USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 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 64 HIS : no HD1:sc= -1.25 K(o=-2.7,f=-4.9) USER MOD Set 1.2: A 90 MET CE :methyl 141:sc= -1.44 (180deg=-2.36!) USER MOD Single : A 1 ILE N :NH3+ -154:sc= -0.0116 (180deg=-0.214) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 95:sc= 1.11 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 34 SER OG : rot -149:sc= 0.032 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.4 K(o=-0.4,f=-4.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.18) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.25) USER MOD Single : A 81 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.036) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -172:sc= -0.977 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 43:sc= 0.0566 USER MOD Single : A 93 ASN : amide:sc= -4.06 K(o=-4.1,f=-5.2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -12.840 13.612 13.118 1.00 0.00 N ATOM 2 CA ILE A 1 -12.155 12.367 13.423 1.00 0.00 C ATOM 3 C ILE A 1 -10.678 12.496 13.045 1.00 0.00 C ATOM 4 O ILE A 1 -9.802 12.352 13.896 1.00 0.00 O ATOM 5 CB ILE A 1 -12.862 11.189 12.749 1.00 0.00 C ATOM 6 CG1 ILE A 1 -14.266 10.989 13.324 1.00 0.00 C ATOM 7 CG2 ILE A 1 -12.018 9.916 12.845 1.00 0.00 C ATOM 8 CD1 ILE A 1 -15.328 11.102 12.228 1.00 0.00 C ATOM 0 H1 ILE A 1 -13.671 13.711 13.735 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.194 14.411 13.276 1.00 0.00 H new ATOM 0 H3 ILE A 1 -13.146 13.605 12.124 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.193 12.163 14.493 1.00 0.00 H new ATOM 0 HB ILE A 1 -12.978 11.421 11.690 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -14.332 10.011 13.800 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -14.456 11.733 14.097 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -12.543 9.094 12.358 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -11.059 10.077 12.352 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.850 9.669 13.893 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -16.317 10.956 12.663 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.275 12.090 11.771 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -15.150 10.341 11.469 1.00 0.00 H new ATOM 20 N SER A 2 -10.449 12.766 11.768 1.00 0.00 N ATOM 21 CA SER A 2 -9.093 12.916 11.268 1.00 0.00 C ATOM 22 C SER A 2 -8.752 14.400 11.119 1.00 0.00 C ATOM 23 O SER A 2 -9.540 15.170 10.572 1.00 0.00 O ATOM 24 CB SER A 2 -8.917 12.194 9.930 1.00 0.00 C ATOM 25 OG SER A 2 -8.016 11.095 10.032 1.00 0.00 O ATOM 0 H SER A 2 -11.179 12.885 11.065 1.00 0.00 H new ATOM 0 HA SER A 2 -8.411 12.463 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.886 11.837 9.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.548 12.898 9.184 1.00 0.00 H new ATOM 0 HG SER A 2 -7.932 10.659 9.158 1.00 0.00 H new ATOM 31 N GLU A 3 -7.576 14.757 11.615 1.00 0.00 N ATOM 32 CA GLU A 3 -7.120 16.135 11.544 1.00 0.00 C ATOM 33 C GLU A 3 -5.685 16.193 11.016 1.00 0.00 C ATOM 34 O GLU A 3 -5.418 16.836 10.002 1.00 0.00 O ATOM 35 CB GLU A 3 -7.232 16.820 12.907 1.00 0.00 C ATOM 36 CG GLU A 3 -7.279 18.342 12.754 1.00 0.00 C ATOM 37 CD GLU A 3 -8.206 18.969 13.797 1.00 0.00 C ATOM 38 OE1 GLU A 3 -9.419 18.675 13.728 1.00 0.00 O ATOM 39 OE2 GLU A 3 -7.681 19.730 14.638 1.00 0.00 O ATOM 0 H GLU A 3 -6.925 14.115 12.068 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.763 16.675 10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.130 16.475 13.419 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.382 16.540 13.530 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.275 18.753 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.625 18.600 11.753 1.00 0.00 H new ATOM 46 N PHE A 4 -4.799 15.513 11.728 1.00 0.00 N ATOM 47 CA PHE A 4 -3.398 15.479 11.345 1.00 0.00 C ATOM 48 C PHE A 4 -2.838 14.058 11.439 1.00 0.00 C ATOM 49 O PHE A 4 -2.335 13.653 12.486 1.00 0.00 O ATOM 50 CB PHE A 4 -2.644 16.378 12.327 1.00 0.00 C ATOM 51 CG PHE A 4 -1.190 16.648 11.932 1.00 0.00 C ATOM 52 CD1 PHE A 4 -0.900 17.628 11.035 1.00 0.00 C ATOM 53 CD2 PHE A 4 -0.189 15.908 12.479 1.00 0.00 C ATOM 54 CE1 PHE A 4 0.449 17.878 10.669 1.00 0.00 C ATOM 55 CE2 PHE A 4 1.160 16.158 12.113 1.00 0.00 C ATOM 56 CZ PHE A 4 1.451 17.138 11.216 1.00 0.00 C ATOM 0 H PHE A 4 -5.024 14.981 12.569 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.286 15.817 10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.170 17.329 12.410 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.662 15.916 13.314 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.695 18.216 10.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.420 15.130 13.192 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.680 18.656 9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.955 15.570 12.547 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.477 17.329 10.938 1.00 0.00 H new ATOM 66 N ALA A 5 -2.944 13.340 10.331 1.00 0.00 N ATOM 67 CA ALA A 5 -2.454 11.973 10.275 1.00 0.00 C ATOM 68 C ALA A 5 -1.808 11.723 8.911 1.00 0.00 C ATOM 69 O ALA A 5 -2.178 12.350 7.920 1.00 0.00 O ATOM 70 CB ALA A 5 -3.605 11.006 10.562 1.00 0.00 C ATOM 0 H ALA A 5 -3.362 13.679 9.465 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.691 11.807 11.036 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.238 9.981 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.010 11.206 11.554 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.389 11.142 9.816 1.00 0.00 H new ATOM 76 N PRO A 6 -0.828 10.780 8.904 1.00 0.00 N ATOM 77 CA PRO A 6 -0.127 10.439 7.677 1.00 0.00 C ATOM 78 C PRO A 6 -1.006 9.582 6.764 1.00 0.00 C ATOM 79 O PRO A 6 -1.691 8.673 7.230 1.00 0.00 O ATOM 80 CB PRO A 6 1.134 9.721 8.132 1.00 0.00 C ATOM 81 CG PRO A 6 0.869 9.278 9.561 1.00 0.00 C ATOM 82 CD PRO A 6 -0.363 10.016 10.058 1.00 0.00 C ATOM 0 HA PRO A 6 0.123 11.314 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.349 8.866 7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.999 10.382 8.082 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.711 8.200 9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.728 9.499 10.195 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.127 9.321 10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.121 10.671 10.895 1.00 0.00 H new ATOM 90 N VAL A 7 -0.957 9.902 5.479 1.00 0.00 N ATOM 91 CA VAL A 7 -1.740 9.173 4.496 1.00 0.00 C ATOM 92 C VAL A 7 -0.881 8.062 3.888 1.00 0.00 C ATOM 93 O VAL A 7 -0.193 8.279 2.892 1.00 0.00 O ATOM 94 CB VAL A 7 -2.295 10.140 3.448 1.00 0.00 C ATOM 95 CG1 VAL A 7 -3.207 9.412 2.459 1.00 0.00 C ATOM 96 CG2 VAL A 7 -3.028 11.307 4.113 1.00 0.00 C ATOM 0 H VAL A 7 -0.387 10.656 5.096 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.600 8.698 4.969 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.453 10.548 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.588 10.122 1.725 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.642 8.632 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.042 8.963 2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.413 11.979 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.857 10.924 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.338 11.850 4.758 1.00 0.00 H new ATOM 106 N ASP A 8 -0.949 6.896 4.514 1.00 0.00 N ATOM 107 CA ASP A 8 -0.187 5.751 4.048 1.00 0.00 C ATOM 108 C ASP A 8 -1.071 4.888 3.146 1.00 0.00 C ATOM 109 O ASP A 8 -0.802 3.702 2.957 1.00 0.00 O ATOM 110 CB ASP A 8 0.280 4.885 5.220 1.00 0.00 C ATOM 111 CG ASP A 8 1.647 5.260 5.797 1.00 0.00 C ATOM 112 OD1 ASP A 8 2.601 5.333 4.993 1.00 0.00 O ATOM 113 OD2 ASP A 8 1.706 5.466 7.028 1.00 0.00 O ATOM 0 H ASP A 8 -1.521 6.720 5.340 1.00 0.00 H new ATOM 0 HA ASP A 8 0.682 6.123 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.463 4.946 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.313 3.846 4.894 1.00 0.00 H new ATOM 118 N CYS A 9 -2.109 5.516 2.612 1.00 0.00 N ATOM 119 CA CYS A 9 -3.034 4.820 1.735 1.00 0.00 C ATOM 120 C CYS A 9 -3.693 3.690 2.529 1.00 0.00 C ATOM 121 O CYS A 9 -3.524 2.517 2.202 1.00 0.00 O ATOM 122 CB CYS A 9 -2.338 4.301 0.475 1.00 0.00 C ATOM 123 SG CYS A 9 -3.366 4.333 -1.039 1.00 0.00 S ATOM 0 H CYS A 9 -2.329 6.499 2.770 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.800 5.513 1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.442 4.896 0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.011 3.277 0.653 1.00 0.00 H new ATOM 128 N LYS A 10 -4.429 4.084 3.558 1.00 0.00 N ATOM 129 CA LYS A 10 -5.113 3.119 4.402 1.00 0.00 C ATOM 130 C LYS A 10 -6.504 2.842 3.827 1.00 0.00 C ATOM 131 O LYS A 10 -6.688 1.889 3.072 1.00 0.00 O ATOM 132 CB LYS A 10 -5.132 3.597 5.855 1.00 0.00 C ATOM 133 CG LYS A 10 -4.169 2.776 6.715 1.00 0.00 C ATOM 134 CD LYS A 10 -4.205 3.239 8.173 1.00 0.00 C ATOM 135 CE LYS A 10 -4.954 2.234 9.050 1.00 0.00 C ATOM 136 NZ LYS A 10 -5.052 2.731 10.440 1.00 0.00 N ATOM 0 H LYS A 10 -4.567 5.058 3.826 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.576 2.171 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.856 4.651 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.143 3.515 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.435 1.720 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.156 2.871 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.188 3.363 8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.689 4.214 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.952 2.064 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.437 1.274 9.