0.00 C ATOM 848 C LEU A 55 71.081 -4.698 13.389 1.00 0.00 C ATOM 849 O LEU A 55 71.350 -5.678 12.700 1.00 0.00 O ATOM 850 CB LEU A 55 69.201 -5.527 14.832 1.00 0.00 C ATOM 851 CG LEU A 55 68.131 -4.555 14.327 1.00 0.00 C ATOM 852 CD1 LEU A 55 68.272 -4.354 12.810 1.00 0.00 C ATOM 853 CD2 LEU A 55 66.740 -5.126 14.650 1.00 0.00 C ATOM 0 H LEU A 55 69.630 -3.179 15.635 1.00 0.00 H new ATOM 0 HA LEU A 55 71.287 -5.519 15.345 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.213 -6.419 14.205 1.00 0.00 H new ATOM 0 HB3 LEU A 55 68.955 -5.852 15.843 1.00 0.00 H new ATOM 0 HG LEU A 55 68.256 -3.591 14.820 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.506 -3.661 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 55 69.258 -3.947 12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 55 68.152 -5.312 12.303 1.00 0.00 H new ATOM 0 HD21 LEU A 55 65.973 -4.439 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.620 -6.091 14.158 1.00 0.00 H new ATOM 0 HD23 LEU A 55 66.640 -5.253 15.728 1.00 0.00 H new ATOM 865 N ASP A 56 71.204 -3.454 12.949 1.00 0.00 N ATOM 866 CA ASP A 56 71.677 -3.172 11.601 1.00 0.00 C ATOM 867 C ASP A 56 72.915 -4.001 11.324 1.00 0.00 C ATOM 868 O ASP A 56 73.068 -4.577 10.247 1.00 0.00 O ATOM 869 CB ASP A 56 72.008 -1.685 11.454 1.00 0.00 C ATOM 870 CG ASP A 56 72.427 -1.384 10.019 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.109 -2.210 9.434 1.00 0.00 O ATOM 872 OD2 ASP A 56 72.060 -0.330 9.524 1.00 0.00 O ATOM 0 H ASP A 56 70.984 -2.626 13.503 1.00 0.00 H new ATOM 0 HA ASP A 56 70.894 -3.427 10.886 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.140 -1.082 11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.810 -1.413 12.140 1.00 0.00 H new ATOM 877 N SER A 57 73.789 -4.073 12.320 1.00 0.00 N ATOM 878 CA SER A 57 75.000 -4.855 12.188 1.00 0.00 C ATOM 879 C SER A 57 74.629 -6.305 11.918 1.00 0.00 C ATOM 880 O SER A 57 75.496 -7.142 11.674 1.00 0.00 O ATOM 881 CB SER A 57 75.832 -4.762 13.468 1.00 0.00 C ATOM 882 OG SER A 57 76.024 -3.394 13.804 1.00 0.00 O ATOM 0 H SER A 57 73.679 -3.602 13.218 1.00 0.00 H new ATOM 0 HA SER A 57 75.592 -4.466 11.360 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.327 -5.281 14.282 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.795 -5.252 13.326 1.00 0.00 H new ATOM 0 HG SER A 57 76.555 -3.330 14.625 1.00 0.00 H new ATOM 888 N ALA A 58 73.326 -6.594 11.966 1.00 0.00 N ATOM 889 CA ALA A 58 72.852 -7.961 11.721 1.00 0.00 C ATOM 890 C ALA A 58 73.667 -8.623 10.614 1.00 0.00 C ATOM 891 O ALA A 58 74.664 -9.295 10.876 1.00 0.00 O ATOM 892 CB ALA A 58 71.375 -7.960 11.310 1.00 0.00 C ATOM 0 H ALA A 58 72.592 -5.915 12.168 1.00 0.00 H new ATOM 0 HA ALA A 58 72.971 -8.520 12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.046 -8.984 11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 58 70.776 -7.518 12.106 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.252 -7.377 10.397 1.00 0.00 H new ATOM 898 N LYS A 59 73.222 -8.424 9.377 1.00 0.00 N ATOM 899 CA LYS A 59 73.889 -8.994 8.210 1.00 0.00 C ATOM 900 C LYS A 59 74.535 -10.340 8.530 1.00 0.00 C ATOM 901 O LYS A 59 75.755 -10.437 8.666 1.00 0.00 O ATOM 902 CB LYS A 59 74.949 -8.023 7.677 1.00 0.00 C ATOM 903 CG LYS A 59 75.708 -7.390 8.845 1.00 0.00 C ATOM 904 CD LYS A 59 76.872 -6.548 8.310 1.00 0.00 C ATOM 905 CE LYS A 59 76.348 -5.213 7.775 1.00 0.00 C ATOM 906 NZ LYS A 59 77.495 -4.296 7.522 1.00 0.00 N ATOM 0 H LYS A 59 