USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 Set 1.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 86:sc= -3.98! USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= 0.171 F(o=-0.3,f=0.34) USER MOD Set 2.2: A 52 SER OG : rot -174:sc= 0.173 USER MOD Single : A 1 SER N :NH3+ -173:sc= 0 (180deg=-0.0589) USER MOD Single : A 1 SER OG : rot 180:sc= -0.255 USER MOD Single : A 2 HIS : no HD1:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 3 MET CE :methyl -128:sc= -2.65! (180deg=-4.84!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0.415 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 10 SER OG : rot 38:sc= -6.42! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 6:sc= -2.79! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.62) USER MOD Single : A 25 SER OG : rot 170:sc= 0.348 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 29 THR OG1 : rot 7:sc= 0.711 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 80:sc= -0.479 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.556) USER MOD Single : A 69 ASN : amide:sc= -2.95 K(o=-3,f=-5.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.07 K(o=-1.1,f=-13!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0903 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 87 TYR OH : rot -16:sc= -3.19! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.355 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 80.316 7.840 20.575 1.00 0.00 N ATOM 2 CA SER A 1 80.486 8.629 21.828 1.00 0.00 C ATOM 3 C SER A 1 79.346 9.642 21.976 1.00 0.00 C ATOM 4 O SER A 1 78.846 9.875 23.058 1.00 0.00 O ATOM 5 CB SER A 1 81.824 9.349 21.664 1.00 0.00 C ATOM 6 OG SER A 1 81.615 10.575 20.975 1.00 0.00 O ATOM 0 H1 SER A 1 81.025 7.080 20.545 1.00 0.00 H new ATOM 0 H2 SER A 1 79.362 7.426 20.552 1.00 0.00 H new ATOM 0 H3 SER A 1 80.442 8.464 19.752 1.00 0.00 H new ATOM 0 HA SER A 1 80.468 7.999 22.717 1.00 0.00 H new ATOM 0 HB2 SER A 1 82.270 9.538 22.640 1.00 0.00 H new ATOM 0 HB3 SER A 1 82.523 8.722 21.110 1.00 0.00 H new ATOM 0 HG SER A 1 82.471 11.041 20.869 1.00 0.00 H new ATOM 14 N HIS A 2 78.934 10.245 20.895 1.00 0.00 N ATOM 15 CA HIS A 2 77.827 11.241 20.974 1.00 0.00 C ATOM 16 C HIS A 2 78.273 12.464 21.780 1.00 0.00 C ATOM 17 O HIS A 2 79.045 12.358 22.712 1.00 0.00 O ATOM 18 CB HIS A 2 76.688 10.513 21.689 1.00 0.00 C ATOM 19 CG HIS A 2 75.377 10.887 21.054 1.00 0.00 C ATOM 20 ND1 HIS A 2 74.982 12.206 20.895 1.00 0.00 N ATOM 21 CD2 HIS A 2 74.362 10.125 20.531 1.00 0.00 C ATOM 22 CE1 HIS A 2 73.775 12.198 20.299 1.00 0.00 C ATOM 23 NE2 HIS A 2 73.351 10.955 20.056 1.00 0.00 N ATOM 0 H HIS A 2 79.315 10.092 19.961 1.00 0.00 H new ATOM 0 HA HIS A 2 77.525 11.602 19.991 1.00 0.00 H new ATOM 0 HB2 HIS A 2 76.838 9.435 21.631 1.00 0.00 H new ATOM 0 HB3 HIS A 2 76.681 10.777 22.746 1.00 0.00 H new ATOM 0 HD2 HIS A 2 74.350 9.046 20.494 1.00 0.00 H new ATOM 0 HE1 HIS A 2 73.217 13.088 20.048 1.00 0.00 H new ATOM 0 HE2 HIS A 2 72.474 10.674 19.617 1.00 0.00 H new ATOM 31 N MET A 3 77.791 13.625 21.429 1.00 0.00 N ATOM 32 CA MET A 3 78.188 14.854 22.175 1.00 0.00 C ATOM 33 C MET A 3 77.084 15.910 22.079 1.00 0.00 C ATOM 34 O MET A 3 75.948 15.607 21.777 1.00 0.00 O ATOM 35 CB MET A 3 79.462 15.343 21.483 1.00 0.00 C ATOM 36 CG MET A 3 79.235 15.392 19.971 1.00 0.00 C ATOM 37 SD MET A 3 80.130 14.031 19.182 1.00 0.00 S ATOM 38 CE MET A 3 78.753 13.397 18.193 1.00 0.00 C ATOM 0 H MET A 3 77.140 13.776 20.659 1.00 0.00 H new ATOM 0 HA MET A 3 78.350 14.660 23.235 1.00 0.00 H new ATOM 0 HB2 MET A 3 79.733 16.332 21.853 1.00 0.00 H new ATOM 0 HB3 MET A 3 80.293 14.677 21.715 1.00 0.00 H new ATOM 0 HG2 MET A 3 78.170 15.318 19.750 1.00 0.00 H new ATOM 0 HG3 MET A 3 79.578 16.347 19.572 1.00 0.00 H new ATOM 0 HE1 MET A 3 78.642 12.327 18.368 1.00 0.00 H new ATOM 0 HE2 MET A 3 77.834 13.909 18.478 1.00 0.00 H new ATOM 0 HE3 MET A 3 78.953 13.573 17.136 1.00 0.00 H new ATOM 48 N LEU A 4 77.411 17.148 22.334 1.00 0.00 N ATOM 49 CA LEU A 4 76.378 18.221 22.256 1.00 0.00 C ATOM 50 C LEU A 4 76.616 19.097 21.023 1.00 0.00 C ATOM 51 O LEU A 4 76.359 20.284 21.034 1.00 0.00 O ATOM 52 CB LEU A 4 76.558 19.036 23.538 1.00 0.00 C ATOM 53 CG LEU A 4 76.431 18.114 24.751 1.00 0.00 C ATOM 54 CD1 LEU A 4 77.504 18.474 25.780 1.00 0.00 C ATOM 55 CD2 LEU A 4 75.045 18.286 25.378 1.00 0.00 C ATOM 0 H LEU A 4 78.346 17.462 22.592 1.00 0.00 H new ATOM 0 HA LEU A 4 75.369 17.818 22.167 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.533 19.522 23.538 1.00 0.00 H new ATOM 0 HB3 LEU A 4 75.808 19.825 23.588 1.00 0.00 H new ATOM 0 HG LEU A 4 76.563 17.079 24.436 1.00 0.00 H new ATOM 0 HD11 LEU A 4 77.414 17.817 26.645 1.00 0.00 H new ATOM 0 HD12 LEU A 4 78.491 18.353 25.334 1.00 0.00 H new ATOM 0 HD13 LEU A 4 77.373 19.509 26.096 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.953 17.629 26.243 1.00 0.00 H new ATOM 0 HD22 LEU A 4 74.914 19.321 25.693 1.00 0.00 H new ATOM 0 HD23 LEU A 4 74.280 18.030 24.645 1.00 0.00 H new ATOM 67 N GLU A 5 77.107 18.520 19.961 1.00 0.00 N ATOM 68 CA GLU A 5 77.362 19.320 18.729 1.00 0.00 C ATOM 69 C GLU A 5 77.055 18.484 17.483 1.00 0.00 C ATOM 70 O GLU A 5 76.543 17.386 17.572 1.00 0.00 O ATOM 71 CB GLU A 5 78.849 19.672 18.785 1.00 0.00 C ATOM 72 CG GLU A 5 79.013 21.122 19.245 1.00 0.00 C ATOM 73 CD GLU A 5 80.269 21.721 18.607 1.00 0.00 C ATOM 74 OE1 GLU A 5 80.186 22.139 17.465 1.00 0.00 O ATOM 75 OE2 GLU A 5 81.291 21.749 19.274 1.00 0.00 O ATOM 0 H GLU A 5 77.343 17.530 19.893 1.00 0.00 H new ATOM 0 HA GLU A 5 76.735 20.210 18.677 1.00 0.00 H new ATOM 0 HB2 GLU A 5 79.367 19.001 19.470 1.00 0.00 H new ATOM 0 HB3 GLU A 5 79.303 19.537 17.803 1.00 0.00 H new ATOM 0 HG2 GLU A 5 78.136 21.705 18.964 1.00 0.00 H new ATOM 0 HG3 GLU A 5 79.089 21.164 20.332 1.00 0.00 H new ATOM 82 N ASP A 6 77.365 18.994 16.322 1.00 0.00 N ATOM 83 CA ASP A 6 77.092 18.226 15.074 1.00 0.00 C ATOM 84 C ASP A 6 77.487 16.758 15.261 1.00 0.00 C ATOM 85 O ASP A 6 78.644 16.450 15.468 1.00 0.00 O ATOM 86 CB ASP A 6 77.964 18.884 14.005 1.00 0.00 C ATOM 87 CG ASP A 6 77.236 18.853 12.660 1.00 0.00 C ATOM 88 OD1 ASP A 6 76.234 19.536 12.534 1.00 0.00 O ATOM 89 OD2 ASP A 6 77.694 18.145 11.777 1.00 0.00 O ATOM 0 H ASP A 6 77.795 19.909 16.184 1.00 0.00 H new ATOM 0 HA ASP A 6 76.036 18.239 14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 6 78.187 19.913 14.286 1.00 0.00 H new ATOM 0 HB3 ASP A 6 78.917 18.361 13.926 1.00 0.00 H new ATOM 94 N PRO A 7 76.505 15.897 15.191 1.00 0.00 N ATOM 95 CA PRO A 7 76.748 14.446 15.365 1.00 0.00 C ATOM 96 C PRO A 7 77.231 13.809 14.057 1.00 0.00 C ATOM 97 O PRO A 7 77.065 12.625 13.836 1.00 0.00 O ATOM 98 CB PRO A 7 75.378 13.905 15.746 1.00 0.00 C ATOM 99 CG PRO A 7 74.386 14.874 15.175 1.00 0.00 C ATOM 100 CD PRO A 7 75.089 16.194 14.962 1.00 0.00 C ATOM 0 HA PRO A 7 77.519 14.232 16.106 1.00 0.00 H new ATOM 0 HB2 PRO A 7 75.226 12.905 15.341 1.00 0.00 H new ATOM 0 HB3 PRO A 7 75.274 13.830 16.828 1.00 0.00 H new ATOM 0 HG2 PRO A 7 73.987 14.499 14.233 1.00 0.00 H new ATOM 0 HG3 PRO A 7 73.541 14.998 15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 7 74.921 16.575 13.955 1.00 0.00 H new ATOM 0 HD3 PRO A 7 74.726 16.953 15.654 1.00 0.00 H new ATOM 108 N CYS A 8 77.828 14.578 13.190 1.00 0.00 N ATOM 109 CA CYS A 8 78.318 14.009 11.902 1.00 0.00 C ATOM 110 C CYS A 8 79.612 14.709 11.475 1.00 0.00 C ATOM 111 O CYS A 8 80.696 14.190 11.654 1.00 0.00 O ATOM 112 CB CYS A 8 77.194 14.278 10.900 1.00 0.00 C ATOM 113 SG CYS A 8 77.643 13.591 9.287 1.00 0.00 S ATOM 0 H CYS A 8 77.998 15.576 13.317 1.00 0.00 H new ATOM 0 HA CYS A 8 78.547 12.946 11.975 1.00 0.00 H new ATOM 0 HB2 CYS A 8 76.265 13.830 11.252 1.00 0.00 H new ATOM 0 HB3 CYS A 8 77.018 15.350 10.814 1.00 0.00 H new ATOM 0 HG CYS A 8 76.686 13.818 8.437 1.00 0.00 H new ATOM 119 N THR A 9 79.511 15.887 10.913 1.00 0.00 N ATOM 120 CA THR A 9 80.737 16.622 10.476 1.00 0.00 C ATOM 121 C THR A 9 81.379 15.932 9.266 1.00 0.00 C ATOM 122 O THR A 9 82.405 16.355 8.773 1.00 0.00 O ATOM 123 CB THR A 9 81.681 16.576 11.679 1.00 0.00 C ATOM 124 OG1 THR A 9 80.925 16.690 12.877 1.00 0.00 O ATOM 125 CG2 THR A 9 82.680 17.729 11.591 1.00 0.00 C ATOM 0 H THR A 9 78.631 16.372 10.738 1.00 0.00 H new ATOM 0 HA THR A 9 80.510 17.644 10.171 1.00 0.00 H new ATOM 0 HB THR A 9 82.223 15.630 11.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 81.528 16.659 13.649 1.00 0.00 H new ATOM 0 HG21 THR A 9 83.352 17.695 12.449 1.00 0.00 H new ATOM 0 HG22 THR A 9 83.260 17.639 10.672 1.00 0.00 H new ATOM 0 HG23 THR A 9 82.142 18.677 11.589 1.00 0.00 H new ATOM 133 N SER A 10 80.783 14.877 8.785 1.00 0.00 N ATOM 134 CA SER A 10 81.359 14.163 7.609 1.00 0.00 C ATOM 135 C SER A 10 80.237 13.567 6.757 1.00 0.00 C ATOM 136 O SER A 10 80.230 12.390 6.456 1.00 0.00 O ATOM 137 CB SER A 10 82.225 13.055 8.207 1.00 0.00 C ATOM 138 OG SER A 10 83.556 13.190 7.727 1.00 0.00 O ATOM 0 H SER A 10 79.921 14.477 9.155 1.00 0.00 H new ATOM 0 HA SER A 10 81.934 14.825 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 10 82.211 13.114 9.295 1.00 0.00 H new ATOM 0 HB3 SER A 10 81.825 12.078 7.935 1.00 0.00 H new ATOM 0 HG SER A 10 83.788 14.140 7.669 1.00 0.00 H new ATOM 144 N LYS A 11 79.285 14.371 6.368 1.00 0.00 N ATOM 145 CA LYS A 11 78.162 13.850 5.536 1.00 0.00 C ATOM 146 C LYS A 11 78.702 13.236 4.243 1.00 0.00 C ATOM 147 O LYS A 11 78.390 12.112 3.901 1.00 0.00 O ATOM 148 CB LYS A 11 77.294 15.071 5.230 1.00 0.00 C ATOM 149 CG LYS A 11 75.818 14.669 5.260 1.00 0.00 C ATOM 150 CD LYS A 11 75.445 13.992 3.939 1.00 0.00 C ATOM 151 CE LYS A 11 74.962 12.566 4.215 1.00 0.00 C ATOM 152 NZ LYS A 11 74.391 12.097 2.922 1.00 0.00 N ATOM 0 H LYS A 11 79.236 15.365 6.590 1.00 0.00 H new ATOM 0 HA LYS A 11 77.599 13.069 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 11 77.483 15.857 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 11 77.551 15.477 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 11 75.632 13.991 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 11 75.194 15.548 5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 74.664 14.561 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 11 76.307 13.973 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 11 75.783 11.927 4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 11 74.213 12.549 5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 74.038 11.125 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 73.607 12.721 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 75.128 12.118 2.189 1.00 0.00 H new ATOM 166 N LYS A 12 79.508 13.964 3.518 1.00 0.00 N ATOM 167 CA LYS A 12 80.061 13.420 2.250 1.00 0.00 C ATOM 168 C LYS A 12 81.181 12.422 2.535 1.00 0.00 C ATOM 169 O LYS A 12 81.785 11.871 1.637 1.00 0.00 O ATOM 170 CB LYS A 12 80.602 14.637 1.505 1.00 0.00 C ATOM 171 CG LYS A 12 80.611 14.338 0.013 1.00 0.00 C ATOM 172 CD LYS A 12 81.211 15.522 -0.747 1.00 0.00 C ATOM 173 CE LYS A 12 80.299 16.742 -0.598 1.00 0.00 C ATOM 174 NZ LYS A 12 81.131 17.898 -1.034 1.00 0.00 N ATOM 0 H LYS A 12 79.806 14.911 3.751 1.00 0.00 H new ATOM 0 HA LYS A 12 79.309 12.884 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 12 79.983 15.511 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 12 81.609 14.872 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 