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.563 2.037 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.097 2.871 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.565 3.636 10.450 1.00 0.00 H new ATOM 150 N GLY A 11 -7.446 3.692 4.207 1.00 0.00 N ATOM 151 CA GLY A 11 -8.815 3.550 3.739 1.00 0.00 C ATOM 152 C GLY A 11 -8.899 3.746 2.224 1.00 0.00 C ATOM 153 O GLY A 11 -9.932 3.469 1.616 1.00 0.00 O ATOM 0 H GLY A 11 -7.289 4.481 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.193 2.562 4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.452 4.279 4.240 1.00 0.00 H new ATOM 157 N GLN A 12 -7.799 4.222 1.659 1.00 0.00 N ATOM 158 CA GLN A 12 -7.736 4.458 0.227 1.00 0.00 C ATOM 159 C GLN A 12 -7.252 3.201 -0.498 1.00 0.00 C ATOM 160 O GLN A 12 -7.344 3.110 -1.721 1.00 0.00 O ATOM 161 CB GLN A 12 -6.838 5.655 -0.092 1.00 0.00 C ATOM 162 CG GLN A 12 -7.617 6.968 0.010 1.00 0.00 C ATOM 163 CD GLN A 12 -8.027 7.472 -1.375 1.00 0.00 C ATOM 164 OE1 GLN A 12 -9.003 7.032 -1.960 1.00 0.00 O ATOM 165 NE2 GLN A 12 -7.229 8.416 -1.865 1.00 0.00 N ATOM 0 H GLN A 12 -6.945 4.450 2.167 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.740 4.694 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.994 5.675 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.427 5.549 -1.096 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.505 6.821 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.005 7.720 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.428 8.739 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.418 8.817 -2.784 1.00 0.00 H new ATOM 174 N CYS A 13 -6.745 2.262 0.288 1.00 0.00 N ATOM 175 CA CYS A 13 -6.246 1.013 -0.263 1.00 0.00 C ATOM 176 C CYS A 13 -7.152 -0.121 0.219 1.00 0.00 C ATOM 177 O CYS A 13 -6.732 -0.961 1.014 1.00 0.00 O ATOM 178 CB CYS A 13 -4.782 0.774 0.112 1.00 0.00 C ATOM 179 SG CYS A 13 -3.579 1.818 -0.788 1.00 0.00 S ATOM 0 H CYS A 13 -6.669 2.341 1.302 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.271 1.057 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.663 0.947 1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.541 -0.273 -0.071 1.00 0.00 H new ATOM 184 N THR A 14 -8.379 -0.110 -0.281 1.00 0.00 N ATOM 185 CA THR A 14 -9.348 -1.127 0.089 1.00 0.00 C ATOM 186 C THR A 14 -9.728 -1.970 -1.130 1.00 0.00 C ATOM 187 O THR A 14 -9.819 -3.194 -1.039 1.00 0.00 O ATOM 188 CB THR A 14 -10.542 -0.428 0.741 1.00 0.00 C ATOM 189 OG1 THR A 14 -10.089 -0.119 2.056 1.00 0.00 O ATOM 190 CG2 THR A 14 -11.723 -1.374 0.966 1.00 0.00 C ATOM 0 H THR A 14 -8.724 0.588 -0.940 1.00 0.00 H new ATOM 0 HA THR A 14 -8.930 -1.828 0.812 1.00 0.00 H new ATOM 0 HB THR A 14 -10.859 0.406 0.115 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.802 0.338 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.543 -0.827 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.053 -1.778 0.009 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.415 -2.191 1.619 1.00 0.00 H new ATOM 198 N THR A 15 -9.939 -1.283 -2.242 1.00 0.00 N ATOM 199 CA THR A 15 -10.307 -1.953 -3.478 1.00 0.00 C ATOM 200 C THR A 15 -9.087 -2.640 -4.096 1.00 0.00 C ATOM 201 O THR A 15 -9.164 -3.796 -4.508 1.00 0.00 O ATOM 202 CB THR A 15 -10.955 -0.920 -4.401 1.00 0.00 C ATOM 203 OG1 THR A 15 -12.352 -1.176 -4.282 1.00 0.00 O ATOM 204 CG2 THR A 15 -10.652 -1.182 -5.878 1.00 0.00 C ATOM 0 H THR A 15 -9.862 -0.268 -2.314 1.00 0.00 H new ATOM 0 HA THR A 15 -11.031 -2.747 -3.297 1.00 0.00 H new ATOM 0 HB THR A 15 -10.607 0.077 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.849 -0.549 -4.848 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.136 -0.420 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.575 -1.147 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.030 -2.165 -6.158 1.00 0.00 H new ATOM 212 N PRO A 16 -7.961 -1.879 -4.142 1.00 0.00 N ATOM 213 CA PRO A 16 -6.727 -2.402 -4.702 1.00 0.00 C ATOM 214 C PRO A 16 -6.063 -3.389 -3.740 1.00 0.00 C ATOM 215 O PRO A 16 -5.136 -4.103 -4.120 1.00 0.00 O ATOM 216 CB PRO A 16 -5.871 -1.177 -4.981 1.00 0.00 C ATOM 217 CG PRO A 16 -6.463 -0.056 -4.142 1.00 0.00 C ATOM 218 CD PRO A 16 -7.833 -0.506 -3.662 1.00 0.00 C ATOM 0 HA PRO A 16 -6.889 -2.974 -5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.830 -1.358 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.887 -0.922 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.816 0.168 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.546 0.858 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.908 -0.458 -2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.622 0.129 -4.064 1.00 0.00 H new ATOM 226 N CYS A 17 -6.562 -3.397 -2.513 1.00 0.00 N ATOM 227 CA CYS A 17 -6.029 -4.285 -1.494 1.00 0.00 C ATOM 228 C CYS A 17 -7.179 -5.130 -0.943 1.00 0.00 C ATOM 229 O CYS A 17 -7.076 -5.689 0.148 1.00 0.00 O ATOM 230 CB CYS A 17 -5.310 -3.509 -0.388 1.00 0.00 C ATOM 231 SG CYS A 17 -3.813 -2.608 -0.931 1.00 0.00 S ATOM 0 H CYS A 17 -7.330 -2.803 -2.201 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.278 -4.940 -1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.008 -2.795 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.031 -4.206 0.403 1.00 0.00 H new ATOM 236 N GLU A 18 -8.249 -5.196 -1.722 1.00 0.00 N ATOM 237 CA GLU A 18 -9.417 -5.963 -1.326 1.00 0.00 C ATOM 238 C GLU A 18 -9.109 -7.461 -1.371 1.00 0.00 C ATOM 239 O GLU A 18 -9.269 -8.162 -0.372 1.00 0.00 O ATOM 240 CB GLU A 18 -10.621 -5.624 -2.208 1.00 0.00 C ATOM 241 CG GLU A 18 -11.777 -5.076 -1.370 1.00 0.00 C ATOM 242 CD GLU A 18 -12.855 -6.141 -1.159 1.00 0.00 C ATOM 243 OE1 GLU A 18 -13.536 -6.465 -2.157 1.00 0.00 O ATOM 244 OE2 GLU A 18 -12.974 -6.608 -0.006 1.00 0.00 O ATOM 0 H GLU A 18 -8.331 -4.730 -2.626 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.672 -5.695 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.331 -4.889 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.946 -6.516 -2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.402 -4.737 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.211 -4.208 -1.866 1.00 0.00 H new ATOM 251 N PRO A 19 -8.660 -7.920 -2.570 1.00 0.00 N ATOM 252 CA PRO A 19 -8.328 -9.322 -2.758 1.00 0.00 C ATOM 253 C PRO A 19 -6.995 -9.664 -2.090 1.00 0.00 C ATOM 254 O PRO A 19 -6.736 -10.823 -1.771 1.00 0.00 O ATOM 255 CB PRO A 19 -8.306 -9.522 -4.264 1.00 0.00 C ATOM 256 CG PRO A 19 -8.167 -8.134 -4.868 1.00 0.00 C ATOM 257 CD PRO A 19 -8.459 -7.119 -3.774 1.00 0.00 C ATOM 0 HA PRO A 19 -9.050 -9.992 -2.291 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.475 -10.162 -4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.220 -10.007 -4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.162 -7.989 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.860 -8.009 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.632 -6.420 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.344 -6.527 -4.008 1.00 0.00 H new ATOM 265 N LEU A 20 -6.185 -8.633 -1.896 1.00 0.00 N ATOM 266 CA LEU A 20 -4.885 -8.810 -1.272 1.00 0.00 C ATOM 267 C LEU A 20 -5.071 -9.017 0.233 1.00 0.00 C ATOM 268 O LEU A 20 -4.429 -9.880 0.828 1.00 0.00 O ATOM 269 CB LEU A 20 -3.959 -7.644 -1.622 1.00 0.00 C ATOM 270 CG LEU A 20 -2.750 -7.448 -0.705 1.00 0.00 C ATOM 271 CD1 LEU A 20 -3.082 -6.492 0.442 1.00 0.00 C ATOM 272 CD2 LEU A 20 -2.224 -8.792 -0.197 1.00 0.00 C ATOM 0 H LEU A 20 -6.404 -7.672 -2.160 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.395 -9.703 -1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.598 -7.786 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.546 -6.726 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.951 -6.988 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.206 -6.370 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.373 -5.523 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.904 -6.901 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.365 -8.624 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.008 -9.302 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.924 -9.409 -1.044 1.00 0.00 H new ATOM 284 N THR A 21 -5.952 -8.209 0.804 1.00 0.00 N ATOM 285 CA THR A 21 -6.231 -8.293 2.228 1.00 0.00 C ATOM 286 C THR A 21 -6.869 -9.641 2.568 1.00 0.00 C ATOM 287 O THR A 21 -6.512 -10.266 3.565 1.00 0.00 O ATOM 288 CB THR A 21 -7.102 -7.094 2.610 1.00 0.00 C ATOM 289 OG1 THR A 21 -6.197 -5.993 2.610 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.599 -7.169 4.055 1.00 0.00 C ATOM 0 H THR A 21 -6.482 -7.493 0.307 1.00 0.00 H new ATOM 0 HA THR A 21 -5.313 -8.247 2.815 1.00 0.00 H new ATOM 0 HB THR A 21 -7.956 -7.036 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.226 -5.545 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.212 -6.295 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.194 -8.072 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.745 -7.193 4.733 1.00 0.00 H new ATOM 298 N ALA A 22 -7.802 -10.049 1.720 1.00 0.00 N ATOM 299 CA ALA A 22 -8.494 -11.311 1.919 1.00 0.00 C ATOM 300 C ALA A 22 -7.465 -12.439 2.026 1.00 0.00 C ATOM 301 O ALA A 22 -7.638 -13.368 2.813 1.00 0.00 O ATOM 302 CB ALA A 22 -9.487 -11.534 0.777 1.00 0.00 C ATOM 0 H ALA A 22 -8.095 -9.528 0.894 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.064 -11.295 2.848 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.006 -12.481 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.213 -10.721 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.951 -11.560 -0.172 1.00 0.00 H new ATOM 308 N CYS A 23 -6.419 -12.321 1.222 1.00 0.00 N ATOM 309 CA CYS A 23 -5.363 -13.319 1.217 1.00 0.00 C ATOM 310 C CYS A 23 -4.789 -13.419 2.632 1.00 0.00 C ATOM 311 O CYS A 23 -4.970 -14.429 3.310 1.00 0.00 O ATOM 312 CB CYS A 23 -4.282 -12.994 0.184 1.00 0.00 C ATOM 313 SG CYS A 23 -2.617 -13.637 0.587 1.00 0.00 S ATOM 0 H CYS A 23 -6.280 -11.550 0.569 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.774 -14.285 0.924 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.588 -13.398 -0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.221 -11.912 0.071 1.00 0.00 H new ATOM 318 N LYS A 24 -4.107 -12.356 3.035 1.00 0.00 N ATOM 319 CA LYS A 24 -3.505 -12.311 4.357 1.00 0.00 C ATOM 320 C LYS A 24 -4.485 -12.891 5.379 1.00 0.00 C ATOM 321 O LYS A 24 -4.119 -13.757 6.173 1.00 0.00 O ATOM 322 CB LYS A 24 -3.042 -10.891 4.686 1.00 0.00 C ATOM 323 CG LYS A 24 -1.644 -10.625 4.122 1.00 0.00 C ATOM 324 CD LYS A 24 -1.470 -9.149 3.761 1.00 0.00 C ATOM 325 CE LYS A 24 -0.941 -8.351 4.955 1.00 0.00 C ATOM 326 NZ LYS A 24 0.271 -7.592 4.574 1.00 0.00 N ATOM 0 H LYS A 24 -3.958 -11.520 2.470 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.608 -12.929 4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.748 -10.170 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.035 -10.748 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.891 -10.915 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.482 -11.241 3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.781 -9.055 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.425 -8.735 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.710 -7.665 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.710 -9.027 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.617 -7.056 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.008 -8.253 