USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=20 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 69 ASN : amide:sc= -6.4! C(o=-5.6!,f=-10!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 173:sc= 0.797 (180deg=0.485) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-4.5!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 10 SER OG : rot -62:sc= 0.971 USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= -0.171 (180deg=-0.617) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0183 X(o=0.018,f=-0.21) USER MOD Single : A 25 SER OG : rot -174:sc= 0.584! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.014 USER MOD Single : A 48 GLN : amide:sc= -0.613 K(o=-0.61,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 130:sc= -1.63! 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.55! USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= 0.274 (180deg=0.143) USER MOD Single : A 74 GLN : amide:sc= 0.503 K(o=0.5,f=-3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -160:sc= -1.27 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -146:sc= -0.458 USER MOD Single : A 88 THR OG1 : rot 54:sc= -0.177 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 92.012 6.330 17.720 1.00 0.00 N ATOM 2 CA SER A 1 92.672 7.654 17.911 1.00 0.00 C ATOM 3 C SER A 1 92.113 8.672 16.913 1.00 0.00 C ATOM 4 O SER A 1 91.515 9.661 17.290 1.00 0.00 O ATOM 5 CB SER A 1 94.154 7.399 17.641 1.00 0.00 C ATOM 6 OG SER A 1 94.773 8.614 17.235 1.00 0.00 O ATOM 0 H1 SER A 1 92.399 5.647 18.402 1.00 0.00 H new ATOM 0 H2 SER A 1 90.988 6.428 17.871 1.00 0.00 H new ATOM 0 H3 SER A 1 92.188 5.991 16.753 1.00 0.00 H new ATOM 0 HA SER A 1 92.503 8.060 18.908 1.00 0.00 H new ATOM 0 HB2 SER A 1 94.638 7.013 18.538 1.00 0.00 H new ATOM 0 HB3 SER A 1 94.269 6.642 16.866 1.00 0.00 H new ATOM 0 HG SER A 1 95.724 8.455 17.063 1.00 0.00 H new ATOM 14 N HIS A 2 92.300 8.437 15.643 1.00 0.00 N ATOM 15 CA HIS A 2 91.779 9.392 14.623 1.00 0.00 C ATOM 16 C HIS A 2 92.313 10.800 14.895 1.00 0.00 C ATOM 17 O HIS A 2 91.788 11.526 15.717 1.00 0.00 O ATOM 18 CB HIS A 2 90.259 9.354 14.787 1.00 0.00 C ATOM 19 CG HIS A 2 89.607 9.653 13.464 1.00 0.00 C ATOM 20 ND1 HIS A 2 89.004 8.667 12.699 1.00 0.00 N ATOM 21 CD2 HIS A 2 89.456 10.821 12.758 1.00 0.00 C ATOM 22 CE1 HIS A 2 88.523 9.255 11.588 1.00 0.00 C ATOM 23 NE2 HIS A 2 88.772 10.567 11.574 1.00 0.00 N ATOM 0 H HIS A 2 92.791 7.626 15.267 1.00 0.00 H new ATOM 0 HA HIS A 2 92.087 9.126 13.612 1.00 0.00 H new ATOM 0 HB2 HIS A 2 89.945 8.374 15.147 1.00 0.00 H new ATOM 0 HB3 HIS A 2 89.944 10.083 15.533 1.00 0.00 H new ATOM 0 HD2 HIS A 2 89.814 11.790 13.074 1.00 0.00 H new ATOM 0 HE1 HIS A 2 87.999 8.730 10.803 1.00 0.00 H new ATOM 0 HE2 HIS A 2 88.516 11.239 10.850 1.00 0.00 H new ATOM 31 N MET A 3 93.351 11.194 14.210 1.00 0.00 N ATOM 32 CA MET A 3 93.917 12.556 14.431 1.00 0.00 C ATOM 33 C MET A 3 93.066 13.605 13.711 1.00 0.00 C ATOM 34 O MET A 3 91.912 13.379 13.403 1.00 0.00 O ATOM 35 CB MET A 3 95.323 12.503 13.832 1.00 0.00 C ATOM 36 CG MET A 3 96.310 13.178 14.784 1.00 0.00 C ATOM 37 SD MET A 3 97.798 12.158 14.934 1.00 0.00 S ATOM 38 CE MET A 3 98.477 12.962 16.406 1.00 0.00 C ATOM 0 H MET A 3 93.832 10.633 13.507 1.00 0.00 H new ATOM 0 HA MET A 3 93.934 12.830 15.486 1.00 0.00 H new ATOM 0 HB2 MET A 3 95.618 11.468 13.660 1.00 0.00 H new ATOM 0 HB3 MET A 3 95.336 13.003 12.864 1.00 0.00 H new ATOM 0 HG2 MET A 3 96.571 14.169 14.412 1.00 0.00 H new ATOM 0 HG3 MET A 3 95.851 13.316 15.763 1.00 0.00 H new ATOM 0 HE1 MET A 3 99.416 12.482 16.682 1.00 0.00 H new ATOM 0 HE2 MET A 3 98.656 14.016 16.195 1.00 0.00 H new ATOM 0 HE3 MET A 3 97.768 12.872 17.229 1.00 0.00 H new ATOM 48 N LEU A 4 93.625 14.753 13.439 1.00 0.00 N ATOM 49 CA LEU A 4 92.847 15.815 12.739 1.00 0.00 C ATOM 50 C LEU A 4 91.701 16.303 13.628 1.00 0.00 C ATOM 51 O LEU A 4 91.161 15.562 14.425 1.00 0.00 O ATOM 52 CB LEU A 4 92.301 15.141 11.480 1.00 0.00 C ATOM 53 CG LEU A 4 92.543 16.044 10.270 1.00 0.00 C ATOM 54 CD1 LEU A 4 94.032 16.043 9.922 1.00 0.00 C ATOM 55 CD2 LEU A 4 91.741 15.521 9.076 1.00 0.00 C ATOM 0 H LEU A 4 94.587 15.001 13.671 1.00 0.00 H new ATOM 0 HA LEU A 4 93.457 16.686 12.502 1.00 0.00 H new ATOM 0 HB2 LEU A 4 92.788 14.177 11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 4 91.235 14.945 11.593 1.00 0.00 H new ATOM 0 HG LEU A 4 92.226 17.060 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 4 94.204 16.687 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 94.605 16.414 10.772 1.00 0.00 H new ATOM 0 HD13 LEU A 4 94.350 15.027 9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 4 91.913 16.164 8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 4 92.059 14.505 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 4 90.679 15.521 9.323 1.00 0.00 H new ATOM 67 N GLU A 5 91.324 17.547 13.498 1.00 0.00 N ATOM 68 CA GLU A 5 90.212 18.081 14.336 1.00 0.00 C ATOM 69 C GLU A 5 89.147 18.733 13.451 1.00 0.00 C ATOM 70 O GLU A 5 88.116 19.169 13.922 1.00 0.00 O ATOM 71 CB GLU A 5 90.867 19.123 15.244 1.00 0.00 C ATOM 72 CG GLU A 5 92.046 18.487 15.982 1.00 0.00 C ATOM 73 CD GLU A 5 91.745 18.442 17.482 1.00 0.00 C ATOM 74 OE1 GLU A 5 91.710 19.500 18.090 1.00 0.00 O ATOM 75 OE2 GLU A 5 91.554 17.352 17.995 1.00 0.00 O ATOM 0 H GLU A 5 91.738 18.216 12.848 1.00 0.00 H new ATOM 0 HA GLU A 5 89.713 17.298 14.907 1.00 0.00 H new ATOM 0 HB2 GLU A 5 91.210 19.972 14.653 1.00 0.00 H new ATOM 0 HB3 GLU A 5 90.140 19.506 15.960 1.00 0.00 H new ATOM 0 HG2 GLU A 5 92.224 17.480 15.606 1.00 0.00 H new ATOM 0 HG3 GLU A 5 92.955 19.060 15.800 1.00 0.00 H new ATOM 82 N ASP A 6 89.391 18.804 12.170 1.00 0.00 N ATOM 83 CA ASP A 6 88.394 19.427 11.254 1.00 0.00 C ATOM 84 C ASP A 6 86.996 18.862 11.527 1.00 0.00 C ATOM 85 O ASP A 6 86.837 17.955 12.320 1.00 0.00 O ATOM 86 CB ASP A 6 88.860 19.049 9.849 1.00 0.00 C ATOM 87 CG ASP A 6 89.748 20.161 9.288 1.00 0.00 C ATOM 88 OD1 ASP A 6 89.338 21.308 9.351 1.00 0.00 O ATOM 89 OD2 ASP A 6 90.824 19.846 8.804 1.00 0.00 O ATOM 0 H ASP A 6 90.238 18.457 11.719 1.00 0.00 H new ATOM 0 HA ASP A 6 88.330 20.507 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 6 89.411 18.109 9.878 1.00 0.00 H new ATOM 0 HB3 ASP A 6 87.999 18.894 9.199 1.00 0.00 H new ATOM 94 N PRO A 7 86.026 19.428 10.859 1.00 0.00 N ATOM 95 CA PRO A 7 84.621 18.987 11.028 1.00 0.00 C ATOM 96 C PRO A 7 84.324 17.746 10.177 1.00 0.00 C ATOM 97 O PRO A 7 83.195 17.501 9.800 1.00 0.00 O ATOM 98 CB PRO A 7 83.817 20.179 10.526 1.00 0.00 C ATOM 99 CG PRO A 7 84.720 20.900 9.569 1.00 0.00 C ATOM 100 CD PRO A 7 86.146 20.531 9.902 1.00 0.00 C ATOM 0 HA PRO A 7 84.388 18.708 12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 7 82.901 19.854 10.032 1.00 0.00 H new ATOM 0 HB3 PRO A 7 83.521 20.828 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 7 84.485 20.623 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 7 84.577 21.978 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.695 20.226 9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.684 21.375 10.334 1.00 0.00 H new ATOM 108 N CYS A 8 85.320 16.966 9.870 1.00 0.00 N ATOM 109 CA CYS A 8 85.086 15.748 9.044 1.00 0.00 C ATOM 110 C CYS A 8 85.677 14.518 9.736 1.00 0.00 C ATOM 111 O CYS A 8 86.000 13.532 9.104 1.00 0.00 O ATOM 112 CB CYS A 8 85.810 16.019 7.727 1.00 0.00 C ATOM 113 SG CYS A 8 84.607 16.491 6.460 1.00 0.00 S ATOM 0 H CYS A 8 86.288 17.118 10.155 1.00 0.00 H new ATOM 0 HA CYS A 8 84.025 15.549 8.894 1.00 0.00 H new ATOM 0 HB2 CYS A 8 86.544 16.814 7.860 1.00 0.00 H new ATOM 0 HB3 CYS A 8 86.357 15.130 7.411 1.00 0.00 H new ATOM 0 HG CYS A 8 85.225 16.724 5.340 1.00 0.00 H new ATOM 119 N THR A 9 85.823 14.570 11.032 1.00 0.00 N ATOM 120 CA THR A 9 86.392 13.413 11.766 1.00 0.00 C ATOM 121 C THR A 9 85.788 12.113 11.235 1.00 0.00 C ATOM 122 O THR A 9 86.418 11.076 11.238 1.00 0.00 O ATOM 123 CB THR A 9 85.998 13.635 13.228 1.00 0.00 C ATOM 124 OG1 THR A 9 84.904 14.539 13.290 1.00 0.00 O ATOM 125 CG2 THR A 9 87.187 14.215 13.996 1.00 0.00 C ATOM 0 H THR A 9 85.570 15.369 11.613 1.00 0.00 H new ATOM 0 HA THR A 9 87.473 13.335 11.648 1.00 0.00 H new ATOM 0 HB THR A 9 85.709 12.684 13.675 1.00 0.00 H new ATOM 0 HG1 THR A 9 84.649 14.681 14.226 1.00 0.00 H new ATOM 0 HG21 THR A 9 86.906 14.373 15.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 88.025 13.520 13.948 1.00 0.00 H new ATOM 0 HG23 THR A 9 87.479 15.166 13.551 1.00 0.00 H new ATOM 133 N SER A 10 84.570 12.170 10.774 1.00 0.00 N ATOM 134 CA SER A 10 83.915 10.942 10.233 1.00 0.00 C ATOM 135 C SER A 10 82.428 11.196 9.977 1.00 0.00 C ATOM 136 O SER A 10 81.582 10.406 10.346 1.00 0.00 O ATOM 137 CB SER A 10 84.095 9.878 11.315 1.00 0.00 C ATOM 138 OG SER A 10 83.138 8.845 11.120 1.00 0.00 O ATOM 0 H SER A 10 83.998 13.014 10.748 1.00 0.00 H new ATOM 0 HA SER A 10 84.352 10.635 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 10 85.104 9.468 11.274 1.00 0.00 H new ATOM 0 HB3 SER A 10 83.972 10.322 12.303 1.00 0.00 H new ATOM 0 HG SER A 10 82.235 9.214 11.212 1.00 0.00 H new ATOM 144 N LYS A 11 82.101 12.280 9.330 1.00 0.00 N ATOM 145 CA LYS A 11 80.664 12.562 9.033 1.00 0.00 C ATOM 146 C LYS A 11 80.408 12.385 7.537 1.00 0.00 C ATOM 147 O LYS A 11 79.691 11.495 7.125 1.00 0.00 O ATOM 148 CB LYS A 11 80.382 14.011 9.475 1.00 0.00 C ATOM 149 CG LYS A 11 81.655 14.868 9.439 1.00 0.00 C ATOM 150 CD LYS A 11 82.436 14.676 10.739 1.00 0.00 C ATOM 151 CE LYS A 11 81.900 15.635 11.804 1.00 0.00 C ATOM 152 NZ LYS A 11 81.188 14.767 12.781 1.00 0.00 N ATOM 0 H LYS A 11 82.761 12.981 8.994 1.00 0.00 H new ATOM 0 HA LYS A 11 80.005 11.876 9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.627 14.451 8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 79.970 14.011 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 11 82.272 14.585 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.395 15.919 9.310 1.00 0.00 H new ATOM 0 HD2 LYS A 11 82.343 13.646 11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 11 83.497 14.861 10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.710 16.186 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 81.227 16.373 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 81.310 15.151 13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 80.175 14.737 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 81.581 13.805 12.741 1.00 0.00 H new ATOM 166 N LYS A 12 81.000 13.206 6.715 1.00 0.00 N ATOM 167 CA LYS A 12 80.795 13.055 5.251 1.00 0.00 C ATOM 168 C LYS A 12 81.801 12.047 4.698 1.00 0.00 C ATOM 169 O LYS A 12 81.918 11.856 3.503 1.00 0.00 O ATOM 170 CB LYS A 12 81.035 14.445 4.663 1.00 0.00 C ATOM 171 CG LYS A 12 79.911 15.385 5.101 1.00 0.00 C ATOM 172 CD LYS A 12 79.832 16.573 4.142 1.00 0.00 C ATOM 173 CE LYS A 12 80.168 17.862 4.897 1.00 0.00 C ATOM 174 NZ LYS A 12 81.640 18.022 4.747 1.00 0.00 N ATOM 0 H LYS A 12 81.614 13.971 6.994 1.00 0.00 H new ATOM 0 HA LYS A 12 79.799 12.688 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 12 81.998 14.832 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 12 81.074 14.390 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 12 78.961 14.851 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 12 80.092 15.736 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 12 80.527 