12 81.191 13.436 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 12 79.596 14.147 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 12 82.205 15.749 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 12 81.328 15.269 -1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 12 79.405 16.644 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 12 79.965 16.862 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 80.575 18.774 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 81.972 17.970 -0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 81.429 17.759 -2.021 1.00 0.00 H new ATOM 188 N VAL A 13 81.452 12.180 3.780 1.00 0.00 N ATOM 189 CA VAL A 13 82.523 11.210 4.140 1.00 0.00 C ATOM 190 C VAL A 13 81.915 9.817 4.297 1.00 0.00 C ATOM 191 O VAL A 13 82.348 8.864 3.680 1.00 0.00 O ATOM 192 CB VAL A 13 83.088 11.714 5.468 1.00 0.00 C ATOM 193 CG1 VAL A 13 83.869 10.593 6.155 1.00 0.00 C ATOM 194 CG2 VAL A 13 84.022 12.898 5.207 1.00 0.00 C ATOM 0 H VAL A 13 80.977 12.613 4.572 1.00 0.00 H new ATOM 0 HA VAL A 13 83.301 11.138 3.380 1.00 0.00 H new ATOM 0 HB VAL A 13 82.267 12.030 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.270 10.956 7.101 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.205 9.749 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.689 10.274 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.426 13.258 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.840 12.580 4.561 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.466 13.700 4.721 1.00 0.00 H new ATOM 204 N ARG A 14 80.906 9.699 5.108 1.00 0.00 N ATOM 205 CA ARG A 14 80.255 8.373 5.293 1.00 0.00 C ATOM 206 C ARG A 14 79.537 7.978 4.002 1.00 0.00 C ATOM 207 O ARG A 14 79.221 6.826 3.780 1.00 0.00 O ATOM 208 CB ARG A 14 79.254 8.573 6.431 1.00 0.00 C ATOM 209 CG ARG A 14 79.672 7.726 7.634 1.00 0.00 C ATOM 210 CD ARG A 14 79.250 6.272 7.407 1.00 0.00 C ATOM 211 NE ARG A 14 79.901 5.507 8.506 1.00 0.00 N ATOM 212 CZ ARG A 14 79.280 5.338 9.640 1.00 0.00 C ATOM 213 NH1 ARG A 14 78.282 4.500 9.719 1.00 0.00 N ATOM 214 NH2 ARG A 14 79.654 6.007 10.697 1.00 0.00 N ATOM 0 H ARG A 14 80.502 10.462 5.652 1.00 0.00 H new ATOM 0 HA ARG A 14 80.967 7.582 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 14 79.212 9.626 6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 14 78.254 8.290 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 14 80.751 7.785 7.776 1.00 0.00 H new ATOM 0 HG3 ARG A 14 79.210 8.112 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 14 78.166 6.166 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 14 79.575 5.914 6.430 1.00 0.00 H new ATOM 0 HE ARG A 14 80.833 5.115 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 14 77.988 3.978 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 14 77.796 4.368 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 14 80.433 6.663 10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 14 79.167 5.874 11.583 1.00 0.00 H new ATOM 228 N ALA A 15 79.280 8.932 3.149 1.00 0.00 N ATOM 229 CA ALA A 15 78.588 8.622 1.872 1.00 0.00 C ATOM 230 C ALA A 15 79.503 7.798 0.965 1.00 0.00 C ATOM 231 O ALA A 15 79.048 7.010 0.159 1.00 0.00 O ATOM 232 CB ALA A 15 78.292 9.983 1.242 1.00 0.00 C ATOM 0 H ALA A 15 79.521 9.914 3.284 1.00 0.00 H new ATOM 0 HA ALA A 15 77.680 8.038 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.779 9.840 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.658 10.564 1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 15 79.227 10.517 1.073 1.00 0.00 H new ATOM 238 N ALA A 16 80.791 7.975 1.086 1.00 0.00 N ATOM 239 CA ALA A 16 81.728 7.197 0.225 1.00 0.00 C ATOM 240 C ALA A 16 82.157 5.923 0.930 1.00 0.00 C ATOM 241 O ALA A 16 83.224 5.390 0.700 1.00 0.00 O ATOM 242 CB ALA A 16 82.920 8.111 -0.004 1.00 0.00 C ATOM 0 H ALA A 16 81.233 8.621 1.740 1.00 0.00 H new ATOM 0 HA ALA A 16 81.265 6.897 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.653 7.603 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.589 9.024 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.375 8.363 0.954 1.00 0.00 H new ATOM 248 N ARG A 17 81.328 5.445 1.793 1.00 0.00 N ATOM 249 CA ARG A 17 81.654 4.209 2.549 1.00 0.00 C ATOM 250 C ARG A 17 80.360 3.447 2.781 1.00 0.00 C ATOM 251 O ARG A 17 80.282 2.543 3.588 1.00 0.00 O ATOM 252 CB ARG A 17 82.260 4.707 3.868 1.00 0.00 C ATOM 253 CG ARG A 17 82.791 6.128 3.657 1.00 0.00 C ATOM 254 CD ARG A 17 83.471 6.647 4.916 1.00 0.00 C ATOM 255 NE ARG A 17 84.235 5.488 5.460 1.00 0.00 N ATOM 256 CZ ARG A 17 85.537 5.464 5.370 1.00 0.00 C ATOM 257 NH1 ARG A 17 86.110 5.422 4.199 1.00 0.00 N ATOM 258 NH2 ARG A 17 86.265 5.483 6.453 1.00 0.00 N ATOM 0 H ARG A 17 80.423 5.859 2.016 1.00 0.00 H new ATOM 0 HA ARG A 17 82.344 3.540 2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 17 81.508 4.698 4.657 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.066 4.046 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 17 83.498 6.137 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.970 6.790 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.133 7.482 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.738 7.008 5.638 1.00 0.00 H new ATOM 0 HE ARG A 17 83.740 4.714 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.541 5.408 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 17 87.127 5.403 4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.816 5.517 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 17 87.282 5.464 6.384 1.00 0.00 H new ATOM 272 N THR A 18 79.335 3.824 2.066 1.00 0.00 N ATOM 273 CA THR A 18 78.021 3.139 2.227 1.00 0.00 C ATOM 274 C THR A 18 77.080 3.495 1.072 1.00 0.00 C ATOM 275 O THR A 18 77.201 4.537 0.458 1.00 0.00 O ATOM 276 CB THR A 18 77.464 3.666 3.550 1.00 0.00 C ATOM 277 OG1 THR A 18 78.245 3.163 4.625 1.00 0.00 O ATOM 278 CG2 THR A 18 76.013 3.213 3.712 1.00 0.00 C ATOM 0 H THR A 18 79.351 4.576 1.378 1.00 0.00 H new ATOM 0 HA THR A 18 78.123 2.054 2.224 1.00 0.00 H new ATOM 0 HB THR A 18 77.503 4.755 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 18 79.017 2.676 4.269 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.617 3.589 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.416 3.602 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.969 2.124 3.709 1.00 0.00 H new ATOM 286 N LEU A 19 76.140 2.638 0.781 1.00 0.00 N ATOM 287 CA LEU A 19 75.178 2.917 -0.326 1.00 0.00 C ATOM 288 C LEU A 19 73.819 2.290 -0.007 1.00 0.00 C ATOM 289 O LEU A 19 73.710 1.415 0.829 1.00 0.00 O ATOM 290 CB LEU A 19 75.790 2.276 -1.578 1.00 0.00 C ATOM 291 CG LEU A 19 76.292 0.865 -1.262 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.286 -0.164 -1.781 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.642 0.643 -1.948 1.00 0.00 C ATOM 0 H LEU A 19 75.995 1.752 1.264 1.00 0.00 H new ATOM 0 HA LEU A 19 75.014 3.985 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.047 2.235 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.614 2.889 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 19 76.404 0.752 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.644 -1.169 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.322 -0.006 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.175 -0.052 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.003 -0.361 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.525 0.756 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.361 1.376 -1.582 1.00 0.00 H new ATOM 305 N LEU A 20 72.780 2.735 -0.659 1.00 0.00 N ATOM 306 CA LEU A 20 71.425 2.165 -0.379 1.00 0.00 C ATOM 307 C LEU A 20 71.027 1.153 -1.457 1.00 0.00 C ATOM 308 O LEU A 20 70.830 1.503 -2.602 1.00 0.00 O ATOM 309 CB LEU A 20 70.477 3.365 -0.406 1.00 0.00 C ATOM 310 CG LEU A 20 69.140 2.973 0.226 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.262 3.013 1.749 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.057 3.957 -0.225 1.00 0.00 C ATOM 0 H LEU A 20 72.807 3.465 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 20 71.398 1.636 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.917 4.202 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.323 3.697 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 20 68.871 1.965 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.309 2.734 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.034 2.313 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.531 4.021 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.103 3.680 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.327 4.965 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.969 3.928 -1.311 1.00 0.00 H new ATOM 324 N ALA A 21 70.889 -0.097 -1.100 1.00 0.00 N ATOM 325 CA ALA A 21 70.487 -1.114 -2.114 1.00 0.00 C ATOM 326 C ALA A 21 69.006 -0.937 -2.456 1.00 0.00 C ATOM 327 O ALA A 21 68.227 -0.475 -1.646 1.00 0.00 O ATOM 328 CB ALA A 21 70.728 -2.466 -1.442 1.00 0.00 C ATOM 0 H ALA A 21 71.036 -0.455 -0.156 1.00 0.00 H new ATOM 0 HA ALA A 21 71.048 -1.024 -3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.454 -3.267 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.781 -2.558 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.120 -2.538 -0.540 1.00 0.00 H new ATOM 334 N LYS A 22 68.607 -1.294 -3.646 1.00 0.00 N ATOM 335 CA LYS A 22 67.173 -1.134 -4.019 1.00 0.00 C ATOM 336 C LYS A 22 66.742 -2.234 -4.984 1.00 0.00 C ATOM 337 O LYS A 22 67.526 -3.067 -5.393 1.00 0.00 O ATOM 338 CB LYS A 22 67.084 0.231 -4.701 1.00 0.00 C ATOM 339 CG LYS A 22 65.795 0.934 -4.272 1.00 0.00 C ATOM 340 CD LYS A 22 65.137 1.586 -5.490 1.00 0.00 C ATOM 341 CE LYS A 22 64.083 0.641 -6.071 1.00 0.00 C ATOM 342 NZ LYS A 22 63.124 1.529 -6.786 1.00 0.00 N ATOM 0 H LYS A 22 69.207 -1.687 -4.371 1.00 0.00 H new ATOM 0 HA LYS A 22 66.520 -1.202 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.948 0.839 -4.434 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.101 0.110 -5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.112 0.217 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.014 1.689 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.675 2.531 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.890 1.815 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.533 -0.083 -6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.585 0.073 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.370 0.954 -7.