4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.040 -6.933 3.803 1.00 0.00 H new ATOM 340 N GLU A 25 -5.710 -12.391 5.326 1.00 0.00 N ATOM 341 CA GLU A 25 -6.745 -12.848 6.238 1.00 0.00 C ATOM 342 C GLU A 25 -6.854 -14.374 6.194 1.00 0.00 C ATOM 343 O GLU A 25 -6.516 -15.052 7.163 1.00 0.00 O ATOM 344 CB GLU A 25 -8.090 -12.193 5.914 1.00 0.00 C ATOM 345 CG GLU A 25 -8.591 -11.358 7.094 1.00 0.00 C ATOM 346 CD GLU A 25 -9.565 -12.159 7.959 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.432 -12.834 7.361 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.422 -12.080 9.198 1.00 0.00 O ATOM 0 H GLU A 25 -6.010 -11.674 4.666 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.468 -12.551 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.987 -11.559 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.824 -12.961 5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.745 -11.033 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.083 -10.458 6.724 1.00 0.00 H new ATOM 355 N LYS A 26 -7.328 -14.869 5.060 1.00 0.00 N ATOM 356 CA LYS A 26 -7.486 -16.302 4.878 1.00 0.00 C ATOM 357 C LYS A 26 -6.291 -17.026 5.502 1.00 0.00 C ATOM 358 O LYS A 26 -6.451 -18.081 6.115 1.00 0.00 O ATOM 359 CB LYS A 26 -7.702 -16.634 3.400 1.00 0.00 C ATOM 360 CG LYS A 26 -8.586 -17.872 3.240 1.00 0.00 C ATOM 361 CD LYS A 26 -9.740 -17.601 2.273 1.00 0.00 C ATOM 362 CE LYS A 26 -10.245 -18.900 1.643 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.879 -18.959 0.210 1.00 0.00 N ATOM 0 H LYS A 26 -7.608 -14.304 4.258 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.379 -16.655 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.164 -15.785 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.740 -16.805 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.987 -18.706 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.983 -18.168 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.555 -17.109 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.410 -16.917 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.820 -19.755 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.328 -18.966 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.230 -19.847 -0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.305 -18.153 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.844 -18.918 0.114 1.00 0.00 H new ATOM 377 N CYS A 27 -5.121 -16.431 5.325 1.00 0.00 N ATOM 378 CA CYS A 27 -3.900 -17.006 5.863 1.00 0.00 C ATOM 379 C CYS A 27 -3.994 -16.991 7.390 1.00 0.00 C ATOM 380 O CYS A 27 -3.968 -18.043 8.027 1.00 0.00 O ATOM 381 CB CYS A 27 -2.658 -16.267 5.361 1.00 0.00 C ATOM 382 SG CYS A 27 -2.631 -15.946 3.559 1.00 0.00 S ATOM 0 H CYS A 27 -4.992 -15.556 4.816 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.796 -18.034 5.516 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.582 -15.315 5.886 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.775 -16.849 5.625 1.00 0.00 H new ATOM 387 N ALA A 28 -4.102 -15.787 7.933 1.00 0.00 N ATOM 388 CA ALA A 28 -4.200 -15.622 9.373 1.00 0.00 C ATOM 389 C ALA A 28 -5.118 -16.704 9.945 1.00 0.00 C ATOM 390 O ALA A 28 -4.768 -17.368 10.919 1.00 0.00 O ATOM 391 CB ALA A 28 -4.695 -14.209 9.692 1.00 0.00 C ATOM 0 H ALA A 28 -4.124 -14.917 7.401 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.222 -15.739 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.769 -14.085 10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.993 -13.478 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.676 -14.057 9.241 1.00 0.00 H new ATOM 397 N GLU A 29 -6.275 -16.848 9.314 1.00 0.00 N ATOM 398 CA GLU A 29 -7.246 -17.838 9.748 1.00 0.00 C ATOM 399 C GLU A 29 -6.650 -19.244 9.649 1.00 0.00 C ATOM 400 O GLU A 29 -6.798 -20.050 10.566 1.00 0.00 O ATOM 401 CB GLU A 29 -8.538 -17.731 8.936 1.00 0.00 C ATOM 402 CG GLU A 29 -9.412 -16.583 9.445 1.00 0.00 C ATOM 403 CD GLU A 29 -10.019 -16.919 10.809 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.800 -17.893 10.858 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.687 -16.193 11.772 1.00 0.00 O ATOM 0 H GLU A 29 -6.561 -16.295 8.506 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.495 -17.643 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.299 -17.572 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.090 -18.669 8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.816 -15.674 9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.208 -16.382 8.728 1.00 0.00 H new ATOM 412 N SER A 30 -5.990 -19.494 8.528 1.00 0.00 N ATOM 413 CA SER A 30 -5.371 -20.789 8.297 1.00 0.00 C ATOM 414 C SER A 30 -3.919 -20.769 8.779 1.00 0.00 C ATOM 415 O SER A 30 -3.092 -21.542 8.300 1.00 0.00 O ATOM 416 CB SER A 30 -5.434 -21.173 6.818 1.00 0.00 C ATOM 417 OG SER A 30 -6.110 -22.412 6.616 1.00 0.00 O ATOM 0 H SER A 30 -5.870 -18.822 7.770 1.00 0.00 H new ATOM 0 HA SER A 30 -5.924 -21.538 8.863 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.944 -20.387 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.422 -21.243 6.418 1.00 0.00 H new ATOM 0 HG SER A 30 -6.131 -22.621 5.659 1.00 0.00 H new ATOM 423 N CYS A 31 -3.655 -19.876 9.722 1.00 0.00 N ATOM 424 CA CYS A 31 -2.317 -19.745 10.274 1.00 0.00 C ATOM 425 C CYS A 31 -2.425 -19.059 11.637 1.00 0.00 C ATOM 426 O CYS A 31 -1.626 -18.182 11.960 1.00 0.00 O ATOM 427 CB CYS A 31 -1.386 -18.986 9.326 1.00 0.00 C ATOM 428 SG CYS A 31 -0.816 -19.947 7.877 1.00 0.00 S ATOM 0 H CYS A 31 -4.344 -19.237 10.117 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.874 -20.733 10.399 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.901 -18.093 8.972 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.514 -18.650 9.887 1.00 0.00 H new ATOM 433 N GLU A 32 -3.420 -19.486 12.401 1.00 0.00 N ATOM 434 CA GLU A 32 -3.643 -18.925 13.723 1.00 0.00 C ATOM 435 C GLU A 32 -2.797 -19.662 14.762 1.00 0.00 C ATOM 436 O GLU A 32 -1.993 -19.048 15.462 1.00 0.00 O ATOM 437 CB GLU A 32 -5.127 -18.967 14.093 1.00 0.00 C ATOM 438 CG GLU A 32 -5.729 -17.561 14.107 1.00 0.00 C ATOM 439 CD GLU A 32 -7.081 -17.550 14.822 1.00 0.00 C ATOM 440 OE1 GLU A 32 -7.095 -17.923 16.015 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.071 -17.170 14.160 1.00 0.00 O ATOM 0 H GLU A 32 -4.081 -20.214 12.130 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.336 -17.879 13.709 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.666 -19.590 13.379 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.248 -19.428 15.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.045 -16.874 14.605 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.852 -17.204 13.084 1.00 0.00 H new ATOM 448 N THR A 33 -3.007 -20.969 14.831 1.00 0.00 N ATOM 449 CA THR A 33 -2.273 -21.796 15.773 1.00 0.00 C ATOM 450 C THR A 33 -0.791 -21.847 15.397 1.00 0.00 C ATOM 451 O THR A 33 0.066 -22.032 16.260 1.00 0.00 O ATOM 452 CB THR A 33 -2.938 -23.174 15.810 1.00 0.00 C ATOM 453 OG1 THR A 33 -2.950 -23.590 14.447 1.00 0.00 O ATOM 454 CG2 THR A 33 -4.419 -23.099 16.189 1.00 0.00 C ATOM 0 H THR A 33 -3.675 -21.475 14.250 1.00 0.00 H new ATOM 0 HA THR A 33 -2.306 -21.375 16.778 1.00 0.00 H new ATOM 0 HB THR A 33 -2.413 -23.812 16.521 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.363 -24.476 14.379 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.843 -24.103 16.201 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.519 -22.651 17.178 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.951 -22.489 15.459 1.00 0.00 H new ATOM 462 N SER A 34 -0.534 -21.679 14.109 1.00 0.00 N ATOM 463 CA SER A 34 0.830 -21.703 13.608 1.00 0.00 C ATOM 464 C SER A 34 1.717 -20.797 14.463 1.00 0.00 C ATOM 465 O SER A 34 1.542 -19.579 14.470 1.00 0.00 O ATOM 466 CB SER A 34 0.886 -21.271 12.141 1.00 0.00 C ATOM 467 OG SER A 34 0.968 -22.387 11.259 1.00 0.00 O ATOM 0 H SER A 34 -1.247 -21.526 13.396 1.00 0.00 H new ATOM 0 HA SER A 34 1.200 -22.726 13.671 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.001 -20.684 11.902 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.748 -20.623 11.987 1.00 0.00 H new ATOM 0 HG SER A 34 1.473 -22.135 10.458 1.00 0.00 H new ATOM 473 N ALA A 35 2.650 -21.425 15.163 1.00 0.00 N ATOM 474 CA ALA A 35 3.566 -20.690 16.019 1.00 0.00 C ATOM 475 C ALA A 35 4.012 -19.413 15.304 1.00 0.00 C ATOM 476 O ALA A 35 3.778 -18.309 15.794 1.00 0.00 O ATOM 477 CB ALA A 35 4.745 -21.588 16.397 1.00 0.00 C ATOM 0 H ALA A 35 2.792 -22.435 15.155 1.00 0.00 H new ATOM 0 HA ALA A 35 3.072 -20.395 16.945 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.432 -21.036 17.039 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.378 -22.466 16.928 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.267 -21.903 15.493 1.00 0.00 H new ATOM 483 N ASP A 36 4.646 -19.606 14.157 1.00 0.00 N ATOM 484 CA ASP A 36 5.127 -18.483 13.369 1.00 0.00 C ATOM 485 C ASP A 36 3.999 -17.977 12.468 1.00 0.00 C ATOM 486 O ASP A 36 3.856 -18.429 11.333 1.00 0.00 O ATOM 487 CB ASP A 36 6.296 -18.899 12.475 1.00 0.00 C ATOM 488 CG ASP A 36 7.288 -19.872 13.116 1.00 0.00 C ATOM 489 OD1 ASP A 36 7.390 -19.839 14.362 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.921 -20.626 12.347 1.00 0.00 O ATOM 0 H ASP A 36 4.838 -20.523 13.754 1.00 0.00 H new ATOM 0 HA ASP A 36 5.458 -17.705 14.057 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.896 -19.356 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.836 -18.003 12.169 1.00 0.00 H new ATOM 495 N LYS A 37 3.226 -17.046 13.008 1.00 0.00 N ATOM 496 CA LYS A 37 2.115 -16.473 12.267 1.00 0.00 C ATOM 497 C LYS A 37 2.659 -15.622 11.118 1.00 0.00 C ATOM 498 O LYS A 37 2.404 -15.913 9.951 1.00 0.00 O ATOM 499 CB LYS A 37 1.180 -15.711 13.208 1.00 0.00 C ATOM 500 CG LYS A 37 0.195 -16.663 13.891 1.00 0.00 C ATOM 501 CD LYS A 37 -0.099 -16.212 15.323 1.00 0.00 C ATOM 502 CE LYS A 37 -1.497 -15.601 15.430 1.00 0.00 C ATOM 503 NZ LYS A 37 -1.872 -15.408 16.849 1.00 0.00 N ATOM 0 H LYS A 37 3.347 -16.674 13.950 1.00 0.00 H new ATOM 0 HA LYS A 37 1.508 -17.261 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.766 -15.186 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.631 -14.955 12.647 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.733 -16.703 13.321 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.607 -17.672 13.