16.432 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 12 78.833 16.641 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 12 79.633 18.715 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 12 79.883 17.790 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 81.947 18.885 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 82.123 17.198 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 81.880 18.094 3.738 1.00 0.00 H new ATOM 188 N VAL A 13 82.519 11.390 5.566 1.00 0.00 N ATOM 189 CA VAL A 13 83.509 10.380 5.107 1.00 0.00 C ATOM 190 C VAL A 13 82.922 8.980 5.285 1.00 0.00 C ATOM 191 O VAL A 13 83.351 8.029 4.662 1.00 0.00 O ATOM 192 CB VAL A 13 84.728 10.578 6.010 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.626 9.341 5.938 1.00 0.00 C ATOM 194 CG2 VAL A 13 85.515 11.804 5.541 1.00 0.00 C ATOM 0 H VAL A 13 82.461 11.511 6.577 1.00 0.00 H new ATOM 0 HA VAL A 13 83.771 10.491 4.055 1.00 0.00 H new ATOM 0 HB VAL A 13 84.397 10.727 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 13 86.494 9.484 6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.067 8.466 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.957 9.191 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 13 86.384 11.946 6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 13 85.845 11.653 4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 13 84.878 12.687 5.592 1.00 0.00 H new ATOM 204 N ARG A 14 81.936 8.851 6.132 1.00 0.00 N ATOM 205 CA ARG A 14 81.312 7.516 6.350 1.00 0.00 C ATOM 206 C ARG A 14 80.258 7.249 5.273 1.00 0.00 C ATOM 207 O ARG A 14 79.966 6.116 4.945 1.00 0.00 O ATOM 208 CB ARG A 14 80.660 7.603 7.730 1.00 0.00 C ATOM 209 CG ARG A 14 79.410 8.482 7.651 1.00 0.00 C ATOM 210 CD ARG A 14 78.943 8.834 9.065 1.00 0.00 C ATOM 211 NE ARG A 14 77.886 9.865 8.873 1.00 0.00 N ATOM 212 CZ ARG A 14 77.479 10.579 9.888 1.00 0.00 C ATOM 213 NH1 ARG A 14 77.509 10.076 11.092 1.00 0.00 N ATOM 214 NH2 ARG A 14 77.042 11.793 9.699 1.00 0.00 N ATOM 0 H ARG A 14 81.537 9.612 6.681 1.00 0.00 H new ATOM 0 HA ARG A 14 82.038 6.705 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.395 6.606 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.364 8.018 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 14 79.627 9.392 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 14 78.618 7.959 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 14 78.551 7.958 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 14 79.765 9.219 9.669 1.00 0.00 H new ATOM 0 HE ARG A 14 77.480 10.014 7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 14 77.850 9.126 11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 14 77.191 10.633 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 14 77.018 12.186 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 14 76.724 12.350 10.492 1.00 0.00 H new ATOM 228 N ALA A 15 79.684 8.284 4.719 1.00 0.00 N ATOM 229 CA ALA A 15 78.652 8.086 3.666 1.00 0.00 C ATOM 230 C ALA A 15 79.294 7.539 2.388 1.00 0.00 C ATOM 231 O ALA A 15 78.679 6.815 1.631 1.00 0.00 O ATOM 232 CB ALA A 15 78.065 9.475 3.416 1.00 0.00 C ATOM 0 H ALA A 15 79.887 9.256 4.952 1.00 0.00 H new ATOM 0 HA ALA A 15 77.889 7.369 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.294 9.411 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.628 9.857 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.854 10.149 3.082 1.00 0.00 H new ATOM 238 N ALA A 16 80.526 7.887 2.140 1.00 0.00 N ATOM 239 CA ALA A 16 81.208 7.395 0.907 1.00 0.00 C ATOM 240 C ALA A 16 81.248 5.868 0.888 1.00 0.00 C ATOM 241 O ALA A 16 80.985 5.243 -0.121 1.00 0.00 O ATOM 242 CB ALA A 16 82.622 7.970 0.978 1.00 0.00 C ATOM 0 H ALA A 16 81.091 8.491 2.737 1.00 0.00 H new ATOM 0 HA ALA A 16 80.687 7.704 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.189 7.652 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.571 9.059 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.116 7.610 1.881 1.00 0.00 H new ATOM 248 N ARG A 17 81.569 5.260 1.991 1.00 0.00 N ATOM 249 CA ARG A 17 81.620 3.772 2.032 1.00 0.00 C ATOM 250 C ARG A 17 80.239 3.212 2.375 1.00 0.00 C ATOM 251 O ARG A 17 80.109 2.106 2.862 1.00 0.00 O ATOM 252 CB ARG A 17 82.627 3.435 3.132 1.00 0.00 C ATOM 253 CG ARG A 17 82.136 4.001 4.464 1.00 0.00 C ATOM 254 CD ARG A 17 83.198 4.940 5.041 1.00 0.00 C ATOM 255 NE ARG A 17 83.222 4.642 6.499 1.00 0.00 N ATOM 256 CZ ARG A 17 84.008 3.708 6.961 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.243 3.992 7.276 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.560 2.492 7.109 1.00 0.00 N ATOM 0 H ARG A 17 81.799 5.727 2.868 1.00 0.00 H new ATOM 0 HA ARG A 17 81.911 3.341 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.751 2.355 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.604 3.852 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.199 4.539 4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.933 3.190 5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.172 4.762 4.585 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.945 5.984 4.855 1.00 0.00 H new ATOM 0 HE ARG A 17 82.624 5.168 7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.593 4.943 7.161 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.858 3.263 7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 17 82.595 2.271 6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 17 84.175 1.762 7.470 1.00 0.00 H new ATOM 272 N THR A 18 79.205 3.969 2.129 1.00 0.00 N ATOM 273 CA THR A 18 77.833 3.480 2.446 1.00 0.00 C ATOM 274 C THR A 18 76.910 3.647 1.235 1.00 0.00 C ATOM 275 O THR A 18 76.953 4.642 0.540 1.00 0.00 O ATOM 276 CB THR A 18 77.359 4.357 3.605 1.00 0.00 C ATOM 277 OG1 THR A 18 78.337 4.342 4.636 1.00 0.00 O ATOM 278 CG2 THR A 18 76.034 3.820 4.146 1.00 0.00 C ATOM 0 H THR A 18 79.250 4.904 1.723 1.00 0.00 H new ATOM 0 HA THR A 18 77.825 2.421 2.703 1.00 0.00 H new ATOM 0 HB THR A 18 77.215 5.379 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.957 5.090 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.698 4.446 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.286 3.832 3.353 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.172 2.798 4.499 1.00 0.00 H new ATOM 286 N LEU A 19 76.071 2.679 0.986 1.00 0.00 N ATOM 287 CA LEU A 19 75.135 2.775 -0.172 1.00 0.00 C ATOM 288 C LEU A 19 73.820 2.071 0.162 1.00 0.00 C ATOM 289 O LEU A 19 73.746 1.270 1.072 1.00 0.00 O ATOM 290 CB LEU A 19 75.841 2.073 -1.334 1.00 0.00 C ATOM 291 CG LEU A 19 76.408 0.733 -0.869 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.631 -0.406 -1.531 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.882 0.644 -1.271 1.00 0.00 C ATOM 0 H LEU A 19 75.993 1.823 1.536 1.00 0.00 H new ATOM 0 HA LEU A 19 74.895 3.809 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.140 1.916 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.644 2.703 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 19 76.317 0.652 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.035 -1.363 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.580 -0.340 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.724 -0.328 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.292 -0.311 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.969 0.722 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.436 1.458 -0.803 1.00 0.00 H new ATOM 305 N LEU A 20 72.781 2.370 -0.563 1.00 0.00 N ATOM 306 CA LEU A 20 71.467 1.722 -0.284 1.00 0.00 C ATOM 307 C LEU A 20 71.110 0.727 -1.392 1.00 0.00 C ATOM 308 O LEU A 20 70.985 1.088 -2.545 1.00 0.00 O ATOM 309 CB LEU A 20 70.457 2.872 -0.256 1.00 0.00 C ATOM 310 CG LEU A 20 69.109 2.357 0.249 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.978 2.647 1.746 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.981 3.065 -0.505 1.00 0.00 C ATOM 0 H LEU A 20 72.782 3.034 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 20 71.479 1.161 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.818 3.671 0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.345 3.296 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 20 69.045 1.282 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.017 2.280 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.782 2.147 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.042 3.722 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.019 2.700 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.048 4.139 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.072 2.861 -1.572 1.00 0.00 H new ATOM 324 N ALA A 21 70.934 -0.521 -1.053 1.00 0.00 N ATOM 325 CA ALA A 21 70.573 -1.526 -2.093 1.00 0.00 C ATOM 326 C ALA A 21 69.101 -1.360 -2.473 1.00 0.00 C ATOM 327 O ALA A 21 68.265 -1.084 -1.637 1.00 0.00 O ATOM 328 CB ALA A 21 70.810 -2.886 -1.435 1.00 0.00 C ATOM 0 H ALA A 21 71.024 -0.887 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 21 71.159 -1.416 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.565 -3.679 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.856 -2.971 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.177 -2.978 -0.552 1.00 0.00 H new ATOM 334 N LYS A 22 68.774 -1.520 -3.725 1.00 0.00 N ATOM 335 CA LYS A 22 67.351 -1.361 -4.140 1.00 0.00 C ATOM 336 C LYS A 22 66.960 -2.456 -5.132 1.00 0.00 C ATOM 337 O LYS A 22 67.795 -3.175 -5.642 1.00 0.00 O ATOM 338 CB LYS A 22 67.283 0.014 -4.804 1.00 0.00 C ATOM 339 CG LYS A 22 67.100 1.090 -3.731 1.00 0.00 C ATOM 340 CD LYS A 22 66.442 2.323 -4.351 1.00 0.00 C ATOM 341 CE LYS A 22 65.000 2.439 -3.850 1.00 0.00 C ATOM 342 NZ LYS A 22 65.088 3.263 -2.614 1.00 0.00 N ATOM 0 H LYS A 22 69.425 -1.752 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 22 66.665 -1.441 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.195 0.202 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.455 0.047 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 22 66.484 0.706 -2.918 1.00 0.00 H new ATOM 0 HG3 LYS A 22 68.065 1.357 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 22 67.003 3.219 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 22 66.455 2.247 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.360 2.912 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.574 1.458 -3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.137 3.387 -2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.698 2.785 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.490 4.194 -2.845 1.00 0.00 H new ATOM 356 N ASN A 23 65.693 -2.586 -5.407 1.00 0.00 N ATOM 357 CA ASN A 23 65.241 -3.634 -6.366 1.00 0.00 C ATOM 358 C ASN A 23 65.515 -5.028 -5.796 1.00 0.00 C ATOM 359 O ASN A 23 65.435 -6.020 -6.493 1.00 0.00 O ATOM 360 CB ASN A 23 66.067 -3.397 -7.630 1.00 0.00 C ATOM 361 CG ASN A 23 65.349 -4.015 -8.830 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.686 -3.323 -9.579 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.451 -5.297 -9.047 1.00 0.00 N ATOM 0 H ASN A 23 64.949 -2.012 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 23 64.170 -3.579 -6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.210 -2.328 -7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.057 -3.838 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.975 -5.719 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.007 -5.878 -8.419 1.00 0.00 H