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.707 2.203 -6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.625 2.051 -7.533 1.00 0.00 H new ATOM 356 N ASN A 23 65.493 -2.237 -5.351 1.00 0.00 N ATOM 357 CA ASN A 23 64.989 -3.275 -6.295 1.00 0.00 C ATOM 358 C ASN A 23 65.257 -4.677 -5.740 1.00 0.00 C ATOM 359 O ASN A 23 65.194 -5.659 -6.453 1.00 0.00 O ATOM 360 CB ASN A 23 65.778 -3.052 -7.586 1.00 0.00 C ATOM 361 CG ASN A 23 65.208 -3.941 -8.693 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.161 -3.654 -9.238 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.856 -5.015 -9.051 1.00 0.00 N ATOM 0 H ASN A 23 64.795 -1.563 -5.037 1.00 0.00 H new ATOM 0 HA ASN A 23 63.913 -3.198 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.723 -2.004 -7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.831 -3.283 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.484 -5.613 -9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.735 -5.256 -8.594 1.00 0.00 H new ATOM 370 N LEU A 24 65.555 -4.780 -4.474 1.00 0.00 N ATOM 371 CA LEU A 24 65.823 -6.120 -3.880 1.00 0.00 C ATOM 372 C LEU A 24 64.512 -6.891 -3.712 1.00 0.00 C ATOM 373 O LEU A 24 63.634 -6.485 -2.978 1.00 0.00 O ATOM 374 CB LEU A 24 66.453 -5.833 -2.517 1.00 0.00 C ATOM 375 CG LEU A 24 67.728 -5.011 -2.705 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.771 -3.890 -1.666 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.947 -5.920 -2.524 1.00 0.00 C ATOM 0 H LEU A 24 65.624 -3.995 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 24 66.474 -6.728 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.748 -5.291 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.683 -6.768 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 24 67.739 -4.578 -3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.680 -3.304 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.902 -3.245 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.762 -4.321 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.858 -5.337 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.935 -6.350 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.917 -6.721 -3.263 1.00 0.00 H new ATOM 389 N SER A 25 64.369 -8.000 -4.384 1.00 0.00 N ATOM 390 CA SER A 25 63.110 -8.787 -4.254 1.00 0.00 C ATOM 391 C SER A 25 62.682 -8.854 -2.788 1.00 0.00 C ATOM 392 O SER A 25 63.491 -9.046 -1.902 1.00 0.00 O ATOM 393 CB SER A 25 63.452 -10.181 -4.773 1.00 0.00 C ATOM 394 OG SER A 25 62.811 -11.154 -3.960 1.00 0.00 O ATOM 0 H SER A 25 65.066 -8.394 -5.015 1.00 0.00 H new ATOM 0 HA SER A 25 62.286 -8.339 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.129 -10.286 -5.809 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.531 -10.332 -4.759 1.00 0.00 H new ATOM 0 HG SER A 25 62.893 -12.036 -4.379 1.00 0.00 H new ATOM 400 N PHE A 26 61.416 -8.703 -2.526 1.00 0.00 N ATOM 401 CA PHE A 26 60.930 -8.760 -1.130 1.00 0.00 C ATOM 402 C PHE A 26 61.350 -10.079 -0.481 1.00 0.00 C ATOM 403 O PHE A 26 61.417 -10.202 0.725 1.00 0.00 O ATOM 404 CB PHE A 26 59.416 -8.681 -1.270 1.00 0.00 C ATOM 405 CG PHE A 26 59.027 -7.401 -1.975 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.896 -6.302 -1.976 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.791 -7.314 -2.628 1.00 0.00 C ATOM 408 CE1 PHE A 26 59.531 -5.120 -2.630 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.427 -6.131 -3.282 1.00 0.00 C ATOM 410 CZ PHE A 26 58.296 -5.035 -3.283 1.00 0.00 C ATOM 0 H PHE A 26 60.694 -8.541 -3.228 1.00 0.00 H new ATOM 0 HA PHE A 26 61.332 -7.966 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.049 -9.541 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.949 -8.720 -0.286 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.849 -6.367 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.119 -8.159 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 26 60.202 -4.274 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.474 -6.065 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 26 58.014 -4.123 -3.788 1.00 0.00 H new ATOM 420 N ASN A 27 61.635 -11.066 -1.279 1.00 0.00 N ATOM 421 CA ASN A 27 62.056 -12.378 -0.724 1.00 0.00 C ATOM 422 C ASN A 27 63.513 -12.304 -0.271 1.00 0.00 C ATOM 423 O ASN A 27 63.956 -13.073 0.558 1.00 0.00 O ATOM 424 CB ASN A 27 61.899 -13.368 -1.879 1.00 0.00 C ATOM 425 CG ASN A 27 61.434 -14.720 -1.333 1.00 0.00 C ATOM 426 OD1 ASN A 27 60.380 -14.818 -0.737 1.00 0.00 O ATOM 427 ND2 ASN A 27 62.182 -15.774 -1.512 1.00 0.00 N ATOM 0 H ASN A 27 61.594 -11.020 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 27 61.465 -12.674 0.143 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.177 -12.988 -2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 27 62.847 -13.483 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.882 -16.680 -1.152 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.067 -15.692 -2.012 1.00 0.00 H new ATOM 434 N ILE A 28 64.263 -11.379 -0.810 1.00 0.00 N ATOM 435 CA ILE A 28 65.690 -11.260 -0.404 1.00 0.00 C ATOM 436 C ILE A 28 65.784 -10.521 0.936 1.00 0.00 C ATOM 437 O ILE A 28 64.812 -9.985 1.428 1.00 0.00 O ATOM 438 CB ILE A 28 66.374 -10.493 -1.555 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.548 -11.323 -2.078 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.895 -9.125 -1.092 1.00 0.00 C ATOM 441 CD1 ILE A 28 67.030 -12.656 -2.620 1.00 0.00 C ATOM 0 H ILE A 28 63.950 -10.706 -1.509 1.00 0.00 H new ATOM 0 HA ILE A 28 66.176 -12.223 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 28 65.636 -10.328 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.071 -10.778 -2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.268 -11.499 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.370 -8.614 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.063 -8.524 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 28 67.622 -9.264 -0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 28 67.867 -13.247 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 28 66.527 -13.202 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 28 66.327 -12.470 -3.432 1.00 0.00 H new ATOM 453 N THR A 29 66.944 -10.496 1.532 1.00 0.00 N ATOM 454 CA THR A 29 67.089 -9.799 2.844 1.00 0.00 C ATOM 455 C THR A 29 68.551 -9.429 3.108 1.00 0.00 C ATOM 456 O THR A 29 69.420 -9.628 2.278 1.00 0.00 O ATOM 457 CB THR A 29 66.615 -10.817 3.883 1.00 0.00 C ATOM 458 OG1 THR A 29 67.309 -12.043 3.687 1.00 0.00 O ATOM 459 CG2 THR A 29 65.111 -11.049 3.735 1.00 0.00 C ATOM 0 H THR A 29 67.795 -10.926 1.170 1.00 0.00 H new ATOM 0 HA THR A 29 66.518 -8.871 2.873 1.00 0.00 H new ATOM 0 HB THR A 29 66.819 -10.436 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.001 -11.922 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 29 64.780 -11.775 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 29 64.581 -10.108 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 29 64.898 -11.429 2.736 1.00 0.00 H new ATOM 467 N GLU A 30 68.828 -8.900 4.271 1.00 0.00 N ATOM 468 CA GLU A 30 70.230 -8.528 4.604 1.00 0.00 C ATOM 469 C GLU A 30 71.135 -9.744 4.429 1.00 0.00 C ATOM 470 O GLU A 30 72.307 -9.623 4.138 1.00 0.00 O ATOM 471 CB GLU A 30 70.191 -8.092 6.069 1.00 0.00 C ATOM 472 CG GLU A 30 71.046 -6.838 6.248 1.00 0.00 C ATOM 473 CD GLU A 30 72.254 -7.164 7.127 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.171 -7.795 6.629 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.243 -6.778 8.285 1.00 0.00 O ATOM 0 H GLU A 30 68.143 -8.711 5.003 1.00 0.00 H new ATOM 0 HA GLU A 30 70.618 -7.738 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.164 -7.892 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.562 -8.893 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.378 -6.470 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.455 -6.044 6.704 1.00 0.00 H new ATOM 482 N ASP A 31 70.594 -10.920 4.593 1.00 0.00 N ATOM 483 CA ASP A 31 71.419 -12.147 4.421 1.00 0.00 C ATOM 484 C ASP A 31 71.975 -12.185 3.000 1.00 0.00 C ATOM 485 O ASP A 31 73.168 -12.277 2.786 1.00 0.00 O ATOM 486 CB ASP A 31 70.456 -13.312 4.655 1.00 0.00 C ATOM 487 CG ASP A 31 71.055 -14.274 5.682 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.060 -14.892 5.371 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.499 -14.377 6.763 1.00 0.00 O ATOM 0 H ASP A 31 69.618 -11.083 4.838 1.00 0.00 H new ATOM 0 HA ASP A 31 72.266 -12.186 5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 31 69.496 -12.938 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 31 70.268 -13.836 3.718 1.00 0.00 H new ATOM 494 N GLU A 32 71.115 -12.094 2.028 1.00 0.00 N ATOM 495 CA GLU A 32 71.585 -12.106 0.614 1.00 0.00 C ATOM 496 C GLU A 32 72.402 -10.844 0.344 1.00 0.00 C ATOM 497 O GLU A 32 73.404 -10.868 -0.349 1.00 0.00 O ATOM 498 CB GLU A 32 70.312 -12.116 -0.233 1.00 0.00 C ATOM 499 CG GLU A 32 69.675 -13.506 -0.185 1.00 0.00 C ATOM 500 CD GLU A 32 68.950 -13.691 1.149 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.448 -12.709 1.670 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.911 -14.813 1.629 1.00 0.00 O ATOM 0 H GLU A 32 70.106 -12.012 2.149 1.00 0.00 H new ATOM 0 HA GLU A 32 72.220 -12.963 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 32 69.610 -11.370 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.546 -11.848 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 32 68.974 -13.625 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.441 -14.273 -0.304 1.00 0.00 H new ATOM 509 N LEU A 33 71.995 -9.746 0.915 1.00 0.00 N ATOM 510 CA LEU A 33 72.754 -8.487 0.720 1.00 0.00 C ATOM 511 C LEU A 33 74.087 -8.624 1.437 1.00 0.00 C ATOM 512 O LEU A 33 75.103 -8.132 0.993 1.00 0.00 O ATOM 513 CB LEU A 33 71.898 -7.395 1.362 1.00 0.00 C ATOM 514 CG LEU A 33 70.862 -6.899 0.353 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.689 -6.261 1.097 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.505 -5.860 -0.570 1.00 0.00 C ATOM 0 H LEU A 33 71.169 -9.669 1.508 1.00 0.00 H new ATOM 0 HA LEU A 33 72.953 -8.257 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.399 -7.784 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.529 -6.568 1.688 1.00 0.00 H new ATOM 0 HG LEU A 33 70.502 -7.740 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.951 -5.907 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.230 -6.999 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.049 -5.420 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.767 -5.506 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.865 -5.020 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.341 -6.314 -1.102 1.00 0.00 H new ATOM 528 N LYS A 34 74.084 -9.316 2.541 1.00 0.00 N ATOM 529 CA LYS A 34 75.346 -9.517 3.290 1.00 0.00 C ATOM 530 C LYS A 34 76.192 -10.555 2.563 1.00 0.00 C ATOM 531 O LYS A 34 77.404 -10.565 2.647 1.00 0.00 O ATOM 532 CB LYS A 34 74.925 -10.021 4.671 1.00 0.00 C ATOM 533 CG LYS A 34 76.165 -10.462 5.453 1.00 0.00 C ATOM 534 CD LYS A 34 75.871 -11.777 6.175 1.00 0.00 C ATOM 535 CE LYS A 34 76.964 -12.047 7.213 1.00 0.00 C ATOM 536 NZ LYS A 34 76.509 -13.262 7.943 1.00 0.00 N ATOM 0 H LYS A 34 73.259 -9.750 2.955 1.00 0.00 H new ATOM 0 HA LYS A 34 75.941 -8.607 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.401 -9.234 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 74.230 -10.855 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.010 -10.588 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.446 -9.694 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 34 74.897 -11.727 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 75.827 -12.596 5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.930 -12.212 6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.083 -11.201 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.207 -13.510 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 75.591 -13.073 8.