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.017 -17.063 16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.646 -15.481 15.638 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.523 -14.645 14.908 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.223 -16.251 14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.824 -14.992 16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.867 -16.326 17.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.189 -14.770 17.305 1.00 0.00 H new ATOM 517 N LYS A 38 3.398 -14.587 11.490 1.00 0.00 N ATOM 518 CA LYS A 38 3.980 -13.691 10.504 1.00 0.00 C ATOM 519 C LYS A 38 4.536 -14.513 9.340 1.00 0.00 C ATOM 520 O LYS A 38 4.185 -14.276 8.185 1.00 0.00 O ATOM 521 CB LYS A 38 5.015 -12.774 11.159 1.00 0.00 C ATOM 522 CG LYS A 38 4.741 -11.308 10.820 1.00 0.00 C ATOM 523 CD LYS A 38 3.782 -10.681 11.834 1.00 0.00 C ATOM 524 CE LYS A 38 4.488 -10.417 13.166 1.00 0.00 C ATOM 525 NZ LYS A 38 4.638 -8.963 13.394 1.00 0.00 N ATOM 0 H LYS A 38 3.607 -14.349 12.459 1.00 0.00 H new ATOM 0 HA LYS A 38 3.217 -13.030 10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.995 -12.911 12.240 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.014 -13.048 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.679 -10.752 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.316 -11.236 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.387 -9.746 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.932 -11.344 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.917 -10.862 13.981 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.468 -10.894 13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.119 -8.802 14.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.202 -8.547 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.699 -8.516 13.415 1.00 0.00 H new ATOM 539 N THR A 39 5.395 -15.462 9.683 1.00 0.00 N ATOM 540 CA THR A 39 6.003 -16.320 8.681 1.00 0.00 C ATOM 541 C THR A 39 4.924 -17.013 7.847 1.00 0.00 C ATOM 542 O THR A 39 4.873 -16.847 6.629 1.00 0.00 O ATOM 543 CB THR A 39 6.938 -17.296 9.398 1.00 0.00 C ATOM 544 OG1 THR A 39 7.971 -16.466 9.921 1.00 0.00 O ATOM 545 CG2 THR A 39 7.665 -18.229 8.428 1.00 0.00 C ATOM 0 H THR A 39 5.684 -15.655 10.642 1.00 0.00 H new ATOM 0 HA THR A 39 6.596 -15.742 7.972 1.00 0.00 H new ATOM 0 HB THR A 39 6.366 -17.889 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.621 -17.018 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.315 -18.901 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.934 -18.814 7.869 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.264 -17.638 7.735 1.00 0.00 H new ATOM 553 N CYS A 40 4.087 -17.775 8.536 1.00 0.00 N ATOM 554 CA CYS A 40 3.012 -18.495 7.875 1.00 0.00 C ATOM 555 C CYS A 40 2.399 -17.575 6.817 1.00 0.00 C ATOM 556 O CYS A 40 2.297 -17.948 5.649 1.00 0.00 O ATOM 557 CB CYS A 40 1.966 -18.993 8.874 1.00 0.00 C ATOM 558 SG CYS A 40 1.052 -20.488 8.347 1.00 0.00 S ATOM 0 H CYS A 40 4.132 -17.909 9.546 1.00 0.00 H new ATOM 0 HA CYS A 40 3.411 -19.388 7.393 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.461 -19.202 9.822 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.250 -18.192 9.058 1.00 0.00 H new ATOM 563 N ARG A 41 2.006 -16.391 7.264 1.00 0.00 N ATOM 564 CA ARG A 41 1.405 -15.416 6.370 1.00 0.00 C ATOM 565 C ARG A 41 2.400 -15.011 5.280 1.00 0.00 C ATOM 566 O ARG A 41 2.118 -15.158 4.092 1.00 0.00 O ATOM 567 CB ARG A 41 0.962 -14.167 7.136 1.00 0.00 C ATOM 568 CG ARG A 41 -0.182 -14.492 8.099 1.00 0.00 C ATOM 569 CD ARG A 41 -1.184 -13.338 8.168 1.00 0.00 C ATOM 570 NE ARG A 41 -1.361 -12.905 9.572 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.799 -11.691 9.934 1.00 0.00 C ATOM 572 NH1 ARG A 41 -2.108 -10.784 8.998 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.928 -11.385 11.232 1.00 0.00 N ATOM 0 H ARG A 41 2.092 -16.085 8.233 1.00 0.00 H new ATOM 0 HA ARG A 41 0.530 -15.879 5.914 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.806 -13.759 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.643 -13.398 6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.689 -15.400 7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.219 -14.690 9.093 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.832 -12.503 7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.141 -13.651 7.752 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.136 -13.572 10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.010 -11.017 8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.441 -9.860 9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.693 -12.076 11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.261 -10.461 11.508 1.00 0.00 H new ATOM 587 N ARG A 42 3.543 -14.509 5.724 1.00 0.00 N ATOM 588 CA ARG A 42 4.581 -14.082 4.801 1.00 0.00 C ATOM 589 C ARG A 42 4.680 -15.057 3.626 1.00 0.00 C ATOM 590 O ARG A 42 4.701 -14.640 2.469 1.00 0.00 O ATOM 591 CB ARG A 42 5.939 -13.997 5.500 1.00 0.00 C ATOM 592 CG ARG A 42 6.423 -12.548 5.585 1.00 0.00 C ATOM 593 CD ARG A 42 6.139 -11.955 6.966 1.00 0.00 C ATOM 594 NE ARG A 42 5.428 -10.664 6.826 1.00 0.00 N ATOM 595 CZ ARG A 42 6.011 -9.526 6.426 1.00 0.00 C ATOM 596 NH1 ARG A 42 7.316 -9.511 6.124 1.00 0.00 N ATOM 597 NH2 ARG A 42 5.288 -8.402 6.328 1.00 0.00 N ATOM 0 H ARG A 42 3.773 -14.388 6.710 1.00 0.00 H new ATOM 0 HA ARG A 42 4.312 -13.092 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.863 -14.418 6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.669 -14.597 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.493 -12.506 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.928 -11.950 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.537 -12.649 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.074 -11.808 7.507 1.00 0.00 H new ATOM 0 HE ARG A 42 4.433 -10.639 7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.867 -10.366 6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.759 -8.644 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.294 -8.413 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.731 -7.535 6.024 1.00 0.00 H new ATOM 611 N ASN A 43 4.738 -16.337 3.963 1.00 0.00 N ATOM 612 CA ASN A 43 4.834 -17.374 2.951 1.00 0.00 C ATOM 613 C ASN A 43 3.500 -17.484 2.211 1.00 0.00 C ATOM 614 O ASN A 43 3.473 -17.619 0.988 1.00 0.00 O ATOM 615 CB ASN A 43 5.138 -18.734 3.582 1.00 0.00 C ATOM 616 CG ASN A 43 6.553 -19.199 3.230 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.899 -19.401 2.078 1.00 0.00 O ATOM 618 ND2 ASN A 43 7.348 -19.356 4.284 1.00 0.00 N ATOM 0 H ASN A 43 4.720 -16.679 4.924 1.00 0.00 H new ATOM 0 HA ASN A 43 5.640 -17.105 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.032 -18.668 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.413 -19.470 3.235 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.312 -19.663 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.994 -19.169 5.222 1.00 0.00 H new ATOM 625 N CYS A 44 2.425 -17.422 2.983 1.00 0.00 N ATOM 626 CA CYS A 44 1.090 -17.513 2.416 1.00 0.00 C ATOM 627 C CYS A 44 0.961 -16.456 1.317 1.00 0.00 C ATOM 628 O CYS A 44 0.273 -16.671 0.321 1.00 0.00 O ATOM 629 CB CYS A 44 0.008 -17.358 3.487 1.00 0.00 C ATOM 630 SG CYS A 44 -1.693 -17.718 2.917 1.00 0.00 S ATOM 0 H CYS A 44 2.451 -17.310 3.996 1.00 0.00 H new ATOM 0 HA CYS A 44 0.943 -18.503 1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.244 -18.019 4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.039 -16.338 3.870 1.00 0.00 H new ATOM 635 N LYS A 45 1.635 -15.336 1.536 1.00 0.00 N ATOM 636 CA LYS A 45 1.605 -14.245 0.577 1.00 0.00 C ATOM 637 C LYS A 45 2.215 -14.716 -0.745 1.00 0.00 C ATOM 638 O LYS A 45 1.708 -14.390 -1.817 1.00 0.00 O ATOM 639 CB LYS A 45 2.283 -13.003 1.158 1.00 0.00 C ATOM 640 CG LYS A 45 2.238 -11.839 0.166 1.00 0.00 C ATOM 641 CD LYS A 45 3.603 -11.628 -0.493 1.00 0.00 C ATOM 642 CE LYS A 45 4.480 -10.699 0.348 1.00 0.00 C ATOM 643 NZ LYS A 45 5.913 -10.978 0.104 1.00 0.00 N ATOM 0 H LYS A 45 2.205 -15.161 2.364 1.00 0.00 H new ATOM 0 HA LYS A 45 0.577 -13.951 0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.788 -12.714 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.319 -13.233 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.487 -12.037 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.934 -10.928 0.682 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.102 -12.589 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.469 -11.205 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.259 -9.660 0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.252 -10.833 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.495 -10.339 0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.123 -11.964 0.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.130 -10.828 -0.902 1.00 0.00 H new ATOM 657 N LYS A 46 3.293 -15.477 -0.625 1.00 0.00 N ATOM 658 CA LYS A 46 3.977 -15.996 -1.797 1.00 0.00 C ATOM 659 C LYS A 46 3.166 -17.153 -2.384 1.00 0.00 C ATOM 660 O LYS A 46 3.293 -17.468 -3.566 1.00 0.00 O ATOM 661 CB LYS A 46 5.420 -16.369 -1.454 1.00 0.00 C ATOM 662 CG LYS A 46 6.118 -17.018 -2.651 1.00 0.00 C ATOM 663 CD LYS A 46 6.536 -15.966 -3.679 1.00 0.00 C ATOM 664 CE LYS A 46 7.750 -15.174 -3.191 1.00 0.00 C ATOM 665 NZ LYS A 46 9.005 -15.818 -3.641 1.00 0.00 N ATOM 0 H LYS A 46 3.710 -15.747 0.266 1.00 0.00 H new ATOM 0 HA LYS A 46 4.045 -15.229 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.967 -15.477 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.431 -17.055 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.996 -17.568 -2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.450 -17.742 -3.117 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.771 -16.451 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.705 -15.286 -3.867 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.702 -14.153 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.737 -15.111 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.819 -15.267 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.056 -16.784 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.022 -15.856 -4.680 1.00 0.00 H new ATOM 679 N ALA A 47 2.349 -17.754 -1.531 1.00 0.00 N ATOM 680 CA ALA A 47 1.518 -18.870 -1.950 1.00 0.00 C ATOM 681 C ALA A 47 0.802 -18.505 -3.253 1.00 0.00 C ATOM 682 O ALA A 47 0.989 -19.166 -4.273 1.00 0.00 O ATOM 683 CB ALA A 47 0.540 -19.228 -0.829 1.00 0.00 C ATOM 0 H ALA A 47 2.245 -17.489 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 47 2.129 -19.752 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.083 -20.065 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.098 -19.507 0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.092 -18.368 -0.609 1.00 0.00 H new ATOM 689 N ASP A 48 -0.001 -17.455 -3.175 1.00 0.00 N ATOM 690 CA ASP A 48 -0.745 -16.995 -4.335 1.00 0.00 C ATOM 691 C ASP A 48 -1.288 -15.590 -4.064 1.00 0.00 C ATOM 692 O ASP A 48 -2.487 -15.348 -4.194 1.00 0.00 O ATOM 693 CB ASP A 48 -1.934 -17.912 -4.626 1.00 0.00 C ATOM 694 CG ASP A 48 -2.396 -17.930 -6.085 1.00 0.00 C ATOM 695 OD1 ASP A 48 -1.566 -17.569 -6.947 1.00 0.00 O ATOM 696 OD2 ASP A 48 -3.568 -18.303 -6.305 1.00 0.00 O ATOM 0 H ASP A 48 -0.153 -16.909 -2.327 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.069 -16.997 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.670 -18.928 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.772 -17.606 -3.999 1.00 0.00 H new ATOM 701 N CYS A 49 -0.378 -14.701 -3.691 1.00 0.00 N ATOM 702 CA CYS A 49 -0.751 -13.327 -3.400 1.00 0.00 C ATOM 703 C CYS A 49 0.360 -12.409 -3.914 1.00 0.00 C ATOM 704 O CYS A 49 0.525 -11.293 -3.424 1.00 0.00 O ATOM 705 CB CYS A 49 -1.019 -13.117 -1.909 1.00 0.00 C ATOM 706 SG CYS A 49 -2.006 -14.438 -1.114 1.00 0.00 S ATOM 0 H CYS A 49 0.616 -14.906 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.685 -13.086 -3.907 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.064 -13.034 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.536 -12.167 -1.777 1.00 0.00 H new ATOM 711 N GLU A 50 1.094 -12.913 -4.896 1.00 0.00 N ATOM 712 CA GLU A 50 2.185 -12.153 -5.482 1.00 0.00 C ATOM 713 C GLU A 50 1.640 -10.939 -6.236 1.00 0.00 C ATOM 714 O GLU A 50 2.135 -9.825 -6.069 1.00 0.00 O ATOM 715 CB GLU A 50 3.035 -13.033 -6.400 1.00 0.00 C ATOM 716 CG GLU A 50 4.297 -13.515 -5.681 1.00 0.00 C ATOM 717 CD GLU A 50 5.300 -12.372 -5.507 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.668 -11.777 -6.543 1.00 0.00 O ATOM 719 OE2 GLU A 50 5.675 -12.120 -4.342 1.00 0.00 O ATOM 0 H GLU A 50 0.954 -13.839 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 50 2.828 -11.798 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.450 -13.891 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.312 -12.473 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.031 -13.922 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.757 -14.324 -6.249 1.00 0.00 H new ATOM 726 N PRO A 51 0.601 -11.201 -7.074 1.00 0.00 N ATOM 727 CA PRO A 51 -0.017 -10.143 -7.855 1.00 0.00 C ATOM 728 C PRO A 51 -0.904 -9.259 -6.976 1.00 0.00 C ATOM 729 O PRO A 51 -1.169 -8.107 -7.316 1.00 0.00 O ATOM 730 CB PRO A 51 -0.792 -10.862 -8.947 1.00 0.00 C ATOM 731 CG PRO A 51 -0.961 -12.294 -8.466 1.00 0.00 C ATOM 732 CD PRO A 51 -0.012 -12.508 -7.298 1.00 0.00 C ATOM 0 HA PRO A 51 0.713 -9.458 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.760 -10.390 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.253 -10.829 -9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.991 -12.475 -8.159 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.741 -12.996 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.546 -12.852 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.739 -13.263 -7.531 1.00 0.00 H new ATOM 740 N GLN A 52 -1.337 -9.831 -5.862 1.00 0.00 N ATOM 741 CA GLN A 52 -2.188 -9.109 -4.932 1.00 0.00 C ATOM 742 C GLN A 52 -1.346 -8.183 -4.052 1.00 0.00 C ATOM 743 O GLN A 52 -1.555 -6.971 -4.042 1.00 0.00 O ATOM 744 CB GLN A 52 -3.012 -10.076 -4.079 1.00 0.00 C ATOM 745 CG GLN A 52 -3.621 -11.184 -4.941 1.00 0.00 C ATOM 746 CD GLN A 52 -4.284 -12.254 -4.070 1.00 0.00 C ATOM 747 OE1 GLN A 52 -3.956 -12.437 -2.910 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.233 -12.946 -4.694 1.00 0.00 N ATOM 0 H GLN A 52 -1.114 -10.786 -5.583 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.885 -8.498 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.380 -10.516 -3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.805 -9.530 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.357 -10.757 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.845 -11.640 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.458 -12.740 -5.668 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.736 -13.682 -4.199 1.00 0.00 H new ATOM 757 N ASP A 53 -0.412 -8.789 -3.333 1.00 0.00 N ATOM 758 CA ASP A 53 0.462 -8.034 -2.452 1.00 0.00 C ATOM 759 C ASP A 53 1.099 -6.885 -3.235 1.00 0.00 C ATOM 760 O ASP A 53 1.378 -5.826 -2.675 1.00 0.00 O ATOM 761 CB ASP A 53 1.587 -8.915 -1.905 1.00 0.00 C ATOM 762 CG ASP A 53 2.170 -8.461 -0.565 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.522 -8.751 0.463 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.251 -7.835 -0.600 1.00 0.00 O ATOM 0 H ASP A 53 -0.242 -9.795 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.138 -7.659 -1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.211 -9.932 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.391 -8.951 -2.641 1.00 0.00 H new ATOM 769 N LYS A 54 1.312 -7.132 -4.519 1.00 0.00 N ATOM 770 CA LYS A 54 1.911 -6.132 -5.385 1.00 0.00 C ATOM 771 C LYS A 54 0.899 -5.013 -5.641 1.00 0.00 C ATOM 772 O LYS A 54 1.094 -3.882 -5.199 1.00 0.00 O ATOM 773 CB LYS A 54 2.447 -6.780 -6.663 1.00 0.00 C ATOM 774 CG LYS A 54 3.816 -7.419 -6.421 1.00 0.00 C ATOM 775 CD LYS A 54 4.499 -7.769 -7.745 1.00 0.00 C ATOM 776 CE LYS A 54 5.809 -6.995 -7.908 1.00 0.00 C ATOM 777 NZ LYS A 54 6.766 -7.763 -8.734 1.00 0.00 N ATOM 0 H LYS A 54 1.080 -8.011 -4.981 1.00 0.00 H new ATOM 0 HA LYS A 54 2.775 -5.677 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.745 -7.537 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.526 -6.030 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.446 -6.734 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.700 -8.320 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.698 -8.840 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.831 -7.539 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.612 -6.029 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.244 -6.795 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.649 -7.223 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.967 -8.674 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.355 -7.932 -9.674 1.00 0.00 H new ATOM 791 N VAL A 55 -0.159 -5.368 -6.354 1.00 0.00 N ATOM 792 CA VAL A 55 -1.202 -4.408 -6.674 1.00 0.00 C ATOM 793 C VAL A 55 -1.443 -3.501 -5.466 1.00 0.00 C ATOM 794 O VAL A 55 -1.798 -2.334 -5.622 1.00 0.00 O ATOM 795 CB VAL A 55 -2.465 -5.140 -7.134 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.627 -4.164 -7.321 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.203 -5.933 -8.416 1.00 0.00 C ATOM 0 H VAL A 55 -0.317 -6.307 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.893 -3.771 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.745 -5.848 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.512 -4.710 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.838 -3.664 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.361 -3.421 -8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.116 -6.444 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.886 -5.253 -9.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.419 -6.669 -8.235 1.00 0.00 H new ATOM 807 N CYS A 56 -1.241 -4.073 -4.288 1.00 0.00 N ATOM 808 CA CYS A 56 -1.432 -3.331 -3.053 1.00 0.00 C ATOM 809 C CYS A 56 -0.350 -2.253 -2.968 1.00 0.00 C ATOM 810 O CYS A 56 -0.652 -1.061 -3.012 1.00 0.00 O ATOM 811 CB CYS A 56 -1.417 -4.252 -1.831 1.00 0.00 C ATOM 812 SG CYS A 56 -2.187 -3.546 -0.329 1.00 0.00 S ATOM 0 H CYS A 56 -0.947 -5.042 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.414 -2.859 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.932 -5.178 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.384 -4.514 -1.604 1.00 0.00 H new ATOM 817 N ASP A 57 0.887 -2.710 -2.848 1.00 0.00 N ATOM 818 CA ASP A 57 2.016 -1.799 -2.757 1.00 0.00 C ATOM 819 C ASP A 57 1.796 -0.624 -3.712 1.00 0.00 C ATOM 820 O ASP A 57 1.897 0.534 -3.311 1.00 0.00 O ATOM 821 CB ASP A 57 3.319 -2.495 -3.156 1.00 0.00 C ATOM 822 CG ASP A 57 4.581 -1.645 -2.997 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.474 -0.587 -2.339 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.624 -2.072 -3.536 1.00 0.00 O ATOM 0 H ASP A 57 1.133 -3.699 -2.812 1.00 0.00 H new ATOM 0 HA ASP A 57 2.091 -1.457 -1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.429 -3.398 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.241 -2.811 -4.196 1.00 0.00 H new ATOM 829 N ALA A 58 1.500 -0.964 -4.958 1.00 0.00 N ATOM 830 CA ALA A 58 1.265 0.049 -5.974 1.00 0.00 C ATOM 831 C ALA A 58 0.360 1.141 -5.400 1.00 0.00 C ATOM 832 O ALA A 58 0.689 2.324 -5.469 1.00 0.00 O ATOM 833 CB ALA A 58 0.668 -0.607 -7.221 1.00 0.00 C ATOM 0 H ALA A 58 1.417 -1.926 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 58 2.202 0.520 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.492 0.153 -7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.362 -1.354 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.276 -1.088 -6.963 1.00 0.00 H new ATOM 839 N CYS A 59 -0.761 0.704 -4.845 1.00 0.00 N ATOM 840 CA CYS A 59 -1.716 1.630 -4.260 1.00 0.00 C ATOM 841 C CYS A 59 -0.957 2.578 -3.329 1.00 0.00 C ATOM 842 O CYS A 59 -0.940 3.788 -3.549 1.00 0.00 O ATOM 843 CB CYS A 59 -2.842 0.895 -3.530 1.00 0.00 C ATOM 844 SG CYS A 59 -4.058 1.983 -2.701 1.00 0.00 S ATOM 0 H CYS A 59 -1.029 -0.278 -4.788 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.198 2.206 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.369 0.264 -4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.401 0.232 -2.785 1.00 0.00 H new ATOM 849 N ARG A 60 -0.347 1.992 -2.309 1.00 0.00 N ATOM 850 CA ARG A 60 0.412 2.770 -1.344 1.00 0.00 C ATOM 851 C ARG A 60 1.448 3.639 -2.061 1.00 0.00 C ATOM 852 O ARG A 60 1.671 4.787 -1.679 1.00 0.00 O ATOM 853 CB ARG A 60 1.126 1.860 -0.343 1.00 0.00 C ATOM 854 CG ARG A 60 0.119 1.127 0.546 1.00 0.00 C ATOM 855 CD ARG A 60 0.652 0.981 1.973 1.00 0.00 C ATOM 856 NE ARG A 60 -0.158 -0.010 2.716 1.00 0.00 N ATOM 857 CZ ARG A 60 0.080 -0.376 3.984 1.00 0.00 C ATOM 858 NH1 ARG A 60 1.105 0.166 4.656 1.00 0.00 N ATOM 859 NH2 ARG A 60 -0.707 -1.282 4.578 1.00 0.00 N ATOM 0 H ARG A 60 -0.363 0.988 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.290 3.405 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.739 1.135 -0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.800 2.452 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.824 1.673 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.090 0.142 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.695 0.667 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.620 1.944 2.482 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.946 -0.441 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.704 0.857 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.286 -0.112 5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.487 -1.694 4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.526 -1.561 5.542 1.00 0.00 H new ATOM 873 N MET A 61 2.053 3.059 -3.086 1.00 0.00 N ATOM 874 CA MET A 61 3.060 3.767 -3.859 1.00 0.00 C ATOM 875 C MET A 61 2.446 4.958 -4.598 1.00 0.00 C ATOM 876 O MET A 61 3.047 6.030 -4.662 1.00 0.00 O ATOM 877 CB MET A 61 3.694 2.810 -4.871 1.00 0.00 C ATOM 878 CG MET A 61 4.359 3.580 -6.012 1.00 0.00 C ATOM 879 SD MET A 61 5.914 2.815 -6.440 1.00 0.00 S ATOM 880 CE MET A 61 5.390 1.788 -7.802 1.00 0.00 C ATOM 0 H MET A 61 1.866 2.107 -3.400 1.00 0.00 H new ATOM 0 HA MET A 61 3.821 4.141 -3.174 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.433 2.184 -4.371 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.931 2.143 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.702 3.598 -6.881 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.523 4.616 -5.715 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.245 1.236 -8.191 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.631 1.086 -7.457 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.973 2.414 -8.591 1.00 0.00 H new ATOM 890 N LYS A 62 1.258 4.730 -5.138 1.00 0.00 N ATOM 891 CA LYS A 62 0.557 5.771 -5.870 1.00 0.00 C ATOM 892 C LYS A 62 0.062 6.835 -4.888 1.00 0.00 C ATOM 893 O LYS A 62 0.128 8.029 -5.175 1.00 0.00 O ATOM 894 CB LYS A 62 -0.554 5.166 -6.731 1.00 0.00 C ATOM 895 CG LYS A 62 -0.513 5.728 -8.153 1.00 0.00 C ATOM 896 CD LYS A 62 0.107 4.721 -9.124 1.00 0.00 C ATOM 897 CE LYS A 62 1.471 5.206 -9.620 1.00 0.00 C ATOM 898 NZ LYS A 62 1.453 5.388 -11.089 1.00 0.00 N ATOM 0 H LYS A 62 0.763 3.840 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 62 1.233 6.268 -6.565 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.446 4.082 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.524 5.377 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.523 5.978 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.064 6.653 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.218 3.755 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.560 4.571 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.728 6.147 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.242 4.485 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.386 5.717 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.229 4.482 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.731 6.093 -11.343 1.00 0.00 H new ATOM 912 N CYS A 63 -0.422 6.363 -3.748 1.00 0.00 N ATOM 913 CA CYS A 63 -0.928 7.258 -2.722 1.00 0.00 C ATOM 914 C CYS A 63 0.183 8.245 -2.355 1.00 0.00 C ATOM 915 O CYS A 63 -0.061 9.445 -2.241 1.00 0.00 O ATOM 916 CB CYS A 63 -1.434 6.490 -1.500 1.00 0.00 C ATOM 917 SG CYS A 63 -3.252 6.494 -1.289 1.00 0.00 S ATOM 0 H CYS A 63 -0.474 5.372 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.788 7.806 -3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.093 5.457 -1.571 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.978 6.916 -0.606 1.00 0.00 H new ATOM 922 N HIS A 64 1.379 7.702 -2.182 1.00 0.00 N ATOM 923 CA HIS A 64 2.528 8.520 -1.831 1.00 0.00 C ATOM 924 C HIS A 64 2.540 9.784 -2.693 1.00 0.00 C ATOM 925 O HIS A 64 2.564 10.897 -2.169 1.00 0.00 O ATOM 926 CB HIS A 64 3.823 7.713 -1.944 1.00 0.00 C ATOM 927 CG HIS A 64 5.028 8.538 -2.329 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.273 8.946 -3.629 1.00 0.00 N ATOM 929 CD2 HIS A 64 6.053 9.026 -1.573 1.00 0.00 C ATOM 930 CE1 HIS A 64 6.398 9.646 -3.642 1.00 0.00 C ATOM 931 NE2 HIS A 64 6.880 9.694 -2.367 1.00 0.00 N ATOM 0 H HIS A 64 1.578 6.706 -2.278 1.00 0.00 H new ATOM 0 HA HIS A 64 2.453 8.833 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.019 7.225 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.684 6.924 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.171 8.891 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.853 10.099 -4.510 1.00 0.00 H new ATOM 0 HE2 HIS A 64 7.735 10.166 -2.072 1.00 0.00 H new ATOM 939 N LYS A 65 2.524 9.571 -4.000 1.00 0.00 N ATOM 940 CA LYS A 65 2.534 10.680 -4.940 1.00 0.00 C ATOM 941 C LYS A 65 1.187 11.404 -4.880 1.00 0.00 C ATOM 942 O LYS A 65 1.134 12.630 -4.952 1.00 0.00 O ATOM 943 CB LYS A 65 2.908 10.192 -6.340 1.00 0.00 C ATOM 944 CG LYS A 65 4.384 10.466 -6.640 1.00 0.00 C ATOM 945 CD LYS A 65 4.697 10.223 -8.118 1.00 0.00 C ATOM 946 CE LYS A 65 6.207 10.134 -8.350 1.00 0.00 C ATOM 947 NZ LYS A 65 6.538 8.939 -9.159 1.00 0.00 N ATOM 0 H LYS A 65 2.504 8.647 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 65 3.300 11.406 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.709 9.123 -6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.284 10.690 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.627 11.496 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.010 9.823 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.220 9.300 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.280 11.031 -8.720 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.556 11.033 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.726 10.087 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.566 8.894 -9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.222 8.083 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.058 8.999 -10.080 1.00 0.00 H new ATOM 961 N ALA A 66 0.131 10.613 -4.751 1.00 0.00 N ATOM 962 CA ALA A 66 -1.211 11.164 -4.681 1.00 0.00 C ATOM 963 C ALA A 66 -1.271 12.213 -3.569 1.00 0.00 C ATOM 964 O ALA A 66 -1.710 13.339 -3.796 1.00 0.00 O ATOM 965 CB ALA A 66 -2.217 10.031 -4.468 1.00 0.00 C ATOM 0 H ALA A 66 0.178 9.596 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.471 11.660 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.224 10.444 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.156 9.329 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.989 9.512 -3.537 1.00 0.00 H new ATOM 971 N CYS A 67 -0.824 11.805 -2.390 1.00 0.00 N ATOM 972 CA CYS A 67 -0.820 12.696 -1.242 1.00 0.00 C ATOM 973 C CYS A 67 0.014 13.929 -1.593 1.00 0.00 C ATOM 974 O CYS A 67 -0.440 15.060 -1.424 1.00 0.00 O ATOM 975 CB CYS A 67 -0.303 11.996 0.016 1.00 0.00 C ATOM 976 SG CYS A 67 -0.413 12.990 1.548 1.00 0.00 S ATOM 0 H CYS A 67 -0.462 10.869 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.841 13.003 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -0.865 11.073 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.738 11.715 -0.144 1.00 0.00 H new ATOM 981 N ARG A 68 1.221 13.670 -2.076 1.00 0.00 N ATOM 982 CA ARG A 68 2.123 14.745 -2.452 1.00 0.00 C ATOM 983 C ARG A 68 1.379 15.798 -3.276 1.00 0.00 C ATOM 984 O ARG A 68 1.663 16.990 -3.167 1.00 0.00 O ATOM 985 CB ARG A 68 3.305 14.213 -3.265 1.00 0.00 C ATOM 986 CG ARG A 68 4.337 15.313 -3.516 1.00 0.00 C ATOM 987 CD ARG A 68 5.523 14.779 -4.322 1.00 0.00 C ATOM 988 NE ARG A 68 5.629 15.505 -5.608 1.00 0.00 N ATOM 989 CZ ARG A 68 4.944 15.180 -6.713 1.00 0.00 C ATOM 990 NH1 ARG A 68 4.099 14.140 -6.695 1.00 0.00 N ATOM 991 NH2 ARG A 68 5.103 15.895 -7.835 1.00 0.00 N ATOM 0 H ARG A 68 1.595 12.731 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 68 2.501 15.197 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.773 13.385 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.949 13.820 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.870 16.139 -4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.689 15.710 -2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.444 14.897 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.397 13.712 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 68 6.263 16.302 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.978 13.596 -5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.577 13.892 -7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.746 16.687 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.581 15.647 -8.676 1.00 0.00 H new ATOM 1005 N ALA A 69 0.442 15.320 -4.081 1.00 0.00 N ATOM 1006 CA ALA A 69 -0.344 16.206 -4.923 1.00 0.00 C ATOM 1007 C ALA A 69 -1.600 16.641 -4.165 1.00 0.00 C ATOM 1008 O ALA A 69 -2.153 17.707 -4.433 1.00 0.00 O ATOM 1009 CB ALA A 69 -0.674 15.500 -6.240 1.00 0.00 C ATOM 0 H ALA A 69 0.209 14.331 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 69 0.222 17.105 -5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.264 16.165 -6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.251 15.237 -6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.245 14.594 -6.034 1.00 0.00 H new ATOM 1015 N ALA A 70 -2.013 15.794 -3.233 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.193 16.078 -2.434 1.00 0.00 C ATOM 1017 C ALA A 70 -2.831 17.077 -1.333 1.00 0.00 C ATOM 1018 O ALA A 70 -3.143 18.262 -1.438 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.757 14.771 -1.873 1.00 0.00 C ATOM 0 H ALA A 70 -1.552 14.911 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.971 16.532 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.642 14.984 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.027 14.108 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.005 14.288 -1.250 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.176 16.561 -0.304 1.00 0.00 N ATOM 1026 CA ASN A 71 -1.767 17.393 0.816 1.00 0.00 C ATOM 1027 C ASN A 71 -0.830 18.493 0.312 1.00 0.00 C ATOM 1028 O ASN A 71 -1.221 19.657 0.230 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.012 16.573 1.864 1.00 0.00 C ATOM 1030 CG ASN A 71 -1.715 16.639 3.222 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -1.739 17.661 3.888 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -2.285 15.496 3.592 1.00 0.00 N ATOM 0 H ASN A 71 -1.918 15.578 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.664 17.817 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.941 15.536 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.007 16.948 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.780 