USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 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 55 LYS NZ :NH3+ -155:sc= 1.63 (180deg=0.48) USER MOD Set 1.2: A 74 TYR OH : rot 80:sc= 0.783 USER MOD Set 2.1: A 52 ASN : amide:sc= 0.971 K(o=2.8,f=-1.9) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 78 THR OG1 : rot 82:sc= 1.79 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -117:sc= 0.534 (180deg=-0.852!) USER MOD Set 3.2: A 100 LYS NZ :NH3+ 173:sc= 0.417! (180deg=0.17!) USER MOD Single : A 1 GLY N :NH3+ -161:sc= -1.22! (180deg=-2.55!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00323 K(o=-0.0032,f=-0.91) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.23 (180deg=0.906) USER MOD Single : A 14 CYS SG : rot -150:sc= -0.897 USER MOD Single : A 16 GLN : amide:sc= 1.15 K(o=1.2,f=-1.1) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0215 USER MOD Single : A 18 HIS : no HE2:sc= 0.369 K(o=0.37,f=-4.6!) USER MOD Single : A 19 THR OG1 : rot -39:sc= 0.723 USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.491 USER MOD Single : A 31 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.72) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -155:sc= -0.0899 (180deg=-0.952) USER MOD Single : A 40 THR OG1 : rot -121:sc= 1.41 USER MOD Single : A 42 GLN : amide:sc= -0.229 K(o=-0.23,f=-2) USER MOD Single : A 47 THR OG1 : rot 85:sc= 0.797 USER MOD Single : A 48 TYR OH : rot -110:sc= 0.671 USER MOD Single : A 49 THR OG1 : rot 160:sc= 0.715 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00097 X(o=-0.00097,f=-0.00097) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.842) USER MOD Single : A 63 THR OG1 : rot 13:sc= 0.728 USER MOD Single : A 65 MET CE :methyl -161:sc= -0.0587 (180deg=-0.465) USER MOD Single : A 70 ASN : amide:sc= 1.09 K(o=1.1,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0291 (180deg=-0.0291) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.14) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.054 USER MOD Single : A 97 TYR OH : rot 150:sc= -0.0413 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 1.18 (180deg=0.931) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.920 10.305 4.577 1.00 0.00 N ATOM 2 CA GLY A 1 -11.119 10.752 5.701 1.00 0.00 C ATOM 3 C GLY A 1 -10.453 12.021 5.202 1.00 0.00 C ATOM 4 O GLY A 1 -11.037 12.651 4.321 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.649 9.643 4.912 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.377 11.125 4.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.309 9.827 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.736 10.945 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.382 10.002 5.988 1.00 0.00 H new ATOM 10 N ASP A 2 -9.285 12.368 5.725 1.00 0.00 N ATOM 11 CA ASP A 2 -8.591 13.600 5.380 1.00 0.00 C ATOM 12 C ASP A 2 -7.500 13.282 4.359 1.00 0.00 C ATOM 13 O ASP A 2 -7.792 12.824 3.258 1.00 0.00 O ATOM 14 CB ASP A 2 -8.046 14.276 6.652 1.00 0.00 C ATOM 15 CG ASP A 2 -9.139 14.684 7.631 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.109 15.320 7.170 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.970 14.355 8.826 1.00 0.00 O ATOM 0 H ASP A 2 -8.788 11.796 6.408 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.276 14.314 4.923 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.357 13.595 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.473 15.159 6.369 1.00 0.00 H new ATOM 22 N VAL A 3 -6.242 13.513 4.733 1.00 0.00 N ATOM 23 CA VAL A 3 -5.070 13.308 3.898 1.00 0.00 C ATOM 24 C VAL A 3 -3.839 13.241 4.817 1.00 0.00 C ATOM 25 O VAL A 3 -3.082 12.274 4.795 1.00 0.00 O ATOM 26 CB VAL A 3 -5.025 14.393 2.796 1.00 0.00 C ATOM 27 CG1 VAL A 3 -4.685 15.802 3.302 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.075 13.992 1.669 1.00 0.00 C ATOM 0 H VAL A 3 -6.008 13.861 5.663 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.098 12.364 3.354 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.045 14.451 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.675 16.498 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.434 16.119 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.703 15.791 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.063 14.773 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.070 13.860 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.413 13.056 1.224 1.00 0.00 H new ATOM 38 N GLU A 4 -3.692 14.222 5.713 1.00 0.00 N ATOM 39 CA GLU A 4 -2.665 14.210 6.747 1.00 0.00 C ATOM 40 C GLU A 4 -2.935 13.071 7.726 1.00 0.00 C ATOM 41 O GLU A 4 -2.042 12.282 8.029 1.00 0.00 O ATOM 42 CB GLU A 4 -2.623 15.557 7.478 1.00 0.00 C ATOM 43 CG GLU A 4 -1.955 16.652 6.634 1.00 0.00 C ATOM 44 CD GLU A 4 -0.475 16.365 6.412 1.00 0.00 C ATOM 45 OE1 GLU A 4 0.317 16.453 7.370 1.00 0.00 O ATOM 46 OE2 GLU A 4 -0.072 15.988 5.289 1.00 0.00 O ATOM 0 H GLU A 4 -4.288 15.049 5.737 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.692 14.050 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.638 15.863 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.081 15.443 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.460 16.729 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.069 17.615 7.131 1.00 0.00 H new ATOM 53 N LYS A 5 -4.180 12.962 8.201 1.00 0.00 N ATOM 54 CA LYS A 5 -4.557 11.850 9.059 1.00 0.00 C ATOM 55 C LYS A 5 -4.221 10.522 8.392 1.00 0.00 C ATOM 56 O LYS A 5 -3.754 9.617 9.072 1.00 0.00 O ATOM 57 CB LYS A 5 -6.035 11.898 9.455 1.00 0.00 C ATOM 58 CG LYS A 5 -6.320 13.102 10.363 1.00 0.00 C ATOM 59 CD LYS A 5 -7.474 12.772 11.316 1.00 0.00 C ATOM 60 CE LYS A 5 -7.665 13.917 12.319 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.701 13.600 13.320 1.00 0.00 N ATOM 0 H LYS A 5 -4.931 13.624 8.005 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.977 11.940 9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.654 11.958 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.308 10.977 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.427 13.358 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.573 13.973 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.392 12.616 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.265 11.843 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.721 14.119 12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.941 14.826 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.801 14.397 13.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.608 13.432 12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.425 12.747 13.847 1.00 0.00 H new ATOM 75 N GLY A 6 -4.395 10.423 7.071 1.00 0.00 N ATOM 76 CA GLY A 6 -4.057 9.198 6.365 1.00 0.00 C ATOM 77 C GLY A 6 -2.584 8.872 6.571 1.00 0.00 C ATOM 78 O GLY A 6 -2.244 7.744 6.916 1.00 0.00 O ATOM 0 H GLY A 6 -4.763 11.169 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.675 8.376 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.269 9.310 5.302 1.00 0.00 H new ATOM 82 N LYS A 7 -1.710 9.866 6.402 1.00 0.00 N ATOM 83 CA LYS A 7 -0.277 9.682 6.563 1.00 0.00 C ATOM 84 C LYS A 7 0.100 9.357 7.999 1.00 0.00 C ATOM 85 O LYS A 7 0.967 8.520 8.250 1.00 0.00 O ATOM 86 CB LYS A 7 0.495 10.835 5.911 1.00 0.00 C ATOM 87 CG LYS A 7 1.137 11.838 6.858 1.00 0.00 C ATOM 88 CD LYS A 7 1.555 13.055 6.023 1.00 0.00 C ATOM 89 CE LYS A 7 2.345 14.076 6.846 1.00 0.00 C ATOM 90 NZ LYS A 7 2.454 15.359 6.124 1.00 0.00 N ATOM 0 H LYS A 7 -1.980 10.817 6.150 1.00 0.00 H new ATOM 0 HA LYS A 7 0.036 8.793 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.277 10.410 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.187 11.374 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.436 12.131 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.002 11.398 7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.161 12.724 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.667 13.533 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.854 14.234 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.341 13.687 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.454 15.558 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.923 15.301 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.062 16.122 6.711 1.00 0.00 H new ATOM 104 N LYS A 8 -0.582 9.997 8.944 1.00 0.00 N ATOM 105 CA LYS A 8 -0.287 9.828 10.351 1.00 0.00 C ATOM 106 C LYS A 8 -0.605 8.388 10.741 1.00 0.00 C ATOM 107 O LYS A 8 0.205 7.704 11.367 1.00 0.00 O ATOM 108 CB LYS A 8 -1.107 10.842 11.163 1.00 0.00 C ATOM 109 CG LYS A 8 -0.712 10.926 12.645 1.00 0.00 C ATOM 110 CD LYS A 8 0.660 11.588 12.868 1.00 0.00 C ATOM 111 CE LYS A 8 1.773 10.568 13.164 1.00 0.00 C ATOM 112 NZ LYS A 8 3.089 11.223 13.326 1.00 0.00 N ATOM 0 H LYS A 8 -1.349 10.642 8.751 1.00 0.00 H new ATOM 0 HA LYS A 8 0.766 10.014 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.995 11.828 10.712 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.162 10.578 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.473 11.489 13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.697 9.922 13.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.928 12.165 11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.588 12.292 13.697 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.528 10.015 14.071 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.826 9.842 12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.813 10.503 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.335 11.730 12.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.046 11.898 14.116 1.00 0.00 H new ATOM 126 N ILE A 9 -1.801 7.945 10.361 1.00 0.00 N ATOM 127 CA ILE A 9 -2.348 6.660 10.727 1.00 0.00 C ATOM 128 C ILE A 9 -1.583 5.571 9.984 1.00 0.00 C ATOM 129 O ILE A 9 -1.163 4.591 10.595 1.00 0.00 O ATOM 130 CB ILE A 9 -3.845 6.677 10.404 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.597 7.528 11.444 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.375 5.246 10.427 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.019 7.895 11.001 1.00 0.00 C ATOM 0 H ILE A 9 -2.428 8.494 9.772 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.240 6.451 11.791 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.000 7.111 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.645 6.982 12.386 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.034 8.442 11.634 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.441 5.249 10.198 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.846 4.650 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.218 4.816 11.416 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.498 8.495 11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.975 8.467 10.074 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.596 6.985 10.838 1.00 0.00 H new ATOM 145 N PHE A 10 -1.379 5.752 8.678 1.00 0.00 N ATOM 146 CA PHE A 10 -0.468 4.940 7.898 1.00 0.00 C ATOM 147 C PHE A 10 0.833 4.729 8.661 1.00 0.00 C ATOM 148 O PHE A 10 1.113 3.613 9.081 1.00 0.00 O ATOM 149 CB PHE A 10 -0.214 5.641 6.563 1.00 0.00 C ATOM 150 CG PHE A 10 0.945 5.107 5.766 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.833 3.926 5.025 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.195 5.718 5.905 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.959 3.388 4.391 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.334 5.143 5.350 1.00 0.00 C ATOM 155 CZ PHE A 10 3.206 4.012 4.527 1.00 0.00 C ATOM 0 H PHE A 10 -1.850 6.476 8.135 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.904 3.959 7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.116 5.567 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.044 6.701 6.754 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.122 3.429 4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.277 6.647 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.866 2.491 3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.309 5.563 5.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.066 3.625 4.001 1.00 0.00 H new ATOM 165 N VAL A 11 1.620 5.784 8.889 1.00 0.00 N ATOM 166 CA VAL A 11 2.891 5.653 9.567 1.00 0.00 C ATOM 167 C VAL A 11 2.722 4.912 10.904 1.00 0.00 C ATOM 168 O VAL A 11 3.559 4.084 11.253 1.00 0.00 O ATOM 169 CB VAL A 11 3.572 7.032 9.681 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.647 7.027 10.764 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.213 7.506 8.367 1.00 0.00 C ATOM 0 H VAL A 11 1.389 6.737 8.609 1.00 0.00 H new ATOM 0 HA VAL A 11 3.567 5.031 8.980 1.00 0.00 H new ATOM 0 HB VAL A 11 2.772 7.725 9.