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 76.411 -14.052 7.274 1.00 0.00 H new ATOM 550 N GLU A 35 75.548 -11.417 1.837 1.00 0.00 N ATOM 551 CA GLU A 35 76.281 -12.458 1.074 1.00 0.00 C ATOM 552 C GLU A 35 76.864 -11.840 -0.195 1.00 0.00 C ATOM 553 O GLU A 35 77.920 -12.222 -0.660 1.00 0.00 O ATOM 554 CB GLU A 35 75.233 -13.517 0.729 1.00 0.00 C ATOM 555 CG GLU A 35 75.921 -14.740 0.122 1.00 0.00 C ATOM 556 CD GLU A 35 75.659 -14.778 -1.385 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.601 -14.330 -1.793 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.521 -15.256 -2.104 1.00 0.00 O ATOM 0 H GLU A 35 74.533 -11.446 1.738 1.00 0.00 H new ATOM 0 HA GLU A 35 77.109 -12.888 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.683 -13.804 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.507 -13.109 0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.993 -14.700 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 35 75.547 -15.651 0.590 1.00 0.00 H new ATOM 565 N VAL A 36 76.184 -10.874 -0.751 1.00 0.00 N ATOM 566 CA VAL A 36 76.696 -10.213 -1.981 1.00 0.00 C ATOM 567 C VAL A 36 77.697 -9.126 -1.589 1.00 0.00 C ATOM 568 O VAL A 36 78.651 -8.862 -2.293 1.00 0.00 O ATOM 569 CB VAL A 36 75.462 -9.597 -2.645 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.896 -8.522 -3.646 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.682 -10.688 -3.380 1.00 0.00 C ATOM 0 H VAL A 36 75.295 -10.515 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 36 77.208 -10.903 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 36 74.830 -9.145 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.015 -8.086 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.452 -7.743 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.530 -8.971 -4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.803 -10.251 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.318 -11.139 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.369 -11.453 -2.669 1.00 0.00 H new ATOM 581 N PHE A 37 77.483 -8.494 -0.468 1.00 0.00 N ATOM 582 CA PHE A 37 78.412 -7.427 -0.026 1.00 0.00 C ATOM 583 C PHE A 37 79.417 -7.989 0.985 1.00 0.00 C ATOM 584 O PHE A 37 79.468 -7.567 2.123 1.00 0.00 O ATOM 585 CB PHE A 37 77.512 -6.386 0.632 1.00 0.00 C ATOM 586 CG PHE A 37 76.846 -5.547 -0.433 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.611 -4.683 -1.224 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.462 -5.636 -0.630 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.994 -3.907 -2.211 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.844 -4.859 -1.617 1.00 0.00 C ATOM 591 CZ PHE A 37 75.610 -3.995 -2.408 1.00 0.00 C ATOM 0 H PHE A 37 76.700 -8.675 0.161 1.00 0.00 H new ATOM 0 HA PHE A 37 78.993 -7.008 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 37 76.758 -6.878 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.098 -5.751 1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.678 -4.615 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.872 -6.304 -0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.585 -3.240 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.777 -4.926 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 37 75.134 -3.396 -3.170 1.00 0.00 H new ATOM 601 N GLU A 38 80.211 -8.941 0.580 1.00 0.00 N ATOM 602 CA GLU A 38 81.208 -9.536 1.519 1.00 0.00 C ATOM 603 C GLU A 38 82.364 -8.560 1.768 1.00 0.00 C ATOM 604 O GLU A 38 83.285 -8.852 2.504 1.00 0.00 O ATOM 605 CB GLU A 38 81.714 -10.794 0.813 1.00 0.00 C ATOM 606 CG GLU A 38 80.996 -12.021 1.379 1.00 0.00 C ATOM 607 CD GLU A 38 81.957 -13.211 1.401 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.732 -13.304 2.339 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.903 -14.008 0.480 1.00 0.00 O ATOM 0 H GLU A 38 80.214 -9.334 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 38 80.771 -9.758 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.536 -10.718 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.791 -10.893 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.636 -11.812 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.123 -12.257 0.771 1.00 0.00 H new ATOM 616 N ASP A 39 82.325 -7.405 1.161 1.00 0.00 N ATOM 617 CA ASP A 39 83.425 -6.419 1.369 1.00 0.00 C ATOM 618 C ASP A 39 82.920 -5.218 2.169 1.00 0.00 C ATOM 619 O ASP A 39 83.576 -4.200 2.259 1.00 0.00 O ATOM 620 CB ASP A 39 83.845 -5.991 -0.038 1.00 0.00 C ATOM 621 CG ASP A 39 85.365 -5.823 -0.090 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.974 -5.805 0.967 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.892 -5.713 -1.183 1.00 0.00 O ATOM 0 H ASP A 39 81.582 -7.102 0.532 1.00 0.00 H new ATOM 0 HA ASP A 39 84.257 -6.843 1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.526 -6.737 -0.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.356 -5.054 -0.306 1.00 0.00 H new ATOM 628 N ALA A 40 81.760 -5.328 2.756 1.00 0.00 N ATOM 629 CA ALA A 40 81.223 -4.190 3.553 1.00 0.00 C ATOM 630 C ALA A 40 81.118 -4.584 5.029 1.00 0.00 C ATOM 631 O ALA A 40 81.097 -5.751 5.367 1.00 0.00 O ATOM 632 CB ALA A 40 79.837 -3.914 2.971 1.00 0.00 C ATOM 0 H ALA A 40 81.163 -6.154 2.718 1.00 0.00 H new ATOM 0 HA ALA A 40 81.866 -3.311 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.375 -3.085 3.508 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.930 -3.656 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.216 -4.804 3.073 1.00 0.00 H new ATOM 638 N LEU A 41 81.048 -3.624 5.911 1.00 0.00 N ATOM 639 CA LEU A 41 80.939 -3.955 7.357 1.00 0.00 C ATOM 640 C LEU A 41 79.581 -4.587 7.633 1.00 0.00 C ATOM 641 O LEU A 41 79.455 -5.509 8.413 1.00 0.00 O ATOM 642 CB LEU A 41 81.050 -2.620 8.096 1.00 0.00 C ATOM 643 CG LEU A 41 82.245 -1.826 7.575 1.00 0.00 C ATOM 644 CD1 LEU A 41 81.828 -0.367 7.385 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.386 -1.903 8.589 1.00 0.00 C ATOM 0 H LEU A 41 81.062 -2.628 5.692 1.00 0.00 H new ATOM 0 HA LEU A 41 81.709 -4.658 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.135 -2.044 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.160 -2.797 9.166 1.00 0.00 H new ATOM 0 HG LEU A 41 82.579 -2.240 6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.676 0.208 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.010 -0.313 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 81.501 0.045 8.340 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.241 -1.337 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.057 -1.483 9.540 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.675 -2.944 8.733 1.00 0.00 H new ATOM 657 N GLU A 42 78.561 -4.088 6.994 1.00 0.00 N ATOM 658 CA GLU A 42 77.200 -4.649 7.215 1.00 0.00 C ATOM 659 C GLU A 42 76.181 -3.951 6.313 1.00 0.00 C ATOM 660 O GLU A 42 76.456 -2.926 5.715 1.00 0.00 O ATOM 661 CB GLU A 42 76.897 -4.372 8.688 1.00 0.00 C ATOM 662 CG GLU A 42 76.602 -2.885 8.880 1.00 0.00 C ATOM 663 CD GLU A 42 76.123 -2.640 10.312 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.637 -3.291 11.207 1.00 0.00 O ATOM 665 OE2 GLU A 42 75.251 -1.806 10.489 1.00 0.00 O ATOM 0 H GLU A 42 78.611 -3.316 6.329 1.00 0.00 H new ATOM 0 HA GLU A 42 77.148 -5.712 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.043 -4.967 9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.745 -4.668 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.498 -2.297 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.841 -2.560 8.170 1.00 0.00 H new ATOM 672 N ILE A 43 75.006 -4.506 6.206 1.00 0.00 N ATOM 673 CA ILE A 43 73.965 -3.888 5.340 1.00 0.00 C ATOM 674 C ILE A 43 72.633 -3.785 6.083 1.00 0.00 C ATOM 675 O ILE A 43 72.323 -4.585 6.944 1.00 0.00 O ATOM 676 CB ILE A 43 73.823 -4.839 4.155 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.067 -4.749 3.271 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.589 -4.456 3.337 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.776 -6.104 3.244 1.00 0.00 C ATOM 0 H ILE A 43 74.722 -5.362 6.682 1.00 0.00 H new ATOM 0 HA ILE A 43 74.241 -2.878 5.037 1.00 0.00 H new ATOM 0 HB ILE A 43 73.714 -5.859 4.523 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.786 -4.454 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.741 -3.982 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.488 -5.136 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.701 -4.524 3.965 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.697 -3.435 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.663 -6.038 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.070 -6.381 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.101 -6.860 2.843 1.00 0.00 H new ATOM 691 N ARG A 44 71.834 -2.815 5.738 1.00 0.00 N ATOM 692 CA ARG A 44 70.510 -2.664 6.397 1.00 0.00 C ATOM 693 C ARG A 44 69.421 -3.089 5.404 1.00 0.00 C ATOM 694 O ARG A 44 69.649 -3.141 4.212 1.00 0.00 O ATOM 695 CB ARG A 44 70.424 -1.172 6.762 1.00 0.00 C ATOM 696 CG ARG A 44 69.032 -0.615 6.446 1.00 0.00 C ATOM 697 CD ARG A 44 68.796 0.663 7.255 1.00 0.00 C ATOM 698 NE ARG A 44 67.413 1.089 6.904 1.00 0.00 N ATOM 699 CZ ARG A 44 66.996 2.282 7.226 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.758 3.320 7.012 1.00 0.00 N ATOM 701 NH2 ARG A 44 65.816 2.438 7.761 1.00 0.00 N ATOM 0 H ARG A 44 72.043 -2.117 5.024 1.00 0.00 H new ATOM 0 HA ARG A 44 70.380 -3.280 7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.642 -1.039 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.179 -0.613 6.208 1.00 0.00 H new ATOM 0 HG2 ARG A 44 68.947 -0.404 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.269 -1.356 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.893 0.477 8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.524 1.433 6.998 1.00 0.00 H new ATOM 0 HE ARG A 44 66.792 0.447 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.680 3.198 6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.432 4.253 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 44 65.220 1.627 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 44 65.490 3.371 8.013 1.00 0.00 H new ATOM 715 N LEU A 45 68.247 -3.395 5.881 1.00 0.00 N ATOM 716 CA LEU A 45 67.164 -3.823 4.956 1.00 0.00 C ATOM 717 C LEU A 45 66.008 -2.829 4.993 1.00 0.00 C ATOM 718 O LEU A 45 65.371 -2.634 6.009 1.00 0.00 O ATOM 719 CB LEU A 45 66.712 -5.190 5.476 1.00 0.00 C ATOM 720 CG LEU A 45 66.480 -6.133 4.294 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.320 -5.611 3.443 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.747 -6.199 3.439 1.00 0.00 C ATOM 0 H LEU A 45 67.992 -3.367 6.868 1.00 0.00 H new ATOM 0 HA LEU A 45 67.505 -3.872 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.467 -5.605 6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.796 -5.085 6.057 1.00 0.00 H new ATOM 0 HG LEU A 45 66.238 -7.128 4.