72.396 -7.868 9.156 1.00 0.00 H new ATOM 0 HA LYS A 59 73.129 -9.158 7.446 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.644 -8.551 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.475 -7.247 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.035 -6.766 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.084 -8.167 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.599 -6.372 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.389 -7.089 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.786 -5.373 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 59 75.662 -4.765 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.140 -3.388 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.013 -4.135 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.133 -4.724 6.821 1.00 0.00 H new ATOM 920 N GLY A 60 73.709 -11.381 8.632 1.00 0.00 N ATOM 921 CA GLY A 60 74.211 -12.726 8.917 1.00 0.00 C ATOM 922 C GLY A 60 73.658 -13.262 10.233 1.00 0.00 C ATOM 923 O GLY A 60 73.498 -14.470 10.404 1.00 0.00 O ATOM 0 H GLY A 60 72.697 -11.321 8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.935 -13.398 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.300 -12.708 8.959 1.00 0.00 H new ATOM 927 N ARG A 61 73.370 -12.358 11.158 1.00 0.00 N ATOM 928 CA ARG A 61 72.840 -12.740 12.453 1.00 0.00 C ATOM 929 C ARG A 61 71.354 -13.020 12.339 1.00 0.00 C ATOM 930 O ARG A 61 70.685 -12.491 11.459 1.00 0.00 O ATOM 931 CB ARG A 61 73.097 -11.611 13.448 1.00 0.00 C ATOM 932 CG ARG A 61 74.580 -11.243 13.378 1.00 0.00 C ATOM 933 CD ARG A 61 74.862 -9.967 14.187 1.00 0.00 C ATOM 934 NE ARG A 61 75.672 -9.029 13.406 1.00 0.00 N ATOM 935 CZ ARG A 61 76.728 -9.426 12.697 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.396 -8.560 11.985 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.110 -10.674 12.726 1.00 0.00 N ATOM 0 H ARG A 61 73.496 -11.354 11.033 1.00 0.00 H new ATOM 0 HA ARG A 61 73.334 -13.646 12.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.479 -10.746 13.210 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.830 -11.925 14.457 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.182 -12.065 13.764 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.874 -11.093 12.339 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.922 -9.495 14.471 1.00 0.00 H new ATOM 0 HD3 ARG A 61 75.382 -10.223 15.110 1.00 0.00 H new ATOM 0 HE ARG A 61 75.420 -8.041 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.109 -7.581 11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.205 -8.862 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.599 -11.351 13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.919 -10.972 12.181 1.00 0.00 H new ATOM 951 N GLN A 62 70.835 -13.855 13.222 1.00 0.00 N ATOM 952 CA GLN A 62 69.419 -14.187 13.174 1.00 0.00 C ATOM 953 C GLN A 62 68.627 -13.248 14.048 1.00 0.00 C ATOM 954 O GLN A 62 69.013 -12.954 15.176 1.00 0.00 O ATOM 955 CB GLN A 62 69.177 -15.626 13.633 1.00 0.00 C ATOM 956 CG GLN A 62 70.301 -16.511 13.113 1.00 0.00 C ATOM 957 CD GLN A 62 69.949 -17.981 13.314 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.825 -18.729 12.344 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.779 -18.442 14.523 1.00 0.00 N ATOM 0 H GLN A 62 71.360 -14.309 13.969 1.00 0.00 H new ATOM 0 HA GLN A 62 69.091 -14.085 12.140 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.136 -15.672 14.721 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.216 -15.982 13.262 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.471 -16.312 12.055 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.229 -16.277 13.635 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.882 -17.820 15.325 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.543 -19.424 14.666 1.00 0.00 H new ATOM 968 N ILE A 63 67.511 -12.786 13.517 1.00 0.00 N ATOM 969 CA ILE A 63 66.659 -11.886 14.250 1.00 0.00 C ATOM 970 C ILE A 63 65.476 -12.641 14.799 1.00 0.00 C ATOM 971 O ILE A 63 65.009 -13.602 14.198 1.00 0.00 O ATOM 972 CB ILE A 63 66.150 -10.788 13.328 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.490 -9.680 14.152 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.112 -11.383 12.373 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.540 -8.663 14.595 1.00 0.00 C ATOM 0 H ILE A 63 67.179 -13.022 12.582 1.00 0.00 H new ATOM 0 HA ILE A 63 67.233 -11.446 15.066 1.00 0.00 H new ATOM 0 HB ILE A 63 66.986 -10.371 12.766 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.719 -9.185 13.561 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.996 -10.109 15.024 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.741 -10.604 11.708 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.573 -12.175 11.783 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.282 -11.795 12.948 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.062 -7.878 15.181 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.295 -9.161 15.203 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.014 -8.223 13.717 1.00 0.00 H new ATOM 987 N GLU A 64 64.987 -12.170 15.922 1.00 0.00 N ATOM 988 CA GLU A 64 63.828 -12.762 16.560 1.00 0.00 C ATOM 989 C GLU A 64 62.724 -11.724 16.531 1.00 0.00 C ATOM 990 O GLU A 64 62.795 -10.706 17.218 1.00 0.00 O ATOM 991 CB GLU A 64 64.174 -13.182 18.000 1.00 0.00 C ATOM 992 CG GLU A 64 64.057 -14.706 18.169 1.00 0.00 C ATOM 993 CD GLU A 64 63.646 -15.046 19.599 1.00 0.00 C ATOM 994 OE1 GLU A 64 64.388 -15.759 20.254 1.00 0.00 O ATOM 995 OE2 GLU A 64 62.595 -14.588 20.017 1.00 0.00 O ATOM 0 H GLU A 64 65.377 -11.370 16.420 1.00 0.00 H new ATOM 0 HA GLU A 64 63.503 -13.662 16.038 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.187 -12.862 18.243 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.505 -12.682 18.700 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.323 -15.102 17.468 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.010 -15.180 17.934 1.00 0.00 H new ATOM 1002 N VAL A 65 61.726 -11.947 15.692 1.00 0.00 N ATOM 1003 CA VAL A 65 60.665 -10.983 15.559 1.00 0.00 C ATOM 1004 C VAL A 65 59.511 -11.304 16.474 1.00 0.00 C ATOM 1005 O VAL A 65 59.088 -12.448 16.545 1.00 0.00 O ATOM 1006 CB VAL A 65 60.172 -10.977 14.110 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.580 -12.338 13.728 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.104 -9.896 13.957 1.00 0.00 C ATOM 0 H VAL A 65 61.635 -12.776 15.104 1.00 0.00 H new ATOM 0 HA VAL A 65 61.056 -10.004 15.835 1.00 0.00 H new ATOM 0 HB VAL A 65 61.015 -10.774 13.450 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.237 -12.308 12.694 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.343 -13.109 13.835 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.739 -12.566 14.383 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.745 -9.882 12.928 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.272 -10.109 14.629 