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.110 8.012 10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.194 6.782 11.725 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.406 6.283 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.674 8.482 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.973 6.790 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.447 7.582 7.595 1.00 0.00 H new ATOM 181 N GLN A 12 1.629 5.166 11.630 1.00 0.00 N ATOM 182 CA GLN A 12 1.341 4.491 12.887 1.00 0.00 C ATOM 183 C GLN A 12 1.379 2.957 12.775 1.00 0.00 C ATOM 184 O GLN A 12 1.764 2.313 13.750 1.00 0.00 O ATOM 185 CB GLN A 12 -0.008 4.970 13.445 1.00 0.00 C ATOM 186 CG GLN A 12 -0.064 4.913 14.975 1.00 0.00 C ATOM 187 CD GLN A 12 -1.456 5.259 15.502 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.465 5.015 14.844 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.528 5.826 16.703 1.00 0.00 N ATOM 0 H GLN A 12 0.921 5.848 11.357 1.00 0.00 H new ATOM 0 HA GLN A 12 2.136 4.760 13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.191 5.993 13.116 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.807 4.355 13.032 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.215 3.915 15.313 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.666 5.607 15.392 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.675 6.018 17.228 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.436 6.069 17.099 1.00 0.00 H new ATOM 198 N LYS A 13 0.952 2.364 11.646 1.00 0.00 N ATOM 199 CA LYS A 13 0.833 0.904 11.522 1.00 0.00 C ATOM 200 C LYS A 13 1.417 0.269 10.250 1.00 0.00 C ATOM 201 O LYS A 13 1.421 -0.957 10.138 1.00 0.00 O ATOM 202 CB LYS A 13 -0.616 0.468 11.739 1.00 0.00 C ATOM 203 CG LYS A 13 -1.586 1.072 10.723 1.00 0.00 C ATOM 204 CD LYS A 13 -2.558 2.022 11.425 1.00 0.00 C ATOM 205 CE LYS A 13 -3.583 1.289 12.304 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.601 2.212 12.851 1.00 0.00 N ATOM 0 H LYS A 13 0.684 2.876 10.806 1.00 0.00 H new ATOM 0 HA LYS A 13 1.474 0.516 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.673 -0.619 11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.928 0.754 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.031 1.610 9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.140 0.279 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.993 2.721 12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.086 2.612 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.075 0.513 11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.067 0.790 13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.180 1.712 13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.129 3.022 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.211 2.552 12.080 1.00 0.00 H new ATOM 220 N CYS A 14 1.895 1.063 9.295 1.00 0.00 N ATOM 221 CA CYS A 14 2.308 0.603 7.974 1.00 0.00 C ATOM 222 C CYS A 14 3.813 0.855 7.806 1.00 0.00 C ATOM 223 O CYS A 14 4.516 0.019 7.252 1.00 0.00 O ATOM 224 CB CYS A 14 1.545 1.314 6.880 1.00 0.00 C ATOM 225 SG CYS A 14 -0.281 1.391 6.995 1.00 0.00 S ATOM 0 H CYS A 14 2.008 2.069 9.423 1.00 0.00 H new ATOM 0 HA CYS A 14 2.092 -0.462 7.893 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.917 2.337 6.828 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.797 0.834 5.934 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.790 1.430 5.799 1.00 0.00 H new ATOM 230 N ALA A 15 4.323 1.994 8.297 1.00 0.00 N ATOM 231 CA ALA A 15 5.720 2.418 8.147 1.00 0.00 C ATOM 232 C ALA A 15 6.749 1.415 8.647 1.00 0.00 C ATOM 233 O ALA A 15 7.869 1.402 8.133 1.00 0.00 O ATOM 234 CB ALA A 15 5.957 3.733 8.865 1.00 0.00 C ATOM 0 H ALA A 15 3.759 2.662 8.823 1.00 0.00 H new ATOM 0 HA ALA A 15 5.862 2.515 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.998 4.032 8.743 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.308 4.500 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.736 3.613 9.926 1.00 0.00 H new ATOM 240 N GLN A 16 6.377 0.602 9.640 1.00 0.00 N ATOM 241 CA GLN A 16 7.163 -0.535 10.091 1.00 0.00 C ATOM 242 C GLN A 16 7.695 -1.353 8.905 1.00 0.00 C ATOM 243 O GLN A 16 8.813 -1.864 8.957 1.00 0.00 O ATOM 244 CB GLN A 16 6.326 -1.389 11.058 1.00 0.00 C ATOM 245 CG GLN A 16 4.939 -1.812 10.538 1.00 0.00 C ATOM 246 CD GLN A 16 4.266 -2.841 11.449 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.929 -3.565 12.185 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.940 -2.923 11.418 1.00 0.00 N ATOM 0 H GLN A 16 5.506 0.723 10.157 1.00 0.00 H new ATOM 0 HA GLN A 16 8.039 -0.172 10.629 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.892 -2.287 11.305 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.193 -0.832 11.985 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.301 -0.932 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.041 -2.229 9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.406 -2.313 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.457 -3.596 12.013 1.00 0.00 H new ATOM 257 N CYS A 17 6.881 -1.460 7.852 1.00 0.00 N ATOM 258 CA CYS A 17 7.160 -2.166 6.618 1.00 0.00 C ATOM 259 C CYS A 17 7.380 -1.174 5.453 1.00 0.00 C ATOM 260 O CYS A 17 8.108 -1.494 4.516 1.00 0.00 O ATOM 261 CB CYS A 17 6.017 -3.119 6.353 1.00 0.00 C ATOM 262 SG CYS A 17 5.820 -4.360 7.687 1.00 0.00 S ATOM 0 H CYS A 17 5.957 -1.027 7.847 1.00 0.00 H new ATOM 0 HA CYS A 17 8.084 -2.737 6.706 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.092 -2.552 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.186 -3.631 5.406 1.00 0.00 H new ATOM 0 HG CYS A 17 4.824 -5.146 7.405 1.00 0.00 H new ATOM 267 N HIS A 18 6.775 0.027 5.494 1.00 0.00 N ATOM 268 CA HIS A 18 6.711 0.958 4.362 1.00 0.00 C ATOM 269 C HIS A 18 7.060 2.394 4.747 1.00 0.00 C ATOM 270 O HIS A 18 6.177 3.239 4.856 1.00 0.00 O ATOM 271 CB HIS A 18 5.280 0.983 3.825 1.00 0.00 C ATOM 272 CG HIS A 18 4.834 -0.300 3.217 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.122 -0.699 1.938 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.808 -1.068 3.690 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.281 -1.699 1.648 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.472 -1.974 2.680 1.00 0.00 N ATOM 0 H HIS A 18 6.310 0.380 6.331 1.00 0.00 H new ATOM 0 HA HIS A 18 7.436 0.606 3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.603 1.241 4.639 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.198 1.774 3.079 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.839 -0.309 1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.344 -0.990 4.662 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.257 -2.219 0.702 1.00 0.00 H new ATOM 284 N THR A 19 8.327 2.738 4.928 1.00 0.00 N ATOM 285 CA THR A 19 8.674 4.066 5.420 1.00 0.00 C ATOM 286 C THR A 19 8.660 5.150 4.310 1.00 0.00 C ATOM 287 O THR A 19 9.644 5.864 4.127 1.00 0.00 O ATOM 288 CB THR A 19 10.011 3.923 6.154 1.00 0.00 C ATOM 289 OG1 THR A 19 10.061 2.690 6.858 1.00 0.00 O ATOM 290 CG2 THR A 19 10.296 5.072 7.127 1.00 0.00 C ATOM 0 H THR A 19 9.123 2.127 4.745 1.00 0.00 H new ATOM 0 HA THR A 19 7.918 4.435 6.113 1.00 0.00 H new ATOM 0 HB THR A 19 10.782 3.952 5.384 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.184 2.504 7.255 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.258 4.908 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.322 6.014 6.580 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.511 5.113 7.882 1.00 0.00 H new ATOM 298 N VAL A 20 7.538 5.312 3.589 1.00 0.00 N ATOM 299 CA VAL A 20 7.345 6.271 2.504 1.00 0.00 C ATOM 300 C VAL A 20 7.225 7.708 3.028 1.00 0.00 C ATOM 301 O VAL A 20 6.208 8.372 2.857 1.00 0.00 O ATOM 302 CB VAL A 20 6.144 5.832 1.642 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.798 5.979 2.356 1.00 0.00 C ATOM 304 CG2 VAL A 20 6.101 6.590 0.310 1.00 0.00 C ATOM 0 H VAL A 20 6.705 4.748 3.760 1.00 0.00 H new ATOM 0 HA VAL A 20 8.228 6.277 1.864 1.00 0.00 H new ATOM 0 HB VAL A 20 6.300 4.770 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.997 5.653 1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.795 5.366 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.642 7.023 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.242 6.255 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.014 7.659 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.016 6.395 -0.249 1.00 0.00 H new ATOM 426 N THR A 28 10.443 -5.824 3.994 1.00 0.00 N ATOM 427 CA THR A 28 9.146 -6.437 4.239 1.00 0.00 C ATOM 428 C THR A 28 8.023 -5.552 3.687 1.00 0.00 C ATOM 429 O THR A 28 6.902 -5.630 4.161 1.00 0.00 O ATOM 430 CB THR A 28 8.976 -6.738 5.747 1.00 0.00 C ATOM 431 OG1 THR A 28 10.221 -7.133 6.302 1.00 0.00 O ATOM 432 CG2 THR A 28 7.978 -7.874 6.004 1.00 0.00 C ATOM 0 HA THR A 28 9.088 -7.389 3.711 1.00 0.00 H new ATOM 0 HB THR A 28 8.603 -5.824 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.951 -6.748 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.893 -8.048 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.003 -7.599 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.328 -8.783 5.516 1.00 0.00 H new ATOM 440 N GLY A 29 8.317 -4.749 2.663 1.00 0.00 N ATOM 441 CA GLY A 29 7.416 -3.762 2.098 1.00 0.00 C ATOM 442 C GLY A 29 8.290 -2.844 1.246 1.00 0.00 C ATOM 443 O GLY A 29 9.382 -2.496 1.701 1.00 0.00 O ATOM 0 H GLY A 29 9.222 -4.775 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.643 -4.238 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.908 -3.201 2.883 1.00 0.00 H new ATOM 447 N PRO A 30 7.913 -2.497 0.002 1.00 0.00 N ATOM 448 CA PRO A 30 8.634 -1.487 -0.742 1.00 0.00 C ATOM 449 C PRO A 30 8.290 -0.112 -0.171 1.00 0.00 C ATOM 450 O PRO A 30 7.169 0.121 0.278 1.00 0.00 O ATOM 451 CB PRO A 30 8.174 -1.591 -2.204 1.00 0.00 C ATOM 452 CG PRO A 30 7.126 -2.702 -2.230 1.00 0.00 C ATOM 453 CD PRO A 30 6.767 -2.946 -0.764 1.00 0.00 C ATOM 0 HA PRO A 30 9.713 -1.628 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.753 -0.647 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 30 9.011 -1.827 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.250 -2.404 -2.806 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.521 -3.605 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.869 -2.395 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.563 -4.001 -0.581 1.00 0.00 H new ATOM 461 N ASN A 31 9.228 0.831 -0.239 1.00 0.00 N ATOM 462 CA ASN A 31 8.876 2.234 -0.101 1.00 0.00 C ATOM 463 C ASN A 31 7.856 2.578 -1.191 1.00 0.00 C ATOM 464 O ASN A 31 8.149 2.379 -2.367 1.00 0.00 O ATOM 465 CB ASN A 31 10.140 3.086 -0.244 1.00 0.00 C ATOM 466 CG ASN A 31 9.873 4.537 0.134 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.271 4.978 1.203 1.00 0.00 O ATOM 468 ND2 ASN A 31 9.197 5.301 -0.719 1.00 0.00 N ATOM 0 H ASN A 31 10.221 0.649 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 31 8.439 2.435 0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.928 2.681 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.501 3.036 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.001 6.275 -0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.874 4.913 -1.605 1.00 0.00 H new ATOM 475 N LEU A 32 6.677 3.085 -0.816 1.00 0.00 N ATOM 476 CA LEU A 32 5.533 3.328 -1.698 1.00 0.00 C ATOM 477 C LEU A 32 5.764 4.518 -2.656 1.00 0.00 C ATOM 478 O LEU A 32 4.950 5.439 -2.735 1.00 0.00 O ATOM 479 CB LEU A 32 4.292 3.562 -0.815 1.00 0.00 C ATOM 480 CG LEU A 32 3.895 2.422 0.135 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.561 2.761 0.809 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.734 1.077 -0.569 1.00 0.00 C ATOM 0 H LEU A 32 6.487 3.348 0.151 1.00 0.00 H new ATOM 0 HA LEU A 32 5.389 2.457 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.463 4.458 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.445 3.771 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 32 4.706 2.329 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.278 1.953 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.664 3.687 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.790 2.885 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.453 0.316 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.957 