new ATOM 370 N LEU A 24 65.833 -5.110 -4.534 1.00 0.00 N ATOM 371 CA LEU A 24 66.106 -6.442 -3.922 1.00 0.00 C ATOM 372 C LEU A 24 64.880 -7.346 -4.076 1.00 0.00 C ATOM 373 O LEU A 24 64.009 -7.093 -4.885 1.00 0.00 O ATOM 374 CB LEU A 24 66.378 -6.156 -2.445 1.00 0.00 C ATOM 375 CG LEU A 24 67.876 -5.936 -2.230 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.648 -7.147 -2.755 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.320 -4.682 -2.985 1.00 0.00 C ATOM 0 H LEU A 24 65.916 -4.315 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 24 66.945 -6.952 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.822 -5.274 -2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.032 -6.989 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 24 68.077 -5.810 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.716 -6.992 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.331 -8.041 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.448 -7.273 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.388 -4.524 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.120 -4.808 -4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.769 -3.819 -2.612 1.00 0.00 H new ATOM 389 N SER A 25 64.801 -8.393 -3.304 1.00 0.00 N ATOM 390 CA SER A 25 63.626 -9.303 -3.407 1.00 0.00 C ATOM 391 C SER A 25 62.814 -9.252 -2.113 1.00 0.00 C ATOM 392 O SER A 25 63.047 -8.422 -1.256 1.00 0.00 O ATOM 393 CB SER A 25 64.220 -10.696 -3.615 1.00 0.00 C ATOM 394 OG SER A 25 63.195 -11.671 -3.465 1.00 0.00 O ATOM 0 H SER A 25 65.497 -8.658 -2.607 1.00 0.00 H new ATOM 0 HA SER A 25 62.953 -9.025 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.665 -10.770 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 25 65.017 -10.876 -2.894 1.00 0.00 H new ATOM 0 HG SER A 25 63.588 -12.568 -3.504 1.00 0.00 H new ATOM 400 N PHE A 26 61.863 -10.130 -1.960 1.00 0.00 N ATOM 401 CA PHE A 26 61.041 -10.126 -0.723 1.00 0.00 C ATOM 402 C PHE A 26 61.614 -11.119 0.290 1.00 0.00 C ATOM 403 O PHE A 26 61.462 -10.963 1.485 1.00 0.00 O ATOM 404 CB PHE A 26 59.652 -10.561 -1.182 1.00 0.00 C ATOM 405 CG PHE A 26 58.752 -9.352 -1.260 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.100 -8.275 -2.083 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.572 -9.307 -0.509 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.268 -7.152 -2.157 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.739 -8.184 -0.583 1.00 0.00 C ATOM 410 CZ PHE A 26 57.086 -7.107 -1.407 1.00 0.00 C ATOM 0 H PHE A 26 61.621 -10.850 -2.640 1.00 0.00 H new ATOM 0 HA PHE A 26 61.022 -9.153 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.714 -11.046 -2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.239 -11.292 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.011 -8.310 -2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.304 -10.138 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.537 -6.321 -2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.828 -8.149 -0.004 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.442 -6.242 -1.464 1.00 0.00 H new ATOM 420 N ASN A 27 62.275 -12.141 -0.181 1.00 0.00 N ATOM 421 CA ASN A 27 62.860 -13.144 0.745 1.00 0.00 C ATOM 422 C ASN A 27 64.341 -12.843 0.987 1.00 0.00 C ATOM 423 O ASN A 27 64.972 -13.432 1.842 1.00 0.00 O ATOM 424 CB ASN A 27 62.695 -14.485 0.030 1.00 0.00 C ATOM 425 CG ASN A 27 62.746 -15.619 1.055 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.815 -15.814 1.811 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.804 -16.382 1.114 1.00 0.00 N ATOM 0 H ASN A 27 62.434 -12.323 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 27 62.373 -13.139 1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.747 -14.509 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.484 -14.614 -0.711 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.848 -17.141 1.794 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.586 -16.219 0.480 1.00 0.00 H new ATOM 434 N ILE A 28 64.901 -11.929 0.240 1.00 0.00 N ATOM 435 CA ILE A 28 66.343 -11.595 0.426 1.00 0.00 C ATOM 436 C ILE A 28 66.575 -11.018 1.824 1.00 0.00 C ATOM 437 O ILE A 28 65.684 -10.461 2.434 1.00 0.00 O ATOM 438 CB ILE A 28 66.650 -10.548 -0.645 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.125 -10.144 -0.561 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.774 -9.316 -0.424 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.923 -10.898 -1.626 1.00 0.00 C ATOM 0 H ILE A 28 64.423 -11.400 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 28 66.985 -12.471 0.334 1.00 0.00 H new ATOM 0 HB ILE A 28 66.444 -10.969 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.227 -9.069 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.519 -10.369 0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 28 65.994 -8.571 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.724 -9.600 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.978 -8.896 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.973 -10.610 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.831 -11.971 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.535 -10.651 -2.614 1.00 0.00 H new ATOM 453 N THR A 29 67.767 -11.151 2.334 1.00 0.00 N ATOM 454 CA THR A 29 68.062 -10.615 3.692 1.00 0.00 C ATOM 455 C THR A 29 69.554 -10.297 3.824 1.00 0.00 C ATOM 456 O THR A 29 70.317 -10.448 2.889 1.00 0.00 O ATOM 457 CB THR A 29 67.669 -11.739 4.653 1.00 0.00 C ATOM 458 OG1 THR A 29 68.530 -12.851 4.450 1.00 0.00 O ATOM 459 CG2 THR A 29 66.221 -12.158 4.391 1.00 0.00 C ATOM 0 H THR A 29 68.551 -11.608 1.869 1.00 0.00 H new ATOM 0 HA THR A 29 67.521 -9.691 3.898 1.00 0.00 H new ATOM 0 HB THR A 29 67.760 -11.388 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.283 -13.573 5.065 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.944 -12.959 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.562 -11.304 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.124 -12.510 3.364 1.00 0.00 H new ATOM 467 N GLU A 30 69.977 -9.863 4.980 1.00 0.00 N ATOM 468 CA GLU A 30 71.418 -9.544 5.170 1.00 0.00 C ATOM 469 C GLU A 30 72.272 -10.722 4.699 1.00 0.00 C ATOM 470 O GLU A 30 73.407 -10.560 4.299 1.00 0.00 O ATOM 471 CB GLU A 30 71.581 -9.321 6.673 1.00 0.00 C ATOM 472 CG GLU A 30 72.112 -7.910 6.926 1.00 0.00 C ATOM 473 CD GLU A 30 72.764 -7.848 8.309 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.048 -7.616 9.269 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.968 -8.033 8.383 1.00 0.00 O ATOM 0 H GLU A 30 69.387 -9.716 5.799 1.00 0.00 H new ATOM 0 HA GLU A 30 71.734 -8.671 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.624 -9.456 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.267 -10.059 7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.837 -7.640 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.298 -7.188 6.864 1.00 0.00 H new ATOM 482 N ASP A 31 71.727 -11.908 4.737 1.00 0.00 N ATOM 483 CA ASP A 31 72.500 -13.097 4.280 1.00 0.00 C ATOM 484 C ASP A 31 72.833 -12.949 2.797 1.00 0.00 C ATOM 485 O ASP A 31 73.982 -12.906 2.406 1.00 0.00 O ATOM 486 CB ASP A 31 71.573 -14.290 4.511 1.00 0.00 C ATOM 487 CG ASP A 31 71.629 -14.703 5.983 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.676 -14.535 6.586 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.623 -15.180 6.482 1.00 0.00 O ATOM 0 H ASP A 31 70.781 -12.104 5.064 1.00 0.00 H new ATOM 0 HA ASP A 31 73.443 -13.216 4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.552 -14.029 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.872 -15.124 3.877 1.00 0.00 H new ATOM 494 N GLU A 32 71.830 -12.857 1.970 1.00 0.00 N ATOM 495 CA GLU A 32 72.081 -12.694 0.511 1.00 0.00 C ATOM 496 C GLU A 32 72.863 -11.404 0.272 1.00 0.00 C ATOM 497 O GLU A 32 73.734 -11.331 -0.576 1.00 0.00 O ATOM 498 CB GLU A 32 70.693 -12.611 -0.127 1.00 0.00 C ATOM 499 CG GLU A 32 70.026 -13.986 -0.080 1.00 0.00 C ATOM 500 CD GLU A 32 69.257 -14.135 1.235 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.897 -14.344 2.252 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.041 -14.038 1.202 1.00 0.00 O ATOM 0 H GLU A 32 70.847 -12.888 2.241 1.00 0.00 H new ATOM 0 HA GLU A 32 72.665 -13.512 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.081 -11.880 0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.775 -12.270 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.348 -14.102 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.778 -14.770 -0.165 1.00 0.00 H new ATOM 509 N LEU A 33 72.575 -10.391 1.040 1.00 0.00 N ATOM 510 CA LEU A 33 73.311 -9.113 0.884 1.00 0.00 C ATOM 511 C LEU A 33 74.729 -9.323 1.391 1.00 0.00 C ATOM 512 O LEU A 33 75.682 -8.783 0.863 1.00 0.00 O ATOM 513 CB LEU A 33 72.563 -8.105 1.757 1.00 0.00 C ATOM 514 CG LEU A 33 71.165 -7.872 1.181 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.153 -7.758 2.323 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.160 -6.576 0.367 1.00 0.00 C ATOM 0 H LEU A 33 71.861 -10.396 1.768 1.00 0.00 H new ATOM 0 HA LEU A 33 73.365 -8.765 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.490 -8.476 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.113 -7.165 1.798 1.00 0.00 H new ATOM 0 HG LEU A 33 70.894 -8.709 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.157 -7.592 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.156 -8.679 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.424 -6.921 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.165 -6.408 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.432 -5.740 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.880 -6.655 -0.447 1.00 0.00 H new ATOM 528 N LYS A 34 74.873 -10.129 2.405 1.00 0.00 N ATOM 529 CA LYS A 34 76.226 -10.402 2.940 1.00 0.00 C ATOM 530 C LYS A 34 76.962 -11.318 1.969 1.00 0.00 C ATOM 531 O LYS A 34 78.176 -11.352 1.914 1.00 0.00 O ATOM 532 CB LYS A 34 76.000 -11.092 4.286 1.00 0.00 C ATOM 533 CG LYS A 34 77.286 -11.794 4.725 1.00 0.00 C ATOM 534 CD LYS A 34 77.237 -13.264 4.303 1.00 0.00 C ATOM 535 CE LYS A 34 78.659 -13.819 4.215 1.00 0.00 C ATOM 536 NZ LYS A 34 78.806 -14.691 5.414 1.00 0.00 N ATOM 0 H LYS A 34 74.110 -10.608 2.883 1.00 0.00 H new ATOM 0 HA LYS A 34 76.827 -9.501 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.699 -10.360 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.189 -11.815 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.151 -11.305 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.403 -11.719 5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.655 -13.840 5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.738 -13.360 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.806 -14.385 3.295 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.397 -13.017 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.758 -15.109 5.