15.438 4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.227 14.678 2.986 1.00 0.00 H new ATOM 1039 N CYS A 72 0.388 18.087 -0.012 1.00 0.00 N ATOM 1040 CA CYS A 72 1.384 19.024 -0.505 1.00 0.00 C ATOM 1041 C CYS A 72 1.018 19.401 -1.941 1.00 0.00 C ATOM 1042 O CYS A 72 0.161 18.766 -2.555 1.00 0.00 O ATOM 1043 CB CYS A 72 2.798 18.449 -0.408 1.00 0.00 C ATOM 1044 SG CYS A 72 3.303 17.930 1.272 1.00 0.00 S ATOM 0 H CYS A 72 0.709 17.121 0.057 1.00 0.00 H new ATOM 0 HA CYS A 72 1.384 19.920 0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.872 17.591 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.504 19.196 -0.770 1.00 0.00 H new ATOM 1049 N ALA A 73 1.685 20.434 -2.436 1.00 0.00 N ATOM 1050 CA ALA A 73 1.440 20.904 -3.789 1.00 0.00 C ATOM 1051 C ALA A 73 2.471 21.977 -4.145 1.00 0.00 C ATOM 1052 O ALA A 73 3.022 21.972 -5.245 1.00 0.00 O ATOM 1053 CB ALA A 73 0.003 21.417 -3.900 1.00 0.00 C ATOM 0 H ALA A 73 2.395 20.958 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 73 1.551 20.089 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.180 21.769 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.691 20.610 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.145 22.238 -3.199 1.00 0.00 H new ATOM 1059 N SER A 74 2.700 22.871 -3.195 1.00 0.00 N ATOM 1060 CA SER A 74 3.655 23.948 -3.395 1.00 0.00 C ATOM 1061 C SER A 74 5.052 23.496 -2.962 1.00 0.00 C ATOM 1062 O SER A 74 6.036 23.763 -3.650 1.00 0.00 O ATOM 1063 CB SER A 74 3.240 25.202 -2.624 1.00 0.00 C ATOM 1064 OG SER A 74 3.954 26.356 -3.059 1.00 0.00 O ATOM 0 H SER A 74 2.241 22.872 -2.284 1.00 0.00 H new ATOM 0 HA SER A 74 3.673 24.196 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.170 25.368 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.415 25.047 -1.559 1.00 0.00 H new ATOM 0 HG SER A 74 3.660 27.136 -2.544 1.00 0.00 H new ATOM 1070 N GLU A 75 5.093 22.819 -1.824 1.00 0.00 N ATOM 1071 CA GLU A 75 6.353 22.328 -1.291 1.00 0.00 C ATOM 1072 C GLU A 75 7.041 21.417 -2.309 1.00 0.00 C ATOM 1073 O GLU A 75 8.266 21.411 -2.413 1.00 0.00 O ATOM 1074 CB GLU A 75 6.139 21.601 0.039 1.00 0.00 C ATOM 1075 CG GLU A 75 5.950 22.598 1.184 1.00 0.00 C ATOM 1076 CD GLU A 75 4.757 23.519 0.918 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.974 24.547 0.241 1.00 0.00 O ATOM 1078 OE2 GLU A 75 3.656 23.174 1.398 1.00 0.00 O ATOM 0 H GLU A 75 4.275 22.599 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 75 7.002 23.182 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.265 20.954 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.995 20.959 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.796 22.059 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.854 23.194 1.305 1.00 0.00 H new ATOM 1085 N CYS A 76 6.222 20.669 -3.035 1.00 0.00 N ATOM 1086 CA CYS A 76 6.736 19.756 -4.041 1.00 0.00 C ATOM 1087 C CYS A 76 6.240 20.223 -5.411 1.00 0.00 C ATOM 1088 O CYS A 76 5.085 19.996 -5.767 1.00 0.00 O ATOM 1089 CB CYS A 76 6.334 18.309 -3.751 1.00 0.00 C ATOM 1090 SG CYS A 76 6.605 17.769 -2.024 1.00 0.00 S ATOM 0 H CYS A 76 5.206 20.677 -2.946 1.00 0.00 H new ATOM 0 HA CYS A 76 7.826 19.770 -4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.279 18.184 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.895 17.651 -4.415 1.00 0.00 H new ATOM 1095 N PRO A 77 7.162 20.883 -6.162 1.00 0.00 N ATOM 1096 CA PRO A 77 6.830 21.383 -7.485 1.00 0.00 C ATOM 1097 C PRO A 77 6.767 20.243 -8.503 1.00 0.00 C ATOM 1098 O PRO A 77 6.876 19.073 -8.137 1.00 0.00 O ATOM 1099 CB PRO A 77 7.911 22.403 -7.803 1.00 0.00 C ATOM 1100 CG PRO A 77 9.061 22.102 -6.855 1.00 0.00 C ATOM 1101 CD PRO A 77 8.540 21.169 -5.773 1.00 0.00 C ATOM 0 HA PRO A 77 5.842 21.843 -7.525 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.230 22.322 -8.842 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.543 23.419 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.888 21.639 -7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.443 23.023 -6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.133 20.256 -5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.585 21.638 -4.790 1.00 0.00 H new ATOM 1109 N LYS A 78 6.592 20.623 -9.760 1.00 0.00 N ATOM 1110 CA LYS A 78 6.513 19.646 -10.833 1.00 0.00 C ATOM 1111 C LYS A 78 7.830 18.870 -10.908 1.00 0.00 C ATOM 1112 O LYS A 78 7.896 17.711 -10.501 1.00 0.00 O ATOM 1113 CB LYS A 78 6.124 20.325 -12.148 1.00 0.00 C ATOM 1114 CG LYS A 78 4.663 20.037 -12.502 1.00 0.00 C ATOM 1115 CD LYS A 78 4.565 18.967 -13.591 1.00 0.00 C ATOM 1116 CE LYS A 78 4.359 17.579 -12.980 1.00 0.00 C ATOM 1117 NZ LYS A 78 3.756 16.660 -13.971 1.00 0.00 N ATOM 0 H LYS A 78 6.503 21.594 -10.060 1.00 0.00 H new ATOM 0 HA LYS A 78 5.725 18.920 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.277 21.401 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.773 19.972 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.128 19.706 -11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.180 20.953 -12.842 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.737 19.200 -14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.473 18.972 -14.193 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.314 17.180 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.714 17.653 -12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.623 15.723 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.835 17.034 -14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.386 16.576 -14.795 1.00 0.00 H new ATOM 1131 N HIS A 79 8.846 19.541 -11.432 1.00 0.00 N ATOM 1132 CA HIS A 79 10.157 18.928 -11.566 1.00 0.00 C ATOM 1133 C HIS A 79 10.696 18.562 -10.182 1.00 0.00 C ATOM 1134 O HIS A 79 10.573 17.419 -9.746 1.00 0.00 O ATOM 1135 CB HIS A 79 11.104 19.839 -12.349 1.00 0.00 C ATOM 1136 CG HIS A 79 11.624 19.228 -13.629 1.00 0.00 C ATOM 1137 ND1 HIS A 79 12.112 19.988 -14.678 1.00 0.00 N ATOM 1138 CD2 HIS A 79 11.729 17.925 -14.016 1.00 0.00 C ATOM 1139 CE1 HIS A 79 12.490 19.168 -15.648 1.00 0.00 C ATOM 1140 NE2 HIS A 79 12.251 17.890 -15.236 1.00 0.00 N ATOM 0 H HIS A 79 8.788 20.502 -11.768 1.00 0.00 H new ATOM 0 HA HIS A 79 10.075 18.006 -12.141 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.585 20.768 -12.586 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.950 20.100 -11.713 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.437 17.067 -13.429 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.913 19.460 -16.598 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.442 17.046 -15.776 1.00 0.00 H new ATOM 1148 N GLU A 80 11.282 19.555 -9.529 1.00 0.00 N ATOM 1149 CA GLU A 80 11.840 19.352 -8.203 1.00 0.00 C ATOM 1150 C GLU A 80 13.234 18.730 -8.304 1.00 0.00 C ATOM 1151 O GLU A 80 13.509 17.959 -9.222 1.00 0.00 O ATOM 1152 CB GLU A 80 10.915 18.488 -7.344 1.00 0.00 C ATOM 1153 CG GLU A 80 11.463 17.066 -7.209 1.00 0.00 C ATOM 1154 CD GLU A 80 10.357 16.088 -6.807 1.00 0.00 C ATOM 1155 OE1 GLU A 80 10.086 16.006 -5.589 1.00 0.00 O ATOM 1156 OE2 GLU A 80 9.807 15.444 -7.726 1.00 0.00 O ATOM 0 H GLU A 80 11.382 20.502 -9.894 1.00 0.00 H new ATOM 0 HA GLU A 80 11.931 20.323 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.807 18.935 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.921 18.458 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.905 16.752 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.258 17.048 -6.463 1.00 0.00 H new ATOM 1163 N HIS A 81 14.078 19.088 -7.346 1.00 0.00 N ATOM 1164 CA HIS A 81 15.437 18.575 -7.316 1.00 0.00 C ATOM 1165 C HIS A 81 15.830 18.249 -5.874 1.00 0.00 C ATOM 1166 O HIS A 81 16.752 18.853 -5.327 1.00 0.00 O ATOM 1167 CB HIS A 81 16.403 19.553 -7.988 1.00 0.00 C ATOM 1168 CG HIS A 81 16.238 19.647 -9.486 1.00 0.00 C ATOM 1169 ND1 HIS A 81 17.117 19.053 -10.375 1.00 0.00 N ATOM 1170 CD2 HIS A 81 15.288 20.270 -10.241 1.00 0.00 C ATOM 1171 CE1 HIS A 81 16.705 19.314 -11.607 1.00 0.00 C ATOM 1172 NE2 HIS A 81 15.572 20.069 -11.522 1.00 0.00 N ATOM 0 H HIS A 81 13.846 19.727 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 81 15.493 17.650 -7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.262 20.543 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.426 19.250 -7.764 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.447 20.832 -9.861 1.00 0.00 H new ATOM 0 HE1 HIS A 81 17.182 18.986 -12.519 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.032 20.421 -12.313 1.00 0.00 H new ATOM 1180 N LYS A 82 15.112 17.296 -5.299 1.00 0.00 N ATOM 1181 CA LYS A 82 15.375 16.883 -3.931 1.00 0.00 C ATOM 1182 C LYS A 82 15.264 18.097 -3.006 1.00 0.00 C ATOM 1183 O LYS A 82 16.211 18.428 -2.295 1.00 0.00 O ATOM 1184 CB LYS A 82 16.720 16.160 -3.838 1.00 0.00 C ATOM 1185 CG LYS A 82 16.629 14.949 -2.907 1.00 0.00 C ATOM 1186 CD LYS A 82 17.094 13.676 -3.616 1.00 0.00 C ATOM 1187 CE LYS A 82 15.942 13.023 -4.383 1.00 0.00 C ATOM 1188 NZ LYS A 82 16.452 11.967 -5.285 1.00 0.00 N ATOM 0 H LYS A 82 14.348 16.798 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 82 14.628 16.161 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.033 15.837 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.482 16.848 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.241 15.120 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.601 14.825 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.905 13.914 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.493 12.973 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.226 12.595 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.409 13.777 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.657 11.535 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.117 12.384 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.940 11.239 -4.726 1.00 0.00 H new ATOM 1202 N SER A 83 14.099 18.727 -3.047 1.00 0.00 N ATOM 1203 CA SER A 83 13.853 19.897 -2.221 1.00 0.00 C ATOM 1204 C SER A 83 13.559 19.470 -0.782 1.00 0.00 C ATOM 1205 O SER A 83 12.743 18.579 -0.549 1.00 0.00 O ATOM 1206 CB SER A 83 12.693 20.728 -2.776 1.00 0.00 C ATOM 1207 OG SER A 83 11.487 20.512 -2.049 1.00 0.00 O ATOM 0 H SER A 83 13.316 18.450 -3.639 1.00 0.00 H new ATOM 0 HA SER A 83 14.749 20.518 -2.232 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.954 21.786 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.535 20.475 -3.824 1.00 0.00 H new ATOM 0 HG SER A 83 10.745 20.960 -2.506 1.00 0.00 H new ATOM 1213 N ASP A 84 14.240 