1.155 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.676 0.798 -1.040 1.00 0.00 H new ATOM 494 N HIS A 33 6.874 4.520 -3.398 1.00 0.00 N ATOM 495 CA HIS A 33 7.338 5.667 -4.165 1.00 0.00 C ATOM 496 C HIS A 33 6.608 5.758 -5.510 1.00 0.00 C ATOM 497 O HIS A 33 7.205 5.552 -6.565 1.00 0.00 O ATOM 498 CB HIS A 33 8.868 5.601 -4.318 1.00 0.00 C ATOM 499 CG HIS A 33 9.499 6.963 -4.460 1.00 0.00 C ATOM 500 ND1 HIS A 33 9.823 7.810 -3.422 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.835 7.592 -5.629 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.347 8.925 -3.960 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.379 8.837 -5.299 1.00 0.00 N ATOM 0 H HIS A 33 7.484 3.706 -3.481 1.00 0.00 H new ATOM 0 HA HIS A 33 7.101 6.586 -3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.294 5.097 -3.451 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.116 4.998 -5.191 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.704 7.198 -6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.695 9.775 -3.392 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.731 9.540 -5.948 1.00 0.00 H new ATOM 511 N GLY A 34 5.314 6.082 -5.471 1.00 0.00 N ATOM 512 CA GLY A 34 4.536 6.362 -6.674 1.00 0.00 C ATOM 513 C GLY A 34 3.662 5.180 -7.086 1.00 0.00 C ATOM 514 O GLY A 34 3.821 4.658 -8.183 1.00 0.00 O ATOM 0 H GLY A 34 4.779 6.157 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.906 7.235 -6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.212 6.613 -7.491 1.00 0.00 H new ATOM 518 N LEU A 35 2.725 4.777 -6.219 1.00 0.00 N ATOM 519 CA LEU A 35 1.768 3.702 -6.465 1.00 0.00 C ATOM 520 C LEU A 35 0.898 3.939 -7.700 1.00 0.00 C ATOM 521 O LEU A 35 0.960 3.189 -8.671 1.00 0.00 O ATOM 522 CB LEU A 35 0.855 3.516 -5.232 1.00 0.00 C ATOM 523 CG LEU A 35 1.139 2.212 -4.486 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.109 1.017 -5.436 1.00 0.00 C ATOM 525 CD2 LEU A 35 2.467 2.319 -3.746 1.00 0.00 C ATOM 0 H LEU A 35 2.612 5.206 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 35 2.356 2.803 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.992 4.357 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.187 3.529 -5.550 1.00 0.00 H new ATOM 0 HG LEU A 35 0.353 2.046 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.314 0.103 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.125 0.946 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.866 1.148 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.664 1.387 -3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.268 2.506 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.420 3.140 -3.031 1.00 0.00 H new ATOM 537 N PHE A 36 0.018 4.937 -7.621 1.00 0.00 N ATOM 538 CA PHE A 36 -0.999 5.209 -8.621 1.00 0.00 C ATOM 539 C PHE A 36 -0.371 5.332 -10.006 1.00 0.00 C ATOM 540 O PHE A 36 0.421 6.244 -10.234 1.00 0.00 O ATOM 541 CB PHE A 36 -1.756 6.478 -8.207 1.00 0.00 C ATOM 542 CG PHE A 36 -2.556 6.276 -6.939 1.00 0.00 C ATOM 543 CD1 PHE A 36 -3.723 5.500 -6.996 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.082 6.723 -5.690 1.00 0.00 C ATOM 545 CE1 PHE A 36 -4.460 5.261 -5.830 1.00 0.00 C ATOM 546 CE2 PHE A 36 -2.787 6.404 -4.515 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.018 5.736 -4.594 1.00 0.00 C ATOM 0 H PHE A 36 -0.003 5.591 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.708 4.383 -8.679 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.046 7.292 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.425 6.780 -9.013 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.053 5.087 -7.938 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.177 7.311 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.382 4.702 -5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.380 6.674 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.618 5.591 -3.708 1.00 0.00 H new ATOM 557 N GLY A 37 -0.711 4.416 -10.921 1.00 0.00 N ATOM 558 CA GLY A 37 -0.143 4.427 -12.269 1.00 0.00 C ATOM 559 C GLY A 37 1.054 3.477 -12.445 1.00 0.00 C ATOM 560 O GLY A 37 1.563 3.331 -13.556 1.00 0.00 O ATOM 0 H GLY A 37 -1.375 3.661 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.920 4.154 -12.983 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.171 5.442 -12.513 1.00 0.00 H new ATOM 564 N ARG A 38 1.526 2.827 -11.378 1.00 0.00 N ATOM 565 CA ARG A 38 2.671 1.938 -11.407 1.00 0.00 C ATOM 566 C ARG A 38 2.221 0.563 -11.879 1.00 0.00 C ATOM 567 O ARG A 38 1.323 -0.039 -11.294 1.00 0.00 O ATOM 568 CB ARG A 38 3.260 1.844 -9.995 1.00 0.00 C ATOM 569 CG ARG A 38 4.638 1.179 -9.908 1.00 0.00 C ATOM 570 CD ARG A 38 5.790 2.193 -10.001 1.00 0.00 C ATOM 571 NE ARG A 38 5.941 2.783 -11.342 1.00 0.00 N ATOM 572 CZ ARG A 38 6.756 2.314 -12.300 1.00 0.00 C ATOM 573 NH1 ARG A 38 7.306 1.101 -12.169 1.00 0.00 N ATOM 574 NH2 ARG A 38 7.012 3.054 -13.385 1.00 0.00 N ATOM 0 H ARG A 38 1.107 2.912 -10.452 1.00 0.00 H new ATOM 0 HA ARG A 38 3.430 2.319 -12.090 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.332 2.850 -9.581 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.565 1.289 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.715 0.632 -8.968 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.736 0.448 -10.711 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.622 2.991 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.721 1.701 -9.721 1.00 0.00 H new ATOM 0 HE ARG A 38 5.385 3.610 -11.559 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.105 0.537 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.926 0.741 -12.895 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.588 3.976 -13.485 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.632 2.696 -14.112 1.00 0.00 H new ATOM 588 N LYS A 39 2.885 0.045 -12.912 1.00 0.00 N ATOM 589 CA LYS A 39 2.750 -1.350 -13.289 1.00 0.00 C ATOM 590 C LYS A 39 3.125 -2.226 -12.089 1.00 0.00 C ATOM 591 O LYS A 39 4.281 -2.256 -11.667 1.00 0.00 O ATOM 592 CB LYS A 39 3.585 -1.629 -14.548 1.00 0.00 C ATOM 593 CG LYS A 39 5.089 -1.380 -14.349 1.00 0.00 C ATOM 594 CD LYS A 39 5.871 -1.221 -15.657 1.00 0.00 C ATOM 595 CE LYS A 39 5.803 0.170 -16.315 1.00 0.00 C ATOM 596 NZ LYS A 39 4.584 0.393 -17.122 1.00 0.00 N ATOM 0 H LYS A 39 3.524 0.579 -13.502 1.00 0.00 H new ATOM 0 HA LYS A 39 1.720 -1.593 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.433 -2.664 -14.854 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.224 -0.999 -15.361 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.222 -0.481 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.513 -2.209 -13.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.917 -1.460 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.502 -1.958 -16.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.856 0.932 -15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.678 0.303 -16.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.774 1.115 -17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.306 -0.496 -17.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.813 0.717 -16.504 1.00 0.00 H new ATOM 610 N THR A 40 2.127 -2.881 -11.501 1.00 0.00 N ATOM 611 CA THR A 40 2.270 -3.764 -10.378 1.00 0.00 C ATOM 612 C THR A 40 2.919 -5.066 -10.845 1.00 0.00 C ATOM 613 O THR A 40 3.065 -5.308 -12.042 1.00 0.00 O ATOM 614 CB THR A 40 0.847 -4.008 -9.872 1.00 0.00 C ATOM 615 OG1 THR A 40 0.176 -2.777 -9.655 1.00 0.00 O ATOM 616 CG2 THR A 40 0.813 -4.829 -8.592 1.00 0.00 C ATOM 0 H THR A 40 1.161 -2.798 -11.818 1.00 0.00 H new ATOM 0 HA THR A 40 2.900 -3.351 -9.590 1.00 0.00 H new ATOM 0 HB THR A 40 0.338 -4.579 -10.649 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.111 -2.721 -8.720 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.221 -4.971 -8.278 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.275 -5.800 -8.770 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.361 -4.305 -7.809 1.00 0.00 H new ATOM 624 N GLY A 41 3.256 -5.934 -9.895 1.00 0.00 N ATOM 625 CA GLY A 41 3.660 -7.290 -10.204 1.00 0.00 C ATOM 626 C GLY A 41 5.149 -7.343 -10.535 1.00 0.00 C ATOM 627 O GLY A 41 5.590 -8.196 -11.300 1.00 0.00 O ATOM 0 H GLY A 41 3.255 -5.714 -8.899 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.447 -7.941 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.081 -7.665 -11.048 1.00 0.00 H new ATOM 631 N GLN A 42 5.924 -6.406 -9.973 1.00 0.00 N ATOM 632 CA GLN A 42 7.314 -6.189 -10.327 1.00 0.00 C ATOM 633 C GLN A 42 7.990 -5.379 -9.218 1.00 0.00 C ATOM 634 O GLN A 42 8.725 -5.960 -8.429 1.00 0.00 O ATOM 635 CB GLN A 42 7.386 -5.537 -11.721 1.00 0.00 C ATOM 636 CG GLN A 42 8.791 -5.583 -12.334 1.00 0.00 C ATOM 637 CD GLN A 42 9.727 -4.474 -11.857 1.00 0.00 C ATOM 638 OE1 GLN A 42 9.290 -3.384 -11.496 1.00 0.00 O ATOM 639 NE2 GLN A 42 11.030 -4.734 -11.877 1.00 0.00 N ATOM 0 H GLN A 42 5.587 -5.772 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 42 7.863 -7.128 -10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.688 -6.042 -12.389 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.062 -4.499 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.243 -6.547 -12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.702 -5.525 -13.419 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.363 -5.649 -12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.697 -4.019 -11.588 1.00 0.00 H new ATOM 648 N ALA A 43 7.681 -4.078 -9.135 1.00 0.00 N ATOM 649 CA ALA A 43 8.291 -3.062 -8.285 1.00 0.00 C ATOM 650 C ALA A 43 9.789 -2.803 -8.549 1.00 0.00 C ATOM 651 O ALA A 43 10.604 -3.728 -8.551 1.00 0.00 O ATOM 652 CB ALA A 43 7.992 -3.341 -6.822 1.00 0.00 C ATOM 0 H ALA A 43 6.937 -3.683 -9.710 1.00 0.00 H new ATOM 0 HA ALA A 43 7.820 -2.119 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.455 -2.573 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.914 -3.334 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.392 -4.317 -6.549 1.00 0.00 H new ATOM 658 N PRO A 44 10.183 -1.533 -8.759 1.00 0.00 N ATOM 659 CA PRO A 44 11.544 -1.167 -9.121 1.00 0.00 C ATOM 660 C PRO A 44 12.474 -1.190 -7.901 1.00 0.00 C ATOM 661 O PRO A 44 12.921 -0.142 -7.440 1.00 0.00 O ATOM 662 CB PRO A 44 11.418 0.236 -9.734 1.00 0.00 C ATOM 663 CG PRO A 44 10.258 0.845 -8.948 1.00 0.00 C ATOM 664 CD PRO A 44 9.328 -0.353 -8.764 1.00 0.00 C ATOM 0 HA PRO A 44 11.991 -1.871 -9.823 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.335 0.813 -9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.205 0.193 -10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.585 1.257 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.776 1.654 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.769 -0.273 -7.831 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.596 -0.406 -9.570 1.00 0.00 H new ATOM 672 N GLY A 45 12.802 -2.381 -7.392 1.00 0.00 N ATOM 673 CA GLY A 45 13.836 -2.513 -6.367 1.00 0.00 C ATOM 674 C GLY A 45 13.761 -3.848 -5.636 1.00 0.00 C ATOM 675 O GLY A 45 14.773 -4.512 -5.432 1.00 0.00 O ATOM 0 H GLY A 45 12.369 -3.261 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.818 -2.409 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.736 -1.701 -5.647 1.00 0.00 H new ATOM 679 N PHE A 46 12.553 -4.227 -5.226 1.00 0.00 N ATOM 680 CA PHE A 46 12.247 -5.460 -4.520 1.00 0.00 C ATOM 681 C PHE A 46 10.951 -5.957 -5.138 1.00 0.00 C ATOM 682 O PHE A 46 10.099 -5.132 -5.459 1.00 0.00 O ATOM 683 CB PHE A 46 12.107 -5.162 -3.014 1.00 0.00 C ATOM 684 CG PHE A 46 10.986 -5.867 -2.265 1.00 0.00 C ATOM 685 CD1 PHE A 46 9.692 -5.322 -2.321 1.00 0.00 C ATOM 686 CD2 PHE A 46 11.202 -7.048 -1.526 1.00 0.00 C ATOM 687 CE1 PHE A 46 8.636 -5.917 -1.618 1.00 0.00 C ATOM 688 CE2 PHE A 46 10.123 -7.648 -0.843 1.00 0.00 C ATOM 689 CZ PHE A 46 8.855 -7.064 -0.856 1.00 0.00 C ATOM 0 H PHE A 46 11.725 -3.653 -5.386 1.00 0.00 H new ATOM 0 HA PHE A 46 13.025 -6.218 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.049 -5.419 -2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.969 -4.087 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.510 -4.436 -2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 46 12.186 -7.490 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.647 -5.485 -1.667 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.280 -8.570 -0.304 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.050 -7.497 -0.281 1.00 0.00 H new ATOM 699 N