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 78.668 -14.124 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.095 -15.449 5.381 1.00 0.00 H new ATOM 550 N GLU A 35 76.219 -12.045 1.190 1.00 0.00 N ATOM 551 CA GLU A 35 76.836 -12.953 0.192 1.00 0.00 C ATOM 552 C GLU A 35 77.230 -12.146 -1.042 1.00 0.00 C ATOM 553 O GLU A 35 78.239 -12.397 -1.670 1.00 0.00 O ATOM 554 CB GLU A 35 75.746 -13.970 -0.153 1.00 0.00 C ATOM 555 CG GLU A 35 76.364 -15.366 -0.255 1.00 0.00 C ATOM 556 CD GLU A 35 76.992 -15.547 -1.637 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.589 -14.840 -2.547 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.866 -16.389 -1.764 1.00 0.00 O ATOM 0 H GLU A 35 75.199 -12.049 1.202 1.00 0.00 H new ATOM 0 HA GLU A 35 77.734 -13.445 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 35 74.969 -13.960 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.269 -13.702 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.120 -15.498 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 35 75.601 -16.126 -0.089 1.00 0.00 H new ATOM 565 N VAL A 36 76.443 -11.160 -1.381 1.00 0.00 N ATOM 566 CA VAL A 36 76.771 -10.315 -2.560 1.00 0.00 C ATOM 567 C VAL A 36 77.712 -9.192 -2.128 1.00 0.00 C ATOM 568 O VAL A 36 78.646 -8.844 -2.824 1.00 0.00 O ATOM 569 CB VAL A 36 75.429 -9.746 -3.027 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.666 -8.525 -3.917 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.672 -10.813 -3.822 1.00 0.00 C ATOM 0 H VAL A 36 75.586 -10.905 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 36 77.268 -10.871 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 36 74.842 -9.451 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.708 -8.124 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.204 -7.763 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.255 -8.817 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.716 -10.409 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.263 -11.108 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.497 -11.683 -3.189 1.00 0.00 H new ATOM 581 N PHE A 37 77.470 -8.623 -0.980 1.00 0.00 N ATOM 582 CA PHE A 37 78.334 -7.528 -0.491 1.00 0.00 C ATOM 583 C PHE A 37 79.281 -8.046 0.596 1.00 0.00 C ATOM 584 O PHE A 37 79.400 -7.467 1.658 1.00 0.00 O ATOM 585 CB PHE A 37 77.353 -6.515 0.089 1.00 0.00 C ATOM 586 CG PHE A 37 76.404 -6.055 -0.992 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.899 -5.395 -2.123 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.029 -6.290 -0.864 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.019 -4.972 -3.127 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.150 -5.866 -1.867 1.00 0.00 C ATOM 591 CZ PHE A 37 74.645 -5.207 -2.999 1.00 0.00 C ATOM 0 H PHE A 37 76.702 -8.877 -0.358 1.00 0.00 H new ATOM 0 HA PHE A 37 78.962 -7.101 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 37 76.795 -6.963 0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 37 77.894 -5.662 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.959 -5.212 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.647 -6.799 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.401 -4.464 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.090 -6.047 -1.768 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.967 -4.880 -3.773 1.00 0.00 H new ATOM 601 N GLU A 38 79.953 -9.136 0.342 1.00 0.00 N ATOM 602 CA GLU A 38 80.886 -9.695 1.363 1.00 0.00 C ATOM 603 C GLU A 38 82.104 -8.783 1.534 1.00 0.00 C ATOM 604 O GLU A 38 82.949 -9.015 2.375 1.00 0.00 O ATOM 605 CB GLU A 38 81.311 -11.056 0.809 1.00 0.00 C ATOM 606 CG GLU A 38 81.788 -10.892 -0.636 1.00 0.00 C ATOM 607 CD GLU A 38 80.958 -11.793 -1.552 1.00 0.00 C ATOM 608 OE1 GLU A 38 80.631 -12.890 -1.133 1.00 0.00 O ATOM 609 OE2 GLU A 38 80.665 -11.369 -2.658 1.00 0.00 O ATOM 0 H GLU A 38 79.896 -9.664 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 38 80.416 -9.779 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.109 -11.477 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.475 -11.755 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.691 -9.852 -0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.844 -11.151 -0.713 1.00 0.00 H new ATOM 616 N ASP A 39 82.202 -7.748 0.745 1.00 0.00 N ATOM 617 CA ASP A 39 83.368 -6.828 0.869 1.00 0.00 C ATOM 618 C ASP A 39 82.985 -5.589 1.681 1.00 0.00 C ATOM 619 O ASP A 39 83.666 -4.584 1.653 1.00 0.00 O ATOM 620 CB ASP A 39 83.724 -6.441 -0.568 1.00 0.00 C ATOM 621 CG ASP A 39 85.244 -6.365 -0.716 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.883 -5.844 0.184 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.746 -6.831 -1.726 1.00 0.00 O ATOM 0 H ASP A 39 81.527 -7.500 0.022 1.00 0.00 H new ATOM 0 HA ASP A 39 84.207 -7.295 1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.317 -7.174 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.275 -5.480 -0.818 1.00 0.00 H new ATOM 628 N ALA A 40 81.900 -5.651 2.404 1.00 0.00 N ATOM 629 CA ALA A 40 81.484 -4.470 3.212 1.00 0.00 C ATOM 630 C ALA A 40 81.461 -4.825 4.702 1.00 0.00 C ATOM 631 O ALA A 40 81.716 -5.948 5.087 1.00 0.00 O ATOM 632 CB ALA A 40 80.075 -4.131 2.722 1.00 0.00 C ATOM 0 H ALA A 40 81.287 -6.463 2.470 1.00 0.00 H new ATOM 0 HA ALA A 40 82.170 -3.631 3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.697 -3.268 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.106 -3.899 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.417 -4.984 2.888 1.00 0.00 H new ATOM 638 N LEU A 41 81.153 -3.874 5.545 1.00 0.00 N ATOM 639 CA LEU A 41 81.110 -4.156 7.003 1.00 0.00 C ATOM 640 C LEU A 41 79.797 -4.850 7.358 1.00 0.00 C ATOM 641 O LEU A 41 79.774 -5.872 8.013 1.00 0.00 O ATOM 642 CB LEU A 41 81.174 -2.789 7.688 1.00 0.00 C ATOM 643 CG LEU A 41 82.316 -1.961 7.105 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.089 -0.486 7.445 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.642 -2.426 7.711 1.00 0.00 C ATOM 0 H LEU A 41 80.930 -2.914 5.282 1.00 0.00 H new ATOM 0 HA LEU A 41 81.927 -4.807 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.229 -2.263 7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.319 -2.918 8.761 1.00 0.00 H new ATOM 0 HG LEU A 41 82.348 -2.088 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.901 0.112 7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.142 -0.156 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.062 -0.362 8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.459 -1.836 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.613 -2.295 8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.800 -3.479 7.477 1.00 0.00 H new ATOM 657 N GLU A 42 78.702 -4.287 6.929 1.00 0.00 N ATOM 658 CA GLU A 42 77.377 -4.893 7.238 1.00 0.00 C ATOM 659 C GLU A 42 76.329 -4.398 6.244 1.00 0.00 C ATOM 660 O GLU A 42 76.575 -3.510 5.449 1.00 0.00 O ATOM 661 CB GLU A 42 77.042 -4.416 8.652 1.00 0.00 C ATOM 662 CG GLU A 42 77.950 -5.125 9.658 1.00 0.00 C ATOM 663 CD GLU A 42 77.271 -5.155 11.029 1.00 0.00 C ATOM 664 OE1 GLU A 42 77.473 -4.222 11.788 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.561 -6.110 11.296 1.00 0.00 O ATOM 0 H GLU A 42 78.668 -3.431 6.376 1.00 0.00 H new ATOM 0 HA GLU A 42 77.393 -5.981 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.175 -3.337 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 42 75.997 -4.625 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.159 -6.141 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.907 -4.609 9.726 1.00 0.00 H new ATOM 672 N ILE A 43 75.163 -4.970 6.280 1.00 0.00 N ATOM 673 CA ILE A 43 74.100 -4.538 5.335 1.00 0.00 C ATOM 674 C ILE A 43 72.769 -4.364 6.063 1.00 0.00 C ATOM 675 O ILE A 43 72.479 -5.041 7.030 1.00 0.00 O ATOM 676 CB ILE A 43 74.007 -5.662 4.309 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.260 -5.644 3.435 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.769 -5.460 3.434 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.466 -7.023 2.813 1.00 0.00 C ATOM 0 H ILE A 43 74.899 -5.717 6.922 1.00 0.00 H new ATOM 0 HA ILE A 43 74.329 -3.578 4.873 1.00 0.00 H new ATOM 0 HB ILE A 43 73.929 -6.621 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.160 -4.892 2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.129 -5.369 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.706 -6.265 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.876 -5.467 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.842 -4.504 2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.360 -7.011 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.585 -7.764 3.603 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.601 -7.279 2.202 1.00 0.00 H new ATOM 691 N ARG A 44 71.962 -3.459 5.598 1.00 0.00 N ATOM 692 CA ARG A 44 70.643 -3.220 6.240 1.00 0.00 C ATOM 693 C ARG A 44 69.520 -3.514 5.242 1.00 0.00 C ATOM 694 O ARG A 44 69.739 -3.563 4.047 1.00 0.00 O ATOM 695 CB ARG A 44 70.665 -1.741 6.618 1.00 0.00 C ATOM 696 CG ARG A 44 70.913 -1.607 8.119 1.00 0.00 C ATOM 697 CD ARG A 44 69.826 -0.726 8.742 1.00 0.00 C ATOM 698 NE ARG A 44 69.362 -1.480 9.940 1.00 0.00 N ATOM 699 CZ ARG A 44 68.110 -1.422 10.303 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.449 -0.302 10.191 1.00 0.00 N ATOM 701 NH2 ARG A 44 67.518 -2.483 10.780 1.00 0.00 N ATOM 0 H ARG A 44 72.161 -2.867 4.791 1.00 0.00 H new ATOM 0 HA ARG A 44 70.469 -3.858 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.446 -1.223 6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.718 -1.271 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 44 70.911 -2.591 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.896 -1.171 8.298 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.220 0.252 9.019 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.008 -0.553 8.042 1.00 0.00 H new ATOM 0 HE ARG A 44 70.023 -2.042 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 44 67.911 0.528 9.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.470 -0.257 10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 44 68.034 -3.358 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 44 66.539 -2.437 11.064 1.00 0.00 H new ATOM 715 N LEU A 45 68.323 -3.716 5.717 1.00 0.00 N ATOM 716 CA LEU A 45 67.195 -4.013 4.788 1.00 0.00 C ATOM 717 C LEU A 45 66.162 -2.888 4.837 1.00 0.00 C ATOM 718 O LEU A 45 65.950 -2.270 5.861 1.00 0.00 O ATOM 719 CB LEU A 45 66.593 -5.321 5.306 1.00 0.00 C ATOM 720 CG LEU A 45 65.714 -5.952 4.223 1.00 0.00 C ATOM 721 CD1 LEU A 45 64.460 -5.101 4.019 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.495 -6.030 2.909 1.00 0.00 C ATOM 0 H LEU A 45 68.076 -3.689 6.706 1.00 0.00 H new ATOM 0 HA LEU A 45 67.521 -4.097 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.388 -6.011 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 66.002 -5.130 6.202 1.00 0.00 H new ATOM 0 HG LEU A 45 65.425 -6.956 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 45 63.836 -5.552 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 63.901 -5.047 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.748 -4.096 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.868 -6.479 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 45 66.787 -5.027 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 45 67.387 -6.640 3.052 1.00 0.00 H new ATOM 734 N VAL A 46 65.517 -2.613 3.737 1.00 0.00 N ATOM 735 CA VAL A 46 64.502 -1.525 3.726 1.00 0.00 C ATOM 736 C VAL A 46 63.298 -1.913 2.862 1.00 0.00 C ATOM 737 O VAL A 46 63.435 -2.350 1.728 1.00 0.00 O ATOM 738 CB VAL A 46 65.224 -0.315 3.139 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.228 0.828 2.941 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.327 0.129 4.101 1.00 0.00 C ATOM 0 H VAL A 46 65.649 -3.094 2.847 1.00 0.00 H new ATOM 0 HA VAL A 46 64.111 -1.322 4.723 1.00 0.00 H new ATOM 0 HB VAL A 46 65.663 -0.582 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.744 1.692 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.440 0.510 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.789 1.098 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.846 0.993 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.886 0.397 5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.036 -0.686 4.242 1.00 0.00 H new ATOM 750 N SER A 47 62.119 -1.751 3.402 1.00 0.00 N ATOM 751 CA SER A 47 60.884 -2.098 2.648 1.00 0.00 C ATOM 752 C SER A 47 59.954 -0.881 2.575 1.00 0.00 C ATOM 753 O SER A 47 60.390 0.230 2.349 1.00 0.00 O ATOM 754 CB SER A 47 60.239 -3.223 3.457 1.00 0.00 C ATOM 755 OG SER A 47 61.257 -4.070 3.974 1.00 0.00 O ATOM 0 H SER A 47 61.960 -1.389 4.342 1.00 0.00 H new ATOM 0 HA SER A 47 61.090 -2.400 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.646 -2.807 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.558 -3.796 2.827 1.00 0.00 H new ATOM 0 HG SER A 47 60.848 -4.792 4.495 1.00 0.00 H new ATOM 761 N GLN A 48 58.676 -1.079 2.765 1.00 0.00 N ATOM 762 CA GLN A 48 57.727 0.071 2.704 1.00 0.00 C ATOM 763 C GLN A 48 57.147 0.358 4.092 1.00 0.00 C ATOM 764 O GLN A 48 55.956 0.535 4.252 1.00 0.00 O ATOM 765 CB GLN A 48 56.624 -0.377 1.745 1.00 0.00 C ATOM 766 CG GLN A 48 55.983 0.849 1.093 1.00 0.00 C ATOM 767 CD GLN A 48 54.625 0.463 0.503 1.00 0.00 C ATOM 768 OE1 GLN A 48 53.761 1.302 0.339 1.00 0.00 O ATOM 769 NE2 GLN A 48 54.398 -0.780 0.178 1.00 0.00 N ATOM 0 H GLN A 48 58.249 -1.985 2.959 1.00 0.00 H new ATOM 0 HA GLN A 48 58.213 0.988 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 48 57.038 -1.034 0.980 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.870 -0.951 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.859 1.643 1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.633 1.240 0.310 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.123 -1.484 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 48 53.495 -1.048 -0.214 1.00 0.00 H new ATOM 778 N ASP A 49 57.979 0.408 5.097 1.00 0.00 N ATOM 779 CA ASP A 49 57.472 0.685 6.473 1.00 0.00 C ATOM 780 C ASP A 49 56.556 -0.450 6.940 1.00 0.00 C ATOM 781 O ASP A 49 55.899 -0.351 7.957 1.00 0.00 O ATOM 782 CB ASP A 49 56.687 1.991 6.350 1.00 0.00 C ATOM 783 CG ASP A 49 57.078 2.932 7.491 1.00 0.00 C ATOM 784 OD1 ASP A 49 58.125 3.549 7.392 1.00 0.00 O ATOM 785 OD2 ASP A 49 56.323 3.019 8.445 1.00 0.00 O ATOM 0 H ASP A 49 58.987 0.269 5.026 1.00 0.00 H new ATOM 0 HA ASP A 49 58.279 0.761 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 56.893 2.462 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 49 55.616 1.788 6.382 1.00 0.00 H new ATOM 790 N GLY A 50 56.509 -1.526 6.205 1.00 0.00 N ATOM 791 CA GLY A 50 55.637 -2.667 6.603 1.00 0.00 C ATOM 792 C GLY A 50 55.345 -3.542 5.382 1.00 0.00 C ATOM 793 O GLY A 50 54.263 -4.071 5.232 1.00 0.00 O ATOM 0 H GLY A 50 57.038 -1.665 5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.126 -3.258 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.705 -2.294 7.027 1.00 0.00 H new ATOM 797 N LYS A 51 56.304 -3.698 4.510 1.00 0.00 N ATOM 798 CA LYS A 51 56.089 -4.538 3.297 1.00 0.00 C ATOM 799 C LYS A 51 57.360 -4.544 2.447 1.00 0.00 C ATOM 800 O LYS A 51 57.734 -3.538 1.877 1.00 0.00 O ATOM 801 CB LYS A 51 54.941 -3.864 2.542 1.00 0.00 C ATOM 802 CG LYS A 51 54.660 -4.630 1.249 1.00 0.00 C ATOM 803 CD LYS A 51 53.186 -5.037 1.206 1.00 0.00 C ATOM 804 CE LYS A 51 52.915 -5.842 -0.067 1.00 0.00 C ATOM 805 NZ LYS A 51 51.480 -5.595 -0.380 1.00 0.00 N ATOM 0 H LYS A 51 57.231 -3.278 4.586 1.00 0.00 H new ATOM 0 HA LYS A 51 55.855 -5.574 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.047 -3.841 3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.199 -2.829 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.902 -4.009 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 55.294 -5.515 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.936 -5.631 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.552 -4.151 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 51 53.559 -5.517 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 51 53.108 -6.903 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 51.218 -6.115 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 50.891 -5.920 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 51.328 -4.577 -0.530 1.00 0.00 H new ATOM 819 N SER A 52 58.028 -5.665 2.368 1.00 0.00 N ATOM 820 CA SER A 52 59.285 -5.743 1.566 1.00 0.00 C ATOM 821 C SER A 52 59.174 -4.896 0.299 1.00 0.00 C ATOM 822 O SER A 52 58.224 -4.997 -0.452 1.00 0.00 O ATOM 823 CB SER A 52 59.434 -7.215 1.204 1.00 0.00 C ATOM 824 OG SER A 52 60.815 -7.549 1.156 1.00 0.00 O ATOM 0 H SER A 52 57.756 -6.534 2.827 1.00 0.00 H new ATOM 0 HA SER A 52 60.143 -5.365 2.122 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.923 -7.836 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.966 -7.413 0.240 1.00 0.00 H new ATOM 0 HG SER A 52 60.975 -8.355 1.690 1.00 0.00 H new ATOM 830 N LYS A 53 60.144 -4.064 0.060 1.00 0.00 N ATOM 831 CA LYS A 53 60.111 -3.205 -1.158 1.00 0.00 C ATOM 832 C LYS A 53 61.359 -3.458 -2.004 1.00 0.00 C ATOM 833 O LYS A 53 61.425 -3.092 -3.161 1.00 0.00 O ATOM 834 CB LYS A 53 60.098 -1.768 -0.635 1.00 0.00 C ATOM 835 CG LYS A 53 59.036 -0.962 -1.384 1.00 0.00 C ATOM 836 CD LYS A 53 59.719 0.041 -2.317 1.00 0.00 C ATOM 837 CE LYS A 53 58.776 0.390 -3.470 1.00 0.00 C ATOM 838 NZ LYS A 53 59.553 1.325 -4.331 1.00 0.00 N ATOM 0 H LYS A 53 60.962 -3.939 0.656 1.00 0.00 H new ATOM 0 HA LYS A 53 59.246 -3.411 -1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.888 -1.761 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.079 -1.312 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.395 -1.631 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.395 -0.437 -0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 53 59.986 0.943 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.646 -0.381 -2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.480 -0.502 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 53 57.861 0.857 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.973 1.611 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 59.815 2.167 -3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 60.415 0.851 -4.669 1.00 0.00 H new ATOM 852 N GLY A 54 62.348 -4.089 -1.435 1.00 0.00 N ATOM 853 CA GLY A 54 63.589 -4.374 -2.202 1.00 0.00 C ATOM 854 C GLY A 54 64.639 -3.298 -1.920 1.00 0.00 C ATOM 855 O GLY A 54 65.486 -3.022 -2.746 1.00 0.00 O ATOM 0 H GLY A 54 62.349 -4.420 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.979 -5.354 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.367 -4.406 -3.269 1.00 0.00 H new ATOM 859 N ILE A 55 64.607 -2.689 -0.763 1.00 0.00 N ATOM 860 CA ILE A 55 65.626 -1.645 -0.463 1.00 0.00 C ATOM 861 C ILE A 55 66.528 -2.115 0.679 1.00 0.00 C ATOM 862 O ILE A 55 66.166 -2.986 1.443 1.00 0.00 O ATOM 863 CB ILE A 55 64.822 -0.410 -0.053 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.774 -0.104 -1.127 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.765 0.786 0.087 1.00 0.00 C ATOM 866 CD1 ILE A 55 62.563 0.571 -0.480 1.00 0.00 C ATOM 0 H ILE A 55 63.928 -2.867 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 55 66.274 -1.435 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 55 64.326 -0.599 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.200 0.545 -1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.468 -1.024 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.194 1.667 0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.515 0.571 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.259 0.973 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 55 61.817 0.789 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.132 -0.094 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 55 62.876 1.500 -0.003 1.00 0.00 H new ATOM 878 N ALA A 56 67.700 -1.555 0.802 1.00 0.00 N ATOM 879 CA ALA A 56 68.610 -1.986 1.901 1.00 0.00 C ATOM 880 C ALA A 56 69.761 -0.991 2.060 1.00 0.00 C ATOM 881 O ALA A 56 70.037 -0.201 1.180 1.00 0.00 O ATOM 882 CB ALA A 56 69.137 -3.353 1.461 1.00 0.00 C ATOM 0 H ALA A 56 68.065 -0.822 0.194 1.00 0.00 H new ATOM 0 HA ALA A 56 68.101 -2.034 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.817 -3.742 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.302 -4.042 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.668 -3.251 0.515 1.00 0.00 H new ATOM 888 N TYR A 57 70.436 -1.027 3.175 1.00 0.00 N ATOM 889 CA TYR A 57 71.574 -0.085 3.388 1.00 0.00 C ATOM 890 C TYR A 57 72.882 -0.871 3.494 1.00 0.00 C ATOM 891 O TYR A 57 73.074 -1.656 4.402 1.00 0.00 O ATOM 892 CB TYR A 57 71.262 0.631 4.703 1.00 0.00 C ATOM 893 CG TYR A 57 70.928 2.075 4.421 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.799 2.859 3.655 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.745 2.631 4.923 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.488 4.198 3.391 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.433 3.970 4.659 1.00 0.00 C ATOM 898 CZ TYR A 57 70.305 4.754 3.893 1.00 0.00 C ATOM 899 OH TYR A 57 69.998 6.074 3.634 1.00 0.00 O ATOM 0 H TYR A 57 70.251 -1.666 3.948 1.00 0.00 H new ATOM 0 HA TYR A 57 71.690 0.622 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.426 0.144 5.205 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.118 0.569 5.375 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.711 2.430 3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.073 2.027 5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.160 4.802 2.800 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.520 4.398 5.046 1.00 0.00 H new ATOM 0 HH TYR A 57 69.142 6.299 4.055 1.00 0.00 H new ATOM 909 N ILE A 58 73.780 -0.672 2.571 1.00 0.00 N ATOM 910 CA ILE A 58 75.072 -1.417 2.615 1.00 0.00 C ATOM 911 C ILE A 58 76.186 -0.501 3.125 1.00 0.00 C ATOM 912 O ILE A 58 76.429 0.556 2.577 1.00 0.00 O ATOM 913 CB ILE A 58 75.360 -1.852 1.168 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.054 -2.016 0.379 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.098 -3.189 1.180 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.128 -2.979 1.119 1.00 0.00 C ATOM 0 H ILE A 58 73.677 -0.027 1.788 1.00 0.00 H new ATOM 0 HA ILE A 58 75.020 -2.275 3.285 1.00 0.00 H new ATOM 0 HB ILE A 58 75.969 -1.084 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.567 -1.049 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.266 -2.395 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.304 -3.500 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.037 -3.081 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.480 -3.941 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.201 -3.095 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.616 -3.949 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.906 -2.581 2.109 1.00 0.00 H new ATOM 928 N GLU A 59 76.871 -0.894 4.166 1.00 0.00 N ATOM 929 CA GLU A 59 77.972 -0.037 4.695 1.00 0.00 C ATOM 930 C GLU A 59 79.307 -0.771 4.560 1.00 0.00 C ATOM 931 O GLU A 59 79.608 -1.677 5.310 1.00 0.00 O ATOM 932 CB GLU A 59 77.634 0.222 6.172 1.00 0.00 C ATOM 933 CG GLU A 59 