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 23 ASN : amide:sc= 0.24 X(o=-1.1,f=-1.2) USER MOD Set 1.2: A 84 SER OG : rot 177:sc= -1.38! USER MOD Set 2.1: A 22 LYS NZ :NH3+ -122:sc= -2.6! (180deg=-4.12!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -154:sc=-0.00863 (180deg=-0.078) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.072) 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= -0.488 USER MOD Single : A 10 SER OG : rot -71:sc= 0.758 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 180:sc= -1.23 USER MOD Single : A 25 SER OG : rot -151:sc= 1.22 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 29 THR OG1 : rot 27:sc= 0.246 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -55:sc= -1.88! USER MOD Single : A 68 LYS NZ :NH3+ -110:sc=-0.00308 (180deg=-0.1) USER MOD Single : A 69 ASN : amide:sc= -8.26! C(o=-8.3!,f=-8.8!) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.11) USER MOD Single : A 74 GLN : amide:sc= -3.06! C(o=-3.1!,f=-12!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.126 USER MOD Single : A 87 TYR OH : rot -134:sc= -1.2! USER MOD Single : A 88 THR OG1 : rot 55:sc= -0.265 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.319 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 90.904 20.034 17.214 1.00 0.00 N ATOM 2 CA SER A 1 90.120 20.762 16.175 1.00 0.00 C ATOM 3 C SER A 1 91.019 21.122 14.989 1.00 0.00 C ATOM 4 O SER A 1 90.566 21.247 13.869 1.00 0.00 O ATOM 5 CB SER A 1 89.620 22.027 16.872 1.00 0.00 C ATOM 6 OG SER A 1 89.433 21.758 18.255 1.00 0.00 O ATOM 0 H1 SER A 1 90.266 19.428 17.769 1.00 0.00 H new ATOM 0 H2 SER A 1 91.627 19.445 16.754 1.00 0.00 H new ATOM 0 H3 SER A 1 91.366 20.720 17.845 1.00 0.00 H new ATOM 0 HA SER A 1 89.300 20.162 15.780 1.00 0.00 H new ATOM 0 HB2 SER A 1 90.338 22.836 16.741 1.00 0.00 H new ATOM 0 HB3 SER A 1 88.683 22.357 16.424 1.00 0.00 H new ATOM 0 HG SER A 1 89.114 22.568 18.706 1.00 0.00 H new ATOM 14 N HIS A 2 92.292 21.291 15.227 1.00 0.00 N ATOM 15 CA HIS A 2 93.218 21.643 14.112 1.00 0.00 C ATOM 16 C HIS A 2 93.098 20.618 12.981 1.00 0.00 C ATOM 17 O HIS A 2 92.872 20.964 11.839 1.00 0.00 O ATOM 18 CB HIS A 2 94.616 21.598 14.730 1.00 0.00 C ATOM 19 CG HIS A 2 95.649 21.742 13.647 1.00 0.00 C ATOM 20 ND1 HIS A 2 95.543 22.696 12.647 1.00 0.00 N ATOM 21 CD2 HIS A 2 96.814 21.062 13.394 1.00 0.00 C ATOM 22 CE1 HIS A 2 96.616 22.564 11.846 1.00 0.00 C ATOM 23 NE2 HIS A 2 97.423 21.582 12.256 1.00 0.00 N ATOM 0 H HIS A 2 92.730 21.201 16.144 1.00 0.00 H new ATOM 0 HA HIS A 2 92.994 22.619 13.681 1.00 0.00 H new ATOM 0 HB2 HIS A 2 94.727 22.398 15.462 1.00 0.00 H new ATOM 0 HB3 HIS A 2 94.760 20.657 15.262 1.00 0.00 H new ATOM 0 HD2 HIS A 2 97.200 20.247 13.988 1.00 0.00 H new ATOM 0 HE1 HIS A 2 96.802 23.178 10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 2 98.297 21.279 11.827 1.00 0.00 H new ATOM 31 N MET A 3 93.248 19.359 13.290 1.00 0.00 N ATOM 32 CA MET A 3 93.142 18.313 12.232 1.00 0.00 C ATOM 33 C MET A 3 94.065 18.654 11.059 1.00 0.00 C ATOM 34 O MET A 3 94.690 19.695 11.030 1.00 0.00 O ATOM 35 CB MET A 3 91.678 18.344 11.791 1.00 0.00 C ATOM 36 CG MET A 3 91.269 16.961 11.282 1.00 0.00 C ATOM 37 SD MET A 3 90.228 16.146 12.518 1.00 0.00 S ATOM 38 CE MET A 3 91.406 14.857 12.992 1.00 0.00 C ATOM 0 H MET A 3 93.439 19.009 14.229 1.00 0.00 H new ATOM 0 HA MET A 3 93.438 17.328 12.592 1.00 0.00 H new ATOM 0 HB2 MET A 3 91.042 18.639 12.626 1.00 0.00 H new ATOM 0 HB3 MET A 3 91.539 19.088 11.006 1.00 0.00 H new ATOM 0 HG2 MET A 3 90.728 17.054 10.340 1.00 0.00 H new ATOM 0 HG3 MET A 3 92.155 16.358 11.083 1.00 0.00 H new ATOM 0 HE1 MET A 3 90.963 14.224 13.761 1.00 0.00 H new ATOM 0 HE2 MET A 3 91.652 14.251 12.120 1.00 0.00 H new ATOM 0 HE3 MET A 3 92.313 15.319 13.381 1.00 0.00 H new ATOM 48 N LEU A 4 94.154 17.783 10.090 1.00 0.00 N ATOM 49 CA LEU A 4 95.037 18.057 8.919 1.00 0.00 C ATOM 50 C LEU A 4 94.198 18.508 7.720 1.00 0.00 C ATOM 51 O LEU A 4 94.628 19.313 6.918 1.00 0.00 O ATOM 52 CB LEU A 4 95.724 16.724 8.622 1.00 0.00 C ATOM 53 CG LEU A 4 96.777 16.924 7.531 1.00 0.00 C ATOM 54 CD1 LEU A 4 98.077 16.230 7.941 1.00 0.00 C ATOM 55 CD2 LEU A 4 96.270 16.322 6.219 1.00 0.00 C ATOM 0 H LEU A 4 93.654 16.894 10.058 1.00 0.00 H new ATOM 0 HA LEU A 4 95.757 18.851 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 4 96.192 16.334 9.526 1.00 0.00 H new ATOM 0 HB3 LEU A 4 94.988 15.987 8.301 1.00 0.00 H new ATOM 0 HG LEU A 4 96.962 17.990 7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 4 98.827 16.373 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 4 98.438 16.658 8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 4 97.893 15.164 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 4 97.019 16.464 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 4 96.085 15.256 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 4 95.344 16.816 5.926 1.00 0.00 H new ATOM 67 N GLU A 5 93.005 17.996 7.593 1.00 0.00 N ATOM 68 CA GLU A 5 92.140 18.395 6.446 1.00 0.00 C ATOM 69 C GLU A 5 90.776 17.706 6.548 1.00 0.00 C ATOM 70 O GLU A 5 90.612 16.572 6.143 1.00 0.00 O ATOM 71 CB GLU A 5 92.889 17.920 5.200 1.00 0.00 C ATOM 72 CG GLU A 5 92.356 18.659 3.971 1.00 0.00 C ATOM 73 CD GLU A 5 92.130 17.660 2.833 1.00 0.00 C ATOM 74 OE1 GLU A 5 91.683 16.561 3.116 1.00 0.00 O ATOM 75 OE2 GLU A 5 92.409 18.012 1.699 1.00 0.00 O ATOM 0 H GLU A 5 92.591 17.319 8.234 1.00 0.00 H new ATOM 0 HA GLU A 5 91.953 19.469 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 5 93.957 18.104 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 5 92.762 16.845 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 5 91.422 19.166 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 5 93.064 19.427 3.660 1.00 0.00 H new ATOM 82 N ASP A 6 89.797 18.382 7.084 1.00 0.00 N ATOM 83 CA ASP A 6 88.447 17.766 7.210 1.00 0.00 C ATOM 84 C ASP A 6 87.471 18.754 7.855 1.00 0.00 C ATOM 85 O ASP A 6 86.953 18.506 8.926 1.00 0.00 O ATOM 86 CB ASP A 6 88.651 16.548 8.110 1.00 0.00 C ATOM 87 CG ASP A 6 87.300 15.886 8.387 1.00 0.00 C ATOM 88 OD1 ASP A 6 86.883 15.074 7.577 1.00 0.00 O ATOM 89 OD2 ASP A 6 86.705 16.201 9.404 1.00 0.00 O ATOM 0 H ASP A 6 89.874 19.335 7.440 1.00 0.00 H new ATOM 0 HA ASP A 6 88.026 17.492 6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 6 89.325 15.837 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 6 89.119 16.849 9.047 1.00 0.00 H new ATOM 94 N PRO A 7 87.260 19.851 7.178 1.00 0.00 N ATOM 95 CA PRO A 7 86.344 20.898 7.685 1.00 0.00 C ATOM 96 C PRO A 7 84.887 20.567 7.341 1.00 0.00 C ATOM 97 O PRO A 7 84.044 21.439 7.270 1.00 0.00 O ATOM 98 CB PRO A 7 86.797 22.148 6.943 1.00 0.00 C ATOM 99 CG PRO A 7 87.446 21.657 5.682 1.00 0.00 C ATOM 100 CD PRO A 7 87.860 20.219 5.895 1.00 0.00 C ATOM 0 HA PRO A 7 86.379 21.003 8.769 1.00 0.00 H new ATOM 0 HB2 PRO A 7 85.952 22.800 6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 7 87.497 22.728 7.544 1.00 0.00 H new ATOM 0 HG2 PRO A 7 86.754 21.733 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 7 88.313 22.270 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 7 87.499 19.579 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 7 88.945 20.118 5.921 1.00 0.00 H new ATOM 108 N CYS A 8 84.584 19.318 7.127 1.00 0.00 N ATOM 109 CA CYS A 8 83.183 18.937 6.789 1.00 0.00 C ATOM 110 C CYS A 8 82.556 18.153 7.944 1.00 0.00 C ATOM 111 O CYS A 8 81.468 17.624 7.829 1.00 0.00 O ATOM 112 CB CYS A 8 83.303 18.055 5.545 1.00 0.00 C ATOM 113 SG CYS A 8 82.552 18.899 4.132 1.00 0.00 S ATOM 0 H CYS A 8 85.246 18.543 7.171 1.00 0.00 H new ATOM 0 HA CYS A 8 82.549 19.806 6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 8 84.351 17.840 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 8 82.809 17.098 5.715 1.00 0.00 H new ATOM 0 HG CYS A 8 82.656 18.151 3.074 1.00 0.00 H new ATOM 119 N THR A 9 83.236 18.074 9.058 1.00 0.00 N ATOM 120 CA THR A 9 82.685 17.325 10.229 1.00 0.00 C ATOM 121 C THR A 9 82.711 15.816 9.960 1.00 0.00 C ATOM 122 O THR A 9 82.284 15.024 10.777 1.00 0.00 O ATOM 123 CB THR A 9 81.244 17.815 10.381 1.00 0.00 C ATOM 124 OG1 THR A 9 81.180 19.198 10.063 1.00 0.00 O ATOM 125 CG2 THR A 9 80.778 17.598 11.822 1.00 0.00 C ATOM 0 H THR A 9 84.152 18.497 9.209 1.00 0.00 H new ATOM 0 HA THR A 9 83.270 17.496 11.132 1.00 0.00 H new ATOM 0 HB THR A 9 80.597 17.256 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 9 80.257 19.513 10.158 1.00 0.00 H new ATOM 0 HG21 THR A 9 79.751 17.948 11.929 1.00 0.00 H new ATOM 0 HG22 THR A 9 80.827 16.536 12.064 1.00 0.00 H new ATOM 0 HG23 THR A 9 81.423 18.155 12.501 1.00 0.00 H new ATOM 133 N SER A 10 83.208 15.413 8.823 1.00 0.00 N ATOM 134 CA SER A 10 83.261 13.957 8.507 1.00 0.00 C ATOM 135 C SER A 10 81.852 13.357 8.532 1.00 0.00 C ATOM 136 O SER A 10 81.666 12.199 8.849 1.00 0.00 O ATOM 137 CB SER A 10 84.124 13.343 9.608 1.00 0.00 C ATOM 138 OG SER A 10 83.285 12.717 10.570 1.00 0.00 O ATOM 0 H SER A 10 83.580 16.028 8.099 1.00 0.00 H new ATOM 0 HA SER A 10 83.669 13.766 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 10 84.814 12.615 9.181 1.00 0.00 H new ATOM 0 HB3 SER A 10 84.729 14.114 10.084 1.00 0.00 H new ATOM 0 HG SER A 10 82.810 13.402 11.085 1.00 0.00 H new ATOM 144 N LYS A 11 80.860 14.135 8.198 1.00 0.00 N ATOM 145 CA LYS A 11 79.466 13.606 8.201 1.00 0.00 C ATOM 146 C LYS A 11 79.117 13.034 6.825 1.00 0.00 C ATOM 147 O LYS A 11 78.701 11.899 6.702 1.00 0.00 O ATOM 148 CB LYS A 11 78.582 14.812 8.523 1.00 0.00 C ATOM 149 CG LYS A 11 77.803 14.545 9.813 1.00 0.00 C ATOM 150 CD LYS A 11 77.424 15.876 10.465 1.00 0.00 C ATOM 151 CE LYS A 11 76.633 16.725 9.468 1.00 0.00 C ATOM 152 NZ LYS A 11 75.298 16.916 10.100 1.00 0.00 N ATOM 0 H LYS A 11 80.953 15.113 7.923 1.00 0.00 H new ATOM 0 HA LYS A 11 79.331 12.801 8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.195 15.706 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 11 77.891 15.000 7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 11 76.906 13.966 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 11 78.407 13.951 10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 11 76.828 15.698 11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 11 78.322 16.408 10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 11 77.124 17.681 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 11 76.546 16.223 8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 74.697 17.490 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 74.851 15.990 10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 75.412 17.402 11.012 1.00 0.00 H new ATOM 166 N LYS A 12 79.289 13.808 5.788 1.00 0.00 N ATOM 167 CA LYS A 12 78.972 13.298 4.424 1.00 0.00 C ATOM 168 C LYS A 12 80.144 12.478 3.887 1.00 0.00 C ATOM 169 O LYS A 12 80.167 12.082 2.739 1.00 0.00 O ATOM 170 CB LYS A 12 78.745 14.546 3.571 1.00 0.00 C ATOM 171 CG LYS A 12 77.556 15.334 4.124 1.00 0.00 C ATOM 172 CD LYS A 12 77.380 16.624 3.320 1.00 0.00 C ATOM 173 CE LYS A 12 76.221 16.456 2.334 1.00 0.00 C ATOM 174 NZ LYS A 12 76.529 17.392 1.218 1.00 0.00 N ATOM 0 H LYS A 12 79.634 14.767 5.826 1.00 0.00 H new ATOM 0 HA LYS A 12 78.099 12.645 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 79.640 15.168 3.573 1.00 0.00 H new ATOM 0 HB3 LYS A 12 78.557 14.262 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 