THR A 47 10.811 -7.272 -5.307 1.00 0.00 N ATOM 700 CA THR A 47 9.566 -7.890 -5.724 1.00 0.00 C ATOM 701 C THR A 47 9.147 -8.903 -4.666 1.00 0.00 C ATOM 702 O THR A 47 9.835 -9.090 -3.664 1.00 0.00 O ATOM 703 CB THR A 47 9.683 -8.476 -7.137 1.00 0.00 C ATOM 704 OG1 THR A 47 8.382 -8.606 -7.683 1.00 0.00 O ATOM 705 CG2 THR A 47 10.412 -9.819 -7.153 1.00 0.00 C ATOM 0 H THR A 47 11.569 -7.938 -5.155 1.00 0.00 H new ATOM 0 HA THR A 47 8.774 -7.144 -5.797 1.00 0.00 H new ATOM 0 HB THR A 47 10.281 -7.796 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.113 -7.757 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.468 -10.190 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.420 -9.691 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.869 -10.535 -6.536 1.00 0.00 H new ATOM 713 N TYR A 48 7.997 -9.530 -4.892 1.00 0.00 N ATOM 714 CA TYR A 48 7.202 -10.163 -3.851 1.00 0.00 C ATOM 715 C TYR A 48 6.811 -11.593 -4.263 1.00 0.00 C ATOM 716 O TYR A 48 7.358 -12.131 -5.227 1.00 0.00 O ATOM 717 CB TYR A 48 6.009 -9.251 -3.519 1.00 0.00 C ATOM 718 CG TYR A 48 5.725 -8.152 -4.525 1.00 0.00 C ATOM 719 CD1 TYR A 48 6.345 -6.902 -4.380 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.823 -8.357 -5.574 1.00 0.00 C ATOM 721 CE1 TYR A 48 6.111 -5.880 -5.314 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.558 -7.323 -6.483 1.00 0.00 C ATOM 723 CZ TYR A 48 5.256 -6.114 -6.404 1.00 0.00 C ATOM 724 OH TYR A 48 5.183 -5.239 -7.450 1.00 0.00 O ATOM 0 H TYR A 48 7.586 -9.613 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 48 7.779 -10.281 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.117 -9.870 -3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.185 -8.792 -2.546 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.006 -6.725 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.331 -9.312 -5.684 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.586 -4.918 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.810 -7.461 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 48 4.315 -4.783 -7.436 1.00 0.00 H new ATOM 734 N THR A 49 5.886 -12.216 -3.525 1.00 0.00 N ATOM 735 CA THR A 49 5.398 -13.565 -3.785 1.00 0.00 C ATOM 736 C THR A 49 4.786 -13.656 -5.185 1.00 0.00 C ATOM 737 O THR A 49 4.296 -12.662 -5.704 1.00 0.00 O ATOM 738 CB THR A 49 4.357 -13.934 -2.712 1.00 0.00 C ATOM 739 OG1 THR A 49 3.472 -12.851 -2.505 1.00 0.00 O ATOM 740 CG2 THR A 49 5.040 -14.231 -1.376 1.00 0.00 C ATOM 0 H THR A 49 5.449 -11.782 -2.712 1.00 0.00 H new ATOM 0 HA THR A 49 6.230 -14.268 -3.741 1.00 0.00 H new ATOM 0 HB THR A 49 3.818 -14.814 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.646 -13.178 -2.092 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.287 -14.489 -0.632 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.731 -15.065 -1.498 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.590 -13.350 -1.045 1.00 0.00 H new ATOM 748 N ASP A 50 4.782 -14.850 -5.780 1.00 0.00 N ATOM 749 CA ASP A 50 4.110 -15.189 -7.032 1.00 0.00 C ATOM 750 C ASP A 50 2.669 -14.691 -7.055 1.00 0.00 C ATOM 751 O ASP A 50 2.297 -13.989 -7.984 1.00 0.00 O ATOM 752 CB ASP A 50 4.180 -16.711 -7.236 1.00 0.00 C ATOM 753 CG ASP A 50 3.497 -17.518 -6.131 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.372 -16.964 -5.013 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.112 -18.666 -6.427 1.00 0.00 O ATOM 0 H ASP A 50 5.274 -15.648 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 50 4.620 -14.688 -7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.720 -16.961 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.226 -17.011 -7.298 1.00 0.00 H new ATOM 760 N ALA A 51 1.860 -14.999 -6.045 1.00 0.00 N ATOM 761 CA ALA A 51 0.461 -14.575 -6.002 1.00 0.00 C ATOM 762 C ALA A 51 0.342 -13.059 -6.122 1.00 0.00 C ATOM 763 O ALA A 51 -0.570 -12.529 -6.756 1.00 0.00 O ATOM 764 CB ALA A 51 -0.173 -15.053 -4.692 1.00 0.00 C ATOM 0 H ALA A 51 2.153 -15.547 -5.236 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.065 -15.018 -6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.216 -14.739 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.120 -16.140 -4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.365 -14.621 -3.848 1.00 0.00 H new ATOM 770 N ASN A 52 1.278 -12.360 -5.493 1.00 0.00 N ATOM 771 CA ASN A 52 1.287 -10.917 -5.412 1.00 0.00 C ATOM 772 C ASN A 52 1.973 -10.294 -6.628 1.00 0.00 C ATOM 773 O ASN A 52 1.726 -9.134 -6.956 1.00 0.00 O ATOM 774 CB ASN A 52 2.003 -10.572 -4.114 1.00 0.00 C ATOM 775 CG ASN A 52 1.565 -9.249 -3.537 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.158 -9.225 -2.381 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.630 -8.171 -4.309 1.00 0.00 N ATOM 0 H ASN A 52 2.067 -12.797 -5.016 1.00 0.00 H new ATOM 0 HA ASN A 52 0.275 -10.513 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.820 -11.360 -3.383 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.078 -10.547 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.333 -7.265 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.977 -8.248 -5.265 1.00 0.00 H new ATOM 784 N LYS A 53 2.846 -11.058 -7.283 1.00 0.00 N ATOM 785 CA LYS A 53 3.596 -10.669 -8.465 1.00 0.00 C ATOM 786 C LYS A 53 2.711 -10.859 -9.694 1.00 0.00 C ATOM 787 O LYS A 53 2.755 -10.079 -10.639 1.00 0.00 O ATOM 788 CB LYS A 53 4.869 -11.510 -8.562 1.00 0.00 C ATOM 789 CG LYS A 53 5.774 -11.073 -9.724 1.00 0.00 C ATOM 790 CD LYS A 53 6.926 -12.062 -9.934 1.00 0.00 C ATOM 791 CE LYS A 53 7.901 -12.037 -8.748 1.00 0.00 C ATOM 792 NZ LYS A 53 9.020 -12.981 -8.927 1.00 0.00 N ATOM 0 H LYS A 53 3.056 -12.011 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 53 3.889 -9.621 -8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.423 -11.435 -7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.599 -12.558 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.185 -10.998 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.176 -10.080 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.527 -13.069 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.459 -11.814 -10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.295 -11.028 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.363 -12.283 -7.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.652 -12.930 -8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.647 -13.948 -9.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.550 -12.732 -9.786 1.00 0.00 H new ATOM 806 N ASN A 54 1.887 -11.904 -9.660 1.00 0.00 N ATOM 807 CA ASN A 54 0.969 -12.299 -10.711 1.00 0.00 C ATOM 808 C ASN A 54 0.052 -11.135 -11.116 1.00 0.00 C ATOM 809 O ASN A 54 -0.445 -11.085 -12.235 1.00 0.00 O ATOM 810 CB ASN A 54 0.124 -13.479 -10.214 1.00 0.00 C ATOM 811 CG ASN A 54 -0.978 -13.856 -11.199 1.00 0.00 C ATOM 812 OD1 ASN A 54 -2.150 -13.590 -10.957 1.00 0.00 O ATOM 813 ND2 ASN A 54 -0.615 -14.489 -12.310 1.00 0.00 N ATOM 0 H ASN A 54 1.844 -12.527 -8.853 1.00 0.00 H new ATOM 0 HA ASN A 54 1.545 -12.591 -11.589 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.770 -14.341 -10.047 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.322 -13.224 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.321 -14.768 -12.991 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.369 -14.695 -12.481 1.00 0.00 H new ATOM 820 N LYS A 55 -0.193 -10.228 -10.163 1.00 0.00 N ATOM 821 CA LYS A 55 -1.188 -9.171 -10.201 1.00 0.00 C ATOM 822 C LYS A 55 -1.240 -8.399 -11.521 1.00 0.00 C ATOM 823 O LYS A 55 -2.291 -8.337 -12.152 1.00 0.00 O ATOM 824 CB LYS A 55 -0.927 -8.233 -9.013 1.00 0.00 C ATOM 825 CG LYS A 55 -1.727 -8.692 -7.789 1.00 0.00 C ATOM 826 CD LYS A 55 -3.215 -8.347 -7.984 1.00 0.00 C ATOM 827 CE LYS A 55 -4.133 -9.510 -7.581 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.559 -9.184 -7.773 1.00 0.00 N ATOM 0 H LYS A 55 0.338 -10.220 -9.292 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.171 -9.635 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.137 -8.221 -8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.207 -7.213 -9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.608 -9.766 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.346 -8.207 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.464 -7.467 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.394 -8.089 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.881 -10.391 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.957 -9.764 -6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.137 -9.765 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.716 -8.177 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.830 -9.379 -8.758 1.00 0.00 H new ATOM 842 N GLY A 56 -0.136 -7.745 -11.888 1.00 0.00 N ATOM 843 CA GLY A 56 -0.033 -6.966 -13.117 1.00 0.00 C ATOM 844 C GLY A 56 -1.135 -5.909 -13.303 1.00 0.00 C ATOM 845 O GLY A 56 -1.458 -5.545 -14.431 1.00 0.00 O ATOM 0 H GLY A 56 0.719 -7.743 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.936 -6.468 -13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.056 -7.648 -13.967 1.00 0.00 H new ATOM 849 N ILE A 57 -1.690 -5.385 -12.205 1.00 0.00 N ATOM 850 CA ILE A 57 -2.601 -4.251 -12.203 1.00 0.00 C ATOM 851 C ILE A 57 -1.778 -2.963 -12.237 1.00 0.00 C ATOM 852 O ILE A 57 -0.569 -2.996 -12.436 1.00 0.00 O ATOM 853 CB ILE A 57 -3.536 -4.305 -10.975 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.831 -4.709 -9.674 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.714 -5.247 -11.257 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.535 -4.166 -8.430 1.00 0.00 C ATOM 0 H ILE A 57 -1.509 -5.753 -11.271 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.240 -4.283 -13.085 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.895 -3.288 -10.817 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.783 -5.796 -9.614 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.804 -4.345 -9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.370 -5.280 -10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.273 -4.882 -12.119 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.337 -6.248 -11.466 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.994 -4.482 -7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.560 -3.077 -8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.554 -4.551 -8.391 1.00 0.00 H new ATOM 868 N THR A 58 -2.425 -1.814 -12.056 1.00 0.00 N ATOM 869 CA THR A 58 -1.804 -0.503 -12.122 1.00 0.00 C ATOM 870 C THR A 58 -1.902 0.205 -10.762 1.00 0.00 C ATOM 871 O THR A 58 -1.847 1.434 -10.703 1.00 0.00 O ATOM 872 CB THR A 58 -2.522 0.250 -13.249 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.794 -0.659 -14.306 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.685 1.400 -13.792 1.00 0.00 C ATOM 0 H THR A 58 -3.424 -1.773 -11.854 1.00 0.00 H new ATOM 0 HA THR A 58 -0.737 -0.557 -12.340 1.00 0.00 H new ATOM 0 HB THR A 58 -3.442 0.668 -12.841 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.255 -0.188 -15.032 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.233 1.905 -14.588 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.476 2.108 -12.990 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.746 1.012 -14.187 1.00 0.00 H new ATOM 882 N TRP A 59 -2.113 -0.581 -9.692 1.00 0.00 N ATOM 883 CA TRP A 59 -2.512 -0.132 -8.362 1.00 0.00 C ATOM 884 C TRP A 59 -3.307 1.169 -8.416 1.00 0.00 C ATOM 885 O TRP A 59 -2.861 2.217 -7.953 1.00 0.00 O ATOM 886 CB TRP A 59 -1.301 -0.048 -7.439 1.00 0.00 C ATOM 887 CG TRP A 59 -0.865 -1.336 -6.813 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.378 -1.858 -6.878 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.631 -2.234 -5.955 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.428 -3.021 -6.140 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.790 -3.320 -5.572 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.947 -2.237 -5.443 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -1.232 -4.368 -4.753 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.397 -3.278 -4.613 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.551 -4.350 -4.280 1.00 0.00 C ATOM 0 H TRP A 59 -2.003 -1.594 -9.742 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.188 -0.875 -7.939 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.464 0.360 -8.006 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.524 0.663 -6.643 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.206 -1.430 -7.424 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.266 -3.591 -6.028 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.617 -1.428 -5.