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.531 -8.924 14.205 1.00 0.00 H new ATOM 1018 N GLU A 66 58.971 -10.296 17.150 1.00 0.00 N ATOM 1019 CA GLU A 66 57.815 -10.545 17.992 1.00 0.00 C ATOM 1020 C GLU A 66 56.836 -9.382 17.894 1.00 0.00 C ATOM 1021 O GLU A 66 57.139 -8.279 18.337 1.00 0.00 O ATOM 1022 CB GLU A 66 58.210 -10.753 19.455 1.00 0.00 C ATOM 1023 CG GLU A 66 56.944 -10.719 20.318 1.00 0.00 C ATOM 1024 CD GLU A 66 57.216 -11.358 21.676 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.632 -12.394 21.949 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.005 -10.803 22.423 1.00 0.00 O ATOM 0 H GLU A 66 59.303 -9.332 17.133 1.00 0.00 H new ATOM 0 HA GLU A 66 57.343 -11.460 17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.723 -11.707 19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.904 -9.975 19.773 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.614 -9.689 20.452 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.136 -11.249 19.813 1.00 0.00 H new ATOM 1033 N ALA A 67 55.649 -9.631 17.339 1.00 0.00 N ATOM 1034 CA ALA A 67 54.650 -8.577 17.227 1.00 0.00 C ATOM 1035 C ALA A 67 53.474 -8.904 18.125 1.00 0.00 C ATOM 1036 O ALA A 67 53.211 -10.072 18.407 1.00 0.00 O ATOM 1037 CB ALA A 67 54.210 -8.408 15.771 1.00 0.00 C ATOM 0 H ALA A 67 55.363 -10.537 16.967 1.00 0.00 H new ATOM 0 HA ALA A 67 55.082 -7.629 17.549 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.463 -7.616 15.706 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.072 -8.145 15.159 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.780 -9.342 15.410 1.00 0.00 H new ATOM 1043 N THR A 68 52.794 -7.875 18.616 1.00 0.00 N ATOM 1044 CA THR A 68 51.682 -8.105 19.521 1.00 0.00 C ATOM 1045 C THR A 68 50.638 -6.992 19.454 1.00 0.00 C ATOM 1046 O THR A 68 50.822 -5.914 20.019 1.00 0.00 O ATOM 1047 CB THR A 68 52.216 -8.196 20.946 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.198 -9.219 21.021 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.067 -8.512 21.894 1.00 0.00 C ATOM 0 H THR A 68 52.989 -6.896 18.407 1.00 0.00 H new ATOM 0 HA THR A 68 51.196 -9.034 19.221 1.00 0.00 H new ATOM 0 HB THR A 68 52.668 -7.246 21.230 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.542 -9.276 21.937 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.445 -8.578 22.914 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.318 -7.722 21.835 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.614 -9.463 21.613 1.00 0.00 H new ATOM 1057 N GLY A 69 49.533 -7.279 18.781 1.00 0.00 N ATOM 1058 CA GLY A 69 48.435 -6.326 18.656 1.00 0.00 C ATOM 1059 C GLY A 69 47.426 -6.796 17.612 1.00 0.00 C ATOM 1060 O GLY A 69 47.635 -7.793 16.932 1.00 0.00 O ATOM 0 H GLY A 69 49.371 -8.169 18.310 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.939 -6.207 19.619 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.826 -5.348 18.376 1.00 0.00 H new ATOM 1064 N PRO A 70 46.337 -6.104 17.477 1.00 0.00 N ATOM 1065 CA PRO A 70 45.274 -6.459 16.500 1.00 0.00 C ATOM 1066 C PRO A 70 45.809 -7.036 15.194 1.00 0.00 C ATOM 1067 O PRO A 70 45.355 -8.089 14.744 1.00 0.00 O ATOM 1068 CB PRO A 70 44.594 -5.121 16.267 1.00 0.00 C ATOM 1069 CG PRO A 70 44.653 -4.453 17.599 1.00 0.00 C ATOM 1070 CD PRO A 70 45.977 -4.896 18.239 1.00 0.00 C ATOM 0 HA PRO A 70 44.618 -7.245 16.874 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.110 -4.538 15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.566 -5.249 