76.919 -0.988 6.782 1.00 0.00 C ATOM 934 CD GLU A 59 76.981 -0.903 8.308 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.042 -1.157 8.853 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.966 -0.584 8.905 1.00 0.00 O ATOM 0 H GLU A 59 76.717 -1.767 4.671 1.00 0.00 H new ATOM 0 HA GLU A 59 78.062 0.901 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.548 0.430 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.001 1.106 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.881 -1.015 6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.387 -1.911 6.439 1.00 0.00 H new ATOM 943 N PHE A 60 80.103 -0.395 3.596 1.00 0.00 N ATOM 944 CA PHE A 60 81.411 -1.084 3.402 1.00 0.00 C ATOM 945 C PHE A 60 82.481 -0.492 4.316 1.00 0.00 C ATOM 946 O PHE A 60 82.243 0.444 5.053 1.00 0.00 O ATOM 947 CB PHE A 60 81.775 -0.850 1.938 1.00 0.00 C ATOM 948 CG PHE A 60 80.812 -1.606 1.056 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.531 -1.095 0.817 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.200 -2.822 0.481 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.639 -1.800 0.000 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.308 -3.526 -0.335 1.00 0.00 C ATOM 953 CZ PHE A 60 79.027 -3.016 -0.575 1.00 0.00 C ATOM 0 H PHE A 60 79.905 0.357 2.936 1.00 0.00 H new ATOM 0 HA PHE A 60 81.345 -2.144 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.737 0.215 1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.796 -1.181 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.231 -0.158 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.188 -3.217 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.651 -1.406 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.608 -4.463 -0.780 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.338 -3.560 -1.204 1.00 0.00 H new ATOM 963 N LYS A 61 83.665 -1.037 4.267 1.00 0.00 N ATOM 964 CA LYS A 61 84.766 -0.520 5.130 1.00 0.00 C ATOM 965 C LYS A 61 85.304 0.797 4.571 1.00 0.00 C ATOM 966 O LYS A 61 85.873 1.600 5.284 1.00 0.00 O ATOM 967 CB LYS A 61 85.844 -1.602 5.081 1.00 0.00 C ATOM 968 CG LYS A 61 86.690 -1.539 6.354 1.00 0.00 C ATOM 969 CD LYS A 61 87.471 -2.845 6.513 1.00 0.00 C ATOM 970 CE LYS A 61 88.821 -2.723 5.802 1.00 0.00 C ATOM 971 NZ LYS A 61 89.237 -4.126 5.525 1.00 0.00 N ATOM 0 H LYS A 61 83.919 -1.820 3.665 1.00 0.00 H new ATOM 0 HA LYS A 61 84.433 -0.319 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.383 -2.585 4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.476 -1.461 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.378 -0.695 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.050 -1.378 7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.623 -3.064 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.901 -3.675 6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.731 -2.148 4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.552 -2.210 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.156 -4.126 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.320 -4.647 6.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 88.526 -4.586 4.922 1.00 0.00 H new ATOM 985 N SER A 62 85.132 1.024 3.301 1.00 0.00 N ATOM 986 CA SER A 62 85.635 2.289 2.697 1.00 0.00 C ATOM 987 C SER A 62 84.946 2.547 1.355 1.00 0.00 C ATOM 988 O SER A 62 84.340 1.666 0.773 1.00 0.00 O ATOM 989 CB SER A 62 87.133 2.062 2.494 1.00 0.00 C ATOM 990 OG SER A 62 87.607 1.152 3.477 1.00 0.00 O ATOM 0 H SER A 62 84.665 0.389 2.654 1.00 0.00 H new ATOM 0 HA SER A 62 85.434 3.155 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.321 1.667 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.669 3.008 2.569 1.00 0.00 H new ATOM 0 HG SER A 62 88.567 1.003 3.349 1.00 0.00 H new ATOM 996 N GLU A 63 85.035 3.751 0.860 1.00 0.00 N ATOM 997 CA GLU A 63 84.387 4.067 -0.443 1.00 0.00 C ATOM 998 C GLU A 63 84.891 3.111 -1.526 1.00 0.00 C ATOM 999 O GLU A 63 84.158 2.722 -2.411 1.00 0.00 O ATOM 1000 CB GLU A 63 84.809 5.504 -0.757 1.00 0.00 C ATOM 1001 CG GLU A 63 84.349 5.873 -2.169 1.00 0.00 C ATOM 1002 CD GLU A 63 83.719 7.266 -2.154 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.331 8.166 -1.602 1.00 0.00 O ATOM 1004 OE2 GLU A 63 82.636 7.411 -2.694 1.00 0.00 O ATOM 0 H GLU A 63 85.528 4.528 1.301 1.00 0.00 H new ATOM 0 HA GLU A 63 83.303 3.961 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.373 6.190 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.892 5.602 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.196 5.853 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.628 5.140 -2.531 1.00 0.00 H new ATOM 1011 N ALA A 64 86.136 2.724 -1.459 1.00 0.00 N ATOM 1012 CA ALA A 64 86.679 1.793 -2.483 1.00 0.00 C ATOM 1013 C ALA A 64 85.925 0.467 -2.422 1.00 0.00 C ATOM 1014 O ALA A 64 85.577 -0.109 -3.434 1.00 0.00 O ATOM 1015 CB ALA A 64 88.149 1.598 -2.109 1.00 0.00 C ATOM 0 H ALA A 64 86.798 3.013 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 64 86.573 2.178 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.619 0.920 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.661 2.560 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.216 1.174 -1.107 1.00 0.00 H new ATOM 1021 N ASP A 65 85.651 -0.011 -1.242 1.00 0.00 N ATOM 1022 CA ASP A 65 84.897 -1.288 -1.122 1.00 0.00 C ATOM 1023 C ASP A 65 83.461 -1.051 -1.581 1.00 0.00 C ATOM 1024 O ASP A 65 82.954 -1.720 -2.463 1.00 0.00 O ATOM 1025 CB ASP A 65 84.943 -1.644 0.365 1.00 0.00 C ATOM 1026 CG ASP A 65 86.338 -2.158 0.724 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.910 -2.873 -0.083 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.811 -1.830 1.799 1.00 0.00 O ATOM 0 H ASP A 65 85.915 0.425 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 65 85.313 -2.092 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.701 -0.768 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.195 -2.404 0.591 1.00 0.00 H new ATOM 1033 N ALA A 66 82.808 -0.083 -0.998 1.00 0.00 N ATOM 1034 CA ALA A 66 81.410 0.221 -1.407 1.00 0.00 C ATOM 1035 C ALA A 66 81.380 0.627 -2.883 1.00 0.00 C ATOM 1036 O ALA A 66 80.415 0.388 -3.582 1.00 0.00 O ATOM 1037 CB ALA A 66 80.981 1.389 -0.518 1.00 0.00 C ATOM 0 H ALA A 66 83.183 0.509 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 66 80.746 -0.636 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.957 1.673 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.037 1.089 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.643 2.238 -0.688 1.00 0.00 H new ATOM 1043 N GLU A 67 82.434 1.235 -3.368 1.00 0.00 N ATOM 1044 CA GLU A 67 82.461 1.646 -4.798 1.00 0.00 C ATOM 1045 C GLU A 67 82.673 0.419 -5.688 1.00 0.00 C ATOM 1046 O GLU A 67 81.984 0.225 -6.670 1.00 0.00 O ATOM 1047 CB GLU A 67 83.646 2.606 -4.918 1.00 0.00 C ATOM 1048 CG GLU A 67 83.886 2.940 -6.391 1.00 0.00 C ATOM 1049 CD GLU A 67 85.306 3.480 -6.569 1.00 0.00 C ATOM 1050 OE1 GLU A 67 86.237 2.707 -6.409 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.440 4.657 -6.862 1.00 0.00 O ATOM 0 H GLU A 67 83.273 1.462 -2.834 1.00 0.00 H new ATOM 0 HA GLU A 67 81.528 2.115 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.447 3.518 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.539 2.154 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.745 2.050 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.160 3.679 -6.730 1.00 0.00 H new ATOM 1058 N LYS A 68 83.614 -0.417 -5.343 1.00 0.00 N ATOM 1059 CA LYS A 68 83.859 -1.634 -6.163 1.00 0.00 C ATOM 1060 C LYS A 68 82.597 -2.493 -6.178 1.00 0.00 C ATOM 1061 O LYS A 68 82.210 -3.032 -7.196 1.00 0.00 O ATOM 1062 CB LYS A 68 85.003 -2.366 -5.462 1.00 0.00 C ATOM 1063 CG LYS A 68 85.493 -3.514 -6.346 1.00 0.00 C ATOM 1064 CD LYS A 68 85.937 -2.962 -7.702 1.00 0.00 C ATOM 1065 CE LYS A 68 86.987 -3.891 -8.315 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.095 -3.464 -9.738 1.00 0.00 N ATOM 0 H LYS A 68 84.222 -0.309 -4.531 1.00 0.00 H new ATOM 0 HA LYS A 68 84.110 -1.403 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 68 85.821 -1.675 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.666 -2.752 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.322 -4.030 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.698 -4.247 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.079 -2.875 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.349 -1.960 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.944 -3.799 -7.801 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.683 -4.935 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.998 -3.797 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.308 -3.870 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.055 -2.426 -9.793 1.00 0.00 H new ATOM 1080 N ASN A 69 81.948 -2.615 -5.054 1.00 0.00 N ATOM 1081 CA ASN A 69 80.703 -3.428 -5.002 1.00 0.00 C ATOM 1082 C ASN A 69 79.569 -2.688 -5.715 1.00 0.00 C ATOM 1083 O ASN A 69 78.794 -3.273 -6.444 1.00 0.00 O ATOM 1084 CB ASN A 69 80.396 -3.582 -3.513 1.00 0.00 C ATOM 1085 CG ASN A 69 80.817 -4.977 -3.049 1.00 0.00 C ATOM 1086 OD1 ASN A 69 79.995 -5.759 -2.612 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.073 -5.323 -3.126 1.00 0.00 N ATOM 0 H ASN A 69 82.226 -2.187 -4.171 1.00 0.00 H new ATOM 0 HA ASN A 69 80.812 -4.394 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.926 -2.821 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.331 -3.433 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.366 -6.251 -2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.761 -4.666 -3.493 1.00 0.00 H new ATOM 1094 N LEU A 70 79.469 -1.403 -5.517 1.00 0.00 N ATOM 1095 CA LEU A 70 78.388 -0.627 -6.189 1.00 0.00 C ATOM 1096 C LEU A 70 78.639 -0.579 -7.698 1.00 0.00 C ATOM 1097 O LEU A 70 77.729 -0.400 -8.482 1.00 0.00 O ATOM 1098 CB LEU A 70 78.471 0.775 -5.584 1.00 0.00 C ATOM 1099 CG LEU A 70 77.516 1.710 -6.326 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.240 1.896 -5.502 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.191 3.067 -6.532 1.00 0.00 C ATOM 0 H LEU A 70 80.089 -0.856 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 70 77.404 -1.073 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.214 0.741 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.491 1.152 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 70 77.263 1.278 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.559 2.563 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 70 75.759 0.929 -5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 70 76.492 2.329 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.511 3.735 -7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.443 3.499 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.100 2.936 -7.119 1.00 0.00 H new ATOM 1113 N GLU A 71 79.866 -0.741 -8.109 1.00 0.00 N ATOM 1114 CA GLU A 71 80.173 -0.709 -9.567 1.00 0.00 C ATOM 1115 C GLU A 71 80.357 -2.133 -10.100 1.00 0.00 C ATOM 1116 O GLU A 71 80.316 -2.372 -11.290 1.00 0.00 O ATOM 1117 CB GLU A 71 81.479 0.077 -9.681 1.00 0.00 C ATOM 1118 CG GLU A 71 81.166 1.555 -9.925 1.00 0.00 C ATOM 1119 CD GLU A 71 82.470 2.322 -10.157 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.355 1.769 -10.789 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.562 3.448 -9.699 1.00 0.00 O ATOM 0 H GLU A 71 