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.566 -5.177 -4.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.405 -3.254 -4.226 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.916 -5.157 -3.662 1.00 0.00 H new ATOM 906 N LYS A 60 -4.506 1.086 -8.991 1.00 0.00 N ATOM 907 CA LYS A 60 -5.401 2.221 -8.981 1.00 0.00 C ATOM 908 C LYS A 60 -6.122 2.247 -7.631 1.00 0.00 C ATOM 909 O LYS A 60 -6.138 1.251 -6.900 1.00 0.00 O ATOM 910 CB LYS A 60 -6.397 2.161 -10.149 1.00 0.00 C ATOM 911 CG LYS A 60 -7.138 0.819 -10.264 1.00 0.00 C ATOM 912 CD LYS A 60 -6.531 -0.126 -11.312 1.00 0.00 C ATOM 913 CE LYS A 60 -7.069 0.153 -12.726 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.497 -0.208 -12.875 1.00 0.00 N ATOM 0 H LYS A 60 -4.868 0.255 -9.460 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.831 3.141 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.129 2.960 -10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.863 2.351 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.131 0.324 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.181 1.009 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.446 -0.019 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.750 -1.158 -11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.940 1.210 -12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.479 -0.407 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.751 -0.211 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.660 -1.154 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.085 0.487 -12.372 1.00 0.00 H new ATOM 928 N GLU A 61 -6.773 3.378 -7.359 1.00 0.00 N ATOM 929 CA GLU A 61 -7.608 3.616 -6.176 1.00 0.00 C ATOM 930 C GLU A 61 -8.531 2.443 -5.940 1.00 0.00 C ATOM 931 O GLU A 61 -8.613 1.887 -4.846 1.00 0.00 O ATOM 932 CB GLU A 61 -8.339 4.960 -6.343 1.00 0.00 C ATOM 933 CG GLU A 61 -8.672 5.629 -5.004 1.00 0.00 C ATOM 934 CD GLU A 61 -9.214 7.037 -5.218 1.00 0.00 C ATOM 935 OE1 GLU A 61 -8.483 7.840 -5.835 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.339 7.326 -4.766 1.00 0.00 O ATOM 0 H GLU A 61 -6.733 4.187 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.996 3.693 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.720 5.633 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.261 4.799 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.407 5.030 -4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.778 5.670 -4.381 1.00 0.00 H new ATOM 943 N GLU A 62 -9.151 2.034 -7.032 1.00 0.00 N ATOM 944 CA GLU A 62 -10.128 0.986 -7.050 1.00 0.00 C ATOM 945 C GLU A 62 -9.574 -0.289 -6.394 1.00 0.00 C ATOM 946 O GLU A 62 -10.207 -0.903 -5.537 1.00 0.00 O ATOM 947 CB GLU A 62 -10.562 0.744 -8.511 1.00 0.00 C ATOM 948 CG GLU A 62 -10.656 2.012 -9.390 1.00 0.00 C ATOM 949 CD GLU A 62 -11.071 1.671 -10.817 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.396 0.790 -11.399 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.007 2.319 -11.324 1.00 0.00 O ATOM 0 H GLU A 62 -8.976 2.440 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.002 1.279 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.857 0.053 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.534 0.251 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.377 2.705 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.692 2.521 -9.402 1.00 0.00 H new ATOM 958 N THR A 63 -8.362 -0.672 -6.798 1.00 0.00 N ATOM 959 CA THR A 63 -7.716 -1.899 -6.370 1.00 0.00 C ATOM 960 C THR A 63 -7.086 -1.728 -4.989 1.00 0.00 C ATOM 961 O THR A 63 -7.161 -2.635 -4.162 1.00 0.00 O ATOM 962 CB THR A 63 -6.695 -2.337 -7.430 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.910 -1.255 -7.906 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.435 -2.926 -8.635 1.00 0.00 C ATOM 0 H THR A 63 -7.796 -0.122 -7.445 1.00 0.00 H new ATOM 0 HA THR A 63 -8.460 -2.690 -6.275 1.00 0.00 H new ATOM 0 HB THR A 63 -6.040 -3.067 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.026 -0.482 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.712 -3.238 -9.389 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.021 -3.788 -8.316 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.099 -2.172 -9.058 1.00 0.00 H new ATOM 972 N LEU A 64 -6.472 -0.568 -4.728 1.00 0.00 N ATOM 973 CA LEU A 64 -5.939 -0.237 -3.417 1.00 0.00 C ATOM 974 C LEU A 64 -7.036 -0.344 -2.357 1.00 0.00 C ATOM 975 O LEU A 64 -6.787 -0.838 -1.261 1.00 0.00 O ATOM 976 CB LEU A 64 -5.331 1.176 -3.448 1.00 0.00 C ATOM 977 CG LEU A 64 -3.793 1.156 -3.417 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.213 1.960 -4.582 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.307 1.758 -2.099 1.00 0.00 C ATOM 0 H LEU A 64 -6.335 0.163 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.153 -0.945 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.666 1.693 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.701 1.746 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.458 0.123 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.124 1.931 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.550 1.529 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.551 2.994 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.217 1.746 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.660 2.786 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.696 1.172 -1.266 1.00 0.00 H new ATOM 991 N MET A 65 -8.249 0.109 -2.676 1.00 0.00 N ATOM 992 CA MET A 65 -9.369 0.034 -1.764 1.00 0.00 C ATOM 993 C MET A 65 -9.671 -1.432 -1.438 1.00 0.00 C ATOM 994 O MET A 65 -9.667 -1.821 -0.271 1.00 0.00 O ATOM 995 CB MET A 65 -10.556 0.784 -2.377 1.00 0.00 C ATOM 996 CG MET A 65 -11.551 1.203 -1.296 1.00 0.00 C ATOM 997 SD MET A 65 -12.760 2.468 -1.760 1.00 0.00 S ATOM 998 CE MET A 65 -11.660 3.872 -2.065 1.00 0.00 C ATOM 0 H MET A 65 -8.473 0.536 -3.575 1.00 0.00 H new ATOM 0 HA MET A 65 -9.140 0.517 -0.814 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.199 1.665 -2.910 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.054 0.149 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A 65 -12.093 0.316 -0.969 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.988 1.567 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.234 4.798 -2.029 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.882 3.897 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.201 3.768 -3.048 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.906 -2.251 -2.467 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.244 -3.660 -2.277 1.00 0.00 C ATOM 1010 C GLU A 66 -9.175 -4.360 -1.419 1.00 0.00 C ATOM 1011 O GLU A 66 -9.486 -5.052 -0.450 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.444 -4.332 -3.646 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.493 -5.451 -3.574 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.682 -6.130 -4.926 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.172 -5.438 -5.843 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.317 -7.322 -5.024 1.00 0.00 O ATOM 0 H GLU A 66 -9.868 -1.959 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.183 -3.746 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.756 -3.586 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.496 -4.742 -3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.187 -6.191 -2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.444 -5.038 -3.237 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.902 -4.124 -1.748 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.750 -4.617 -1.003 1.00 0.00 C ATOM 1025 C TYR A 67 -6.832 -4.215 0.463 1.00 0.00 C ATOM 1026 O TYR A 67 -6.929 -5.079 1.321 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.485 -4.068 -1.666 1.00 0.00 C ATOM 1028 CG TYR A 67 -4.167 -4.561 -1.107 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.967 -5.934 -0.892 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -3.060 -3.696 -1.068 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.698 -6.428 -0.564 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.767 -4.229 -0.934 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.577 -5.603 -0.718 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.476 -6.188 -1.246 1.00 0.00 O ATOM 0 H TYR A 67 -7.642 -3.569 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.730 -5.707 -1.024 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.520 -4.315 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.503 -2.981 -1.591 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.800 -6.616 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.202 -2.628 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.585 -7.437 -0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.910 -3.575 -0.998 1.00 0.00 H new ATOM 0 HH TYR A 67 0.246 -5.528 -1.311 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.790 -2.924 0.784 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.763 -2.511 2.185 1.00 0.00 C ATOM 1046 C LEU A 68 -8.036 -2.890 2.946 1.00 0.00 C ATOM 1047 O LEU A 68 -7.998 -2.980 4.172 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.441 -1.017 2.347 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.939 -0.677 2.376 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.173 -1.483 3.435 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.279 -0.844 1.007 1.00 0.00 C ATOM 0 H LEU A 68 -6.774 -2.160 0.109 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.947 -3.074 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.907 -0.469 1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.897 -0.660 3.270 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.884 0.376 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.119 -1.204 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.584 -1.270 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.271 -2.548 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.221 -0.592 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.384 -1.877 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.761 -0.182 0.288 1.00 0.00 H new ATOM 1063 N GLU A 69 -9.162 -3.109 2.263 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.319 -3.705 2.914 1.00 0.00 C ATOM 1065 C GLU A 69 -10.019 -5.164 3.271 1.00 0.00 C ATOM 1066 O GLU A 69 -10.319 -5.611 4.377 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.555 -3.605 2.010 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.841 -3.890 2.806 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.717 -4.928 2.120 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -14.532 -4.497 1.277 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.559 -6.121 2.460 1.00 0.00 O ATOM 0 H GLU A 69 -9.292 -2.885 1.276 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.531 -3.158 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.608 -2.610 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.467 -4.314 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.579 -4.239 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.404 -2.965 2.929 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.464 -5.909 2.312 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.415 -7.361 2.347 1.00 0.00 C ATOM 1080 C ASN A 70 -8.161 -7.853 1.612 1.00 0.00 C ATOM 1081 O ASN A 70 -8.248 -8.361 0.500 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.718 -7.882 1.712 1.00 0.00 C ATOM 1083 CG ASN A 70 -11.416 -8.895 2.607 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -10.873 -9.963 2.883 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -12.621 -8.578 3.066 1.00 0.00 N ATOM 0 H ASN A 70 -9.031 -5.508 1.480 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.345 -7.740 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.388 -7.045 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.495 -8.341 0.749 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.125 -9.229 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.042 -7.683 2.817 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.963 -7.720 2.193 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.728 -7.854 1.438 1.00 0.00 C ATOM 1094 C PRO A 71 -5.418 -9.316 1.138 1.00 