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.155 -6.283 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.416 -5.562 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 45 65.561 -4.615 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.583 -6.871 2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 45 67.987 -5.203 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.575 -6.570 4.043 1.00 0.00 H new ATOM 734 N VAL A 46 65.733 -2.202 3.888 1.00 0.00 N ATOM 735 CA VAL A 46 64.617 -1.222 3.848 1.00 0.00 C ATOM 736 C VAL A 46 63.400 -1.840 3.156 1.00 0.00 C ATOM 737 O VAL A 46 63.419 -2.147 1.968 1.00 0.00 O ATOM 738 CB VAL A 46 65.155 -0.038 3.058 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.142 1.103 3.110 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.479 0.418 3.675 1.00 0.00 C ATOM 0 H VAL A 46 66.234 -2.326 3.008 1.00 0.00 H new ATOM 0 HA VAL A 46 64.291 -0.921 4.844 1.00 0.00 H new ATOM 0 HB VAL A 46 65.320 -0.328 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.523 1.954 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.199 0.772 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.980 1.399 4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.869 1.266 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.315 0.714 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.197 -0.401 3.641 1.00 0.00 H new ATOM 750 N SER A 47 62.350 -2.028 3.907 1.00 0.00 N ATOM 751 CA SER A 47 61.111 -2.633 3.353 1.00 0.00 C ATOM 752 C SER A 47 59.889 -2.067 4.086 1.00 0.00 C ATOM 753 O SER A 47 60.016 -1.255 4.981 1.00 0.00 O ATOM 754 CB SER A 47 61.264 -4.124 3.634 1.00 0.00 C ATOM 755 OG SER A 47 61.999 -4.301 4.837 1.00 0.00 O ATOM 0 H SER A 47 62.300 -1.783 4.896 1.00 0.00 H new ATOM 0 HA SER A 47 60.970 -2.427 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 60.283 -4.592 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.778 -4.611 2.805 1.00 0.00 H new ATOM 0 HG SER A 47 61.405 -4.171 5.605 1.00 0.00 H new ATOM 761 N GLN A 48 58.709 -2.488 3.720 1.00 0.00 N ATOM 762 CA GLN A 48 57.491 -1.965 4.407 1.00 0.00 C ATOM 763 C GLN A 48 57.372 -2.580 5.803 1.00 0.00 C ATOM 764 O GLN A 48 57.884 -2.052 6.770 1.00 0.00 O ATOM 765 CB GLN A 48 56.320 -2.399 3.527 1.00 0.00 C ATOM 766 CG GLN A 48 55.002 -2.073 4.232 1.00 0.00 C ATOM 767 CD GLN A 48 53.865 -2.861 3.579 1.00 0.00 C ATOM 768 OE1 GLN A 48 53.914 -3.117 2.300 1.00 0.00 O flip ATOM 769 NE2 GLN A 48 52.922 -3.248 4.240 1.00 0.00 N flip ATOM 0 H GLN A 48 58.535 -3.167 2.980 1.00 0.00 H new ATOM 0 HA GLN A 48 57.521 -0.883 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.366 -1.889 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 48 56.381 -3.468 3.324 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.072 -2.324 5.290 1.00 0.00 H new ATOM 0 HG3 GLN A 48 54.799 -1.004 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 48 52.884 -3.048 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 48 52.169 -3.773 3.795 1.00 0.00 H new ATOM 778 N ASP A 49 56.703 -3.695 5.916 1.00 0.00 N ATOM 779 CA ASP A 49 56.558 -4.342 7.250 1.00 0.00 C ATOM 780 C ASP A 49 57.738 -5.284 7.504 1.00 0.00 C ATOM 781 O ASP A 49 57.899 -5.815 8.584 1.00 0.00 O ATOM 782 CB ASP A 49 55.249 -5.129 7.170 1.00 0.00 C ATOM 783 CG ASP A 49 54.541 -5.077 8.525 1.00 0.00 C ATOM 784 OD1 ASP A 49 54.593 -4.036 9.159 1.00 0.00 O ATOM 785 OD2 ASP A 49 53.959 -6.079 8.905 1.00 0.00 O ATOM 0 H ASP A 49 56.252 -4.185 5.144 1.00 0.00 H new ATOM 0 HA ASP A 49 56.545 -3.618 8.064 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.607 -4.710 6.395 1.00 0.00 H new ATOM 0 HB3 ASP A 49 55.450 -6.164 6.892 1.00 0.00 H new ATOM 790 N GLY A 50 58.564 -5.492 6.516 1.00 0.00 N ATOM 791 CA GLY A 50 59.733 -6.397 6.701 1.00 0.00 C ATOM 792 C GLY A 50 60.396 -6.666 5.347 1.00 0.00 C ATOM 793 O GLY A 50 61.577 -6.939 5.269 1.00 0.00 O ATOM 0 H GLY A 50 58.480 -5.075 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 50 60.451 -5.944 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 50 59.411 -7.336 7.152 1.00 0.00 H new ATOM 797 N LYS A 51 59.647 -6.597 4.280 1.00 0.00 N ATOM 798 CA LYS A 51 60.241 -6.856 2.940 1.00 0.00 C ATOM 799 C LYS A 51 59.262 -6.461 1.828 1.00 0.00 C ATOM 800 O LYS A 51 58.580 -7.294 1.265 1.00 0.00 O ATOM 801 CB LYS A 51 60.500 -8.360 2.923 1.00 0.00 C ATOM 802 CG LYS A 51 59.169 -9.113 2.965 1.00 0.00 C ATOM 803 CD LYS A 51 59.326 -10.382 3.805 1.00 0.00 C ATOM 804 CE LYS A 51 58.176 -10.474 4.811 1.00 0.00 C ATOM 805 NZ LYS A 51 58.160 -11.898 5.246 1.00 0.00 N ATOM 0 H LYS A 51 58.652 -6.373 4.279 1.00 0.00 H new ATOM 0 HA LYS A 51 61.148 -6.277 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 61.055 -8.633 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 61.116 -8.642 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 51 58.393 -8.477 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 51 58.853 -9.370 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 51 59.329 -11.260 3.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 60.282 -10.368 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 51 58.336 -9.805 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 51 57.228 -10.190 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 57.397 -12.041 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 57.999 -12.511 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 59.073 -12.138 5.683 1.00 0.00 H new ATOM 819 N SER A 52 59.186 -5.198 1.505 1.00 0.00 N ATOM 820 CA SER A 52 58.249 -4.766 0.430 1.00 0.00 C ATOM 821 C SER A 52 58.821 -3.593 -0.380 1.00 0.00 C ATOM 822 O SER A 52 58.236 -3.180 -1.363 1.00 0.00 O ATOM 823 CB SER A 52 56.983 -4.339 1.164 1.00 0.00 C ATOM 824 OG SER A 52 55.888 -4.350 0.257 1.00 0.00 O ATOM 0 H SER A 52 59.729 -4.451 1.937 1.00 0.00 H new ATOM 0 HA SER A 52 58.068 -5.566 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 52 56.787 -5.014 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 52 57.112 -3.342 1.585 1.00 0.00 H new ATOM 0 HG SER A 52 55.093 -3.985 0.699 1.00 0.00 H new ATOM 830 N LYS A 53 59.960 -3.059 -0.012 1.00 0.00 N ATOM 831 CA LYS A 53 60.530 -1.943 -0.804 1.00 0.00 C ATOM 832 C LYS A 53 61.807 -2.431 -1.480 1.00 0.00 C ATOM 833 O LYS A 53 62.442 -1.721 -2.231 1.00 0.00 O ATOM 834 CB LYS A 53 60.831 -0.841 0.212 1.00 0.00 C ATOM 835 CG LYS A 53 59.577 -0.561 1.043 1.00 0.00 C ATOM 836 CD LYS A 53 59.417 0.948 1.235 1.00 0.00 C ATOM 837 CE LYS A 53 58.924 1.231 2.656 1.00 0.00 C ATOM 838 NZ LYS A 53 58.812 2.714 2.736 1.00 0.00 N ATOM 0 H LYS A 53 60.510 -3.349 0.796 1.00 0.00 H new ATOM 0 HA LYS A 53 59.860 -1.580 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 53 61.651 -1.145 0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.150 0.066 -0.302 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.699 -0.970 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.652 -1.055 2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 53 60.369 1.451 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 53 58.710 1.345 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 53 57.963 0.752 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.622 0.847 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.479 2.986 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.743 3.142 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.136 3.050 2.021 1.00 0.00 H new ATOM 852 N GLY A 54 62.182 -3.656 -1.215 1.00 0.00 N ATOM 853 CA GLY A 54 63.408 -4.210 -1.831 1.00 0.00 C ATOM 854 C GLY A 54 64.549 -3.218 -1.664 1.00 0.00 C ATOM 855 O GLY A 54 65.445 -3.156 -2.482 1.00 0.00 O ATOM 0 H GLY A 54 61.684 -4.294 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.666 -5.160 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.238 -4.411 -2.889 1.00 0.00 H new ATOM 859 N ILE A 55 64.540 -2.436 -0.616 1.00 0.00 N ATOM 860 CA ILE A 55 65.660 -1.465 -0.449 1.00 0.00 C ATOM 861 C ILE A 55 66.516 -1.854 0.755 1.00 0.00 C ATOM 862 O ILE A 55 66.117 -2.655 1.573 1.00 0.00 O ATOM 863 CB ILE A 55 64.995 -0.104 -0.249 1.00 0.00 C ATOM 864 CG1 ILE A 55 64.337 0.338 -1.557 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.051 0.926 0.148 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.014 1.039 -1.252 1.00 0.00 C ATOM 0 H ILE A 55 63.827 -2.426 0.113 1.00 0.00 H new ATOM 0 HA ILE A 55 66.328 -1.449 -1.310 1.00 0.00 H new ATOM 0 HB ILE A 55 64.243 -0.182 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 55 65.000 1.011 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 55 64.163 -0.526 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.577 1.897 0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.530 0.616 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.801 1.001 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.546 1.354 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.351 0.352 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.201 1.912 -0.627 1.00 0.00 H new ATOM 878 N ALA A 56 67.697 -1.309 0.860 1.00 0.00 N ATOM 879 CA ALA A 56 68.578 -1.660 2.008 1.00 0.00 C ATOM 880 C ALA A 56 69.749 -0.682 2.087 1.00 0.00 C ATOM 881 O ALA A 56 70.008 0.067 1.166 1.00 0.00 O ATOM 882 CB ALA A 56 69.078 -3.073 1.705 1.00 0.00 C ATOM 0 H ALA A 56 68.089 -0.637 0.201 1.00 0.00 H new ATOM 0 HA ALA A 56 68.055 -1.610 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.736 -3.406 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.228 -3.751 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.627 -3.071 0.763 1.00 0.00 H new ATOM 888 N TYR A 57 70.461 -0.682 3.178 1.00 0.00 N ATOM 889 CA TYR A 57 71.619 0.249 3.308 1.00 0.00 C ATOM 890 C TYR A 57 72.919 -0.548 3.408 1.00 0.00 C ATOM 891 O TYR A 57 73.121 -1.311 4.329 1.00 0.00 O ATOM 892 CB TYR A 57 71.364 1.033 4.595 1.00 0.00 C ATOM 893 CG TYR A 57 71.225 2.501 4.273 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.325 3.220 3.788 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.996 3.144 4.460 1.00 0.00 C ATOM 896 CE1 TYR A 57 72.194 4.581 3.492 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.865 4.505 4.163 1.00 0.00 C ATOM 898 CZ TYR A 57 70.965 5.224 3.679 1.00 0.00 C ATOM 899 OH TYR A 57 70.836 6.567 3.386 1.00 0.00 O ATOM 0 H TYR A 57 70.293 -1.284 3.984 1.00 0.00 H new ATOM 0 HA TYR A 57 71.716 0.912 2.448 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.459 0.669 5.081 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.185 0.880 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.273 2.724 3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.148 2.589 4.834 1.00 0.00 H new ATOM 0 HE1 TYR A 57 73.042 5.136 3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.916 5.001 4.307 1.00 0.00 H new ATOM 0 HH TYR A 57 69.918 6.856 3.571 1.00 0.00 H new ATOM 909 N ILE A 58 73.798 -0.379 2.461 1.00 0.00 N ATOM 910 CA ILE A 58 75.086 -1.134 2.494 1.00 0.00 C ATOM 911 C ILE A 58 76.218 -0.217 2.967 1.00 0.00 C ATOM 912 O ILE A 58 76.490 0.802 2.364 1.00 0.00 O ATOM 913 CB ILE A 58 75.344 -1.590 1.047 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.027 -1.728 0.272 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.051 -2.943 1.063 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.080 -2.653 1.035 1.00 0.00 C ATOM 0 H ILE A 58 73.683 0.248 1.665 1.00 0.00 H new ATOM 0 HA ILE A 58 75.040 -1.981 3.179 1.00 0.00 H new ATOM 0 HB ILE A 58 75.965 -0.841 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.567 -0.749 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.219 -2.128 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.235 -3.269 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.000 -2.851 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.423 -3.676 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.145 -2.751 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.541 -3.635 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.878 -2.234 2.021 1.00 0.00 H new ATOM 928 N GLU A 59 76.884 -0.566 4.036 1.00 0.00 N ATOM 929 CA GLU A 59 77.998 0.298 4.528 1.00 0.00 C ATOM 930 C GLU A 59 79.318 -0.475 4.491 1.00 0.00 C ATOM 931 O GLU A 59 79.416 -1.580 4.990 1.00 0.00 O ATOM 932 CB GLU A 59 77.623 0.668 5.967 1.00 0.00 C ATOM 933 CG GLU A 59 76.997 -0.536 6.674 1.00 0.00 C ATOM 934 CD GLU A 59 76.721 -0.180 