15.929 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.615 -3.369 17.493 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.804 -4.743 18.218 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.742 -4.124 18.154 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.858 -5.111 19.301 1.00 0.00 H new ATOM 1078 N GLN A 71 46.747 -6.331 14.571 1.00 0.00 N ATOM 1079 CA GLN A 71 47.297 -6.788 13.284 1.00 0.00 C ATOM 1080 C GLN A 71 48.816 -7.013 13.331 1.00 0.00 C ATOM 1081 O GLN A 71 49.539 -6.627 12.413 1.00 0.00 O ATOM 1082 CB GLN A 71 46.950 -5.764 12.198 1.00 0.00 C ATOM 1083 CG GLN A 71 45.493 -5.951 11.758 1.00 0.00 C ATOM 1084 CD GLN A 71 44.949 -4.647 11.182 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.194 -3.522 11.797 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 44.283 -4.653 10.147 1.00 0.00 N flip ATOM 0 H GLN A 71 47.141 -5.458 14.921 1.00 0.00 H new ATOM 0 HA GLN A 71 46.846 -7.754 13.056 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.099 -4.753 12.577 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.616 -5.885 11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.429 -6.742 11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.886 -6.264 12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 71 44.093 -5.533 9.668 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.921 -3.778 9.768 1.00 0.00 H new ATOM 1095 N GLU A 72 49.286 -7.660 14.390 1.00 0.00 N ATOM 1096 CA GLU A 72 50.712 -7.959 14.545 1.00 0.00 C ATOM 1097 C GLU A 72 51.196 -8.922 13.483 1.00 0.00 C ATOM 1098 O GLU A 72 52.304 -8.789 12.969 1.00 0.00 O ATOM 1099 CB GLU A 72 50.950 -8.587 15.929 1.00 0.00 C ATOM 1100 CG GLU A 72 49.703 -9.366 16.347 1.00 0.00 C ATOM 1101 CD GLU A 72 50.058 -10.464 17.341 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.233 -10.651 17.590 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.145 -11.104 17.838 1.00 0.00 O ATOM 0 H GLU A 72 48.702 -7.990 15.158 1.00 0.00 H new ATOM 0 HA GLU A 72 51.266 -7.026 14.443 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.814 -9.250 15.897 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.171 -7.810 16.661 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.977 -8.686 16.793 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.231 -9.804 15.468 1.00 0.00 H new ATOM 1110 N GLU A 73 50.371 -9.892 13.173 1.00 0.00 N ATOM 1111 CA GLU A 73 50.740 -10.886 12.186 1.00 0.00 C ATOM 1112 C GLU A 73 51.101 -10.219 10.877 1.00 0.00 C ATOM 1113 O GLU A 73 52.215 -10.369 10.388 1.00 0.00 O ATOM 1114 CB GLU A 73 49.588 -11.872 11.968 1.00 0.00 C ATOM 1115 CG GLU A 73 49.438 -12.781 13.200 1.00 0.00 C ATOM 1116 CD GLU A 73 49.619 -14.244 12.803 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.779 -15.047 13.175 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.596 -14.540 12.134 1.00 0.00 O ATOM 0 H GLU A 73 49.446 -10.017 13.584 1.00 0.00 H new ATOM 0 HA GLU A 73 51.608 -11.432 12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.660 -11.328 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.777 -12.476 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.176 -12.508 13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.455 -12.638 13.649 1.00 0.00 H new ATOM 1125 N GLU A 74 50.164 -9.473 10.319 1.00 0.00 N ATOM 1126 CA GLU A 74 50.420 -8.790 9.065 1.00 0.00 C ATOM 1127 C GLU A 74 51.707 -7.974 9.171 1.00 0.00 C ATOM 1128 O GLU A 74 52.578 -8.033 8.304 1.00 0.00 O ATOM 