0.00 C ATOM 1095 O PRO A 71 -5.145 -9.687 -0.001 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.650 -7.157 2.273 1.00 0.00 C ATOM 1097 CG PRO A 71 -5.202 -7.223 3.697 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.720 -7.192 3.515 1.00 0.00 C ATOM 0 HA PRO A 71 -5.793 -7.388 0.455 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.689 -7.664 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.495 -6.128 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.881 -8.131 4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.856 -6.382 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.218 -7.794 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.105 -6.177 3.609 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.514 -10.155 2.170 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.352 -11.594 2.084 1.00 0.00 C ATOM 1108 C LYS A 72 -6.353 -12.210 1.092 1.00 0.00 C ATOM 1109 O LYS A 72 -6.082 -13.265 0.520 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.454 -12.137 3.521 1.00 0.00 C ATOM 1111 CG LYS A 72 -5.553 -13.664 3.617 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.014 -14.122 3.769 1.00 0.00 C ATOM 1113 CE LYS A 72 -7.313 -15.311 2.852 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.578 -15.984 3.212 1.00 0.00 N ATOM 0 H LYS A 72 -5.714 -9.834 3.117 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.381 -11.874 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.581 -11.806 4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.329 -11.698 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.119 -14.115 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.969 -14.015 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.206 -14.400 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.685 -13.296 3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.367 -14.967 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.493 -16.027 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.742 -16.783 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.519 -16.335 4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.365 -15.309 3.134 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.511 -11.573 0.886 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.471 -11.983 -0.130 1.00 0.00 C ATOM 1130 C LYS A 73 -8.003 -11.504 -1.509 1.00 0.00 C ATOM 1131 O LYS A 73 -7.902 -12.311 -2.431 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.855 -11.432 0.241 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.965 -11.690 -0.789 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.455 -13.144 -0.767 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.493 -13.347 -1.881 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.171 -14.658 -1.789 1.00 0.00 N ATOM 0 H LYS A 73 -7.804 -10.757 1.424 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.543 -13.070 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.158 -11.868 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.769 -10.356 0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.804 -11.023 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.596 -11.449 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.616 -13.825 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.895 -13.377 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.237 -12.552 -1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.002 -13.262 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.861 -14.747 -2.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.466 -15.419 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.663 -14.731 -0.876 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.754 -10.197 -1.660 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.392 -9.568 -2.920 1.00 0.00 C ATOM 1152 C TYR A 74 -6.194 -10.255 -3.587 1.00 0.00 C ATOM 1153 O TYR A 74 -6.142 -10.378 -4.817 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.101 -8.091 -2.636 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.894 -7.260 -3.881 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.965 -7.089 -4.772 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.610 -6.821 -4.243 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.731 -6.618 -6.072 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.375 -6.349 -5.543 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.425 -6.309 -6.475 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.117 -6.447 -7.797 1.00 0.00 O ATOM 0 H TYR A 74 -7.802 -9.537 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.218 -9.664 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.928 -7.671 -2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.211 -8.019 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.971 -7.321 -4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.806 -6.847 -3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.554 -6.494 -6.760 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.387 -6.017 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.443 -5.667 -8.292 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.228 -10.673 -2.761 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.053 -11.442 -3.151 1.00 0.00 C ATOM 1173 C ILE A 75 -3.952 -12.695 -2.259 1.00 0.00 C ATOM 1174 O ILE A 75 -3.490 -12.602 -1.119 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.798 -10.558 -3.046 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.819 -9.456 -4.123 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.536 -11.406 -3.257 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.097 -8.182 -3.695 1.00 0.00 C ATOM 0 H ILE A 75 -5.250 -10.473 -1.761 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.138 -11.770 -4.187 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.790 -10.106 -2.054 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.358 -9.838 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.854 -9.215 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.654 -10.771 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.489 -12.185 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.568 -11.866 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.149 -7.447 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.572 -7.777 -2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.053 -8.410 -3.479 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.342 -13.881 -2.757 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.272 -15.118 -1.993 1.00 0.00 C ATOM 1192 C PRO A 76 -2.823 -15.613 -1.914 1.00 0.00 C ATOM 1193 O PRO A 76 -2.428 -16.520 -2.643 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.193 -16.095 -2.729 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.072 -15.647 -4.184 1.00 0.00 C ATOM 1196 CD PRO A 76 -4.923 -14.129 -4.071 1.00 0.00 C ATOM 0 HA PRO A 76 -4.592 -14.997 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.874 -17.129 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.220 -16.030 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.211 -16.101 -4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.952 -15.923 -4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.281 -13.740 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.889 -13.633 -4.171 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.040 -15.021 -1.011 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.667 -15.429 -0.720 1.00 0.00 C ATOM 1206 C GLY A 77 0.284 -14.239 -0.807 1.00 0.00 C ATOM 1207 O GLY A 77 1.363 -14.315 -1.395 1.00 0.00 O ATOM 0 H GLY A 77 -2.350 -14.228 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.617 -15.868 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.356 -16.201 -1.424 1.00 0.00 H new ATOM 1211 N THR A 78 -0.118 -13.121 -0.207 1.00 0.00 N ATOM 1212 CA THR A 78 0.750 -11.972 -0.063 1.00 0.00 C ATOM 1213 C THR A 78 1.753 -12.228 1.065 1.00 0.00 C ATOM 1214 O THR A 78 1.515 -13.042 1.956 1.00 0.00 O ATOM 1215 CB THR A 78 -0.084 -10.706 0.174 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.809 -9.630 0.312 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.973 -10.780 1.423 1.00 0.00 C ATOM 0 H THR A 78 -1.050 -12.994 0.188 1.00 0.00 H new ATOM 0 HA THR A 78 1.316 -11.814 -0.981 1.00 0.00 H new ATOM 0 HB THR A 78 -0.757 -10.585 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.079 -9.313 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.533 -9.851 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.668 -11.614 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.350 -10.928 2.305 1.00 0.00 H new ATOM 1225 N LYS A 79 2.859 -11.484 1.035 1.00 0.00 N ATOM 1226 CA LYS A 79 3.801 -11.357 2.141 1.00 0.00 C ATOM 1227 C LYS A 79 3.439 -10.115 2.979 1.00 0.00 C ATOM 1228 O LYS A 79 4.180 -9.738 3.882 1.00 0.00 O ATOM 1229 CB LYS A 79 5.223 -11.320 1.550 1.00 0.00 C ATOM 1230 CG LYS A 79 6.372 -11.425 2.567 1.00 0.00 C ATOM 1231 CD LYS A 79 7.688 -10.971 1.917 1.00 0.00 C ATOM 1232 CE LYS A 79 8.882 -11.091 2.875 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.343 -12.488 3.027 1.00 0.00 N ATOM 0 H LYS A 79 3.129 -10.939 0.216 1.00 0.00 H new ATOM 0 HA LYS A 79 3.753 -12.205 2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.320 -12.136 0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.340 -10.391 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.155 -10.808 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.465 -12.452 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.877 -11.571 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.591 -9.936 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.704 -10.478 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.603 -10.695 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.150 -12.518 3.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.568 -13.070 3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.636 -12.860 2.101 1.00 0.00 H new ATOM 1247 N MET A 80 2.300 -9.472 2.704 1.00 0.00 N ATOM 1248 CA MET A 80 1.891 -8.263 3.396 1.00 0.00 C ATOM 1249 C MET A 80 1.654 -8.478 4.889 1.00 0.00 C ATOM 1250 O MET A 80 1.929 -7.604 5.703 1.00 0.00 O ATOM 1251 CB MET A 80 0.662 -7.677 2.710 1.00 0.00 C ATOM 1252 CG MET A 80 0.227 -6.355 3.334 1.00 0.00 C ATOM 1253 SD MET A 80 0.276 -4.925 2.225 1.00 0.00 S ATOM 1254 CE MET A 80 -1.400 -4.258 2.451 1.00 0.00 C ATOM 0 H MET A 80 1.639 -9.783 1.992 1.00 0.00 H new ATOM 0 HA MET A 80 2.713 -7.550 3.334 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.877 -7.524 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.159 -8.391 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.789 -6.467 3.711 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.865 -6.150 4.193 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.525 -3.370 1.831 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.133 -5.010 2.160 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.548 -3.993 3.498 1.00 0.00 H new ATOM 1264 N ILE A 81 1.110 -9.642 5.232 1.00 0.00 N ATOM 1265 CA ILE A 81 0.689 -10.006 6.575 1.00 0.00 C ATOM 1266 C ILE A 81 -0.232 -8.920 7.137 1.00 0.00 C ATOM 1267 O ILE A 81 0.133 -8.152 8.025 1.00 0.00 O ATOM 1268 CB ILE A 81 1.922 -10.286 7.450 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.891 -11.298 6.812 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.549 -10.738 8.872 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.377 -12.742 6.801 1.00 0.00 C ATOM 0 H ILE A 81 0.945 -10.385 4.553 1.00 0.00 H new ATOM 0 HA ILE A 81 0.108 -10.928 6.560 1.00 0.00 H new ATOM 0 HB ILE A 81 2.438 -9.329 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.097 -10.990 5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.838 -11.266 7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.458 -10.922 9.445 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.963 -9.959 9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.961 -11.655 8.820 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.120 -13.389 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.199 -13.073 7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.446 -12.793 6.236 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.451 -8.849 6.600 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.436 -7.866 7.009 1.00 0.00 C ATOM 1285 C PHE A 82 -3.822 -8.440 6.735 1.00 0.00 C ATOM 1286 O PHE A 82 -3.937 -9.450 6.039 