8.136 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.661 -0.186 8.914 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.575 0.094 8.452 1.00 0.00 O ATOM 0 H GLU A 59 76.707 -1.406 4.587 1.00 0.00 H new ATOM 0 HA GLU A 59 78.133 1.186 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.510 0.997 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.922 1.503 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.070 -0.822 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.667 -1.394 6.617 1.00 0.00 H new ATOM 943 N PHE A 60 80.334 0.093 3.894 1.00 0.00 N ATOM 944 CA PHE A 60 81.642 -0.616 3.816 1.00 0.00 C ATOM 945 C PHE A 60 82.669 0.040 4.738 1.00 0.00 C ATOM 946 O PHE A 60 82.420 1.070 5.334 1.00 0.00 O ATOM 947 CB PHE A 60 82.077 -0.479 2.360 1.00 0.00 C ATOM 948 CG PHE A 60 81.000 -1.032 1.457 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.819 -0.309 1.251 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.184 -2.267 0.825 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.822 -0.822 0.413 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.188 -2.779 -0.013 1.00 0.00 C ATOM 953 CZ PHE A 60 79.007 -2.056 -0.219 1.00 0.00 C ATOM 0 H PHE A 60 80.313 1.015 3.459 1.00 0.00 H new ATOM 0 HA PHE A 60 81.559 -1.657 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.263 0.568 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.013 -1.014 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.677 0.644 1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.095 -2.825 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.910 -0.265 0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.330 -3.732 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.238 -2.451 -0.866 1.00 0.00 H new ATOM 963 N LYS A 61 83.827 -0.550 4.857 1.00 0.00 N ATOM 964 CA LYS A 61 84.876 0.036 5.738 1.00 0.00 C ATOM 965 C LYS A 61 85.750 1.011 4.944 1.00 0.00 C ATOM 966 O LYS A 61 86.690 1.580 5.461 1.00 0.00 O ATOM 967 CB LYS A 61 85.704 -1.157 6.220 1.00 0.00 C ATOM 968 CG LYS A 61 86.175 -1.974 5.015 1.00 0.00 C ATOM 969 CD LYS A 61 87.440 -2.748 5.386 1.00 0.00 C ATOM 970 CE LYS A 61 88.641 -2.151 4.649 1.00 0.00 C ATOM 971 NZ LYS A 61 89.130 -1.057 5.535 1.00 0.00 N ATOM 0 H LYS A 61 84.092 -1.413 4.382 1.00 0.00 H new ATOM 0 HA LYS A 61 84.449 0.597 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 61 86.563 -0.809 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 61 85.108 -1.782 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 61 85.392 -2.665 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.374 -1.314 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.603 -2.704 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.325 -3.800 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.415 -2.900 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.353 -1.768 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.954 -0.598 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.374 -0.355 5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.403 -1.453 6.457 1.00 0.00 H new ATOM 985 N SER A 62 85.445 1.207 3.690 1.00 0.00 N ATOM 986 CA SER A 62 86.259 2.146 2.865 1.00 0.00 C ATOM 987 C SER A 62 85.597 2.368 1.503 1.00 0.00 C ATOM 988 O SER A 62 84.859 1.534 1.013 1.00 0.00 O ATOM 989 CB SER A 62 87.615 1.459 2.693 1.00 0.00 C ATOM 990 OG SER A 62 87.515 0.102 3.107 1.00 0.00 O ATOM 0 H SER A 62 84.670 0.759 3.202 1.00 0.00 H new ATOM 0 HA SER A 62 86.355 3.124 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.931 1.510 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 62 88.373 1.975 3.282 1.00 0.00 H new ATOM 0 HG SER A 62 87.188 -0.444 2.362 1.00 0.00 H new ATOM 996 N GLU A 63 85.860 3.488 0.887 1.00 0.00 N ATOM 997 CA GLU A 63 85.252 3.766 -0.445 1.00 0.00 C ATOM 998 C GLU A 63 85.630 2.662 -1.434 1.00 0.00 C ATOM 999 O GLU A 63 84.855 2.292 -2.293 1.00 0.00 O ATOM 1000 CB GLU A 63 85.847 5.105 -0.882 1.00 0.00 C ATOM 1001 CG GLU A 63 85.278 5.496 -2.246 1.00 0.00 C ATOM 1002 CD GLU A 63 86.145 6.595 -2.865 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.944 7.169 -2.143 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.994 6.843 -4.051 1.00 0.00 O ATOM 0 H GLU A 63 86.469 4.222 1.248 1.00 0.00 H new ATOM 0 HA GLU A 63 84.163 3.800 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.616 5.875 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 63 86.933 5.032 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.250 4.627 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.252 5.846 -2.137 1.00 0.00 H new ATOM 1011 N ALA A 64 86.816 2.129 -1.318 1.00 0.00 N ATOM 1012 CA ALA A 64 87.236 1.049 -2.249 1.00 0.00 C ATOM 1013 C ALA A 64 86.346 -0.175 -2.049 1.00 0.00 C ATOM 1014 O ALA A 64 85.921 -0.808 -2.995 1.00 0.00 O ATOM 1015 CB ALA A 64 88.685 0.734 -1.874 1.00 0.00 C ATOM 0 H ALA A 64 87.510 2.396 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 64 87.151 1.342 -3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 64 89.064 -0.057 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 64 89.296 1.628 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.729 0.406 -0.836 1.00 0.00 H new ATOM 1021 N ASP A 65 86.044 -0.502 -0.823 1.00 0.00 N ATOM 1022 CA ASP A 65 85.161 -1.671 -0.570 1.00 0.00 C ATOM 1023 C ASP A 65 83.759 -1.347 -1.077 1.00 0.00 C ATOM 1024 O ASP A 65 83.181 -2.077 -1.858 1.00 0.00 O ATOM 1025 CB ASP A 65 85.159 -1.850 0.949 1.00 0.00 C ATOM 1026 CG ASP A 65 86.295 -2.791 1.356 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.676 -3.614 0.540 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.764 -2.673 2.475 1.00 0.00 O ATOM 0 H ASP A 65 86.370 -0.012 0.010 1.00 0.00 H new ATOM 0 HA ASP A 65 85.496 -2.577 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.280 -0.884 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.202 -2.256 1.276 1.00 0.00 H new ATOM 1033 N ALA A 66 83.219 -0.238 -0.650 1.00 0.00 N ATOM 1034 CA ALA A 66 81.862 0.157 -1.116 1.00 0.00 C ATOM 1035 C ALA A 66 81.871 0.364 -2.633 1.00 0.00 C ATOM 1036 O ALA A 66 80.923 0.041 -3.319 1.00 0.00 O ATOM 1037 CB ALA A 66 81.566 1.475 -0.401 1.00 0.00 C ATOM 0 H ALA A 66 83.660 0.411 0.002 1.00 0.00 H new ATOM 0 HA ALA A 66 81.111 -0.602 -0.898 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.579 1.834 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.591 1.318 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 66 82.317 2.215 -0.677 1.00 0.00 H new ATOM 1043 N GLU A 67 82.938 0.904 -3.162 1.00 0.00 N ATOM 1044 CA GLU A 67 83.007 1.133 -4.631 1.00 0.00 C ATOM 1045 C GLU A 67 83.165 -0.200 -5.367 1.00 0.00 C ATOM 1046 O GLU A 67 82.420 -0.512 -6.277 1.00 0.00 O ATOM 1047 CB GLU A 67 84.242 2.010 -4.837 1.00 0.00 C ATOM 1048 CG GLU A 67 84.456 2.247 -6.334 1.00 0.00 C ATOM 1049 CD GLU A 67 85.882 2.748 -6.574 1.00 0.00 C ATOM 1050 OE1 GLU A 67 86.508 3.171 -5.617 1.00 0.00 O ATOM 1051 OE2 GLU A 67 86.322 2.698 -7.710 1.00 0.00 O ATOM 0 H GLU A 67 83.763 1.195 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 67 82.104 1.604 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.115 2.962 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 67 85.119 1.528 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.286 1.323 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.736 2.977 -6.704 1.00 0.00 H new ATOM 1058 N LYS A 68 84.125 -0.992 -4.973 1.00 0.00 N ATOM 1059 CA LYS A 68 84.324 -2.305 -5.644 1.00 0.00 C ATOM 1060 C LYS A 68 83.037 -3.120 -5.553 1.00 0.00 C ATOM 1061 O LYS A 68 82.653 -3.805 -6.479 1.00 0.00 O ATOM 1062 CB LYS A 68 85.451 -2.984 -4.865 1.00 0.00 C ATOM 1063 CG LYS A 68 85.969 -4.185 -5.659 1.00 0.00 C ATOM 1064 CD LYS A 68 85.300 -5.463 -5.148 1.00 0.00 C ATOM 1065 CE LYS A 68 86.322 -6.603 -5.128 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.755 -6.757 -6.544 1.00 0.00 N ATOM 0 H LYS A 68 84.778 -0.786 -4.217 1.00 0.00 H new ATOM 0 HA LYS A 68 84.573 -2.206 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.261 -2.277 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.089 -3.308 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.758 -4.051 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.051 -4.263 -5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.900 -5.301 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.458 -5.726 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.166 -6.365 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 68 85.879 -7.524 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.049 -7.740 -6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 85.965 -6.518 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.555 -6.120 -6.734 1.00 0.00 H new ATOM 1080 N ASN A 69 82.364 -3.040 -4.439 1.00 0.00 N ATOM 1081 CA ASN A 69 81.096 -3.797 -4.281 1.00 0.00 C ATOM 1082 C ASN A 69 79.955 -3.053 -4.980 1.00 0.00 C ATOM 1083 O ASN A 69 79.177 -3.634 -5.710 1.00 0.00 O ATOM 1084 CB ASN A 69 80.864 -3.849 -2.773 1.00 0.00 C ATOM 1085 CG ASN A 69 81.444 -5.151 -2.220 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.956 -5.682 -1.242 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.476 -5.688 -2.810 1.00 0.00 N ATOM 0 H ASN A 69 82.640 -2.482 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 69 81.141 -4.793 -4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.336 -2.993 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.798 -3.790 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.875 -6.555 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.884 -5.241 -3.631 1.00 0.00 H new ATOM 1094 N LEU A 70 79.853 -1.770 -4.766 1.00 0.00 N ATOM 1095 CA LEU A 70 78.765 -0.991 -5.423 1.00 0.00 C ATOM 1096 C LEU A 70 78.854 -1.147 -6.941 1.00 0.00 C ATOM 1097 O LEU A 70 77.867 -1.056 -7.642 1.00 0.00 O ATOM 1098 CB LEU A 70 79.009 0.463 -5.009 1.00 0.00 C ATOM 1099 CG LEU A 70 77.927 1.367 -5.608 1.00 0.00 C ATOM 1100 CD1 LEU A 70 78.197 1.573 -7.100 1.00 0.00 C ATOM 1101 CD2 LEU A 70 76.553 0.718 -5.423 1.00 0.00 C ATOM 0 H LEU A 70 80.475 -1.228 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 70 77.773 -1.331 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 70 79.003 0.546 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.993 0.786 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 70 77.943 2.331 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 70 77.426 2.216 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 70 79.173 2.041 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 70 78.185 0.609 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 70 75.785 1.363 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.536 -0.248 -5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.358 0.576 -4.360 1.00 0.00 H new ATOM 1113 N GLU A 71 80.028 -1.384 -7.455 1.00 0.00 N ATOM 1114 CA GLU A 71 80.176 -1.549 -8.927 1.00 0.00 C ATOM 1115 C GLU A 71 80.063 -3.032 -9.300 1.00 0.00 C ATOM 1116 O GLU A 71 79.315 -3.406 -10.181 1.00 0.00 O ATOM 1117 CB GLU A 71 81.574 -1.009 -9.240 1.00 0.00 C ATOM 1118 CG GLU A 71 82.057 -1.569 -10.578 1.00 0.00 C ATOM 1119 CD GLU A 71 82.583 -0.429 -11.453 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.770 0.269 -12.035 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.791 -0.274 -11.526 1.00 0.00 O ATOM 0 H GLU A 71 80.892 -1.471 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 