12 76.649 14.732 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 12 77.719 15.568 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 12 77.182 17.460 3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 12 78.299 16.858 2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 12 76.150 15.428 1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 12 75.267 16.699 2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 75.779 17.335 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 76.584 18.364 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 77.440 17.132 0.788 1.00 0.00 H new ATOM 188 N VAL A 13 81.111 12.212 4.717 1.00 0.00 N ATOM 189 CA VAL A 13 82.280 11.406 4.270 1.00 0.00 C ATOM 190 C VAL A 13 82.054 9.938 4.633 1.00 0.00 C ATOM 191 O VAL A 13 82.623 9.044 4.039 1.00 0.00 O ATOM 192 CB VAL A 13 83.474 11.974 5.036 1.00 0.00 C ATOM 193 CG1 VAL A 13 84.656 11.009 4.930 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.868 13.326 4.437 1.00 0.00 C ATOM 0 H VAL A 13 81.143 12.519 5.689 1.00 0.00 H new ATOM 0 HA VAL A 13 82.437 11.455 3.193 1.00 0.00 H new ATOM 0 HB VAL A 13 83.203 12.104 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.507 11.415 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 13 84.378 10.045 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.926 10.879 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.720 13.732 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 13 84.138 13.195 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.027 14.016 4.512 1.00 0.00 H new ATOM 204 N ARG A 14 81.218 9.686 5.604 1.00 0.00 N ATOM 205 CA ARG A 14 80.944 8.277 6.006 1.00 0.00 C ATOM 206 C ARG A 14 80.025 7.609 4.980 1.00 0.00 C ATOM 207 O ARG A 14 80.139 6.432 4.704 1.00 0.00 O ATOM 208 CB ARG A 14 80.247 8.380 7.363 1.00 0.00 C ATOM 209 CG ARG A 14 78.822 8.902 7.167 1.00 0.00 C ATOM 210 CD ARG A 14 78.264 9.381 8.509 1.00 0.00 C ATOM 211 NE ARG A 14 77.684 8.164 9.141 1.00 0.00 N ATOM 212 CZ ARG A 14 76.406 8.108 9.396 1.00 0.00 C ATOM 213 NH1 ARG A 14 75.814 9.110 9.987 1.00 0.00 N ATOM 214 NH2 ARG A 14 75.719 7.050 9.060 1.00 0.00 N ATOM 0 H ARG A 14 80.713 10.395 6.136 1.00 0.00 H new ATOM 0 HA ARG A 14 81.852 7.677 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 14 80.225 7.404 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 14 80.803 9.049 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 14 78.819 9.720 6.447 1.00 0.00 H new ATOM 0 HG3 ARG A 14 78.188 8.115 6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 14 79.048 9.813 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 14 77.507 10.152 8.369 1.00 0.00 H new ATOM 0 HE ARG A 14 78.286 7.374 9.374 1.00 0.00 H new ATOM 0 HH11 ARG A 14 76.351 9.937 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 14 74.815 9.066 10.186 1.00 0.00 H new ATOM 0 HH21 ARG A 14 76.182 6.267 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 14 74.720 7.006 9.259 1.00 0.00 H new ATOM 228 N ALA A 15 79.113 8.352 4.414 1.00 0.00 N ATOM 229 CA ALA A 15 78.188 7.759 3.409 1.00 0.00 C ATOM 230 C ALA A 15 78.960 7.345 2.154 1.00 0.00 C ATOM 231 O ALA A 15 78.477 6.582 1.341 1.00 0.00 O ATOM 232 CB ALA A 15 77.192 8.871 3.082 1.00 0.00 C ATOM 0 H ALA A 15 78.969 9.344 4.605 1.00 0.00 H new ATOM 0 HA ALA A 15 77.692 6.864 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.474 8.511 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.664 9.165 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.726 9.731 2.678 1.00 0.00 H new ATOM 238 N ALA A 16 80.154 7.845 1.987 1.00 0.00 N ATOM 239 CA ALA A 16 80.951 7.481 0.780 1.00 0.00 C ATOM 240 C ALA A 16 81.268 5.986 0.784 1.00 0.00 C ATOM 241 O ALA A 16 81.203 5.326 -0.233 1.00 0.00 O ATOM 242 CB ALA A 16 82.234 8.305 0.888 1.00 0.00 C ATOM 0 H ALA A 16 80.612 8.489 2.632 1.00 0.00 H new ATOM 0 HA ALA A 16 80.413 7.686 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.876 8.092 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.985 9.366 0.900 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.757 8.045 1.808 1.00 0.00 H new ATOM 248 N ARG A 17 81.606 5.447 1.919 1.00 0.00 N ATOM 249 CA ARG A 17 81.923 3.993 1.985 1.00 0.00 C ATOM 250 C ARG A 17 80.643 3.190 2.229 1.00 0.00 C ATOM 251 O ARG A 17 80.681 2.073 2.705 1.00 0.00 O ATOM 252 CB ARG A 17 82.884 3.846 3.165 1.00 0.00 C ATOM 253 CG ARG A 17 82.266 4.484 4.410 1.00 0.00 C ATOM 254 CD ARG A 17 83.002 5.786 4.734 1.00 0.00 C ATOM 255 NE ARG A 17 83.472 5.622 6.138 1.00 0.00 N ATOM 256 CZ ARG A 17 84.750 5.547 6.393 1.00 0.00 C ATOM 257 NH1 ARG A 17 85.566 6.441 5.906 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.211 4.577 7.135 1.00 0.00 N ATOM 0 H ARG A 17 81.677 5.948 2.804 1.00 0.00 H new ATOM 0 HA ARG A 17 82.362 3.622 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.092 2.792 3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.836 4.323 2.934 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.208 4.684 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.331 3.797 5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.838 5.947 4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.342 6.648 4.637 1.00 0.00 H new ATOM 0 HE ARG A 17 82.796 5.568 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 17 85.205 7.199 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 17 86.565 6.382 6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.573 3.878 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.210 4.518 7.335 1.00 0.00 H new ATOM 272 N THR A 18 79.509 3.751 1.906 1.00 0.00 N ATOM 273 CA THR A 18 78.229 3.018 2.120 1.00 0.00 C ATOM 274 C THR A 18 77.291 3.226 0.927 1.00 0.00 C ATOM 275 O THR A 18 77.321 4.249 0.272 1.00 0.00 O ATOM 276 CB THR A 18 77.629 3.631 3.387 1.00 0.00 C ATOM 277 OG1 THR A 18 78.450 3.309 4.501 1.00 0.00 O ATOM 278 CG2 THR A 18 76.222 3.074 3.610 1.00 0.00 C ATOM 0 H THR A 18 79.414 4.684 1.504 1.00 0.00 H new ATOM 0 HA THR A 18 78.381 1.943 2.219 1.00 0.00 H new ATOM 0 HB THR A 18 77.574 4.714 3.276 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.068 3.702 5.313 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.796 3.512 4.513 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.593 3.322 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.273 1.991 3.721 1.00 0.00 H new ATOM 286 N LEU A 19 76.458 2.263 0.643 1.00 0.00 N ATOM 287 CA LEU A 19 75.517 2.402 -0.504 1.00 0.00 C ATOM 288 C LEU A 19 74.197 1.692 -0.195 1.00 0.00 C ATOM 289 O LEU A 19 74.127 0.833 0.662 1.00 0.00 O ATOM 290 CB LEU A 19 76.224 1.734 -1.684 1.00 0.00 C ATOM 291 CG LEU A 19 76.637 0.314 -1.295 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.577 -0.677 -1.779 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.981 -0.019 -1.947 1.00 0.00 C ATOM 0 H LEU A 19 76.388 1.384 1.157 1.00 0.00 H new ATOM 0 HA LEU A 19 75.275 3.444 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.562 1.707 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.101 2.313 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 19 76.729 0.245 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.872 -1.689 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.619 -0.439 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.484 -0.610 -2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.278 -1.031 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.886 0.049 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.737 0.687 -1.604 1.00 0.00 H new ATOM 305 N LEU A 20 73.150 2.049 -0.884 1.00 0.00 N ATOM 306 CA LEU A 20 71.829 1.402 -0.630 1.00 0.00 C ATOM 307 C LEU A 20 71.548 0.323 -1.682 1.00 0.00 C ATOM 308 O LEU A 20 71.724 0.537 -2.864 1.00 0.00 O ATOM 309 CB LEU A 20 70.809 2.534 -0.747 1.00 0.00 C ATOM 310 CG LEU A 20 69.468 2.076 -0.173 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.421 2.383 1.324 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.332 2.819 -0.880 1.00 0.00 C ATOM 0 H LEU A 20 73.150 2.762 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 20 71.793 0.912 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.164 3.414 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.690 2.823 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 20 69.355 1.003 -0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.465 2.056 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.230 1.856 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.534 3.456 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.375 2.494 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.447 3.892 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.364 2.601 -1.948 1.00 0.00 H new ATOM 324 N ALA A 21 71.102 -0.831 -1.261 1.00 0.00 N ATOM 325 CA ALA A 21 70.800 -1.913 -2.240 1.00 0.00 C ATOM 326 C ALA A 21 69.315 -1.878 -2.607 1.00 0.00 C ATOM 327 O ALA A 21 68.457 -1.814 -1.749 1.00 0.00 O ATOM 328 CB ALA A 21 71.145 -3.214 -1.514 1.00 0.00 C ATOM 0 H ALA A 21 70.934 -1.070 -0.284 1.00 0.00 H new ATOM 0 HA ALA A 21 71.364 -1.807 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.949 -4.061 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.199 -3.207 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.533 -3.303 -0.616 1.00 0.00 H new ATOM 334 N LYS A 22 69.004 -1.914 -3.874 1.00 0.00 N ATOM 335 CA LYS A 22 67.572 -1.876 -4.288 1.00 0.00 C ATOM 336 C LYS A 22 67.278 -2.995 -5.290 1.00 0.00 C ATOM 337 O LYS A 22 68.131 -3.800 -5.606 1.00 0.00 O ATOM 338 CB LYS A 22 67.389 -0.508 -4.944 1.00 0.00 C ATOM 339 CG LYS A 22 65.982 0.017 -4.650 1.00 0.00 C ATOM 340 CD LYS A 22 65.513 0.898 -5.809 1.00 0.00 C ATOM 341 CE LYS A 22 65.216 2.307 -5.293 1.00 0.00 C ATOM 342 NZ LYS A 22 66.242 3.175 -5.935 1.00 0.00 N ATOM 0 H LYS A 22 69.677 -1.968 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 22 66.895 -2.021 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.135 0.191 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.542 -0.586 -6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.293 -0.816 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.982 0.589 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.279 0.937 -6.583 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.620 0.471 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.208 2.622 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.284 2.352 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 66.792 3.664 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 66.879 2.590 -6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 65.772 3.878 -6.541 1.00 0.00 H new ATOM 356 N ASN A 23 66.075 -3.049 -5.790 1.00 0.00 N ATOM 357 CA ASN A 23 65.722 -4.113 -6.772 1.00 0.00 C ATOM 358 C ASN A 23 65.835 -5.493 -6.118 1.00 0.00 C ATOM 359 O ASN A 23 65.856 -6.508 -6.785 1.00 0.00 O ATOM 360 CB ASN A 23 66.744 -3.967 -7.898 1.00 0.00 C ATOM 361 CG ASN A 23 66.095 -4.341 -9.232 1.00 0.00 C ATOM 362 OD1 ASN A 23 66.360 -3.723 -10.244 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.251 -5.335 -9.277 1.00 0.00 N ATOM 0 H ASN A 23 65.320 -2.402 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 23 64.699 -4.017 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 23 67.114 -2.942 -7.937 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.604 -4.609 -7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.814 -5.593 -10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.028 -5.854 -8.428 1.00 0.00 H new ATOM 370 N LEU A 24 65.906 -5.537 -4.816 1.00 0.00 N ATOM 371 CA LEU A 24 66.015 -6.850 -4.120 1.00 0.00 C ATOM 372 C LEU A 24 64.715 -7.640 -4.282 1.00 0.00 C ATOM 373 O LEU A 24 64.068 -7.586 -5.309 1.00 0.00 O ATOM 374 CB LEU A 24 66.251 -6.502 -2.650 1.00 0.00 C ATOM 375 CG LEU A 24 67.489 -5.611 -2.526 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.644 -5.152 -1.076 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.730 -6.402 -2.945 1.00 0.00 C ATOM 0 H LEU A 24 65.893 -4.721 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 24 66.816 -7.468 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.379 -5.990 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.386 -7.413 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 24 67.376 -4.741 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.526 -4.517 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.760 -4.589 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.757 -6.022 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.612 -5.768 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.842 -7.272 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.621 -6.730 -3.979 1.00 0.00 H new ATOM 389 N SER A 25 64.326 -8.371 -3.275 1.00 0.00 N ATOM 390 CA SER A 25 63.066 -9.162 -3.372 1.00 0.00 C ATOM 391 C SER A 25 62.544 -9.496 -1.972 1.00 0.00 C ATOM 392 O SER A 25 63.206 -9.264 -0.980 1.00 0.00 O ATOM 393 CB SER A 25 63.456 -10.438 -4.117 1.00 0.00 C ATOM 394 OG SER A 25 62.511 -10.686 -5.149 1.00 0.00 O ATOM 0 H SER A 25 64.825 -8.455 -2.389 1.00 0.00 H new ATOM 0 HA SER A 25 62.274 -8.617 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.455 -10.335 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.488 -11.281 -3.427 1.00 0.00 H new ATOM 0 HG SER A 25 62.451 -11.650 -5.313 1.00 0.00 H new ATOM 400 N PHE A 26 61.362 -10.042 -1.885 1.00 0.00 N ATOM 401 CA PHE A 26 60.799 -10.392 -0.553 1.00 0.00 C ATOM 402 C PHE A 26 61.520 -11.619 0.013 1.00 0.00 C ATOM 403 O PHE A 26 61.328 -11.994 1.153 1.00 0.00 O ATOM 404 CB PHE A 26 59.330 -10.710 -0.826 1.00 0.00 C ATOM 405 CG PHE A 26 58.469 -9.552 -0.380 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.317 -8.435 -1.210 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.821 -9.596 0.861 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.518 -7.362 -0.800 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.023 -8.522 1.271 1.00 0.00 C ATOM 410 CZ PHE A 26 56.871 -7.405 0.440 1.00 0.00 C ATOM 0 H PHE A 26 60.762 -10.261 -2.681 1.00 0.00 H new ATOM 0 HA PHE A 26 60.915 -9.590 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.180 -10.899 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.039 -11.617 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 26 58.817 -8.401 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.937 -10.458 1.501 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.401 -6.501 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.524 -8.555 2.228 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.254 -6.577 0.756 1.00 0.00 H new ATOM 420 N ASN A 27 62.346 -12.248 -0.778 1.00 0.00 N ATOM 421 CA ASN A 27 63.076 -13.447 -0.293 1.00 0.00 C ATOM 422 C ASN A 27 64.506 -13.076 0.109 1.00 0.00 C ATOM 423 O ASN A 27 64.974 -13.435 1.171 1.00 0.00 O ATOM 424 CB ASN A 27 63.085 -14.412 -1.480 1.00 0.00 C ATOM 425 CG ASN A 27 62.435 -15.734 -1.069 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.351 -15.748 -0.521 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.058 -16.856 -1.312 1.00 0.00 N ATOM 0 H ASN A 27 62.545 -11.980 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 27 62.606 -13.886 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.546 -13.976 -2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.108 -14.586 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 27 62.634 -17.744 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.968 -16.845 -1.772 1.00 0.00 H new ATOM 434 N ILE A 28 65.206 -12.363 -0.732 1.00 0.00 N ATOM 435 CA ILE A 28 66.605 -11.976 -0.393 1.00 0.00 C ATOM 436 C ILE A 28 66.646 -11.328 0.996 1.00 0.00 C ATOM 437 O ILE A 28 65.627 -11.016 1.578 1.00 0.00 O ATOM 438 CB ILE A 28 67.027 -10.995 -1.505 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.071 -11.674 -2.392 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.630 -9.711 -0.920 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.310 -10.824 -3.640 1.00 0.00 C ATOM 0 H ILE A 28 64.870 -12.033 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 28 67.284 -12.827 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 28 66.142 -10.726 -2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.003 -11.802 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 28 67.730 -12.669 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.917 -9.041 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.892 -9.218 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.510 -9.960 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.054 -11.308 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 28 67.377 -10.719 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.670 -9.838 -3.345 1.00 0.00 H new ATOM 453 N THR A 29 67.822 -11.127 1.523 1.00 0.00 N ATOM 454 CA THR A 29 67.943 -10.502 2.874 1.00 0.00 C ATOM 455 C THR A 29 69.381 -10.036 3.123 1.00 0.00 C ATOM 456 O THR A 29 70.251 -10.179 2.282 1.00 0.00 O ATOM 457 CB THR A 29 67.580 -11.615 3.859 1.00 0.00 C ATOM 458 OG1 THR A 29 68.097 -12.850 3.382 1.00 0.00 O ATOM 459 CG2 THR A 29 66.060 -11.713 3.997 1.00 0.00 C ATOM 0 H THR A 29 68.707 -11.368 1.077 1.00 0.00 H new ATOM 0 HA THR A 29 67.299 -9.628 2.976 1.00 0.00 H new ATOM 0 HB THR A 29 68.011 -11.390 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.886 -12.681 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.809 -12.507 4.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.666 -10.765 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.620 -11.936 3.025 1.00 0.00 H new ATOM 467 N GLU A 30 69.639 -9.493 4.282 1.00 0.00 N ATOM 468 CA GLU A 30 71.020 -9.034 4.594 1.00 0.00 C ATOM 469 C GLU A 30 72.006 -10.158 4.279 1.00 0.00 C ATOM 470 O GLU A 30 73.125 -9.924 3.868 1.00 0.00 O ATOM 471 CB GLU A 30 71.011 -8.727 6.092 1.00 0.00 C ATOM 472 CG GLU A 30 71.600 -7.336 6.333 1.00 0.00 C ATOM 473 CD GLU A 30 70.536 -6.274 6.050 1.00 0.00 C ATOM 474 OE1 GLU A 30 69.500 -6.316 6.693 1.00 0.00 O ATOM 475 OE2 GLU A 30 70.775 -5.436 5.196 1.00 0.00 O ATOM 0 H GLU A 30 68.954 -9.348 5.024 1.00 0.00 H new ATOM 0 HA GLU A 30 71.318 -8.162 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.992 -8.774 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.590 -9.477 6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.949 -7.251 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.465 -7.179 5.689 1.00 0.00 H new ATOM 482 N ASP A 31 71.587 -11.381 4.459 1.00 0.00 N ATOM 483 CA ASP A 31 72.487 -12.527 4.159 1.00 0.00 C ATOM 484 C ASP A 31 72.900 -12.477 2.691 1.00 0.00 C ATOM 485 O ASP A 31 74.068 -12.436 2.362 1.00 0.00 O ATOM 486 CB ASP A 31 71.652 -13.776 4.444 1.00 0.00 C ATOM 487 CG ASP A 31 72.570 -14.912 4.900 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.723 -14.912 4.501 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.104 -15.762 5.641 1.00 0.00 O ATOM 0 H ASP A 31 70.660 -11.635 4.801 1.00 0.00 H new ATOM 0 HA ASP A 31 73.400 -12.513 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.910 -13.562 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.106 -14.073 3.549 1.00 0.00 H new ATOM 494 N GLU A 32 71.945 -12.466 1.805 1.00 0.00 N ATOM 495 CA GLU A 32 72.279 -12.402 0.355 1.00 0.00 C ATOM 496 C GLU A 32 73.049 -11.116 0.065 1.00 0.00 C ATOM 497 O GLU A 32 73.948 -11.083 -0.756 1.00 0.00 O ATOM 498 CB GLU A 32 70.933 -12.399 -0.370 1.00 0.00 C ATOM 499 CG GLU A 32 70.428 -13.835 -0.519 1.00 0.00 C ATOM 500 CD GLU A 32 69.237 -14.058 0.414 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.025 -13.226 1.280 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.557 -15.057 0.246 1.00 0.00 O ATOM 0 H GLU A 32 70.949 -12.498 2.021 1.00 0.00 H new ATOM 0 HA GLU A 32 72.903 -13.235 0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.209 -11.804 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.038 -11.936 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 70.134 -14.023 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.226 -14.539 -0.282 1.00 0.00 H new ATOM 509 N LEU A 33 72.720 -10.059 0.753 1.00 0.00 N ATOM 510 CA LEU A 33 73.444 -8.782 0.536 1.00 0.00 C ATOM 511 C LEU A 33 74.849 -8.929 1.099 1.00 0.00 C ATOM 512 O LEU A 33 75.817 -8.458 0.534 1.00 0.00 O ATOM 513 CB LEU A 33 72.652 -7.730 1.313 1.00 0.00 C ATOM 514 CG LEU A 33 71.560 -7.148 0.414 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.389 -8.128 0.334 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.074 -5.820 0.997 1.00 0.00 C ATOM 0 H LEU A 33 71.981 -10.027 1.455 1.00 0.00 H new ATOM 0 HA LEU A 33 73.528 -8.506 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.206 -8.177 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.317 -6.937 1.655 1.00 0.00 H new ATOM 0 HG LEU A 33 71.963 -6.981 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.611 -7.713 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.735 -9.075 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.986 -8.295 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.296 -5.405 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.671 -5.987 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.908 -5.121 1.054 1.00 0.00 H new ATOM 528 N LYS A 34 74.966 -9.608 2.206 1.00 0.00 N ATOM 529 CA LYS A 34 76.305 -9.813 2.802 1.00 0.00 C ATOM 530 C LYS A 34 77.054 -10.862 1.990 1.00 0.00 C ATOM 531 O LYS A 34 78.268 -10.896 1.951 1.00 0.00 O ATOM 532 CB LYS A 34 76.049 -10.300 4.228 1.00 0.00 C ATOM 533 CG LYS A 34 77.361 -10.289 5.015 1.00 0.00 C ATOM 534 CD LYS A 34 77.786 -11.727 5.319 1.00 0.00 C ATOM 535 CE LYS A 34 78.583 -11.759 6.624 1.00 0.00 C ATOM 536 NZ LYS A 34 80.007 -11.632 6.207 1.00 0.00 N ATOM 0 H LYS A 34 74.191 -10.027 2.719 1.00 0.00 H new ATOM 0 HA LYS A 34 76.911 -8.907 2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.315 -9.659 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.632 -11.307 4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.137 -9.783 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.236 -9.732 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.908 -12.367 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 34 78.391 -12.119 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.291 -10.943 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.412 -12.688 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.618 -11.646 7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.258 -12.426 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.141 -10.736 5.697 1.00 0.00 H new ATOM 550 N GLU A 35 76.324 -11.707 1.326 1.00 0.00 N ATOM 551 CA GLU A 35 76.956 -12.754 0.488 1.00 0.00 C ATOM 552 C GLU A 35 77.296 -12.166 -0.881 1.00 0.00 C ATOM 553 O GLU A 35 78.191 -12.623 -1.563 1.00 0.00 O ATOM 554 CB GLU A 35 75.903 -13.855 0.358 1.00 0.00 C ATOM 555 CG GLU A 35 