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.170 -6.548 6.267 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.464 -5.317 7.093 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.622 -5.008 8.177 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.537 -4.468 6.773 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -1.878 -3.878 8.969 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -3.776 -3.324 7.550 1.00 0.00 C ATOM 1293 CZ PHE A 82 -2.964 -3.043 8.663 1.00 0.00 C ATOM 0 H PHE A 82 -1.777 -9.478 5.866 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.372 -7.645 8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.127 -6.523 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.777 -6.521 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.777 -5.642 8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.176 -4.695 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.241 -3.652 9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.586 -2.658 7.292 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.176 -2.184 9.283 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.865 -7.819 7.292 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.241 -8.264 7.132 1.00 0.00 C ATOM 1305 C ALA A 83 -7.174 -7.059 7.273 1.00 0.00 C ATOM 1306 O ALA A 83 -7.347 -6.310 6.316 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.545 -9.400 8.118 1.00 0.00 C ATOM 0 H ALA A 83 -4.771 -6.985 7.872 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.404 -8.680 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.577 -9.726 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.874 -10.237 7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.400 -9.045 9.138 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.753 -6.850 8.457 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.571 -5.680 8.737 1.00 0.00 C ATOM 1315 C GLY A 84 -7.690 -4.531 9.220 1.00 0.00 C ATOM 1316 O GLY A 84 -6.477 -4.691 9.352 1.00 0.00 O ATOM 0 H GLY A 84 -7.665 -7.491 9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.113 -5.381 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.317 -5.920 9.494 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.302 -3.380 9.524 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.594 -2.264 10.137 1.00 0.00 C ATOM 1322 C ILE A 85 -8.502 -1.549 11.133 1.00 0.00 C ATOM 1323 O ILE A 85 -8.216 -1.548 12.328 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.956 -1.364 9.064 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -6.213 -0.207 9.739 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -7.909 -0.867 7.966 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.107 0.343 8.836 1.00 0.00 C ATOM 0 H ILE A 85 -9.292 -3.203 9.352 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.751 -2.627 10.725 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.252 -1.996 8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -6.917 0.589 9.981 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.782 -0.548 10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.359 -0.242 7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.333 -1.721 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.712 -0.285 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.598 1.163 9.343 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.390 -0.448 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.544 0.707 7.906 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.619 -0.995 10.654 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.741 -0.572 11.482 1.00 0.00 C ATOM 1341 C LYS A 86 -12.019 -1.049 10.804 1.00 0.00 C ATOM 1342 O LYS A 86 -12.668 -1.969 11.290 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.745 0.952 11.718 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.650 1.370 12.711 1.00 0.00 C ATOM 1345 CD LYS A 86 -10.150 2.182 13.914 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.548 3.612 13.523 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.784 4.465 14.705 1.00 0.00 N ATOM 0 H LYS A 86 -9.767 -0.827 9.659 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.658 -1.016 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.595 1.469 10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.719 1.260 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.150 0.474 13.078 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.902 1.958 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.007 1.677 14.360 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.370 2.219 14.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.761 4.052 12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.450 3.583 12.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.050 5.421 14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.552 4.060 15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.916 4.515 15.276 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.376 -0.428 9.674 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.626 -0.724 8.987 1.00 0.00 C ATOM 1363 C LYS A 87 -13.627 -0.081 7.601 1.00 0.00 C ATOM 1364 O LYS A 87 -13.652 -0.765 6.573 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.794 -0.199 9.840 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.149 -0.672 9.291 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.242 -0.526 10.360 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.570 -1.115 9.861 1.00 0.00 C ATOM 1369 NZ LYS A 87 -19.606 -1.136 10.916 1.00 0.00 N ATOM 0 H LYS A 87 -11.809 0.286 9.218 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.736 -1.800 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.677 -0.541 10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.769 0.891 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.414 -0.089 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.077 -1.713 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.934 -1.033 11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.376 0.527 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.929 -0.530 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.402 -2.130 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.484 -1.542 10.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -19.277 -1.715 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.787 -0.166 11.244 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.598 1.252 7.591 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.625 2.084 6.394 1.00 0.00 C ATOM 1385 C LYS A 88 -12.885 3.392 6.636 1.00 0.00 C ATOM 1386 O LYS A 88 -12.161 3.827 5.753 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.051 2.288 5.843 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.018 3.053 6.759 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.905 4.591 6.681 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.069 5.272 5.940 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.949 5.166 4.471 1.00 0.00 N ATOM 0 H LYS A 88 -13.553 1.800 8.450 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.093 1.551 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.981 2.820 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.481 1.310 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.039 2.765 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.843 2.742 7.789 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.849 4.992 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.971 4.851 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.010 4.821 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.108 6.324 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.623 5.817 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.981 5.415 4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.158 4.191 4.175 1.00 0.00 H new ATOM 1405 N THR A 89 -13.051 4.010 7.812 1.00 0.00 N ATOM 1406 CA THR A 89 -12.438 5.289 8.140 1.00 0.00 C ATOM 1407 C THR A 89 -10.963 5.313 7.753 1.00 0.00 C ATOM 1408 O THR A 89 -10.555 6.188 6.992 1.00 0.00 O ATOM 1409 CB THR A 89 -12.660 5.576 9.628 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.006 5.250 9.930 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.374 7.046 9.952 1.00 0.00 C ATOM 0 H THR A 89 -13.622 3.627 8.565 1.00 0.00 H new ATOM 0 HA THR A 89 -12.910 6.083 7.561 1.00 0.00 H new ATOM 0 HB THR A 89 -11.978 4.978 10.232 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.179 5.422 10.879 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.539 7.223 11.015 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.339 7.279 9.702 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.040 7.683 9.370 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.198 4.305 8.197 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.799 4.216 7.799 1.00 0.00 C ATOM 1421 C GLU A 90 -8.664 4.223 6.282 1.00 0.00 C ATOM 1422 O GLU A 90 -7.976 5.038 5.683 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.139 2.949 8.368 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.992 3.369 9.285 1.00 0.00 C ATOM 1425 CD GLU A 90 -7.450 3.556 10.722 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -8.603 3.998 10.913 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.659 3.172 11.617 1.00 0.00 O ATOM 0 H GLU A 90 -10.520 3.561 8.816 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.290 5.090 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.869 2.358 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.766 2.320 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.206 2.615 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.558 4.299 8.919 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.391 3.324 5.631 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.385 3.195 4.188 1.00 0.00 C ATOM 1436 C ARG A 91 -9.875 4.472 3.477 1.00 0.00 C ATOM 1437 O ARG A 91 -9.813 4.533 2.253 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.208 1.949 3.839 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.046 1.501 2.386 1.00 0.00 C ATOM 1440 CD ARG A 91 -10.610 0.093 2.171 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.035 -0.015 2.521 1.00 0.00 N ATOM 1442 CZ ARG A 91 -12.533 -0.458 3.688 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -11.735 -0.872 4.675 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -13.851 -0.465 3.903 1.00 0.00 N ATOM 0 H ARG A 91 -10.006 2.659 6.099 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.365 3.070 3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.914 1.132 4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.261 2.152 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.556 2.204 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.991 1.518 2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.475 -0.191 1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.039 -0.616 2.770 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.708 0.273 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.722 -0.857 4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.138 -1.204 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.488 -0.133 3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -14.221 -0.803 4.791 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.339 5.491 4.214 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.866 6.724 3.675 1.00 0.00 C ATOM 1460 C GLU A 92 -9.907 7.893 3.894 1.00 0.00 C ATOM 1461 O GLU A 92 -10.020 8.922 3.228 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.217 7.001 4.347 1.00 0.00 C ATOM 1463 CG GLU A 92 -13.083 7.841 3.405 1.00 0.00 C ATOM 1464 CD GLU A 92 -14.050 6.950 2.635 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.936 6.384 3.319 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.904 6.856 1.404 1.00 0.00 O ATOM 0 H GLU A 92 -10.352 5.465 5.234 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.992 6.620 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.719 6.063 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.067 7.528 5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.640 8.583 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.448 8.387 2.707 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.035 7.796 4.893 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.939 8.734 5.096 1.00 0.00 C ATOM 1475 C ASP A 93 -6.690 8.217 4.408 1.00 0.00 C ATOM 1476 O ASP A 93 -6.072 8.913 3.610 