1129 CB GLU A 74 49.247 -7.877 8.721 1.00 0.00 C ATOM 1130 CG GLU A 74 49.459 -7.312 7.324 1.00 0.00 C ATOM 1131 CD GLU A 74 49.356 -8.423 6.284 1.00 0.00 C ATOM 1132 OE1 GLU A 74 50.334 -8.650 5.590 1.00 0.00 O ATOM 1133 OE2 GLU A 74 48.302 -9.031 6.198 1.00 0.00 O ATOM 0 H GLU A 74 49.232 -9.326 10.708 1.00 0.00 H new ATOM 0 HA GLU A 74 50.535 -9.530 8.273 1.00 0.00 H new ATOM 0 HB2 GLU A 74 48.310 -8.433 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.172 -7.068 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.715 -6.542 7.119 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.437 -6.835 7.261 1.00 0.00 H new ATOM 1140 N ALA A 75 51.802 -7.218 10.253 1.00 0.00 N ATOM 1141 CA ALA A 75 52.965 -6.374 10.519 1.00 0.00 C ATOM 1142 C ALA A 75 54.230 -7.203 10.537 1.00 0.00 C ATOM 1143 O ALA A 75 55.128 -6.981 9.737 1.00 0.00 O ATOM 1144 CB ALA A 75 52.790 -5.658 11.876 1.00 0.00 C ATOM 0 H ALA A 75 51.080 -7.169 10.972 1.00 0.00 H new ATOM 0 HA ALA A 75 53.047 -5.632 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.659 -5.030 12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.894 -5.039 11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.694 -6.400 12.669 1.00 0.00 H new ATOM 1150 N LEU A 76 54.276 -8.171 11.433 1.00 0.00 N ATOM 1151 CA LEU A 76 55.423 -9.050 11.543 1.00 0.00 C ATOM 1152 C LEU A 76 55.568 -9.850 10.253 1.00 0.00 C ATOM 1153 O LEU A 76 56.673 -10.139 9.802 1.00 0.00 O ATOM 1154 CB LEU A 76 55.196 -9.968 12.749 1.00 0.00 C ATOM 1155 CG LEU A 76 55.780 -11.367 12.507 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.988 -12.062 13.859 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.817 -12.203 11.639 1.00 0.00 C ATOM 0 H LEU A 76 53.528 -8.368 12.098 1.00 0.00 H new ATOM 0 HA LEU A 76 56.344 -8.486 11.690 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.656 -9.528 13.634 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.128 -10.048 12.951 1.00 0.00 H new ATOM 0 HG LEU A 76 56.733 -11.275 11.985 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.403 -13.057 13.697 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.677 -11.476 14.467 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.032 -12.147 14.375 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.242 -13.193 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.859 -12.300 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.669 -11.708 10.679 1.00 0.00 H new ATOM 1169 N ALA A 77 54.431 -10.187 9.667 1.00 0.00 N ATOM 1170 CA ALA A 77 54.396 -10.945 8.425 1.00 0.00 C ATOM 1171 C ALA A 77 54.839 -10.079 7.251 1.00 0.00 C ATOM 1172 O ALA A 77 55.279 -10.587 6.219 1.00 0.00 O ATOM 1173 CB ALA A 77 52.965 -11.413 8.181 1.00 0.00 C ATOM 0 H ALA A 77 53.511 -9.945 10.035 1.00 0.00 H new ATOM 0 HA ALA A 77 55.074 -11.795 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 77 52.922 -11.983 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.642 -12.043 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.307 -10.547 8.106 1.00 0.00 H new ATOM 1179 N ALA A 78 54.717 -8.768 7.419 1.00 0.00 N ATOM 1180 CA ALA A 78 55.102 -7.833 6.370 1.00 0.00 C ATOM 1181 C ALA A 78 56.607 -7.619 6.410 1.00 0.00 C ATOM 1182 O ALA A 78 57.262 -7.471 5.374 1.00 0.00 O ATOM 1183 CB ALA A 78 54.368 -6.499 6.560 1.00 0.00 C ATOM 0 H ALA A 78 54.357 -8.330 8.267 1.00 0.00 H new ATOM 0 HA ALA A 78 54.826 -8.244 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.662 -5.806 