76.575 -15.223 0.489 1.00 0.00 C ATOM 556 CD GLU A 35 76.982 -15.455 1.945 1.00 0.00 C ATOM 557 OE1 GLU A 35 77.110 -14.480 2.667 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.160 -16.605 2.314 1.00 0.00 O ATOM 0 H GLU A 35 75.304 -11.716 1.329 1.00 0.00 H new ATOM 0 HA GLU A 35 77.881 -13.138 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.141 -13.737 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.397 -13.777 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.893 -16.008 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.452 -15.273 -0.157 1.00 0.00 H new ATOM 565 N VAL A 36 76.591 -11.140 -1.281 1.00 0.00 N ATOM 566 CA VAL A 36 76.876 -10.507 -2.595 1.00 0.00 C ATOM 567 C VAL A 36 78.020 -9.511 -2.431 1.00 0.00 C ATOM 568 O VAL A 36 78.917 -9.437 -3.248 1.00 0.00 O ATOM 569 CB VAL A 36 75.583 -9.787 -2.982 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.876 -8.749 -4.068 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.573 -10.806 -3.514 1.00 0.00 C ATOM 0 H VAL A 36 75.830 -10.715 -0.751 1.00 0.00 H new ATOM 0 HA VAL A 36 77.172 -11.227 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 36 75.172 -9.287 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.953 -8.238 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.596 -8.022 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.289 -9.247 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.651 -10.294 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.987 -11.306 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.360 -11.545 -2.741 1.00 0.00 H new ATOM 581 N PHE A 37 77.998 -8.745 -1.375 1.00 0.00 N ATOM 582 CA PHE A 37 79.080 -7.762 -1.153 1.00 0.00 C ATOM 583 C PHE A 37 80.298 -8.455 -0.545 1.00 0.00 C ATOM 584 O PHE A 37 81.414 -8.298 -1.000 1.00 0.00 O ATOM 585 CB PHE A 37 78.486 -6.751 -0.176 1.00 0.00 C ATOM 586 CG PHE A 37 77.101 -6.355 -0.629 1.00 0.00 C ATOM 587 CD1 PHE A 37 76.758 -6.424 -1.985 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.160 -5.918 0.309 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.473 -6.056 -2.402 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.875 -5.550 -0.107 1.00 0.00 C ATOM 591 CZ PHE A 37 74.531 -5.619 -1.463 1.00 0.00 C ATOM 0 H PHE A 37 77.273 -8.762 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 37 79.416 -7.288 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.442 -7.181 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 37 79.125 -5.870 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 37 77.485 -6.761 -2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.425 -5.864 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.209 -6.109 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.149 -5.213 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.540 -5.335 -1.784 1.00 0.00 H new ATOM 601 N GLU A 38 80.082 -9.223 0.480 1.00 0.00 N ATOM 602 CA GLU A 38 81.211 -9.945 1.138 1.00 0.00 C ATOM 603 C GLU A 38 82.445 -9.043 1.227 1.00 0.00 C ATOM 604 O GLU A 38 83.566 -9.511 1.250 1.00 0.00 O ATOM 605 CB GLU A 38 81.490 -11.148 0.237 1.00 0.00 C ATOM 606 CG GLU A 38 81.043 -12.430 0.943 1.00 0.00 C ATOM 607 CD GLU A 38 81.852 -12.614 2.228 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.684 -11.767 2.507 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.625 -13.599 2.911 1.00 0.00 O ATOM 0 H GLU A 38 79.166 -9.386 0.897 1.00 0.00 H new ATOM 0 HA GLU A 38 80.967 -10.245 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.960 -11.038 -0.709 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.553 -11.201 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 38 79.979 -12.378 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.184 -13.288 0.286 1.00 0.00 H new ATOM 616 N ASP A 39 82.250 -7.754 1.277 1.00 0.00 N ATOM 617 CA ASP A 39 83.417 -6.828 1.364 1.00 0.00 C ATOM 618 C ASP A 39 83.022 -5.535 2.081 1.00 0.00 C ATOM 619 O ASP A 39 83.730 -4.549 2.033 1.00 0.00 O ATOM 620 CB ASP A 39 83.802 -6.540 -0.087 1.00 0.00 C ATOM 621 CG ASP A 39 85.305 -6.264 -0.171 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.030 -6.782 0.661 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.704 -5.539 -1.068 1.00 0.00 O ATOM 0 H ASP A 39 81.336 -7.302 1.261 1.00 0.00 H new ATOM 0 HA ASP A 39 84.243 -7.260 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.541 -7.389 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.242 -5.682 -0.459 1.00 0.00 H new ATOM 628 N ALA A 40 81.898 -5.526 2.745 1.00 0.00 N ATOM 629 CA ALA A 40 81.472 -4.291 3.459 1.00 0.00 C ATOM 630 C ALA A 40 81.386 -4.551 4.966 1.00 0.00 C ATOM 631 O ALA A 40 81.528 -5.669 5.421 1.00 0.00 O ATOM 632 CB ALA A 40 80.091 -3.961 2.892 1.00 0.00 C ATOM 0 H ALA A 40 81.259 -6.317 2.823 1.00 0.00 H new ATOM 0 HA ALA A 40 82.177 -3.471 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.707 -3.060 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.169 -3.797 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.411 -4.791 3.084 1.00 0.00 H new ATOM 638 N LEU A 41 81.154 -3.528 5.743 1.00 0.00 N ATOM 639 CA LEU A 41 81.058 -3.716 7.213 1.00 0.00 C ATOM 640 C LEU A 41 79.745 -4.409 7.564 1.00 0.00 C ATOM 641 O LEU A 41 79.696 -5.291 8.398 1.00 0.00 O ATOM 642 CB LEU A 41 81.081 -2.305 7.799 1.00 0.00 C ATOM 643 CG LEU A 41 82.310 -1.558 7.289 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.137 -0.061 7.550 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.551 -2.065 8.026 1.00 0.00 C ATOM 0 H LEU A 41 81.027 -2.569 5.419 1.00 0.00 H new ATOM 0 HA LEU A 41 81.867 -4.333 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.175 -1.769 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.098 -2.353 8.888 1.00 0.00 H new ATOM 0 HG LEU A 41 82.426 -1.729 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.014 0.475 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.250 0.299 7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.024 0.111 8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.431 -1.534 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.436 -1.890 9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.671 -3.133 7.844 1.00 0.00 H new ATOM 657 N GLU A 42 78.678 -4.010 6.932 1.00 0.00 N ATOM 658 CA GLU A 42 77.361 -4.638 7.227 1.00 0.00 C ATOM 659 C GLU A 42 76.279 -4.056 6.314 1.00 0.00 C ATOM 660 O GLU A 42 76.442 -2.999 5.734 1.00 0.00 O ATOM 661 CB GLU A 42 77.083 -4.293 8.692 1.00 0.00 C ATOM 662 CG GLU A 42 76.657 -2.828 8.804 1.00 0.00 C ATOM 663 CD GLU A 42 76.320 -2.504 10.261 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.898 -3.129 11.135 1.00 0.00 O ATOM 665 OE2 GLU A 42 75.490 -1.637 10.478 1.00 0.00 O ATOM 0 H GLU A 42 78.661 -3.276 6.224 1.00 0.00 H new ATOM 0 HA GLU A 42 77.365 -5.715 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.300 -4.941 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 42 77.975 -4.469 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.458 -2.178 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.791 -2.641 8.169 1.00 0.00 H new ATOM 672 N ILE A 43 75.175 -4.739 6.180 1.00 0.00 N ATOM 673 CA ILE A 43 74.085 -4.229 5.303 1.00 0.00 C ATOM 674 C ILE A 43 72.789 -4.069 6.096 1.00 0.00 C ATOM 675 O ILE A 43 72.504 -4.822 7.006 1.00 0.00 O ATOM 676 CB ILE A 43 73.912 -5.294 4.222 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.183 -5.375 3.376 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.728 -4.926 3.327 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.976 -6.624 3.764 1.00 0.00 C ATOM 0 H ILE A 43 74.981 -5.628 6.640 1.00 0.00 H new ATOM 0 HA ILE A 43 74.325 -3.252 4.885 1.00 0.00 H new ATOM 0 HB ILE A 43 73.726 -6.260 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.926 -5.409 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.791 -4.483 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.605 -5.686 2.556 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.821 -4.869 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.913 -3.960 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.882 -6.682 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.245 -6.571 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.367 -7.511 3.589 1.00 0.00 H new ATOM 691 N ARG A 44 71.999 -3.095 5.746 1.00 0.00 N ATOM 692 CA ARG A 44 70.712 -2.877 6.460 1.00 0.00 C ATOM 693 C ARG A 44 69.545 -3.188 5.519 1.00 0.00 C ATOM 694 O ARG A 44 69.723 -3.324 4.324 1.00 0.00 O ATOM 695 CB ARG A 44 70.728 -1.399 6.846 1.00 0.00 C ATOM 696 CG ARG A 44 71.040 -1.268 8.336 1.00 0.00 C ATOM 697 CD ARG A 44 69.733 -1.168 9.127 1.00 0.00 C ATOM 698 NE ARG A 44 69.247 0.219 8.893 1.00 0.00 N ATOM 699 CZ ARG A 44 68.625 0.862 9.843 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.172 0.215 10.882 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.455 2.153 9.755 1.00 0.00 N ATOM 0 H ARG A 44 72.191 -2.436 4.991 1.00 0.00 H new ATOM 0 HA ARG A 44 70.594 -3.518 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.476 -0.866 6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.763 -0.943 6.624 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.617 -2.129 8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.653 -0.384 8.513 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.006 -1.904 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.898 -1.355 10.188 1.00 0.00 H new ATOM 0 HE ARG A 44 69.400 0.667 7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 44 68.304 -0.794 10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 44 67.686 0.718 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 44 68.808 2.660 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 44 67.969 2.655 10.498 1.00 0.00 H new ATOM 715 N LEU A 45 68.356 -3.309 6.040 1.00 0.00 N ATOM 716 CA LEU A 45 67.192 -3.621 5.164 1.00 0.00 C ATOM 717 C LEU A 45 66.281 -2.401 5.036 1.00 0.00 C ATOM 718 O LEU A 45 66.342 -1.482 5.828 1.00 0.00 O ATOM 719 CB LEU A 45 66.461 -4.764 5.868 1.00 0.00 C ATOM 720 CG LEU A 45 65.497 -5.434 4.887 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.247 -5.809 3.608 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.919 -6.698 5.527 1.00 0.00 C ATOM 0 H LEU A 45 68.140 -3.206 7.031 1.00 0.00 H new ATOM 0 HA LEU A 45 67.499 -3.893 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.179 -5.493 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.913 -4.383 6.730 1.00 0.00 H new ATOM 0 HG LEU A 45 64.688 -4.745 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.559 -6.286 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.661 -4.910 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.056 -6.499 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.232 -7.177 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.729 -7.386 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.384 -6.432 6.439 1.00 0.00 H new ATOM 734 N VAL A 46 65.438 -2.385 4.042 1.00 0.00 N ATOM 735 CA VAL A 46 64.527 -1.224 3.862 1.00 0.00 C ATOM 736 C VAL A 46 63.279 -1.635 3.068 1.00 0.00 C ATOM 737 O VAL A 46 63.360 -2.189 1.977 1.00 0.00 O ATOM 738 CB VAL A 46 65.355 -0.191 3.099 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.461 0.978 2.688 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.479 0.320 4.003 1.00 0.00 C ATOM 0 H VAL A 46 65.341 -3.126 3.347 1.00 0.00 H new ATOM 0 HA VAL A 46 64.165 -0.829 4.811 