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.675 9.024 6.578 1.00 0.00 C ATOM 1478 CG ASP A 93 -7.606 7.843 7.535 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -6.732 6.981 7.319 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.413 7.854 8.488 1.00 0.00 O ATOM 0 H ASP A 93 -9.071 7.054 5.592 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.230 9.685 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.733 9.567 6.649 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.458 9.695 6.932 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.305 6.993 4.723 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.059 6.386 4.294 1.00 0.00 C ATOM 1487 C LEU A 94 -4.949 6.399 2.768 1.00 0.00 C ATOM 1488 O LEU A 94 -3.961 6.841 2.182 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.995 4.961 4.852 1.00 0.00 C ATOM 1490 CG LEU A 94 -3.560 4.535 5.145 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.552 3.061 5.529 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -2.627 4.770 3.955 1.00 0.00 C ATOM 0 H LEU A 94 -6.871 6.374 5.304 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.213 6.957 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.586 4.901 5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.441 4.270 4.137 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.187 5.147 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.530 2.746 5.741 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.169 2.913 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.951 2.468 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.618 4.450 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.979 4.197 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.618 5.831 3.703 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.014 5.958 2.105 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.026 5.870 0.645 1.00 0.00 C ATOM 1506 C ILE A 95 -5.995 7.275 0.028 1.00 0.00 C ATOM 1507 O ILE A 95 -5.663 7.434 -1.144 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.224 5.024 0.172 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.262 3.641 0.851 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.245 4.845 -1.353 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.047 2.752 0.578 1.00 0.00 C ATOM 0 H ILE A 95 -6.879 5.656 2.553 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.128 5.359 0.298 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.112 5.583 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.354 3.784 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.159 3.116 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.108 4.242 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.311 5.821 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.331 4.344 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.167 1.802 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.962 2.571 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.145 3.249 0.934 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.290 8.304 0.829 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.311 9.686 0.407 1.00 0.00 C ATOM 1525 C ALA A 96 -4.893 10.239 0.613 1.00 0.00 C ATOM 1526 O ALA A 96 -4.382 10.952 -0.247 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.431 10.423 1.167 1.00 0.00 C ATOM 0 H ALA A 96 -6.526 8.183 1.814 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.553 9.821 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.456 11.467 0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.390 9.955 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.240 10.368 2.239 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.206 9.835 1.694 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.787 10.101 1.876 1.00 0.00 C ATOM 1535 C TYR A 97 -1.998 9.591 0.687 1.00 0.00 C ATOM 1536 O TYR A 97 -1.266 10.361 0.078 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.205 9.465 3.148 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.677 9.398 3.182 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.086 10.467 2.673 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.012 8.233 3.608 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.490 10.420 2.676 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.388 8.155 3.541 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.140 9.256 3.112 1.00 0.00 C ATOM 1544 OH TYR A 97 3.495 9.185 3.162 1.00 0.00 O ATOM 0 H TYR A 97 -4.628 9.314 2.463 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.699 11.183 1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.551 10.031 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.603 8.455 3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.416 11.336 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.580 7.397 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.064 11.273 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.888 7.240 3.822 1.00 0.00 H new ATOM 0 HH TYR A 97 3.764 8.576 3.881 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.074 8.298 0.375 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.195 7.755 -0.660 1.00 0.00 C ATOM 1556 C LEU A 98 -1.374 8.500 -1.980 1.00 0.00 C ATOM 1557 O LEU A 98 -0.429 8.667 -2.753 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.390 6.249 -0.827 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.152 5.497 0.487 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.348 4.001 0.241 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.235 5.747 1.094 1.00 0.00 C ATOM 0 H LEU A 98 -2.711 7.627 0.806 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.166 7.909 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.401 6.050 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.706 5.876 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.874 5.875 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.181 3.455 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.364 3.820 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.638 3.660 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.333 5.183 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.003 5.425 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.355 6.810 1.301 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.587 9.005 -2.201 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.943 9.715 -3.418 1.00 0.00 C ATOM 1575 C LYS A 99 -2.108 10.982 -3.598 1.00 0.00 C ATOM 1576 O LYS A 99 -1.948 11.456 -4.720 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.446 10.002 -3.401 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.022 10.175 -4.810 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.544 10.293 -4.663 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.220 10.600 -6.003 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.683 10.423 -5.913 1.00 0.00 N ATOM 0 H LYS A 99 -3.353 8.930 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.717 9.090 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.964 9.186 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.634 10.905 -2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.611 11.064 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.761 9.325 -5.440 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.944 9.363 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.781 11.080 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.992 11.623 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.818 9.944 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.143 10.929 -6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.914 9.411 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.024 10.804 -5.007 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.554 11.502 -2.501 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.600 12.587 -2.496 1.00 0.00 C ATOM 1597 C LYS A 100 0.809 12.076 -2.214 1.00 0.00 C ATOM 1598 O LYS A 100 1.736 12.710 -2.677 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.006 13.703 -1.527 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.877 13.354 -0.037 1.00 0.00 C ATOM 1601 CD LYS A 100 -0.723 14.652 0.756 1.00 0.00 C ATOM 1602 CE LYS A 100 -0.256 14.417 2.199 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.315 15.659 2.754 1.00 0.00 N ATOM 0 H LYS A 100 -1.772 11.160 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.598 13.026 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.394 14.581 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.040 13.981 -1.731 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.757 12.806 0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.016 12.706 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.008 15.299 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.677 15.179 0.769 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.095 14.087 2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.489 13.622 2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.519 15.526 3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.195 15.892 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.366 16.436 2.638 1.00 0.00 H new ATOM 1617 N ALA A 101 1.009 10.967 -1.488 1.00 0.00 N ATOM 1618 CA ALA A 101 2.340 10.425 -1.213 1.00 0.00 C ATOM 1619 C ALA A 101 3.095 10.215 -2.515 1.00 0.00 C ATOM 1620 O ALA A 101 4.280 10.520 -2.625 1.00 0.00 O ATOM 1621 CB ALA A 101 2.253 9.091 -0.468 1.00 0.00 C ATOM 0 H ALA A 101 0.250 10.423 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 101 2.868 11.144 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.258 8.714 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.735 9.237 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.704 8.371 -1.074 1.00 0.00 H new ATOM 1627 N THR A 102 2.371 9.700 -3.510 1.00 0.00 N ATOM 1628 CA THR A 102 2.904 9.515 -4.849 1.00 0.00 C ATOM 1629 C THR A 102 3.505 10.791 -5.451 1.00 0.00 C ATOM 1630 O THR A 102 4.352 10.699 -6.337 1.00 0.00 O ATOM 1631 CB THR A 102 1.819 8.907 -5.741 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.631 9.675 -5.734 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.491 7.497 -5.250 1.00 0.00 C ATOM 0 H THR A 102 1.401 9.402 -3.405 1.00 0.00 H new ATOM 0 HA THR A 102 3.744 8.824 -4.783 1.00 0.00 H new ATOM 0 HB THR A 102 2.206 8.887 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.035 9.253 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.718 7.062 -5.884 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.388 6.879 -5.294 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.133 7.544 -4.222 1.00 0.00 H new ATOM 1641 N ASN A 103 3.076 11.965 -4.980 1.00 0.00 N ATOM 1642 CA ASN A 103 3.605 13.265 -5.378 1.00 0.00 C ATOM 1643 C ASN A 103 3.592 14.265 -4.202 1.00 0.00 C ATOM 1644 O ASN A 103 3.040 15.357 -4.343 1.00 0.00 O ATOM 1645 CB ASN A 103 2.770 13.754 -6.571 1.00 0.00 C ATOM 1646 CG ASN A 103 3.320 15.022 -7.219 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.527 15.207 -7.328 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.435 15.888 -7.708 1.00 0.00 N ATOM 0 H ASN A 103 2.328 12.035 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 103 4.651 13.179 -5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.723 12.964 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.749 13.939 -6.238 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.756 16.729 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.436 15.710 -7.604 1.00 0.00 H new ATOM 1655 N GLU A 104 4.173 13.891 -3.051 1.00 0.00 N ATOM 1656 CA GLU A 104 4.470 14.807 -1.944 1.00 0.00 C ATOM 1657 C GLU A 104 5.844 15.423 -2.233 1.00 0.00 C ATOM 1658 O GLU A 104 6.645 14.743 -2.916 1.00 0.00 O ATOM 1659 CB GLU A 104 4.506 14.075 -0.580 1.00 0.00 C ATOM 1660 CG GLU A 104 3.168 13.873 0.163 1.00 0.00 C ATOM 1661 CD GLU A 104 2.828 14.916 1.232 1.00 0.00 C ATOM 1662 OE1 GLU A 104 2.227 15.962 0.908 1.00 0.00 O ATOM 1663 OE2 GLU A 104 2.918 14.594 2.439 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.086 16.548 -1.742 1.00 0.00 O ATOM 0 H GLU A 104 4.453 12.928 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 104 3.689 15.564 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.953 13.094 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.175 14.628 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.365 13.862 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.182 12.890 0.634 1.00 0.00 H new