80.669 -0.894 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 71 79.371 -0.253 -10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.064 -0.036 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.083 -0.317 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.511 1.661 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 71 80.634 1.971 -9.069 1.00 0.00 H new ATOM 1128 N GLU A 72 80.563 -3.082 -9.227 1.00 0.00 N ATOM 1129 CA GLU A 72 80.753 -4.480 -9.678 1.00 0.00 C ATOM 1130 C GLU A 72 79.602 -5.366 -9.192 1.00 0.00 C ATOM 1131 O GLU A 72 79.421 -6.473 -9.658 1.00 0.00 O ATOM 1132 CB GLU A 72 82.076 -4.924 -9.052 1.00 0.00 C ATOM 1133 CG GLU A 72 82.558 -6.207 -9.733 1.00 0.00 C ATOM 1134 CD GLU A 72 83.930 -5.964 -10.365 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.648 -5.113 -9.867 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.239 -6.635 -11.336 1.00 0.00 O ATOM 0 H GLU A 72 80.607 -2.943 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 72 80.769 -4.559 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.824 -4.139 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.946 -5.094 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.619 -7.017 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.844 -6.517 -10.496 1.00 0.00 H new ATOM 1143 N LYS A 73 78.824 -4.891 -8.257 1.00 0.00 N ATOM 1144 CA LYS A 73 77.689 -5.713 -7.746 1.00 0.00 C ATOM 1145 C LYS A 73 76.355 -5.142 -8.234 1.00 0.00 C ATOM 1146 O LYS A 73 75.348 -5.819 -8.240 1.00 0.00 O ATOM 1147 CB LYS A 73 77.787 -5.624 -6.222 1.00 0.00 C ATOM 1148 CG LYS A 73 77.492 -6.995 -5.611 1.00 0.00 C ATOM 1149 CD LYS A 73 78.694 -7.918 -5.820 1.00 0.00 C ATOM 1150 CE LYS A 73 79.944 -7.272 -5.220 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.505 -8.301 -4.301 1.00 0.00 N ATOM 0 H LYS A 73 78.925 -3.972 -7.826 1.00 0.00 H new ATOM 0 HA LYS A 73 77.738 -6.744 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.783 -5.290 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.080 -4.886 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.280 -6.892 -4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.604 -7.427 -6.073 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.510 -8.884 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.843 -8.104 -6.884 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.661 -7.003 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.696 -6.356 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.427 -7.980 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.854 -8.446 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.627 -9.197 -4.816 1.00 0.00 H new ATOM 1165 N GLN A 74 76.341 -3.900 -8.642 1.00 0.00 N ATOM 1166 CA GLN A 74 75.076 -3.281 -9.132 1.00 0.00 C ATOM 1167 C GLN A 74 74.360 -4.231 -10.093 1.00 0.00 C ATOM 1168 O GLN A 74 74.586 -4.214 -11.287 1.00 0.00 O ATOM 1169 CB GLN A 74 75.513 -2.009 -9.861 1.00 0.00 C ATOM 1170 CG GLN A 74 74.292 -1.339 -10.497 1.00 0.00 C ATOM 1171 CD GLN A 74 73.885 -0.123 -9.663 1.00 0.00 C ATOM 1172 OE1 GLN A 74 72.742 0.006 -9.272 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.780 0.782 -9.372 1.00 0.00 N ATOM 0 H GLN A 74 77.155 -3.286 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 74 74.380 -3.067 -8.321 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.994 -1.324 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.249 -2.251 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 74 74.522 -1.033 -11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.465 -2.047 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.740 0.674 -9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.519 1.597 -8.817 1.00 0.00 H new ATOM 1182 N GLY A 75 73.504 -5.062 -9.576 1.00 0.00 N ATOM 1183 CA GLY A 75 72.771 -6.025 -10.445 1.00 0.00 C ATOM 1184 C GLY A 75 72.866 -7.423 -9.834 1.00 0.00 C ATOM 1185 O GLY A 75 71.909 -7.941 -9.303 1.00 0.00 O ATOM 0 H GLY A 75 73.277 -5.118 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.727 -5.726 -10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.195 -6.024 -11.449 1.00 0.00 H new ATOM 1189 N ALA A 76 74.022 -8.029 -9.900 1.00 0.00 N ATOM 1190 CA ALA A 76 74.194 -9.393 -9.316 1.00 0.00 C ATOM 1191 C ALA A 76 72.953 -10.259 -9.571 1.00 0.00 C ATOM 1192 O ALA A 76 71.985 -10.206 -8.838 1.00 0.00 O ATOM 1193 CB ALA A 76 74.382 -9.153 -7.817 1.00 0.00 C ATOM 0 H ALA A 76 74.858 -7.637 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 76 75.036 -9.924 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.516 -10.108 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.262 -8.530 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.502 -8.649 -7.416 1.00 0.00 H new ATOM 1199 N GLU A 77 72.976 -11.057 -10.602 1.00 0.00 N ATOM 1200 CA GLU A 77 71.798 -11.925 -10.899 1.00 0.00 C ATOM 1201 C GLU A 77 71.604 -12.963 -9.790 1.00 0.00 C ATOM 1202 O GLU A 77 72.095 -14.072 -9.871 1.00 0.00 O ATOM 1203 CB GLU A 77 72.136 -12.611 -12.224 1.00 0.00 C ATOM 1204 CG GLU A 77 71.088 -12.236 -13.274 1.00 0.00 C ATOM 1205 CD GLU A 77 70.622 -13.498 -14.004 1.00 0.00 C ATOM 1206 OE1 GLU A 77 71.250 -13.856 -14.987 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.645 -14.084 -13.567 1.00 0.00 O ATOM 0 H GLU A 77 73.757 -11.147 -11.252 1.00 0.00 H new ATOM 0 HA GLU A 77 70.872 -11.354 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.128 -12.308 -12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.161 -13.692 -12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.240 -11.745 -12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.509 -11.526 -13.986 1.00 0.00 H new ATOM 1214 N ILE A 78 70.878 -12.614 -8.760 1.00 0.00 N ATOM 1215 CA ILE A 78 70.632 -13.575 -7.643 1.00 0.00 C ATOM 1216 C ILE A 78 69.198 -13.399 -7.146 1.00 0.00 C ATOM 1217 O ILE A 78 68.465 -12.564 -7.636 1.00 0.00 O ATOM 1218 CB ILE A 78 71.625 -13.196 -6.537 1.00 0.00 C ATOM 1219 CG1 ILE A 78 73.051 -13.175 -7.092 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.552 -14.222 -5.405 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.569 -11.739 -7.118 1.00 0.00 C ATOM 0 H ILE A 78 70.442 -11.699 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 78 70.763 -14.612 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 78 71.366 -12.206 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 78 73.701 -13.796 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 78 73.067 -13.596 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 78 72.259 -13.950 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.543 -14.239 -4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.803 -15.210 -5.792 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.585 -11.726 -7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.924 -11.131 -7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 78 73.568 -11.334 -6.106 1.00 0.00 H new ATOM 1233 N ASP A 79 68.783 -14.168 -6.182 1.00 0.00 N ATOM 1234 CA ASP A 79 67.394 -14.017 -5.681 1.00 0.00 C ATOM 1235 C ASP A 79 66.428 -14.021 -6.866 1.00 0.00 C ATOM 1236 O ASP A 79 65.359 -13.445 -6.817 1.00 0.00 O ATOM 1237 CB ASP A 79 67.372 -12.662 -4.970 1.00 0.00 C ATOM 1238 CG ASP A 79 66.587 -12.784 -3.663 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.387 -12.989 -3.732 1.00 0.00 O ATOM 1240 OD2 ASP A 79 67.200 -12.671 -2.614 1.00 0.00 O ATOM 0 H ASP A 79 69.341 -14.888 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 79 67.095 -14.824 -5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 79 68.390 -12.330 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.914 -11.910 -5.612 1.00 0.00 H new ATOM 1245 N GLY A 80 66.805 -14.669 -7.934 1.00 0.00 N ATOM 1246 CA GLY A 80 65.931 -14.718 -9.130 1.00 0.00 C ATOM 1247 C GLY A 80 65.781 -13.314 -9.717 1.00 0.00 C ATOM 1248 O GLY A 80 64.746 -12.963 -10.247 1.00 0.00 O ATOM 0 H GLY A 80 67.689 -15.169 -8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.356 -15.391 -9.875 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.953 -15.117 -8.861 1.00 0.00 H new ATOM 1252 N ARG A 81 66.806 -12.505 -9.631 1.00 0.00 N ATOM 1253 CA ARG A 81 66.713 -11.125 -10.190 1.00 0.00 C ATOM 1254 C ARG A 81 67.969 -10.327 -9.838 1.00 0.00 C ATOM 1255 O ARG A 81 68.809 -10.770 -9.079 1.00 0.00 O ATOM 1256 CB ARG A 81 65.483 -10.503 -9.524 1.00 0.00 C ATOM 1257 CG ARG A 81 65.480 -10.842 -8.031 1.00 0.00 C ATOM 1258 CD ARG A 81 65.110 -9.595 -7.224 1.00 0.00 C ATOM 1259 NE ARG A 81 63.622 -9.602 -7.167 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.963 -8.475 -7.202 1.00 0.00 C ATOM 1261 NH1 ARG A 81 63.299 -7.549 -8.058 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.969 -8.275 -6.381 1.00 0.00 N ATOM 0 H ARG A 81 67.700 -12.740 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 81 66.629 -11.128 -11.277 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.490 -9.422 -9.662 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.574 -10.878 -9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 81 64.768 -11.642 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.462 -11.206 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 81 65.544 -9.628 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 81 65.483 -8.690 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 81 63.118 -10.486 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 81 64.076 -7.705 -8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 81 62.784 -6.669 -8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.707 -8.999 -5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.454 -7.395 -6.408 1.00 0.00 H new ATOM 1276 N SER A 82 68.107 -9.151 -10.385 1.00 0.00 N ATOM 1277 CA SER A 82 69.307 -8.327 -10.082 1.00 0.00 C ATOM 1278 C SER A 82 69.000 -7.337 -8.957 1.00 0.00 C ATOM 1279 O SER A 82 67.875 -6.913 -8.777 1.00 0.00 O ATOM 1280 CB SER A 82 69.611 -7.586 -11.379 1.00 0.00 C ATOM 1281 OG SER A 82 69.132 -6.251 -11.284 1.00 0.00 O ATOM 0 H SER A 82 67.440 -8.726 -11.029 1.00 0.00 H new ATOM 0 HA SER A 82 70.151 -8.931 -9.749 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.685 -7.586 -11.568 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.139 -8.094 -12.220 1.00 0.00 H new ATOM 0 HG SER A 82 69.328 -5.773 -12.117 1.00 0.00 H new ATOM 1287 N VAL A 83 69.993 -6.966 -8.203 1.00 0.00 N ATOM 1288 CA VAL A 83 69.771 -6.002 -7.091 1.00 0.00 C ATOM 1289 C VAL A 83 70.357 -4.637 -7.459 1.00 0.00 C ATOM 1290 O VAL A 83 71.427 -4.544 -8.026 1.00 0.00 O ATOM 1291 CB VAL A 83 70.509 -6.608 -5.898 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.939 -6.963 -6.308 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.542 -5.597 -4.752 1.00 0.00 C ATOM 0 H VAL A 83 70.954 -7.290 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 83 68.714 -5.843 -6.876 1.00 0.00 H new ATOM 0 HB VAL A 83 69.992 -7.510 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.465 -7.395 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.915 -7.685 -7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.458 -6.062 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 83 71.068 -6.029 -3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.059 -4.694 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.523 -5.346 -4.459 1.00 0.00 H new ATOM 1303 N SER A 84 69.663 -3.578 -7.146 1.00 0.00 N ATOM 