1.00 0.00 H new ATOM 0 HB VAL A 46 65.781 -0.650 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.052 1.714 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.657 0.614 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.035 1.441 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.073 1.058 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.049 0.781 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.116 -0.514 4.298 1.00 0.00 H new ATOM 750 N SER A 47 62.125 -1.367 3.626 1.00 0.00 N ATOM 751 CA SER A 47 60.845 -1.727 2.953 1.00 0.00 C ATOM 752 C SER A 47 59.903 -0.520 2.930 1.00 0.00 C ATOM 753 O SER A 47 60.323 0.610 3.079 1.00 0.00 O ATOM 754 CB SER A 47 60.260 -2.845 3.814 1.00 0.00 C ATOM 755 OG SER A 47 59.832 -2.304 5.057 1.00 0.00 O ATOM 0 H SER A 47 62.017 -0.908 4.531 1.00 0.00 H new ATOM 0 HA SER A 47 60.989 -2.035 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.421 -3.315 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.007 -3.621 3.980 1.00 0.00 H new ATOM 0 HG SER A 47 59.454 -3.018 5.612 1.00 0.00 H new ATOM 761 N GLN A 48 58.632 -0.751 2.747 1.00 0.00 N ATOM 762 CA GLN A 48 57.665 0.383 2.718 1.00 0.00 C ATOM 763 C GLN A 48 57.248 0.758 4.143 1.00 0.00 C ATOM 764 O GLN A 48 57.797 0.265 5.109 1.00 0.00 O ATOM 765 CB GLN A 48 56.463 -0.139 1.929 1.00 0.00 C ATOM 766 CG GLN A 48 56.914 -0.554 0.527 1.00 0.00 C ATOM 767 CD GLN A 48 55.753 -0.378 -0.454 1.00 0.00 C ATOM 768 OE1 GLN A 48 55.586 0.676 -1.033 1.00 0.00 O ATOM 769 NE2 GLN A 48 54.938 -1.375 -0.666 1.00 0.00 N ATOM 0 H GLN A 48 58.221 -1.675 2.616 1.00 0.00 H new ATOM 0 HA GLN A 48 58.092 1.278 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.017 -0.989 2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.696 0.632 1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 48 57.765 0.051 0.213 1.00 0.00 H new ATOM 0 HG3 GLN A 48 57.246 -1.592 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 48 55.078 -2.261 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 48 54.161 -1.269 -1.318 1.00 0.00 H new ATOM 778 N ASP A 49 56.283 1.624 4.282 1.00 0.00 N ATOM 779 CA ASP A 49 55.834 2.026 5.646 1.00 0.00 C ATOM 780 C ASP A 49 55.719 0.793 6.546 1.00 0.00 C ATOM 781 O ASP A 49 55.838 0.878 7.752 1.00 0.00 O ATOM 782 CB ASP A 49 54.462 2.669 5.439 1.00 0.00 C ATOM 783 CG ASP A 49 53.788 2.884 6.796 1.00 0.00 C ATOM 784 OD1 ASP A 49 54.503 3.028 7.774 1.00 0.00 O ATOM 785 OD2 ASP A 49 52.569 2.901 6.833 1.00 0.00 O ATOM 0 H ASP A 49 55.786 2.071 3.512 1.00 0.00 H new ATOM 0 HA ASP A 49 56.534 2.709 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.570 3.621 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 49 53.841 2.031 4.810 1.00 0.00 H new ATOM 790 N GLY A 50 55.488 -0.353 5.967 1.00 0.00 N ATOM 791 CA GLY A 50 55.365 -1.592 6.786 1.00 0.00 C ATOM 792 C GLY A 50 55.186 -2.797 5.861 1.00 0.00 C ATOM 793 O GLY A 50 54.254 -3.565 5.999 1.00 0.00 O ATOM 0 H GLY A 50 55.379 -0.485 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.254 -1.723 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.515 -1.510 7.464 1.00 0.00 H new ATOM 797 N LYS A 51 56.072 -2.970 4.918 1.00 0.00 N ATOM 798 CA LYS A 51 55.955 -4.124 3.983 1.00 0.00 C ATOM 799 C LYS A 51 57.220 -4.217 3.137 1.00 0.00 C ATOM 800 O LYS A 51 57.552 -3.302 2.410 1.00 0.00 O ATOM 801 CB LYS A 51 54.741 -3.808 3.109 1.00 0.00 C ATOM 802 CG LYS A 51 54.148 -5.111 2.569 1.00 0.00 C ATOM 803 CD LYS A 51 52.663 -4.908 2.260 1.00 0.00 C ATOM 804 CE LYS A 51 51.875 -4.829 3.570 1.00 0.00 C ATOM 805 NZ LYS A 51 50.579 -5.503 3.279 1.00 0.00 N ATOM 0 H LYS A 51 56.873 -2.360 4.755 1.00 0.00 H new ATOM 0 HA LYS A 51 55.837 -5.077 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 51 53.992 -3.268 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.033 -3.159 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.679 -5.418 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.272 -5.910 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 51 52.522 -3.994 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 51 52.292 -5.731 1.649 1.00 0.00 H new ATOM 0 HE2 LYS A 51 52.406 -5.327 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.722 -3.794 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 49.982 -5.490 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 50.093 -5.003 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 50.756 -6.488 2.996 1.00 0.00 H new ATOM 819 N SER A 52 57.931 -5.310 3.235 1.00 0.00 N ATOM 820 CA SER A 52 59.185 -5.463 2.449 1.00 0.00 C ATOM 821 C SER A 52 59.029 -4.845 1.062 1.00 0.00 C ATOM 822 O SER A 52 58.103 -5.138 0.334 1.00 0.00 O ATOM 823 CB SER A 52 59.403 -6.965 2.338 1.00 0.00 C ATOM 824 OG SER A 52 60.794 -7.247 2.419 1.00 0.00 O ATOM 0 H SER A 52 57.694 -6.105 3.829 1.00 0.00 H new ATOM 0 HA SER A 52 60.027 -4.960 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.869 -7.481 3.136 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.000 -7.333 1.395 1.00 0.00 H new ATOM 0 HG SER A 52 60.936 -8.214 2.349 1.00 0.00 H new ATOM 830 N LYS A 53 59.937 -3.994 0.698 1.00 0.00 N ATOM 831 CA LYS A 53 59.869 -3.348 -0.640 1.00 0.00 C ATOM 832 C LYS A 53 61.048 -3.823 -1.482 1.00 0.00 C ATOM 833 O LYS A 53 61.048 -3.723 -2.693 1.00 0.00 O ATOM 834 CB LYS A 53 59.966 -1.846 -0.368 1.00 0.00 C ATOM 835 CG LYS A 53 59.838 -1.079 -1.686 1.00 0.00 C ATOM 836 CD LYS A 53 58.439 -1.293 -2.268 1.00 0.00 C ATOM 837 CE LYS A 53 57.959 -0.002 -2.935 1.00 0.00 C ATOM 838 NZ LYS A 53 57.276 -0.445 -4.183 1.00 0.00 N ATOM 0 H LYS A 53 60.732 -3.713 1.273 1.00 0.00 H new ATOM 0 HA LYS A 53 58.956 -3.592 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.180 -1.539 0.321 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.918 -1.613 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.015 -0.017 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.594 -1.421 -2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.457 -2.105 -2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.747 -1.586 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 53 57.278 0.548 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.794 0.662 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.919 0.386 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 57.951 -0.960 -4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.481 -1.070 -3.941 1.00 0.00 H new ATOM 852 N GLY A 54 62.052 -4.352 -0.840 1.00 0.00 N ATOM 853 CA GLY A 54 63.235 -4.849 -1.586 1.00 0.00 C ATOM 854 C GLY A 54 64.384 -3.845 -1.474 1.00 0.00 C ATOM 855 O GLY A 54 65.253 -3.798 -2.321 1.00 0.00 O ATOM 0 H GLY A 54 62.102 -4.461 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.546 -5.815 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 54 62.976 -5.003 -2.634 1.00 0.00 H new ATOM 859 N ILE A 55 64.410 -3.043 -0.439 1.00 0.00 N ATOM 860 CA ILE A 55 65.523 -2.064 -0.309 1.00 0.00 C ATOM 861 C ILE A 55 66.403 -2.441 0.882 1.00 0.00 C ATOM 862 O ILE A 55 65.964 -3.100 1.802 1.00 0.00 O ATOM 863 CB ILE A 55 64.842 -0.713 -0.081 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.676 -0.559 -1.061 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.852 0.411 -0.317 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.215 -0.489 -2.490 1.00 0.00 C ATOM 0 H ILE A 55 63.718 -3.026 0.310 1.00 0.00 H new ATOM 0 HA ILE A 55 66.168 -2.041 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 55 64.469 -0.662 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.990 -1.400 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.110 0.343 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.369 1.374 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.686 0.302 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.222 0.358 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.384 -0.379 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.884 0.366 -2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.762 -1.404 -2.718 1.00 0.00 H new ATOM 878 N ALA A 56 67.641 -2.035 0.874 1.00 0.00 N ATOM 879 CA ALA A 56 68.539 -2.379 2.010 1.00 0.00 C ATOM 880 C ALA A 56 69.745 -1.442 2.021 1.00 0.00 C ATOM 881 O ALA A 56 70.249 -1.055 0.987 1.00 0.00 O ATOM 882 CB ALA A 56 68.980 -3.819 1.744 1.00 0.00 C ATOM 0 H ALA A 56 68.069 -1.481 0.132 1.00 0.00 H new ATOM 0 HA ALA A 56 68.046 -2.278 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.647 -4.148 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.105 -4.468 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.503 -3.869 0.789 1.00 0.00 H new ATOM 888 N TYR A 57 70.218 -1.074 3.177 1.00 0.00 N ATOM 889 CA TYR A 57 71.395 -0.166 3.234 1.00 0.00 C ATOM 890 C TYR A 57 72.679 -0.995 3.258 1.00 0.00 C ATOM 891 O TYR A 57 72.672 -2.151 3.629 1.00 0.00 O ATOM 892 CB TYR A 57 71.233 0.625 4.532 1.00 0.00 C ATOM 893 CG TYR A 57 70.902 2.061 4.205 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.725 2.788 3.337 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.772 2.666 4.768 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.419 4.120 3.032 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.465 3.998 4.463 1.00 0.00 C ATOM 898 CZ TYR A 57 70.289 4.725 3.595 1.00 0.00 C ATOM 899 OH TYR A 57 69.988 6.037 3.295 1.00 0.00 O ATOM 0 H TYR A 57 69.843 -1.361 4.081 1.00 0.00 H new ATOM 0 HA TYR A 57 71.455 0.497 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.442 0.187 5.141 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.151 0.576 5.118 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.597 2.321 2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.137 2.105 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.055 4.681 2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.593 4.464 4.897 1.00 0.00 H new ATOM 0 HH TYR A 57 69.171 6.302 3.768 1.00 0.00 H new ATOM 909 N ILE A 58 73.777 -0.425 2.858 1.00 0.00 N ATOM 910 CA ILE A 58 75.049 -1.201 2.856 1.00 0.00 C ATOM 911 C ILE A 58 76.223 -0.277 3.179 1.00 0.00 C ATOM 912 O ILE A 58 76.514 0.650 2.450 1.00 0.00 O ATOM 913 CB ILE A 58 75.176 -1.768 1.436 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.793 -2.175 0.913 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.083 -2.998 1.459 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.940 -2.905 -0.423 1.00 0.00 C ATOM 0 H ILE A 58 73.852 0.539 2.534 1.00 0.00 H new ATOM 0 HA ILE A 58 75.052 -1.994 3.604 1.00 0.00 H new ATOM 0 HB ILE A 58 75.602 -1.006 0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.295 -2.820 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.166 -1.292 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.174 -3.402 0.451 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.069 -2.716 1.827 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.653 -3.755 2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.955 -3.192 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.420 -2.246 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.550 -3.798 -0.285 1.00 0.00 H new ATOM 928 N GLU A 59 76.903 -0.520 4.266 1.00 0.00 N ATOM 929 CA GLU A 59 78.058 0.353 4.626 1.00 0.00 C ATOM 930 C GLU A 59 79.360 -0.446 4.545 1.00 0.00 C ATOM 931 O GLU A 59 79.605 -1.338 5.332 1.00 0.00 O ATOM 932 CB GLU A 59 77.800 0.838 6.063 1.00 0.00 C ATOM 933 CG GLU A 59 76.988 -0.195 6.854 1.00 0.00 C ATOM 934 CD GLU A 59 77.100 