20.125 0.147 1.00 0.00 N ATOM 1214 CA ASP A 84 14.062 19.824 1.557 1.00 0.00 C ATOM 1215 C ASP A 84 12.595 20.033 1.938 1.00 0.00 C ATOM 1216 O ASP A 84 11.934 19.108 2.407 1.00 0.00 O ATOM 1217 CB ASP A 84 14.913 20.749 2.429 1.00 0.00 C ATOM 1218 CG ASP A 84 16.412 20.731 2.120 1.00 0.00 C ATOM 1219 OD1 ASP A 84 16.995 19.628 2.199 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.940 21.821 1.812 1.00 0.00 O ATOM 0 H ASP A 84 14.916 20.863 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 84 14.367 18.791 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.546 21.769 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.769 20.473 3.474 1.00 0.00 H new ATOM 1225 N THR A 85 12.129 21.254 1.721 1.00 0.00 N ATOM 1226 CA THR A 85 10.752 21.596 2.036 1.00 0.00 C ATOM 1227 C THR A 85 9.819 20.441 1.670 1.00 0.00 C ATOM 1228 O THR A 85 8.935 20.082 2.447 1.00 0.00 O ATOM 1229 CB THR A 85 10.414 22.903 1.315 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.218 23.349 1.950 1.00 0.00 O ATOM 1231 CG2 THR A 85 10.001 22.679 -0.141 1.00 0.00 C ATOM 0 H THR A 85 12.680 22.019 1.331 1.00 0.00 H new ATOM 0 HA THR A 85 10.618 21.754 3.106 1.00 0.00 H new ATOM 0 HB THR A 85 11.275 23.570 1.349 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.928 24.193 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.772 23.638 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.817 22.200 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.119 22.040 -0.175 1.00 0.00 H new ATOM 1239 N CYS A 86 10.046 19.890 0.486 1.00 0.00 N ATOM 1240 CA CYS A 86 9.236 18.783 0.008 1.00 0.00 C ATOM 1241 C CYS A 86 9.463 17.587 0.934 1.00 0.00 C ATOM 1242 O CYS A 86 8.548 17.158 1.635 1.00 0.00 O ATOM 1243 CB CYS A 86 9.549 18.442 -1.451 1.00 0.00 C ATOM 1244 SG CYS A 86 8.575 17.054 -2.140 1.00 0.00 S ATOM 0 H CYS A 86 10.780 20.190 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 86 8.183 19.064 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.375 19.328 -2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.609 18.200 -1.534 1.00 0.00 H new ATOM 1249 N ARG A 87 10.688 17.082 0.908 1.00 0.00 N ATOM 1250 CA ARG A 87 11.046 15.944 1.736 1.00 0.00 C ATOM 1251 C ARG A 87 10.402 16.069 3.118 1.00 0.00 C ATOM 1252 O ARG A 87 10.095 15.064 3.758 1.00 0.00 O ATOM 1253 CB ARG A 87 12.564 15.835 1.897 1.00 0.00 C ATOM 1254 CG ARG A 87 13.237 15.536 0.556 1.00 0.00 C ATOM 1255 CD ARG A 87 14.556 14.789 0.760 1.00 0.00 C ATOM 1256 NE ARG A 87 14.291 13.359 1.033 1.00 0.00 N ATOM 1257 CZ ARG A 87 13.938 12.467 0.097 1.00 0.00 C ATOM 1258 NH1 ARG A 87 13.805 12.853 -1.179 1.00 0.00 N ATOM 1259 NH2 ARG A 87 13.717 11.190 0.437 1.00 0.00 N ATOM 0 H ARG A 87 11.445 17.441 0.326 1.00 0.00 H new ATOM 0 HA ARG A 87 10.679 15.045 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.958 16.765 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.802 15.047 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.569 14.939 -0.065 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.421 16.468 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.181 14.889 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.108 15.230 1.590 1.00 0.00 H new ATOM 0 HE ARG A 87 14.383 13.031 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.972 13.825 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 87 13.536 12.175 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.817 10.896 1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.448 10.512 -0.276 1.00 0.00 H new ATOM 1273 N ALA A 88 10.215 17.312 3.538 1.00 0.00 N ATOM 1274 CA ALA A 88 9.613 17.582 4.833 1.00 0.00 C ATOM 1275 C ALA A 88 8.089 17.522 4.704 1.00 0.00 C ATOM 1276 O ALA A 88 7.437 16.723 5.375 1.00 0.00 O ATOM 1277 CB ALA A 88 10.101 18.936 5.351 1.00 0.00 C ATOM 0 H ALA A 88 10.470 18.143 3.004 1.00 0.00 H new ATOM 0 HA ALA A 88 9.913 16.828 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.649 19.138 6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.186 18.917 5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.816 19.719 4.648 1.00 0.00 H new ATOM 1283 N CYS A 89 7.567 18.377 3.837 1.00 0.00 N ATOM 1284 CA CYS A 89 6.132 18.431 3.612 1.00 0.00 C ATOM 1285 C CYS A 89 5.602 16.998 3.546 1.00 0.00 C ATOM 1286 O CYS A 89 4.505 16.715 4.026 1.00 0.00 O ATOM 1287 CB CYS A 89 5.787 19.226 2.351 1.00 0.00 C ATOM 1288 SG CYS A 89 4.017 19.654 2.174 1.00 0.00 S ATOM 0 H CYS A 89 8.111 19.038 3.282 1.00 0.00 H new ATOM 0 HA CYS A 89 5.651 18.957 4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 89 6.371 20.146 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 89 6.096 18.649 1.479 1.00 0.00 H new ATOM 1293 N MET A 90 6.405 16.131 2.947 1.00 0.00 N ATOM 1294 CA MET A 90 6.030 14.733 2.812 1.00 0.00 C ATOM 1295 C MET A 90 6.068 14.022 4.166 1.00 0.00 C ATOM 1296 O MET A 90 5.043 13.546 4.650 1.00 0.00 O ATOM 1297 CB MET A 90 6.989 14.039 1.843 1.00 0.00 C ATOM 1298 CG MET A 90 6.665 14.405 0.394 1.00 0.00 C ATOM 1299 SD MET A 90 6.896 12.984 -0.662 1.00 0.00 S ATOM 1300 CE MET A 90 5.402 12.079 -0.294 1.00 0.00 C ATOM 0 H MET A 90 7.314 16.369 2.550 1.00 0.00 H new ATOM 0 HA MET A 90 5.012 14.685 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.015 14.326 2.073 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.923 12.959 1.972 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.637 14.759 0.321 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.307 15.222 0.064 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.015 11.628 -1.208 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.620 11.296 0.433 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.657 12.759 0.118 1.00 0.00 H new ATOM 1310 N LYS A 91 7.262 13.972 4.739 1.00 0.00 N ATOM 1311 CA LYS A 91 7.447 13.327 6.028 1.00 0.00 C ATOM 1312 C LYS A 91 6.426 13.883 7.023 1.00 0.00 C ATOM 1313 O LYS A 91 6.020 13.189 7.954 1.00 0.00 O ATOM 1314 CB LYS A 91 8.898 13.466 6.493 1.00 0.00 C ATOM 1315 CG LYS A 91 8.996 13.375 8.017 1.00 0.00 C ATOM 1316 CD LYS A 91 10.455 13.291 8.469 1.00 0.00 C ATOM 1317 CE LYS A 91 10.735 14.274 9.607 1.00 0.00 C ATOM 1318 NZ LYS A 91 12.189 14.512 9.741 1.00 0.00 N ATOM 0 H LYS A 91 8.111 14.368 4.334 1.00 0.00 H new ATOM 0 HA LYS A 91 7.263 12.256 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.506 12.684 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.302 14.420 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.522 14.247 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.452 12.498 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.680 12.276 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.113 13.507 7.627 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.223 15.217 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.338 13.879 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.361 15.182 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.671 13.613 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.559 14.909 8.854 1.00 0.00 H new ATOM 1332 N THR A 92 6.040 15.129 6.792 1.00 0.00 N ATOM 1333 CA THR A 92 5.074 15.785 7.657 1.00 0.00 C ATOM 1334 C THR A 92 3.779 14.974 7.722 1.00 0.00 C ATOM 1335 O THR A 92 3.350 14.568 8.801 1.00 0.00 O ATOM 1336 CB THR A 92 4.872 17.212 7.142 1.00 0.00 C ATOM 1337 OG1 THR A 92 6.184 17.767 7.134 1.00 0.00 O ATOM 1338 CG2 THR A 92 4.102 18.088 8.132 1.00 0.00 C ATOM 0 H THR A 92 6.378 15.702 6.019 1.00 0.00 H new ATOM 0 HA THR A 92 5.436 15.842 8.683 1.00 0.00 H new ATOM 0 HB THR A 92 4.338 17.183 6.192 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.816 17.107 6.781 1.00 0.00 H new ATOM 0 HG21 THR A 92 3.986 19.090 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.119 17.654 8.313 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.652 18.145 9.071 1.00 0.00 H new ATOM 1346 N ASN A 93 3.191 14.761 6.554 1.00 0.00 N ATOM 1347 CA ASN A 93 1.954 14.005 6.465 1.00 0.00 C ATOM 1348 C ASN A 93 2.128 12.867 5.458 1.00 0.00 C ATOM 1349 O ASN A 93 1.965 11.697 5.803 1.00 0.00 O ATOM 1350 CB ASN A 93 0.801 14.890 5.984 1.00 0.00 C ATOM 1351 CG ASN A 93 1.295 15.939 4.987 1.00 0.00 C ATOM 1352 OD1 ASN A 93 1.091 15.838 3.788 1.00 0.00 O ATOM 1353 ND2 ASN A 93 1.954 16.950 5.546 1.00 0.00 N ATOM 0 H ASN A 93 3.549 15.099 5.661 1.00 0.00 H new ATOM 0 HA ASN A 93 1.723 13.619 7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.034 14.272 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.337 15.384 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.323 17.702 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.090 16.974 6.557 1.00 0.00 H new ATOM 1360 N CYS A 94 2.456 13.249 4.232 1.00 0.00 N ATOM 1361 CA CYS A 94 2.654 12.274 3.173 1.00 0.00 C ATOM 1362 C CYS A 94 3.943 11.503 3.464 1.00 0.00 C ATOM 1363 O CYS A 94 4.946 11.680 2.774 1.00 0.00 O ATOM 1364 CB CYS A 94 2.684 12.937 1.794 1.00 0.00 C ATOM 1365 SG CYS A 94 1.297 14.082 1.462 1.00 0.00 S ATOM 0 H CYS A 94 2.589 14.220 3.949 1.00 0.00 H new ATOM 0 HA CYS A 94 1.814 11.579 3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.621 13.484 1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.684 12.158 1.032 1.00 0.00 H new ATOM 1370 N LYS A 95 3.874 10.663 4.486 1.00 0.00 N ATOM 1371 CA LYS A 95 5.023 9.864 4.877 1.00 0.00 C ATOM 1372 C LYS A 95 5.726 9.341 3.623 1.00 0.00 C ATOM 1373 O LYS A 95 5.885 8.133 3.454 1.00 0.00 O ATOM 1374 CB LYS A 95 4.603 8.762 5.851 1.00 0.00 C ATOM 1375 CG LYS A 95 5.712 8.474 6.866 1.00 0.00 C ATOM 1376 CD LYS A 95 6.103 6.995 6.846 1.00 0.00 C ATOM 1377 CE LYS A 95 7.454 6.776 7.530 1.00 0.00 C ATOM 1378 NZ LYS A 95 7.821 5.343 7.505 1.00 0.00 N ATOM 0 H LYS A 95 3.040 10.518 5.055 1.00 0.00 H new ATOM 0 HA LYS A 95 5.746 10.476 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.695 9.061 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.367 7.853 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.584 9.088 6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 95 5.376 8.752 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.337 6.406 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.151 6.642 5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.222 7.363 7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.408 7.128 8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.740 5.212 7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.096 4.790 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.885 5.018 6.519 1.00 0.00 H new TER 1392 LYS A 95