5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.292 -6.666 6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.628 -6.076 7.530 1.00 0.00 H new ATOM 1189 N VAL A 79 57.156 -7.644 7.617 1.00 0.00 N ATOM 1190 CA VAL A 79 58.585 -7.488 7.792 1.00 0.00 C ATOM 1191 C VAL A 79 59.259 -8.767 7.347 1.00 0.00 C ATOM 1192 O VAL A 79 60.245 -8.751 6.626 1.00 0.00 O ATOM 1193 CB VAL A 79 58.911 -7.225 9.269 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.634 -6.883 10.015 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.522 -8.479 9.892 1.00 0.00 C ATOM 0 H VAL A 79 56.632 -7.770 8.483 1.00 0.00 H new ATOM 0 HA VAL A 79 58.940 -6.644 7.201 1.00 0.00 H new ATOM 0 HB VAL A 79 59.617 -6.397 9.337 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.864 -6.696 11.064 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.185 -5.991 9.578 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.935 -7.716 9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.752 -8.289 10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.813 -9.304 9.820 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.437 -8.740 9.361 1.00 0.00 H new ATOM 1205 N ILE A 80 58.703 -9.878 7.807 1.00 0.00 N ATOM 1206 CA ILE A 80 59.227 -11.180 7.481 1.00 0.00 C ATOM 1207 C ILE A 80 59.438 -11.276 6.005 1.00 0.00 C ATOM 1208 O ILE A 80 60.561 -11.430 5.544 1.00 0.00 O ATOM 1209 CB ILE A 80 58.253 -12.225 7.991 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.420 -12.267 9.516 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.539 -13.593 7.352 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.041 -13.586 9.953 1.00 0.00 C ATOM 0 H ILE A 80 57.882 -9.895 8.412 1.00 0.00 H new ATOM 0 HA ILE A 80 60.193 -11.348 7.956 1.00 0.00 H new ATOM 0 HB ILE A 80 57.226 -11.974 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.049 -11.438 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.450 -12.139 9.997 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.829 -14.328 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.438 -13.517 6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.553 -13.906 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.151 -13.595 11.037 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.397 -14.410 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.021 -13.699 9.488 1.00 0.00 H new ATOM 1224 N ALA A 81 58.376 -11.121 5.254 1.00 0.00 N ATOM 1225 CA ALA A 81 58.529 -11.138 3.821 1.00 0.00 C ATOM 1226 C ALA A 81 59.664 -10.200 3.480 1.00 0.00 C ATOM 1227 O ALA A 81 60.311 -10.332 2.441 1.00 0.00 O ATOM 1228 CB ALA A 81 57.265 -10.664 3.134 1.00 0.00 C ATOM 0 H ALA A 81 57.425 -10.986 5.596 1.00 0.00 H new ATOM 0 HA ALA A 81 58.733 -12.154 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.408 -10.687 2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.437 -11.319 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.040 -9.645 3.449 1.00 0.00 H new ATOM 1234 N LEU A 82 59.923 -9.261 4.396 1.00 0.00 N ATOM 1235 CA LEU A 82 61.006 -8.329 4.205 1.00 0.00 C ATOM 1236 C LEU A 82 62.259 -8.893 4.854 1.00 0.00 C ATOM 1237 O LEU A 82 63.357 -8.787 4.311 1.00 0.00 O ATOM 1238 CB LEU A 82 60.645 -6.969 4.802 1.00 0.00 C ATOM 1239 CG LEU A 82 61.084 -5.865 3.840 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.583 -6.020 3.539 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.274 -5.968 2.534 1.00 0.00 C ATOM 0 H LEU A 82 59.398 -9.138 5.261 1.00 0.00 H new ATOM 0 