0.109 8.350 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.208 0.076 8.860 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.076 0.369 8.960 1.00 0.00 O ATOM 0 H GLU A 59 76.711 -1.281 4.918 1.00 0.00 H new ATOM 0 HA GLU A 59 78.155 1.198 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.750 1.021 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.264 1.787 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.944 -0.168 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.357 -1.200 6.647 1.00 0.00 H new ATOM 943 N PHE A 60 80.192 -0.134 3.590 1.00 0.00 N ATOM 944 CA PHE A 60 81.475 -0.877 3.445 1.00 0.00 C ATOM 945 C PHE A 60 82.549 -0.278 4.353 1.00 0.00 C ATOM 946 O PHE A 60 82.308 0.660 5.086 1.00 0.00 O ATOM 947 CB PHE A 60 81.868 -0.712 1.978 1.00 0.00 C ATOM 948 CG PHE A 60 80.927 -1.513 1.111 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.603 -1.090 0.936 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.379 -2.678 0.479 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.732 -1.833 0.130 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.507 -3.420 -0.328 1.00 0.00 C ATOM 953 CZ PHE A 60 79.184 -2.997 -0.502 1.00 0.00 C ATOM 0 H PHE A 60 80.038 0.604 2.903 1.00 0.00 H new ATOM 0 HA PHE A 60 81.372 -1.925 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.831 0.340 1.697 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.894 -1.047 1.826 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.254 -0.191 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.400 -3.004 0.614 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.711 -1.508 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.855 -4.318 -0.816 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.512 -3.569 -1.124 1.00 0.00 H new ATOM 963 N LYS A 61 83.736 -0.816 4.305 1.00 0.00 N ATOM 964 CA LYS A 61 84.834 -0.282 5.160 1.00 0.00 C ATOM 965 C LYS A 61 85.425 0.979 4.526 1.00 0.00 C ATOM 966 O LYS A 61 86.086 1.763 5.178 1.00 0.00 O ATOM 967 CB LYS A 61 85.876 -1.399 5.210 1.00 0.00 C ATOM 968 CG LYS A 61 87.203 -0.839 5.726 1.00 0.00 C ATOM 969 CD LYS A 61 88.237 -1.963 5.803 1.00 0.00 C ATOM 970 CE LYS A 61 89.458 -1.594 4.957 1.00 0.00 C ATOM 971 NZ LYS A 61 89.946 -2.886 4.400 1.00 0.00 N ATOM 0 H LYS A 61 83.994 -1.603 3.710 1.00 0.00 H new ATOM 0 HA LYS A 61 84.488 -0.006 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.531 -2.203 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.012 -1.828 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.558 -0.049 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.063 -0.392 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.535 -2.127 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.802 -2.896 5.445 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.191 -0.897 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 61 90.225 -1.110 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.783 -2.714 3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.199 -3.527 5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.197 -3.320 3.824 1.00 0.00 H new ATOM 985 N SER A 62 85.191 1.180 3.258 1.00 0.00 N ATOM 986 CA SER A 62 85.739 2.390 2.580 1.00 0.00 C ATOM 987 C SER A 62 85.024 2.619 1.246 1.00 0.00 C ATOM 988 O SER A 62 84.397 1.728 0.703 1.00 0.00 O ATOM 989 CB SER A 62 87.217 2.081 2.348 1.00 0.00 C ATOM 990 OG SER A 62 87.736 1.389 3.477 1.00 0.00 O ATOM 0 H SER A 62 84.644 0.559 2.662 1.00 0.00 H new ATOM 0 HA SER A 62 85.600 3.293 3.174 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.337 1.476 1.449 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.772 3.005 2.187 1.00 0.00 H new ATOM 0 HG SER A 62 87.565 1.912 4.288 1.00 0.00 H new ATOM 996 N GLU A 63 85.114 3.807 0.712 1.00 0.00 N ATOM 997 CA GLU A 63 84.443 4.092 -0.588 1.00 0.00 C ATOM 998 C GLU A 63 84.888 3.075 -1.641 1.00 0.00 C ATOM 999 O GLU A 63 84.089 2.558 -2.395 1.00 0.00 O ATOM 1000 CB GLU A 63 84.901 5.499 -0.972 1.00 0.00 C ATOM 1001 CG GLU A 63 84.538 5.775 -2.432 1.00 0.00 C ATOM 1002 CD GLU A 63 83.866 7.145 -2.542 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.527 8.131 -2.264 1.00 0.00 O ATOM 1004 OE2 GLU A 63 82.701 7.183 -2.901 1.00 0.00 O ATOM 0 H GLU A 63 85.623 4.592 1.120 1.00 0.00 H new ATOM 0 HA GLU A 63 83.357 4.025 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.428 6.236 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.978 5.594 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.434 5.747 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.869 4.999 -2.804 1.00 0.00 H new ATOM 1011 N ALA A 64 86.159 2.782 -1.695 1.00 0.00 N ATOM 1012 CA ALA A 64 86.649 1.797 -2.695 1.00 0.00 C ATOM 1013 C ALA A 64 85.980 0.445 -2.458 1.00 0.00 C ATOM 1014 O ALA A 64 85.704 -0.295 -3.381 1.00 0.00 O ATOM 1015 CB ALA A 64 88.157 1.704 -2.461 1.00 0.00 C ATOM 0 H ALA A 64 86.876 3.182 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 64 86.421 2.093 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.591 0.993 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.609 2.684 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.347 1.368 -1.442 1.00 0.00 H new ATOM 1021 N ASP A 65 85.701 0.123 -1.225 1.00 0.00 N ATOM 1022 CA ASP A 65 85.032 -1.173 -0.932 1.00 0.00 C ATOM 1023 C ASP A 65 83.584 -1.100 -1.410 1.00 0.00 C ATOM 1024 O ASP A 65 83.136 -1.904 -2.204 1.00 0.00 O ATOM 1025 CB ASP A 65 85.094 -1.323 0.588 1.00 0.00 C ATOM 1026 CG ASP A 65 86.556 -1.364 1.038 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.311 -2.128 0.460 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.895 -0.631 1.952 1.00 0.00 O ATOM 0 H ASP A 65 85.907 0.701 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 65 85.504 -2.019 -1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.578 -0.491 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.582 -2.235 0.895 1.00 0.00 H new ATOM 1033 N ALA A 66 82.855 -0.124 -0.943 1.00 0.00 N ATOM 1034 CA ALA A 66 81.439 0.021 -1.380 1.00 0.00 C ATOM 1035 C ALA A 66 81.385 0.276 -2.889 1.00 0.00 C ATOM 1036 O ALA A 66 80.453 -0.116 -3.562 1.00 0.00 O ATOM 1037 CB ALA A 66 80.910 1.232 -0.611 1.00 0.00 C ATOM 0 H ALA A 66 83.179 0.579 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 66 80.847 -0.873 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.868 1.406 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.983 1.043 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.502 2.111 -0.866 1.00 0.00 H new ATOM 1043 N GLU A 67 82.381 0.930 -3.426 1.00 0.00 N ATOM 1044 CA GLU A 67 82.389 1.207 -4.887 1.00 0.00 C ATOM 1045 C GLU A 67 82.827 -0.042 -5.657 1.00 0.00 C ATOM 1046 O GLU A 67 82.178 -0.467 -6.595 1.00 0.00 O ATOM 1047 CB GLU A 67 83.404 2.335 -5.072 1.00 0.00 C ATOM 1048 CG GLU A 67 83.499 2.699 -6.555 1.00 0.00 C ATOM 1049 CD GLU A 67 83.356 4.213 -6.720 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.755 4.829 -5.855 1.00 0.00 O ATOM 1051 OE2 GLU A 67 83.850 4.730 -7.708 1.00 0.00 O ATOM 0 H GLU A 67 83.189 1.283 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 67 81.403 1.483 -5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.104 3.207 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.380 2.025 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.454 2.367 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.718 2.186 -7.117 1.00 0.00 H new ATOM 1058 N LYS A 68 83.919 -0.638 -5.261 1.00 0.00 N ATOM 1059 CA LYS A 68 84.393 -1.861 -5.964 1.00 0.00 C ATOM 1060 C LYS A 68 83.301 -2.925 -5.919 1.00 0.00 C ATOM 1061 O LYS A 68 83.068 -3.634 -6.876 1.00 0.00 O ATOM 1062 CB LYS A 68 85.626 -2.318 -5.184 1.00 0.00 C ATOM 1063 CG LYS A 68 86.137 -3.638 -5.764 1.00 0.00 C ATOM 1064 CD LYS A 68 86.459 -3.453 -7.249 1.00 0.00 C ATOM 1065 CE LYS A 68 87.701 -4.271 -7.608 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.850 -3.455 -7.127 1.00 0.00 N ATOM 0 H LYS A 68 84.502 -0.330 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 68 84.629 -1.680 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.406 -1.559 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.377 -2.444 -4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 68 87.027 -3.963 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.386 -4.418 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.613 -3.771 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.630 -2.399 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.682 -5.249 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.762 -4.445 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.373 -3.077 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 88.498 -2.668 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 89.483 -4.050 -6.556 1.00 0.00 H new ATOM 1080 N ASN A 69 82.621 -3.032 -4.812 1.00 0.00 N ATOM 1081 CA ASN A 69 81.532 -4.040 -4.702 1.00 0.00 C ATOM 1082 C ASN A 69 80.300 -3.553 -5.466 1.00 0.00 C ATOM 1083 O ASN A 69 79.754 -4.252 -6.299 1.00 0.00 O ATOM 1084 CB ASN A 69 81.236 -4.135 -3.207 1.00 0.00 C ATOM 1085 CG ASN A 69 81.926 -5.369 -2.627 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.288 -6.212 -2.030 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.215 -5.512 -2.780 1.00 0.00 N ATOM 0 H ASN A 69 82.773 -2.464 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 69 81.809 -5.007 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.586 -3.237 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.160 -4.196 -3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.686 -6.332 -2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.751 -4.804 -3.282 1.00 0.00 H new ATOM 1094 N LEU A 70 79.863 -2.354 -5.193 1.00 0.00 N ATOM 1095 CA LEU A 70 78.671 -1.813 -5.905 1.00 0.00 C ATOM 1096 C LEU A 70 78.860 -1.952 -7.417 1.00 0.00 C ATOM 1097 O LEU A 70 77.915 -2.140 -8.156 1.00 0.00 O ATOM 1098 CB LEU A 70 78.605 -0.337 -5.498 1.00 0.00 C ATOM 1099 CG LEU A 70 77.742 0.439 -6.496 1.00 0.00 C ATOM 1100 CD1 LEU A 70 77.014 1.571 -5.771 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.636 1.028 -7.589 1.00 0.00 C ATOM 0 H LEU A 70 80.281 -1.725 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 70 77.754 -2.344 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.188 -0.245 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.609 0.086 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 70 77.011 -0.234 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.400 2.123 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.378 1.153 -4.990 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.744 2.245 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 70 78.024 1.581 -8.301 1.00 0.00 H new ATOM 0 HD22 LEU A 70 79.366 1.701 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.156 0.222 -8.107 1.00 0.00 H new ATOM 1113 N GLU A 71 80.075 -1.861 -7.879 1.00 0.00 N ATOM 1114 CA GLU A 71 80.327 -1.988 -9.340 1.00 0.00 C ATOM 1115 C GLU A 71 80.665 -3.442 -9.691 1.00 0.00 C ATOM 1116 O GLU A 71 80.079 -4.028 -10.580 1.00 0.00 O ATOM 1117 CB GLU A 71 81.520 -1.067 -9.607 1.00 0.00 C ATOM 1118 CG GLU A 71 82.199 -1.464 -10.918 1.00 0.00 C ATOM 1119 CD GLU A 71 82.377 -0.225 -11.797 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.384 0.424 -12.080 1.00 0.00 O ATOM 1121 OE2 GLU A 71 83.504 0.053 -12.174 1.00 0.00 O ATOM 0 H GLU A 71 80.905 -1.704 