71 79.405 -1.024 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.553 0.080 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.268 -1.288 -8.447 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.843 -2.306 -10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.240 -2.082 -11.085 1.00 0.00 H new ATOM 1128 N GLU A 72 80.809 -3.875 -8.641 1.00 0.00 N ATOM 1129 CA GLU A 72 80.760 -5.327 -8.956 1.00 0.00 C ATOM 1130 C GLU A 72 79.432 -5.942 -8.497 1.00 0.00 C ATOM 1131 O GLU A 72 78.926 -6.865 -9.103 1.00 0.00 O ATOM 1132 CB GLU A 72 81.926 -5.937 -8.178 1.00 0.00 C ATOM 1133 CG GLU A 72 82.455 -7.162 -8.925 1.00 0.00 C ATOM 1134 CD GLU A 72 83.895 -7.442 -8.492 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.406 -6.688 -7.681 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.462 -8.407 -8.978 1.00 0.00 O ATOM 0 H GLU A 72 81.454 -3.617 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 72 80.834 -5.513 -10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.721 -5.201 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.600 -6.221 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.827 -8.028 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.414 -6.991 -10.001 1.00 0.00 H new ATOM 1143 N LYS A 73 78.870 -5.446 -7.428 1.00 0.00 N ATOM 1144 CA LYS A 73 77.582 -6.017 -6.933 1.00 0.00 C ATOM 1145 C LYS A 73 76.397 -5.370 -7.653 1.00 0.00 C ATOM 1146 O LYS A 73 75.409 -6.016 -7.934 1.00 0.00 O ATOM 1147 CB LYS A 73 77.551 -5.691 -5.440 1.00 0.00 C ATOM 1148 CG LYS A 73 78.891 -6.072 -4.808 1.00 0.00 C ATOM 1149 CD LYS A 73 79.041 -7.595 -4.802 1.00 0.00 C ATOM 1150 CE LYS A 73 79.828 -8.037 -6.037 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.908 -9.521 -5.929 1.00 0.00 N ATOM 0 H LYS A 73 79.244 -4.673 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 73 77.511 -7.089 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.356 -4.629 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.740 -6.234 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.710 -5.618 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.947 -5.687 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.555 -7.916 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.059 -8.067 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.325 -7.734 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.821 -7.588 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.435 -9.900 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.397 -9.779 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.948 -9.921 -5.921 1.00 0.00 H new ATOM 1165 N GLN A 74 76.492 -4.100 -7.950 1.00 0.00 N ATOM 1166 CA GLN A 74 75.378 -3.396 -8.653 1.00 0.00 C ATOM 1167 C GLN A 74 74.751 -4.306 -9.711 1.00 0.00 C ATOM 1168 O GLN A 74 75.183 -4.346 -10.846 1.00 0.00 O ATOM 1169 CB GLN A 74 76.035 -2.186 -9.318 1.00 0.00 C ATOM 1170 CG GLN A 74 75.513 -0.901 -8.673 1.00 0.00 C ATOM 1171 CD GLN A 74 74.061 -0.673 -9.092 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.188 -1.443 -8.742 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.763 0.360 -9.832 1.00 0.00 N ATOM 0 H GLN A 74 77.300 -3.516 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 74 74.579 -3.109 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.118 -2.244 -9.213 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.818 -2.183 -10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.582 -0.972 -7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.128 -0.054 -8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.496 1.006 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.797 0.522 -10.117 1.00 0.00 H new ATOM 1182 N GLY A 75 73.738 -5.036 -9.345 1.00 0.00 N ATOM 1183 CA GLY A 75 73.086 -5.945 -10.326 1.00 0.00 C ATOM 1184 C GLY A 75 72.914 -7.332 -9.705 1.00 0.00 C ATOM 1185 O GLY A 75 71.821 -7.743 -9.391 1.00 0.00 O ATOM 0 H GLY A 75 73.333 -5.043 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 75 72.116 -5.544 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.690 -6.013 -11.231 1.00 0.00 H new ATOM 1189 N ALA A 76 73.989 -8.052 -9.522 1.00 0.00 N ATOM 1190 CA ALA A 76 73.898 -9.417 -8.915 1.00 0.00 C ATOM 1191 C ALA A 76 72.611 -10.128 -9.356 1.00 0.00 C ATOM 1192 O ALA A 76 71.575 -9.992 -8.735 1.00 0.00 O ATOM 1193 CB ALA A 76 73.882 -9.178 -7.405 1.00 0.00 C ATOM 0 H ALA A 76 74.933 -7.753 -9.768 1.00 0.00 H new ATOM 0 HA ALA A 76 74.727 -10.053 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.816 -10.134 -6.886 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.797 -8.666 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.021 -8.563 -7.143 1.00 0.00 H new ATOM 1199 N GLU A 77 72.665 -10.884 -10.419 1.00 0.00 N ATOM 1200 CA GLU A 77 71.440 -11.598 -10.887 1.00 0.00 C ATOM 1201 C GLU A 77 70.967 -12.585 -9.815 1.00 0.00 C ATOM 1202 O GLU A 77 71.398 -13.720 -9.771 1.00 0.00 O ATOM 1203 CB GLU A 77 71.871 -12.343 -12.151 1.00 0.00 C ATOM 1204 CG GLU A 77 70.819 -12.146 -13.243 1.00 0.00 C ATOM 1205 CD GLU A 77 71.514 -11.929 -14.588 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.728 -12.039 -14.630 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.820 -11.656 -15.554 1.00 0.00 O ATOM 0 H GLU A 77 73.501 -11.039 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 77 70.612 -10.916 -11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.838 -11.973 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.993 -13.405 -11.936 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.166 -13.017 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.189 -11.289 -13.005 1.00 0.00 H new ATOM 1214 N ILE A 78 70.091 -12.158 -8.945 1.00 0.00 N ATOM 1215 CA ILE A 78 69.601 -13.068 -7.871 1.00 0.00 C ATOM 1216 C ILE A 78 68.096 -12.880 -7.666 1.00 0.00 C ATOM 1217 O ILE A 78 67.465 -12.088 -8.336 1.00 0.00 O ATOM 1218 CB ILE A 78 70.352 -12.643 -6.607 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.830 -12.401 -6.922 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.239 -13.744 -5.552 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.449 -11.577 -5.796 1.00 0.00 C ATOM 0 H ILE A 78 69.694 -11.218 -8.932 1.00 0.00 H new ATOM 0 HA ILE A 78 69.771 -14.116 -8.119 1.00 0.00 H new ATOM 0 HB ILE A 78 69.911 -11.720 -6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.354 -13.351 -7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.932 -11.877 -7.872 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.774 -13.442 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.189 -13.911 -5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.673 -14.665 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.503 -11.400 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.929 -10.622 -5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.358 -12.120 -4.855 1.00 0.00 H new ATOM 1233 N ASP A 79 67.522 -13.597 -6.739 1.00 0.00 N ATOM 1234 CA ASP A 79 66.061 -13.461 -6.475 1.00 0.00 C ATOM 1235 C ASP A 79 65.289 -13.312 -7.790 1.00 0.00 C ATOM 1236 O ASP A 79 64.268 -12.656 -7.854 1.00 0.00 O ATOM 1237 CB ASP A 79 65.930 -12.208 -5.601 1.00 0.00 C ATOM 1238 CG ASP A 79 65.975 -10.950 -6.471 1.00 0.00 C ATOM 1239 OD1 ASP A 79 67.066 -10.465 -6.721 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.917 -10.490 -6.863 1.00 0.00 O ATOM 0 H ASP A 79 68.005 -14.275 -6.150 1.00 0.00 H new ATOM 0 HA ASP A 79 65.645 -14.338 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 79 64.994 -12.240 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.736 -12.181 -4.868 1.00 0.00 H new ATOM 1245 N GLY A 80 65.764 -13.932 -8.836 1.00 0.00 N ATOM 1246 CA GLY A 80 65.062 -13.852 -10.141 1.00 0.00 C ATOM 1247 C GLY A 80 65.296 -12.489 -10.801 1.00 0.00 C ATOM 1248 O GLY A 80 64.513 -12.051 -11.619 1.00 0.00 O ATOM 0 H GLY A 80 66.615 -14.494 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.416 -14.646 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 80 63.994 -14.012 -9.995 1.00 0.00 H new ATOM 1252 N ARG A 81 66.366 -11.816 -10.466 1.00 0.00 N ATOM 1253 CA ARG A 81 66.629 -10.490 -11.098 1.00 0.00 C ATOM 1254 C ARG A 81 67.884 -9.860 -10.497 1.00 0.00 C ATOM 1255 O ARG A 81 68.529 -10.433 -9.642 1.00 0.00 O ATOM 1256 CB ARG A 81 65.396 -9.639 -10.789 1.00 0.00 C ATOM 1257 CG ARG A 81 65.023 -9.792 -9.316 1.00 0.00 C ATOM 1258 CD ARG A 81 63.660 -9.144 -9.065 1.00 0.00 C ATOM 1259 NE ARG A 81 62.705 -9.925 -9.897 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.428 -9.660 -9.848 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.019 -8.496 -9.422 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.560 -10.559 -10.224 1.00 0.00 N ATOM 0 H ARG A 81 67.063 -12.124 -9.788 1.00 0.00 H new ATOM 0 HA ARG A 81 66.798 -10.574 -12.171 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.598 -8.592 -11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.562 -9.947 -11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.991 -10.847 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 81 65.781 -9.325 -8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 81 63.391 -9.187 -8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.664 -8.092 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 81 63.049 -10.668 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.697 -7.794 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.021 -8.289 -9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.880 -11.469 -10.556 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.562 -10.352 -10.186 1.00 0.00 H new ATOM 1276 N SER A 82 68.245 -8.691 -10.946 1.00 0.00 N ATOM 1277 CA SER A 82 69.466 -8.036 -10.410 1.00 0.00 C ATOM 1278 C SER A 82 69.105 -6.975 -9.363 1.00 0.00 C ATOM 1279 O SER A 82 68.139 -6.252 -9.502 1.00 0.00 O ATOM 1280 CB SER A 82 70.117 -7.387 -11.627 1.00 0.00 C ATOM 1281 OG SER A 82 69.103 -6.912 -12.502 1.00 0.00 O ATOM 0 H SER A 82 67.746 -8.162 -11.661 1.00 0.00 H new ATOM 0 HA SER A 82 70.127 -8.745 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.760 -6.564 -11.315 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.751 -8.108 -12.143 1.00 0.00 H new ATOM 0 HG SER A 82 69.517 -6.492 -13.285 1.00 0.00 H new ATOM 1287 N VAL A 83 69.888 -6.874 -8.323 1.00 0.00 N ATOM 1288 CA VAL A 83 69.614 -5.860 -7.266 1.00 0.00 C ATOM 1289 C VAL A 83 70.241 -4.519 -7.656 1.00 0.00 C ATOM 1290 O VAL A 83 71.256 -4.468 -8.321 1.00 0.00 O ATOM 1291 CB VAL A 83 70.272 -6.423 -6.004 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.431 -5.311 -4.967 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.392 -7.536 -5.430 1.00 0.00 C ATOM 0 H VAL A 83 70.711 -7.454 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 83 68.549 -5.681 -7.121 1.00 0.00 H new ATOM 0 HB VAL A 83 71.254 -6.824 -6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.900 -5.715 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.056 -4.518 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.451 -4.907 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.857 -7.940 -4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.411 -7.132 -5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.281 -8.330 -6.169 1.00 0.00 H new ATOM 1303 N SER A 84 69.642 -3.432 -7.252 1.00 0.00 N ATOM 1304 CA SER A 84 70.205 -2.098 -7.607 1.00 0.00 C ATOM 1305 C SER A 84 70.848 -1.449 -6.380 1.00 