HA LEU A 82 61.189 -8.186 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.571 -6.909 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.133 -6.841 5.768 1.00 0.00 H new ATOM 0 HG LEU A 82 60.906 -4.890 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.900 -5.234 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.150 -5.942 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.764 -6.994 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.587 -5.181 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.448 -6.941 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.212 -5.856 2.754 1.00 0.00 H new ATOM 1253 N PHE A 83 62.079 -9.523 6.010 1.00 0.00 N ATOM 1254 CA PHE A 83 63.195 -10.128 6.697 1.00 0.00 C ATOM 1255 C PHE A 83 63.641 -11.334 5.898 1.00 0.00 C ATOM 1256 O PHE A 83 64.826 -11.656 5.816 1.00 0.00 O ATOM 1257 CB PHE A 83 62.807 -10.546 8.108 1.00 0.00 C ATOM 1258 CG PHE A 83 62.776 -9.354 9.042 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.681 -8.038 8.549 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.844 -9.572 10.424 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.657 -6.965 9.439 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.818 -8.496 11.305 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.726 -7.198 10.813 1.00 0.00 C ATOM 0 H PHE A 83 61.179 -9.623 6.480 1.00 0.00 H new ATOM 0 HA PHE A 83 64.007 -9.406 6.782 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.828 -11.025 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.517 -11.285 8.480 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.627 -7.861 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.917 -10.579 10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.585 -5.954 9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.869 -8.668 12.370 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.708 -6.365 11.500 1.00 0.00 H new ATOM 1273 N ASN A 84 62.658 -11.968 5.281 1.00 0.00 N ATOM 1274 CA ASN A 84 62.892 -13.119 4.441 1.00 0.00 C ATOM 1275 C ASN A 84 63.411 -12.639 3.111 1.00 0.00 C ATOM 1276 O ASN A 84 63.996 -13.386 2.327 1.00 0.00 O ATOM 1277 CB ASN A 84 61.575 -13.869 4.244 1.00 0.00 C ATOM 1278 CG ASN A 84 61.792 -15.376 4.334 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.637 -15.927 3.628 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.072 -16.078 5.166 1.00 0.00 N ATOM 0 H ASN A 84 61.678 -11.696 5.351 1.00 0.00 H new ATOM 0 HA ASN A 84 63.619 -13.788 4.901 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.856 -13.555 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.149 -13.616 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.208 -17.087 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.373 -15.618 5.749 1.00 0.00 H new ATOM 1287 N SER A 85 63.174 -11.369 2.886 1.00 0.00 N ATOM 1288 CA SER A 85 63.600 -10.722 1.647 1.00 0.00 C ATOM 1289 C SER A 85 63.484 -9.205 1.750 1.00 0.00 C ATOM 1290 O SER A 85 64.408 -8.594 2.262 1.00 0.00 O ATOM 1291 CB SER A 85 62.746 -11.218 0.481 1.00 0.00 C ATOM 1292 OG SER A 85 62.858 -12.633 0.385 1.00 0.00 O ATOM 1293 OXT SER A 85 62.478 -8.676 1.308 1.00 0.00 O ATOM 0 H SER A 85 62.689 -10.754 3.539 1.00 0.00 H new ATOM 0 HA SER A 85 64.645 -10.979 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 85 61.705 -10.933 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 85 63.073 -10.752 -0.448 1.00 0.00 H new ATOM 0 HG SER A 85 63.702 -12.923 0.790 1.00 0.00 H new