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 71 79.461 -1.716 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.186 -0.031 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.232 -1.132 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.168 -1.920 -10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.599 -2.210 -11.439 1.00 0.00 H new ATOM 1128 N GLU A 72 81.609 -4.024 -9.004 1.00 0.00 N ATOM 1129 CA GLU A 72 81.989 -5.433 -9.301 1.00 0.00 C ATOM 1130 C GLU A 72 80.749 -6.332 -9.330 1.00 0.00 C ATOM 1131 O GLU A 72 80.708 -7.320 -10.035 1.00 0.00 O ATOM 1132 CB GLU A 72 82.920 -5.845 -8.161 1.00 0.00 C ATOM 1133 CG GLU A 72 83.268 -7.329 -8.296 1.00 0.00 C ATOM 1134 CD GLU A 72 84.603 -7.607 -7.603 1.00 0.00 C ATOM 1135 OE1 GLU A 72 85.589 -7.007 -7.999 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.617 -8.415 -6.689 1.00 0.00 O ATOM 0 H GLU A 72 82.134 -3.584 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 72 82.468 -5.527 -10.275 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.829 -5.244 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.440 -5.659 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.482 -7.939 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 72 83.329 -7.605 -9.349 1.00 0.00 H new ATOM 1143 N LYS A 73 79.740 -6.004 -8.569 1.00 0.00 N ATOM 1144 CA LYS A 73 78.515 -6.851 -8.561 1.00 0.00 C ATOM 1145 C LYS A 73 77.354 -6.108 -9.219 1.00 0.00 C ATOM 1146 O LYS A 73 76.832 -6.525 -10.234 1.00 0.00 O ATOM 1147 CB LYS A 73 78.219 -7.106 -7.082 1.00 0.00 C ATOM 1148 CG LYS A 73 79.375 -7.890 -6.458 1.00 0.00 C ATOM 1149 CD LYS A 73 78.950 -9.344 -6.245 1.00 0.00 C ATOM 1150 CE LYS A 73 80.171 -10.182 -5.854 1.00 0.00 C ATOM 1151 NZ LYS A 73 79.622 -11.308 -5.050 1.00 0.00 N ATOM 0 H LYS A 73 79.712 -5.190 -7.955 1.00 0.00 H new ATOM 0 HA LYS A 73 78.652 -7.779 -9.115 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.083 -6.159 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.289 -7.664 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.250 -7.847 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.661 -7.441 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.191 -9.401 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.501 -9.740 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.699 -10.546 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.884 -9.595 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.401 -11.919 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.117 -10.930 -4.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.964 -11.863 -5.634 1.00 0.00 H new ATOM 1165 N GLN A 74 76.951 -5.009 -8.646 1.00 0.00 N ATOM 1166 CA GLN A 74 75.820 -4.226 -9.229 1.00 0.00 C ATOM 1167 C GLN A 74 74.730 -5.169 -9.747 1.00 0.00 C ATOM 1168 O GLN A 74 74.709 -5.527 -10.908 1.00 0.00 O ATOM 1169 CB GLN A 74 76.438 -3.437 -10.384 1.00 0.00 C ATOM 1170 CG GLN A 74 75.400 -2.468 -10.953 1.00 0.00 C ATOM 1171 CD GLN A 74 74.963 -1.487 -9.863 1.00 0.00 C ATOM 1172 OE1 GLN A 74 74.037 -1.755 -9.123 1.00 0.00 O ATOM 1173 NE2 GLN A 74 75.596 -0.353 -9.732 1.00 0.00 N ATOM 0 H GLN A 74 77.356 -4.616 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 74 75.350 -3.573 -8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.312 -2.887 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.780 -4.119 -11.163 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.820 -1.924 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.538 -3.021 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 74 76.373 -0.128 -10.353 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.313 0.308 -9.009 1.00 0.00 H new ATOM 1182 N GLY A 75 73.828 -5.578 -8.897 1.00 0.00 N ATOM 1183 CA GLY A 75 72.747 -6.500 -9.348 1.00 0.00 C ATOM 1184 C GLY A 75 73.071 -7.925 -8.891 1.00 0.00 C ATOM 1185 O GLY A 75 72.355 -8.516 -8.108 1.00 0.00 O ATOM 0 H GLY A 75 73.793 -5.314 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.789 -6.183 -8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.655 -6.467 -10.434 1.00 0.00 H new ATOM 1189 N ALA A 76 74.148 -8.477 -9.378 1.00 0.00 N ATOM 1190 CA ALA A 76 74.531 -9.864 -8.979 1.00 0.00 C ATOM 1191 C ALA A 76 73.409 -10.848 -9.311 1.00 0.00 C ATOM 1192 O ALA A 76 73.391 -11.965 -8.833 1.00 0.00 O ATOM 1193 CB ALA A 76 74.764 -9.797 -7.470 1.00 0.00 C ATOM 0 H ALA A 76 74.783 -8.027 -10.038 1.00 0.00 H new ATOM 0 HA ALA A 76 75.417 -10.212 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.050 -10.782 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.561 -9.084 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.848 -9.476 -6.974 1.00 0.00 H new ATOM 1199 N GLU A 77 72.489 -10.435 -10.137 1.00 0.00 N ATOM 1200 CA GLU A 77 71.352 -11.324 -10.537 1.00 0.00 C ATOM 1201 C GLU A 77 70.963 -12.275 -9.398 1.00 0.00 C ATOM 1202 O GLU A 77 71.487 -13.366 -9.285 1.00 0.00 O ATOM 1203 CB GLU A 77 71.878 -12.116 -11.734 1.00 0.00 C ATOM 1204 CG GLU A 77 70.700 -12.667 -12.540 1.00 0.00 C ATOM 1205 CD GLU A 77 71.132 -13.938 -13.273 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.304 -14.269 -13.204 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.284 -14.558 -13.893 1.00 0.00 O ATOM 0 H GLU A 77 72.473 -9.507 -10.560 1.00 0.00 H new ATOM 0 HA GLU A 77 70.457 -10.750 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.495 -11.476 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.512 -12.934 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.862 -12.884 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.355 -11.921 -13.256 1.00 0.00 H new ATOM 1214 N ILE A 78 70.049 -11.876 -8.556 1.00 0.00 N ATOM 1215 CA ILE A 78 69.634 -12.765 -7.434 1.00 0.00 C ATOM 1216 C ILE A 78 68.116 -12.730 -7.285 1.00 0.00 C ATOM 1217 O ILE A 78 67.460 -11.827 -7.758 1.00 0.00 O ATOM 1218 CB ILE A 78 70.284 -12.183 -6.181 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.683 -11.651 -6.508 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.393 -13.271 -5.112 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.253 -10.931 -5.285 1.00 0.00 C ATOM 0 H ILE A 78 69.573 -10.975 -8.596 1.00 0.00 H new ATOM 0 HA ILE A 78 69.934 -13.799 -7.605 1.00 0.00 H new ATOM 0 HB ILE A 78 69.669 -11.362 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.338 -12.473 -6.797 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.635 -10.968 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.857 -12.857 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.398 -13.641 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.002 -14.092 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.248 -10.552 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.602 -10.099 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.316 -11.628 -4.449 1.00 0.00 H new ATOM 1233 N ASP A 79 67.551 -13.695 -6.624 1.00 0.00 N ATOM 1234 CA ASP A 79 66.075 -13.697 -6.448 1.00 0.00 C ATOM 1235 C ASP A 79 65.389 -13.363 -7.776 1.00 0.00 C ATOM 1236 O ASP A 79 64.368 -12.706 -7.810 1.00 0.00 O ATOM 1237 CB ASP A 79 65.799 -12.608 -5.411 1.00 0.00 C ATOM 1238 CG ASP A 79 64.558 -12.979 -4.598 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.472 -12.922 -5.151 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.714 -13.315 -3.435 1.00 0.00 O ATOM 0 H ASP A 79 68.044 -14.480 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 79 65.695 -14.667 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.659 -12.494 -4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 79 65.649 -11.649 -5.907 1.00 0.00 H new ATOM 1245 N GLY A 80 65.943 -13.811 -8.871 1.00 0.00 N ATOM 1246 CA GLY A 80 65.329 -13.523 -10.193 1.00 0.00 C ATOM 1247 C GLY A 80 65.426 -12.025 -10.495 1.00 0.00 C ATOM 1248 O GLY A 80 64.795 -11.524 -11.404 1.00 0.00 O ATOM 0 H GLY A 80 66.798 -14.366 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.835 -14.094 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.285 -13.837 -10.196 1.00 0.00 H new ATOM 1252 N ARG A 81 66.213 -11.308 -9.740 1.00 0.00 N ATOM 1253 CA ARG A 81 66.357 -9.842 -9.980 1.00 0.00 C ATOM 1254 C ARG A 81 67.732 -9.369 -9.501 1.00 0.00 C ATOM 1255 O ARG A 81 68.177 -9.718 -8.426 1.00 0.00 O ATOM 1256 CB ARG A 81 65.251 -9.187 -9.150 1.00 0.00 C ATOM 1257 CG ARG A 81 63.942 -9.958 -9.332 1.00 0.00 C ATOM 1258 CD ARG A 81 62.810 -9.220 -8.614 1.00 0.00 C ATOM 1259 NE ARG A 81 62.050 -8.536 -9.695 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.153 -9.193 -10.379 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.203 -10.496 -10.438 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.207 -8.546 -11.003 1.00 0.00 N ATOM 0 H ARG A 81 66.765 -11.675 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 81 66.275 -9.587 -11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.533 -9.174 -8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.119 -8.150 -9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.710 -10.057 -10.393 1.00 0.00 H new ATOM 0 HG3 ARG A 81 64.043 -10.967 -8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.175 -9.913 -8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.202 -8.503 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 81 62.230 -7.553 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.943 -11.001 -9.950 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.502 -11.010 -10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 81 60.169 -7.528 -10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.506 -9.058 -11.538 1.00 0.00 H new ATOM 1276 N SER A 82 68.411 -8.579 -10.285 1.00 0.00 N ATOM 1277 CA SER A 82 69.755 -8.093 -9.861 1.00 0.00 C ATOM 1278 C SER A 82 69.612 -7.004 -8.795 1.00 0.00 C ATOM 1279 O SER A 82 68.899 -6.037 -8.973 1.00 0.00 O ATOM 1280 CB SER A 82 70.392 -7.521 -11.125 1.00 0.00 C ATOM 1281 OG SER A 82 69.700 -8.014 -12.266 1.00 0.00 O ATOM 0 H SER A 82 68.096 -8.250 -11.197 1.00 0.00 H new ATOM 0 HA SER A 82 70.360 -8.889 -9.426 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.353 -6.432 -11.105 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.444 -7.801 -11.174 1.00 0.00 H new ATOM 0 HG SER A 82 70.106 -7.647 -13.079 1.00 0.00 H new ATOM 1287 N VAL A 83 70.289 -7.152 -7.690 1.00 0.00 N ATOM 1288 CA VAL A 83 70.196 -6.122 -6.616 1.00 0.00 C ATOM 1289 C VAL A 83 70.798 -4.802 -7.101 1.00 0.00 C ATOM 1290 O VAL A 83 71.966 -4.724 -7.427 1.00 0.00 O ATOM 1291 CB VAL A 83 71.006 -6.686 -5.450 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.110 -5.634 -4.344 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.308 -7.933 -4.904 1.00 0.00 C ATOM 0 H VAL A 83 70.902 -7.941 -7.484 1.00 0.00 H new ATOM 0 HA VAL A 83 69.165 -5.916 -6.329 1.00 0.00 H new ATOM 0 HB VAL A 83 72.006 -6.949 -5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.688 -6.037 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.605 -4.745 -4.733 1.00 0.00 H new ATOM 0 HG13 VAL A 83 70.111 -5.370 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.884 -8.337 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 83 69.308 -7.669 -4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 70.233 -8.683 -5.692 1.00 0.00 H new ATOM 1303 N SER A 84 70.011 -3.764 -7.154 1.00 0.00 N ATOM 1304 CA SER A 84 70.541 -2.453 -7.621 1.00 0.00 C ATOM 1305 C SER A 84 71.405 -1.813 -6.533 1.00 0.00 C ATOM 1306 O SER A 84 71.108 -1.903 -5.358 1.00 0.00 O ATOM 1307 CB SER A 84 69.304 -1.601 -7.895 1.00 0.00 C ATOM 1308 OG SER A 84 68.683 -2.046 -9.093 1.00 0.00 O ATOM 0 H SER A 84 69.025 -3.767 -6.894 1.00 0.00 H new ATOM 0 HA SER A 84 71.170 -2.554 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.606 -1.674 -7.061 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.584 -0.551 -7.985 1.00 0.00 H new ATOM 0 HG SER A 84 67.861 -1.534 -9.245 1.00 0.00 H new ATOM 1314 N LEU A 85 72.471 -1.167 -6.915 1.00 0.00 N ATOM 1315 CA LEU A 85 73.354 -0.521 -5.904 1.00 0.00 C ATOM 1316 C LEU A 85 73.156 0.997 -5.926 1.00 0.00 C ATOM 1317 O LEU A 85 73.423 1.653 -6.913 1.00 0.00 O ATOM 1318 CB LEU A 85 74.777 -0.882 -6.331 1.00 0.00 C ATOM 1319 CG LEU A 85 75.112 -2.296 -5.854 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.213 -2.309 -4.328 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.009 -3.259 -6.300 1.00 0.00 C ATOM 0 H LEU A 85 72.769 -1.058 -7.884 1.00 0.00 H new ATOM 0 HA LEU A 85 73.136 -0.857 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.868 -0.822 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.486 -0.168 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 85 76.064 -2.609 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.452 -3.317 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.998 -1.623 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 85 74.261 -1.997 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.247 -4.267 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 85 73.057 -2.946 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.936 -3.250 -7.388 1.00 0.00 H new ATOM 1333 N TYR A 86 72.692 1.559 -4.844 1.00 0.00 N ATOM 1334 CA TYR A 86 72.480 3.034 -4.806 1.00 0.00 C ATOM 1335 C TYR A 86 73.452 3.675 -3.819 1.00 0.00 C ATOM 1336 O TYR A 86 73.208 3.718 -2.630 1.00 0.00 O ATOM 1337 CB TYR A 86 71.047 3.223 -4.325 1.00 0.00 C ATOM 1338 CG TYR A 86 70.109 3.226 -5.507 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.961 2.073 -6.287 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.386 4.382 -5.822 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.089 2.077 -7.382 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.514 4.386 -6.917 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.366 3.233 -7.697 1.00 0.00 C ATOM 1344 OH TYR A 86 67.506 3.236 -8.777 1.00 0.00 O ATOM 0 H TYR A 86 72.451 1.062 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 86 72.648 3.496 -5.779 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.776 2.423 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.958 4.160 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.519 1.181 -6.044 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.501 5.271 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.974 1.188 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.956 5.278 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 86 67.082 4.116 -8.855 1.00 0.00 H new ATOM 1354 N TYR A 87 74.549 4.170 -4.302 1.00 0.00 N ATOM 1355 CA TYR A 87 75.540 4.807 -3.401 1.00 0.00 C ATOM 1356 C TYR A 87 74.863 5.863 -2.528 1.00 0.00 C ATOM 1357 O TYR A 87 73.655 5.992 -2.508 1.00 0.00 O ATOM 1358 CB TYR A 87 76.554 5.462 -4.335 1.00 0.00 C ATOM 1359 CG TYR A 87 77.952 5.243 -3.808 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.486 3.950 -3.760 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.715 6.333 -3.373 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.784 3.747 -3.276 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.014 6.130 -2.890 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.548 4.836 -2.842 1.00 0.00 C ATOM 1365 OH TYR A 87 81.828 4.635 -2.367 1.00 0.00 O ATOM 0 H TYR A 87 74.805 4.161 -5.289 1.00 0.00 H new ATOM 0 HA TYR A 87 76.005 4.088 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.463 5.042 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.350 6.530 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.897 3.109 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.302 7.330 -3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.196 2.749 -3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.603 6.971 -2.555 1.00 0.00 H new ATOM 0 HH TYR A 87 81.954 5.146 -1.540 1.00 0.00 H new ATOM 1375 N THR A 88 75.636 6.623 -1.813 1.00 0.00 N ATOM 1376 CA THR A 88 75.046 7.679 -0.940 1.00 0.00 C ATOM 1377 C THR A 88 76.149 8.548 -0.331 1.00 0.00 C ATOM 1378 O THR A 88 76.045 9.004 0.790 1.00 0.00 O ATOM 1379 CB THR A 88 74.298 6.917 0.155 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.803 5.592 0.236 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.805 6.878 -0.176 1.00 0.00 C ATOM 0 H THR A 88 76.654 6.562 -1.792 1.00 0.00 H new ATOM 0 HA THR A 88 74.388 8.348 -1.494 1.00 0.00 H new ATOM 0 HB THR A 88 74.442 7.420 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.773 5.619 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.273 6.335 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.419 7.896 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.657 6.376 -1.132 1.00 0.00 H new ATOM 1389 N GLY A 89 77.203 8.783 -1.062 1.00 0.00 N ATOM 1390 CA GLY A 89 78.311 9.623 -0.524 1.00 0.00 C ATOM 1391 C GLY A 89 78.382 10.945 -1.273 1.00 0.00 C ATOM 1392 O GLY A 89 79.177 11.812 -0.969 1.00 0.00 O ATOM 0 H GLY A 89 77.346 8.430 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 89 78.154 9.807 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 89 79.258 9.092 -0.619 1.00 0.00 H new ATOM 1396 N GLU A 90 77.554 11.093 -2.245 1.00 0.00 N ATOM 1397 CA GLU A 90 77.539 12.352 -3.045 1.00 0.00 C ATOM 1398 C GLU A 90 76.453 12.285 -4.122 1.00 0.00 C ATOM 1399 O GLU A 90 76.574 12.877 -5.177 1.00 0.00 O ATOM 1400 CB GLU A 90 78.925 12.430 -3.687 1.00 0.00 C ATOM 1401 CG GLU A 90 79.130 11.226 -4.609 1.00 0.00 C ATOM 1402 CD GLU A 90 80.508 11.314 -5.266 1.00 0.00 C ATOM 1403 OE1 GLU A 90 81.411 11.839 -4.636 1.00 0.00 O ATOM 1404 OE2 GLU A 90 80.638 10.854 -6.389 1.00 0.00 O ATOM 0 H GLU A 90 76.871 10.392 -2.534 1.00 0.00 H new ATOM 0 HA GLU A 90 77.323 13.227 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 90 79.023 13.356 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 90 79.694 12.445 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 90 79.045 10.300 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 90 78.352 11.203 -5.372 1.00 0.00 H new ATOM 1411 N LYS A 91 75.392 11.570 -3.867 1.00 0.00 N ATOM 1412 CA LYS A 91 74.301 11.468 -4.878 1.00 0.00 C ATOM 1413 C LYS A 91 72.938 11.660 -4.208 1.00 0.00 C ATOM 1414 O LYS A 91 72.239 12.620 -4.463 1.00 0.00 O ATOM 1415 CB LYS A 91 74.424 10.056 -5.449 1.00 0.00 C ATOM 1416 CG LYS A 91 73.884 10.034 -6.880 1.00 0.00 C ATOM 1417 CD LYS A 91 73.653 8.586 -7.317 1.00 0.00 C ATOM 1418 CE LYS A 91 72.334 8.488 -8.087 1.00 0.00 C ATOM 1419 NZ LYS A 91 72.717 8.614 -9.521 1.00 0.00 N ATOM 0 H LYS A 91 75.233 11.052 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 91 74.383 12.230 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 91 75.466 9.738 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 91 73.869 9.352 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 91 72.951 10.595 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 91 74.590 10.520 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 91 74.478 8.248 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.627 7.932 -6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.833 7.539 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 91 71.644 9.279 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 71.865 8.556 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 73.186 9.529 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.369 7.844 -9.775 1.00 0.00 H new ATOM 1433 N GLY A 92 72.554 10.752 -3.352 1.00 0.00 N ATOM 1434 CA GLY A 92 71.238 10.883 -2.667 1.00 0.00 C ATOM 1435 C GLY A 92 71.069 12.312 -2.148 1.00 0.00 C ATOM 1436 O GLY A 92 71.983 13.111 -2.194 1.00 0.00 O ATOM 0 H GLY A 92 73.095 9.926 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 92 70.431 10.639 -3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 92 71.175 10.175 -1.840 1.00 0.00 H new ATOM 1440 N GLY A 93 69.906 12.641 -1.656 1.00 0.00 N ATOM 1441 CA GLY A 93 69.681 14.018 -1.135 1.00 0.00 C ATOM 1442 C GLY A 93 68.319 14.086 -0.442 1.00 0.00 C ATOM 1443 O GLY A 93 67.285 13.982 -1.072 1.00 0.00 O ATOM 0 H GLY A 93 69.103 12.016 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 93 70.471 14.286 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 93 69.721 14.738 -1.952 1.00 0.00 H new ATOM 1447 N THR A 94 68.309 14.261 0.851 1.00 0.00 N ATOM 1448 CA THR A 94 67.012 14.335 1.584 1.00 0.00 C ATOM 1449 C THR A 94 67.148 15.242 2.810 1.00 0.00 C ATOM 1450 O THR A 94 67.420 14.786 3.902 1.00 0.00 O ATOM 1451 CB THR A 94 66.714 12.897 2.011 1.00 0.00 C ATOM 1452 OG1 THR A 94 66.708 12.056 0.865 1.00 0.00 O ATOM 1453 CG2 THR A 94 65.349 12.838 2.697 1.00 0.00 C ATOM 0 H THR A 94 69.142 14.356 1.432 1.00 0.00 H new ATOM 0 HA THR A 94 66.214 14.750 0.969 1.00 0.00 H new ATOM 0 HB THR A 94 67.481 12.558 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 94 66.519 11.134 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 94 65.138 11.813 3.001 1.00 0.00 H new ATOM 0 HG22 THR A 94 65.355 13.483 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 94 64.579 13.177 2.004 1.00 0.00 H new ATOM 1461 N ARG A 95 66.966 16.524 2.632 1.00 0.00 N ATOM 1462 CA ARG A 95 67.086 17.468 3.777 1.00 0.00 C ATOM 1463 C ARG A 95 66.464 16.864 5.040 1.00 0.00 C ATOM 1464 O ARG A 95 65.261 16.734 5.148 1.00 0.00 O ATOM 1465 CB ARG A 95 66.315 18.715 3.344 1.00 0.00 C ATOM 1466 CG ARG A 95 64.931 18.309 2.834 1.00 0.00 C ATOM 1467 CD ARG A 95 64.270 19.504 2.144 1.00 0.00 C ATOM 1468 NE ARG A 95 62.836 19.125 2.010 1.00 0.00 N ATOM 1469 CZ ARG A 95 61.957 19.585 2.857 1.00 0.00 C ATOM 1470 NH1 ARG A 95 61.889 20.866 3.097 1.00 0.00 N ATOM 1471 NH2 ARG A 95 61.145 18.764 3.466 1.00 0.00 N ATOM 0 H ARG A 95 66.738 16.958 1.737 1.00 0.00 H new ATOM 0 HA ARG A 95 68.126 17.691 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 95 66.217 19.404 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 95 66.863 19.241 2.562 1.00 0.00 H new ATOM 0 HG2 ARG A 95 65.019 17.476 2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 95 64.312 17.967 3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 95 64.385 20.414 2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 95 64.720 19.697 1.170 1.00 0.00 H new ATOM 0 HE ARG A 95 62.541 18.505 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 95 62.523 21.508 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 95 61.201 21.225 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 95 61.198 17.763 3.280 1.00 0.00 H new ATOM 0 HH22 ARG A 95 60.458 19.124 4.128 1.00 0.00 H new ATOM 1485 N GLY A 96 67.274 16.495 5.994 1.00 0.00 N ATOM 1486 CA GLY A 96 66.728 15.901 7.247 1.00 0.00 C ATOM 1487 C GLY A 96 67.616 16.294 8.429 1.00 0.00 C ATOM 1488 O GLY A 96 67.497 17.418 8.886 1.00 0.00 O ATOM 1489 OXT GLY A 96 68.401 15.463 8.856 1.00 0.00 O ATOM 0 H GLY A 96 68.290 16.579 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 96 65.709 16.250 7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 96 66.683 14.816 7.158 1.00 0.00 H new TER 1493 GLY A 96