0.00 C ATOM 1306 O SER A 84 70.387 -1.609 -5.267 1.00 0.00 O ATOM 1307 CB SER A 84 69.007 -1.278 -8.082 1.00 0.00 C ATOM 1308 OG SER A 84 68.339 -1.980 -9.122 1.00 0.00 O ATOM 0 H SER A 84 68.789 -3.410 -6.693 1.00 0.00 H new ATOM 0 HA SER A 84 70.981 -2.167 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.324 -1.097 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.338 -0.303 -8.440 1.00 0.00 H new ATOM 0 HG SER A 84 67.569 -1.457 -9.428 1.00 0.00 H new ATOM 1314 N LEU A 85 71.909 -0.716 -6.575 1.00 0.00 N ATOM 1315 CA LEU A 85 72.581 -0.055 -5.422 1.00 0.00 C ATOM 1316 C LEU A 85 72.504 1.465 -5.570 1.00 0.00 C ATOM 1317 O LEU A 85 72.764 2.010 -6.624 1.00 0.00 O ATOM 1318 CB LEU A 85 74.033 -0.526 -5.486 1.00 0.00 C ATOM 1319 CG LEU A 85 74.069 -2.050 -5.600 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.518 -2.534 -5.521 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.265 -2.663 -4.452 1.00 0.00 C ATOM 0 H LEU A 85 72.340 -0.546 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 85 72.113 -0.307 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.536 -0.075 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.571 -0.204 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 85 73.636 -2.354 -6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.544 -3.621 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.093 -2.095 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 85 75.951 -2.231 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.289 -3.750 -4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 85 73.700 -2.359 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.232 -2.318 -4.506 1.00 0.00 H new ATOM 1333 N TYR A 86 72.149 2.154 -4.522 1.00 0.00 N ATOM 1334 CA TYR A 86 72.056 3.635 -4.602 1.00 0.00 C ATOM 1335 C TYR A 86 73.054 4.274 -3.644 1.00 0.00 C ATOM 1336 O TYR A 86 72.751 4.532 -2.497 1.00 0.00 O ATOM 1337 CB TYR A 86 70.636 3.969 -4.168 1.00 0.00 C ATOM 1338 CG TYR A 86 69.658 3.531 -5.227 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.535 2.175 -5.547 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.869 4.480 -5.885 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.625 1.766 -6.527 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.959 4.074 -6.865 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.835 2.716 -7.187 1.00 0.00 C ATOM 1344 OH TYR A 86 66.937 2.314 -8.154 1.00 0.00 O ATOM 0 H TYR A 86 71.919 1.753 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 86 72.279 4.005 -5.603 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.409 3.473 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.542 5.041 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.143 1.443 -5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.963 5.527 -5.636 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.531 0.719 -6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.351 4.807 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 86 66.469 3.097 -8.511 1.00 0.00 H new ATOM 1354 N TYR A 87 74.241 4.528 -4.104 1.00 0.00 N ATOM 1355 CA TYR A 87 75.256 5.149 -3.226 1.00 0.00 C ATOM 1356 C TYR A 87 74.699 6.435 -2.614 1.00 0.00 C ATOM 1357 O TYR A 87 73.519 6.712 -2.691 1.00 0.00 O ATOM 1358 CB TYR A 87 76.431 5.454 -4.150 1.00 0.00 C ATOM 1359 CG TYR A 87 77.720 5.009 -3.502 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.826 4.966 -2.107 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.810 4.636 -4.299 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.022 4.551 -1.509 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.005 4.221 -3.699 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.111 4.179 -2.305 1.00 0.00 C ATOM 1365 OH TYR A 87 81.289 3.770 -1.714 1.00 0.00 O ATOM 0 H TYR A 87 74.552 4.331 -5.055 1.00 0.00 H new ATOM 0 HA TYR A 87 75.547 4.505 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.298 4.943 -5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.470 6.522 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.986 5.253 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.729 4.669 -5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.104 4.518 -0.433 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.846 3.933 -4.313 1.00 0.00 H new ATOM 0 HH TYR A 87 81.291 4.035 -0.771 1.00 0.00 H new ATOM 1375 N THR A 88 75.538 7.223 -2.010 1.00 0.00 N ATOM 1376 CA THR A 88 75.053 8.492 -1.393 1.00 0.00 C ATOM 1377 C THR A 88 76.120 9.586 -1.498 1.00 0.00 C ATOM 1378 O THR A 88 76.456 10.229 -0.526 1.00 0.00 O ATOM 1379 CB THR A 88 74.784 8.146 0.073 1.00 0.00 C ATOM 1380 OG1 THR A 88 75.385 6.896 0.384 1.00 0.00 O ATOM 1381 CG2 THR A 88 73.277 8.062 0.311 1.00 0.00 C ATOM 0 H THR A 88 76.538 7.047 -1.915 1.00 0.00 H new ATOM 0 HA THR A 88 74.163 8.873 -1.894 1.00 0.00 H new ATOM 0 HB THR A 88 75.208 8.921 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.214 6.676 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.087 7.815 1.356 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.817 9.022 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.850 7.289 -0.328 1.00 0.00 H new ATOM 1389 N GLY A 89 76.649 9.810 -2.671 1.00 0.00 N ATOM 1390 CA GLY A 89 77.686 10.870 -2.827 1.00 0.00 C ATOM 1391 C GLY A 89 78.797 10.401 -3.753 1.00 0.00 C ATOM 1392 O GLY A 89 79.669 11.153 -4.142 1.00 0.00 O ATOM 0 H GLY A 89 76.409 9.307 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.230 11.776 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 89 78.102 11.126 -1.852 1.00 0.00 H new ATOM 1396 N GLU A 90 78.760 9.166 -4.105 1.00 0.00 N ATOM 1397 CA GLU A 90 79.802 8.607 -5.014 1.00 0.00 C ATOM 1398 C GLU A 90 79.307 8.638 -6.463 1.00 0.00 C ATOM 1399 O GLU A 90 79.981 9.125 -7.349 1.00 0.00 O ATOM 1400 CB GLU A 90 80.005 7.166 -4.547 1.00 0.00 C ATOM 1401 CG GLU A 90 81.455 6.975 -4.098 1.00 0.00 C ATOM 1402 CD GLU A 90 82.306 6.539 -5.291 1.00 0.00 C ATOM 1403 OE1 GLU A 90 81.730 6.174 -6.303 1.00 0.00 O ATOM 1404 OE2 GLU A 90 83.520 6.576 -5.173 1.00 0.00 O ATOM 0 H GLU A 90 78.048 8.500 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 90 80.730 9.179 -4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 90 79.326 6.940 -3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 90 79.769 6.474 -5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 90 81.843 7.904 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.506 6.226 -3.308 1.00 0.00 H new ATOM 1411 N LYS A 91 78.133 8.125 -6.708 1.00 0.00 N ATOM 1412 CA LYS A 91 77.593 8.128 -8.098 1.00 0.00 C ATOM 1413 C LYS A 91 76.475 9.166 -8.226 1.00 0.00 C ATOM 1414 O LYS A 91 76.569 10.103 -8.994 1.00 0.00 O ATOM 1415 CB LYS A 91 77.044 6.718 -8.311 1.00 0.00 C ATOM 1416 CG LYS A 91 76.323 6.647 -9.659 1.00 0.00 C ATOM 1417 CD LYS A 91 77.335 6.832 -10.791 1.00 0.00 C ATOM 1418 CE LYS A 91 77.926 5.473 -11.175 1.00 0.00 C ATOM 1419 NZ LYS A 91 78.352 5.629 -12.594 1.00 0.00 N ATOM 0 H LYS A 91 77.524 7.704 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 91 78.351 8.385 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 91 77.857 5.992 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 91 76.357 6.459 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 91 75.817 5.687 -9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.555 7.419 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 91 76.851 7.287 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 91 78.129 7.510 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 91 78.770 5.214 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 91 77.189 4.677 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 78.768 4.738 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 77.527 5.869 -13.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 79.058 6.389 -12.663 1.00 0.00 H new ATOM 1433 N GLY A 92 75.416 9.006 -7.479 1.00 0.00 N ATOM 1434 CA GLY A 92 74.291 9.982 -7.555 1.00 0.00 C ATOM 1435 C GLY A 92 74.012 10.330 -9.017 1.00 0.00 C ATOM 1436 O GLY A 92 74.307 9.567 -9.915 1.00 0.00 O ATOM 0 H GLY A 92 75.281 8.240 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 92 73.398 9.560 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 92 74.541 10.884 -6.997 1.00 0.00 H new ATOM 1440 N GLY A 93 73.444 11.479 -9.264 1.00 0.00 N ATOM 1441 CA GLY A 93 73.148 11.877 -10.669 1.00 0.00 C ATOM 1442 C GLY A 93 74.122 12.972 -11.107 1.00 0.00 C ATOM 1443 O GLY A 93 73.725 14.059 -11.476 1.00 0.00 O ATOM 0 H GLY A 93 73.172 12.159 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 93 73.235 11.013 -11.328 1.00 0.00 H new ATOM 0 HA3 GLY A 93 72.122 12.236 -10.748 1.00 0.00 H new ATOM 1447 N THR A 94 75.397 12.694 -11.067 1.00 0.00 N ATOM 1448 CA THR A 94 76.396 13.720 -11.480 1.00 0.00 C ATOM 1449 C THR A 94 76.053 14.266 -12.869 1.00 0.00 C ATOM 1450 O THR A 94 75.032 13.937 -13.439 1.00 0.00 O ATOM 1451 CB THR A 94 77.733 12.979 -11.510 1.00 0.00 C ATOM 1452 OG1 THR A 94 78.730 13.826 -12.066 1.00 0.00 O ATOM 1453 CG2 THR A 94 77.599 11.718 -12.365 1.00 0.00 C ATOM 0 H THR A 94 75.789 11.802 -10.767 1.00 0.00 H new ATOM 0 HA THR A 94 76.417 14.573 -10.802 1.00 0.00 H new ATOM 0 HB THR A 94 78.017 12.700 -10.495 1.00 0.00 H new ATOM 0 HG1 THR A 94 79.588 13.353 -12.084 1.00 0.00 H new ATOM 0 HG21 THR A 94 78.552 11.190 -12.386 1.00 0.00 H new ATOM 0 HG22 THR A 94 76.834 11.069 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 94 77.315 11.995 -13.380 1.00 0.00 H new ATOM 1461 N ARG A 95 76.898 15.101 -13.412 1.00 0.00 N ATOM 1462 CA ARG A 95 76.631 15.675 -14.759 1.00 0.00 C ATOM 1463 C ARG A 95 76.039 14.613 -15.689 1.00 0.00 C ATOM 1464 O ARG A 95 76.744 13.784 -16.230 1.00 0.00 O ATOM 1465 CB ARG A 95 77.997 16.134 -15.270 1.00 0.00 C ATOM 1466 CG ARG A 95 78.504 17.288 -14.403 1.00 0.00 C ATOM 1467 CD ARG A 95 79.646 18.007 -15.125 1.00 0.00 C ATOM 1468 NE ARG A 95 79.592 19.408 -14.624 1.00 0.00 N ATOM 1469 CZ ARG A 95 80.697 20.073 -14.430 1.00 0.00 C ATOM 1470 NH1 ARG A 95 81.593 19.621 -13.595 1.00 0.00 N ATOM 1471 NH2 ARG A 95 80.908 21.191 -15.071 1.00 0.00 N ATOM 0 H ARG A 95 77.767 15.411 -12.976 1.00 0.00 H new ATOM 0 HA ARG A 95 75.911 16.493 -14.720 1.00 0.00 H new ATOM 0 HB2 ARG A 95 78.705 15.306 -15.242 1.00 0.00 H new ATOM 0 HB3 ARG A 95 77.920 16.452 -16.310 1.00 0.00 H new ATOM 0 HG2 ARG A 95 77.693 17.986 -14.198 1.00 0.00 H new ATOM 0 HG3 ARG A 95 78.849 16.909 -13.441 1.00 0.00 H new ATOM 0 HD2 ARG A 95 80.608 17.544 -14.903 1.00 0.00 H new ATOM 0 HD3 ARG A 95 79.516 17.969 -16.207 1.00 0.00 H new ATOM 0 HE ARG A 95 78.692 19.847 -14.433 1.00 0.00 H new ATOM 0 HH11 ARG A 95 81.429 18.748 -13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 95 82.457 20.141 -13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 95 80.208 21.545 -15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 95 81.772 21.711 -14.919 1.00 0.00 H new ATOM 1485 N GLY A 96 74.747 14.630 -15.878 1.00 0.00 N ATOM 1486 CA GLY A 96 74.111 13.622 -16.772 1.00 0.00 C ATOM 1487 C GLY A 96 72.951 14.270 -17.530 1.00 0.00 C ATOM 1488 O GLY A 96 72.660 15.423 -17.254 1.00 0.00 O ATOM 1489 OXT GLY A 96 72.374 13.604 -18.373 1.00 0.00 O ATOM 0 H GLY A 96 74.105 15.298 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 96 74.845 13.230 -17.476 1.00 0.00 H new ATOM 0 HA3 GLY A 96 73.749 12.777 -16.186 1.00 0.00 H new TER 1493 GLY A 96