1304 CA SER A 84 70.182 -2.223 -7.486 1.00 0.00 C ATOM 1305 C SER A 84 71.024 -1.673 -6.334 1.00 0.00 C ATOM 1306 O SER A 84 70.898 -2.096 -5.201 1.00 0.00 O ATOM 1307 CB SER A 84 68.936 -1.364 -7.698 1.00 0.00 C ATOM 1308 OG SER A 84 68.187 -1.885 -8.788 1.00 0.00 O ATOM 0 H SER A 84 68.761 -3.592 -6.670 1.00 0.00 H new ATOM 0 HA SER A 84 70.823 -2.236 -8.367 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.327 -1.356 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.222 -0.331 -7.899 1.00 0.00 H new ATOM 0 HG SER A 84 67.585 -1.193 -9.132 1.00 0.00 H new ATOM 1314 N LEU A 85 71.883 -0.733 -6.613 1.00 0.00 N ATOM 1315 CA LEU A 85 72.733 -0.155 -5.536 1.00 0.00 C ATOM 1316 C LEU A 85 72.631 1.372 -5.546 1.00 0.00 C ATOM 1317 O LEU A 85 72.948 2.018 -6.526 1.00 0.00 O ATOM 1318 CB LEU A 85 74.156 -0.599 -5.874 1.00 0.00 C ATOM 1319 CG LEU A 85 74.227 -2.126 -5.880 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.635 -2.571 -6.282 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.907 -2.653 -4.479 1.00 0.00 C ATOM 0 H LEU A 85 72.033 -0.340 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 85 72.427 -0.488 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.449 -0.207 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.857 -0.195 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 85 73.504 -2.522 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.685 -3.660 -6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.865 -2.193 -7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.359 -2.177 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.957 -3.742 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.631 -2.257 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.905 -2.336 -4.191 1.00 0.00 H new ATOM 1333 N TYR A 86 72.199 1.955 -4.463 1.00 0.00 N ATOM 1334 CA TYR A 86 72.086 3.438 -4.412 1.00 0.00 C ATOM 1335 C TYR A 86 73.121 4.002 -3.446 1.00 0.00 C ATOM 1336 O TYR A 86 72.890 4.093 -2.257 1.00 0.00 O ATOM 1337 CB TYR A 86 70.681 3.721 -3.893 1.00 0.00 C ATOM 1338 CG TYR A 86 69.678 3.541 -5.005 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.518 2.288 -5.607 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.908 4.628 -5.432 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.586 2.123 -6.637 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.976 4.464 -6.462 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.814 3.210 -7.065 1.00 0.00 C ATOM 1344 OH TYR A 86 66.896 3.047 -8.081 1.00 0.00 O ATOM 0 H TYR A 86 71.919 1.468 -3.611 1.00 0.00 H new ATOM 0 HA TYR A 86 72.259 3.895 -5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.446 3.049 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.626 4.737 -3.502 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.113 1.449 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.033 5.594 -4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.462 1.156 -7.103 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.382 5.303 -6.792 1.00 0.00 H new ATOM 0 HH TYR A 86 66.445 3.900 -8.254 1.00 0.00 H new ATOM 1354 N TYR A 87 74.260 4.376 -3.945 1.00 0.00 N ATOM 1355 CA TYR A 87 75.314 4.928 -3.062 1.00 0.00 C ATOM 1356 C TYR A 87 74.747 6.047 -2.188 1.00 0.00 C ATOM 1357 O TYR A 87 73.559 6.300 -2.167 1.00 0.00 O ATOM 1358 CB TYR A 87 76.370 5.483 -4.015 1.00 0.00 C ATOM 1359 CG TYR A 87 77.749 5.141 -3.505 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.186 3.811 -3.507 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.595 6.154 -3.039 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.467 3.494 -3.043 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.877 5.837 -2.572 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.312 4.507 -2.575 1.00 0.00 C ATOM 1365 OH TYR A 87 81.577 4.194 -2.117 1.00 0.00 O ATOM 0 H TYR A 87 74.507 4.322 -4.933 1.00 0.00 H new ATOM 0 HA TYR A 87 75.721 4.175 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.228 5.067 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.262 6.564 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.534 3.029 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.259 7.180 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.804 2.468 -3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.529 6.618 -2.210 1.00 0.00 H new ATOM 0 HH TYR A 87 81.818 4.797 -1.383 1.00 0.00 H new ATOM 1375 N THR A 88 75.595 6.721 -1.471 1.00 0.00 N ATOM 1376 CA THR A 88 75.119 7.830 -0.594 1.00 0.00 C ATOM 1377 C THR A 88 76.310 8.571 0.017 1.00 0.00 C ATOM 1378 O THR A 88 76.873 8.151 1.008 1.00 0.00 O ATOM 1379 CB THR A 88 74.294 7.146 0.497 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.680 5.782 0.594 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.808 7.236 0.148 1.00 0.00 C ATOM 0 H THR A 88 76.601 6.555 -1.451 1.00 0.00 H new ATOM 0 HA THR A 88 74.535 8.569 -1.143 1.00 0.00 H new ATOM 0 HB THR A 88 74.470 7.642 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.650 5.725 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.221 6.748 0.926 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.514 8.283 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.628 6.741 -0.806 1.00 0.00 H new ATOM 1389 N GLY A 89 76.694 9.675 -0.563 1.00 0.00 N ATOM 1390 CA GLY A 89 77.846 10.445 -0.013 1.00 0.00 C ATOM 1391 C GLY A 89 78.821 10.807 -1.125 1.00 0.00 C ATOM 1392 O GLY A 89 79.807 11.486 -0.916 1.00 0.00 O ATOM 0 H GLY A 89 76.260 10.077 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 89 77.487 11.352 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 89 78.356 9.855 0.749 1.00 0.00 H new ATOM 1396 N GLU A 90 78.544 10.356 -2.296 1.00 0.00 N ATOM 1397 CA GLU A 90 79.434 10.653 -3.456 1.00 0.00 C ATOM 1398 C GLU A 90 78.669 10.479 -4.771 1.00 0.00 C ATOM 1399 O GLU A 90 78.819 11.260 -5.690 1.00 0.00 O ATOM 1400 CB GLU A 90 80.567 9.632 -3.356 1.00 0.00 C ATOM 1401 CG GLU A 90 81.876 10.272 -3.824 1.00 0.00 C ATOM 1402 CD GLU A 90 82.972 10.005 -2.790 1.00 0.00 C ATOM 1403 OE1 GLU A 90 82.647 9.941 -1.617 1.00 0.00 O ATOM 1404 OE2 GLU A 90 84.116 9.870 -3.191 1.00 0.00 O ATOM 0 H GLU A 90 77.729 9.784 -2.516 1.00 0.00 H new ATOM 0 HA GLU A 90 79.805 11.678 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 90 80.667 9.284 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 90 80.338 8.759 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 90 82.167 9.864 -4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 90 81.741 11.345 -3.958 1.00 0.00 H new ATOM 1411 N LYS A 91 77.838 9.470 -4.854 1.00 0.00 N ATOM 1412 CA LYS A 91 77.042 9.230 -6.089 1.00 0.00 C ATOM 1413 C LYS A 91 77.854 9.608 -7.337 1.00 0.00 C ATOM 1414 O LYS A 91 77.322 10.022 -8.348 1.00 0.00 O ATOM 1415 CB LYS A 91 75.825 10.127 -5.889 1.00 0.00 C ATOM 1416 CG LYS A 91 75.106 10.367 -7.219 1.00 0.00 C ATOM 1417 CD LYS A 91 73.667 10.810 -6.950 1.00 0.00 C ATOM 1418 CE LYS A 91 72.860 9.627 -6.410 1.00 0.00 C ATOM 1419 NZ LYS A 91 71.437 9.983 -6.668 1.00 0.00 N ATOM 0 H LYS A 91 77.678 8.795 -4.106 1.00 0.00 H new ATOM 0 HA LYS A 91 76.764 8.187 -6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 91 75.140 9.666 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 91 76.136 11.080 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 91 75.630 11.129 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.111 9.456 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.656 11.629 -6.231 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.213 11.185 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 91 73.133 8.700 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 91 73.043 9.477 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.820 9.219 -6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.204 10.866 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 71.291 10.113 -7.690 1.00 0.00 H new ATOM 1433 N GLY A 92 79.148 9.460 -7.272 1.00 0.00 N ATOM 1434 CA GLY A 92 79.999 9.803 -8.445 1.00 0.00 C ATOM 1435 C GLY A 92 79.431 9.139 -9.700 1.00 0.00 C ATOM 1436 O GLY A 92 78.578 8.277 -9.626 1.00 0.00 O ATOM 0 H GLY A 92 79.653 9.116 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 92 80.035 10.884 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 92 81.022 9.468 -8.275 1.00 0.00 H new ATOM 1440 N GLY A 93 79.899 9.532 -10.854 1.00 0.00 N ATOM 1441 CA GLY A 93 79.386 8.923 -12.113 1.00 0.00 C ATOM 1442 C GLY A 93 77.859 8.843 -12.059 1.00 0.00 C ATOM 1443 O GLY A 93 77.294 7.834 -11.684 1.00 0.00 O ATOM 0 H GLY A 93 80.614 10.248 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 93 79.699 9.518 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 93 79.808 7.927 -12.245 1.00 0.00 H new ATOM 1447 N THR A 94 77.187 9.897 -12.429 1.00 0.00 N ATOM 1448 CA THR A 94 75.696 9.879 -12.398 1.00 0.00 C ATOM 1449 C THR A 94 75.139 9.880 -13.824 1.00 0.00 C ATOM 1450 O THR A 94 74.793 10.912 -14.364 1.00 0.00 O ATOM 1451 CB THR A 94 75.299 11.163 -11.667 1.00 0.00 C ATOM 1452 OG1 THR A 94 73.898 11.363 -11.793 1.00 0.00 O ATOM 1453 CG2 THR A 94 76.045 12.350 -12.277 1.00 0.00 C ATOM 0 H THR A 94 77.604 10.770 -12.751 1.00 0.00 H new ATOM 0 HA THR A 94 75.304 8.991 -11.903 1.00 0.00 H new ATOM 0 HB THR A 94 75.560 11.078 -10.612 1.00 0.00 H new ATOM 0 HG1 THR A 94 73.641 12.184 -11.324 1.00 0.00 H new ATOM 0 HG21 THR A 94 75.762 13.264 -11.756 1.00 0.00 H new ATOM 0 HG22 THR A 94 77.119 12.194 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 94 75.787 12.439 -13.332 1.00 0.00 H new ATOM 1461 N ARG A 95 75.055 8.729 -14.438 1.00 0.00 N ATOM 1462 CA ARG A 95 74.527 8.653 -15.829 1.00 0.00 C ATOM 1463 C ARG A 95 73.342 9.608 -16.008 1.00 0.00 C ATOM 1464 O ARG A 95 72.324 9.478 -15.358 1.00 0.00 O ATOM 1465 CB ARG A 95 74.077 7.202 -16.002 1.00 0.00 C ATOM 1466 CG ARG A 95 75.262 6.350 -16.460 1.00 0.00 C ATOM 1467 CD ARG A 95 74.764 4.967 -16.886 1.00 0.00 C ATOM 1468 NE ARG A 95 74.675 5.033 -18.372 1.00 0.00 N ATOM 1469 CZ ARG A 95 73.750 4.360 -19.001 1.00 0.00 C ATOM 1470 NH1 ARG A 95 73.913 3.085 -19.230 1.00 0.00 N ATOM 1471 NH2 ARG A 95 72.663 4.961 -19.400 1.00 0.00 N ATOM 0 H ARG A 95 75.331 7.835 -14.032 1.00 0.00 H new ATOM 0 HA ARG A 95 75.275 8.941 -16.567 1.00 0.00 H new ATOM 0 HB2 ARG A 95 73.682 6.818 -15.061 1.00 0.00 H new ATOM 0 HB3 ARG A 95 73.271 7.145 -16.733 1.00 0.00 H new ATOM 0 HG2 ARG A 95 75.773 6.836 -17.291 1.00 0.00 H new ATOM 0 HG3 ARG A 95 75.988 6.254 -15.652 1.00 0.00 H new ATOM 0 HD2 ARG A 95 75.451 4.184 -16.566 1.00 0.00 H new ATOM 0 HD3 ARG A 95 73.794 4.742 -16.442 1.00 0.00 H new ATOM 0 HE ARG A 95 75.337 5.604 -18.898 1.00 0.00 H new ATOM 0 HH11 ARG A 95 74.763 2.615 -18.917 1.00 0.00 H new ATOM 0 HH12 ARG A 95 73.191 2.559 -19.721 1.00 0.00 H new ATOM 0 HH21 ARG A 95 72.536 5.957 -19.221 1.00 0.00 H new ATOM 0 HH22 ARG A 95 71.940 4.435 -19.891 1.00 0.00 H new ATOM 1485 N GLY A 96 73.467 10.565 -16.886 1.00 0.00 N ATOM 1486 CA GLY A 96 72.350 11.527 -17.106 1.00 0.00 C ATOM 1487 C GLY A 96 72.075 11.658 -18.605 1.00 0.00 C ATOM 1488 O GLY A 96 72.785 11.032 -19.374 1.00 0.00 O ATOM 1489 OXT GLY A 96 71.159 12.382 -18.958 1.00 0.00 O ATOM 0 H GLY A 96 74.295 10.723 -17.461 1.00 0.00 H new ATOM 0 HA2 GLY A 96 71.453 11.183 -16.590 1.00 0.00 H new ATOM 0 HA3 GLY A 96 72.606 12.500 -16.686 1.00 0.00 H new TER 1493 GLY A 96