USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 667 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 SER OG : rot 180:sc= 0.0785 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl 178:sc= -3.38! (180deg=-3.67!) USER MOD Set 3.1: A 34 ASN : amide:sc= -5.76! C(o=-7!,f=-8!) USER MOD Set 3.2: A 43 ASN : amide:sc= -1.26 K(o=-7,f=-16!) USER MOD Set 4.1: A 27 SER OG : rot 60:sc= -1.04 USER MOD Set 4.2: A 45 LYS NZ :NH3+ 168:sc= 0.00775 (180deg=0) USER MOD Set 5.1: A 12 THR OG1 : rot -126:sc= -0.0753! USER MOD Set 5.2: A 15 HIS : no HD1:sc= -18! C(o=-18!,f=-36!) USER MOD Single : A 1 MET CE :methyl -144:sc= -0.395 (180deg=-3.02!) USER MOD Single : A 1 MET N :NH3+ -171:sc= -8.4! (180deg=-8.94!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -21.7! C(o=-22!,f=-14!) USER MOD Single : A 20 THR OG1 : rot 115:sc= -0.475! USER MOD Single : A 24 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.53) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 1.08 (180deg=0.0203) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -138:sc= -5.67! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= -10.7! (180deg=-11.7!) USER MOD Single : A 41 SER OG : rot -13:sc= 0.863! USER MOD Single : A 51 MET CE :methyl 165:sc= -3.06! (180deg=-4.1!) USER MOD Single : A 52 SER OG : rot -47:sc= 1.17 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 130:sc= -8.89! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 74 MET CE :methyl -118:sc= -4.71! (180deg=-8.95!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.494 -11.598 -7.572 1.00 1.00 N ATOM 2 CA MET A 1 -1.259 -11.986 -8.744 1.00 1.00 C ATOM 3 C MET A 1 -1.528 -10.780 -9.647 1.00 1.00 C ATOM 4 O MET A 1 -1.419 -10.878 -10.868 1.00 1.00 O ATOM 5 CB MET A 1 -2.589 -12.602 -8.305 1.00 1.00 C ATOM 6 CG MET A 1 -2.364 -13.740 -7.308 1.00 1.00 C ATOM 7 SD MET A 1 -3.458 -15.101 -7.677 1.00 1.00 S ATOM 8 CE MET A 1 -4.994 -14.216 -7.884 1.00 1.00 C ATOM 0 H1 MET A 1 -0.194 -12.450 -7.056 1.00 1.00 H new ATOM 0 H2 MET A 1 0.345 -11.059 -7.868 1.00 1.00 H new ATOM 0 H3 MET A 1 -1.084 -11.007 -6.952 1.00 1.00 H new ATOM 0 HA MET A 1 -0.679 -12.716 -9.308 1.00 1.00 H new ATOM 0 HB2 MET A 1 -3.217 -11.835 -7.851 1.00 1.00 H new ATOM 0 HB3 MET A 1 -3.125 -12.978 -9.177 1.00 1.00 H new ATOM 0 HG2 MET A 1 -1.327 -14.074 -7.353 1.00 1.00 H new ATOM 0 HG3 MET A 1 -2.541 -13.385 -6.293 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.816 -14.817 -7.495 1.00 1.00 H new ATOM 0 HE2 MET A 1 -4.946 -13.272 -7.341 1.00 1.00 H new ATOM 0 HE3 MET A 1 -5.160 -14.017 -8.943 1.00 1.00 H new ATOM 18 N GLU A 2 -1.874 -9.671 -9.011 1.00 1.00 N ATOM 19 CA GLU A 2 -2.160 -8.448 -9.742 1.00 1.00 C ATOM 20 C GLU A 2 -1.759 -7.227 -8.910 1.00 1.00 C ATOM 21 O GLU A 2 -1.430 -7.355 -7.732 1.00 1.00 O ATOM 22 CB GLU A 2 -3.635 -8.379 -10.141 1.00 1.00 C ATOM 23 CG GLU A 2 -4.095 -9.696 -10.769 1.00 1.00 C ATOM 24 CD GLU A 2 -5.518 -9.575 -11.317 1.00 1.00 C ATOM 25 OE1 GLU A 2 -5.698 -8.768 -12.255 1.00 1.00 O ATOM 26 OE2 GLU A 2 -6.394 -10.291 -10.786 1.00 1.00 O ATOM 0 H GLU A 2 -1.963 -9.593 -7.998 1.00 1.00 H new ATOM 0 HA GLU A 2 -1.570 -8.449 -10.659 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -4.243 -8.158 -9.264 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -3.787 -7.563 -10.847 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -3.415 -9.977 -11.573 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -4.055 -10.491 -10.025 1.00 1.00 H new ATOM 33 N LYS A 3 -1.801 -6.071 -9.557 1.00 1.00 N ATOM 34 CA LYS A 3 -1.446 -4.829 -8.892 1.00 1.00 C ATOM 35 C LYS A 3 -2.632 -3.864 -8.957 1.00 1.00 C ATOM 36 O LYS A 3 -3.426 -3.914 -9.895 1.00 1.00 O ATOM 37 CB LYS A 3 -0.154 -4.256 -9.478 1.00 1.00 C ATOM 38 CG LYS A 3 -0.421 -2.938 -10.208 1.00 1.00 C ATOM 39 CD LYS A 3 0.722 -2.603 -11.169 1.00 1.00 C ATOM 40 CE LYS A 3 0.818 -3.640 -12.290 1.00 1.00 C ATOM 41 NZ LYS A 3 0.830 -2.974 -13.612 1.00 1.00 N ATOM 0 H LYS A 3 -2.075 -5.969 -10.534 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.237 -5.008 -7.837 1.00 1.00 H new ATOM 0 HB2 LYS A 3 0.571 -4.094 -8.680 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.287 -4.975 -10.168 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.358 -3.008 -10.761 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -0.539 -2.133 -9.482 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.564 -1.613 -11.597 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.664 -2.566 -10.621 1.00 1.00 H new ATOM 0 HE2 LYS A 3 1.723 -4.234 -12.167 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.025 -4.328 -12.230 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.896 -3.692 -14.362 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.046 -2.426 -13.733 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 1.649 -2.335 -13.672 1.00 1.00 H new ATOM 55 N LYS A 4 -2.714 -3.008 -7.950 1.00 1.00 N ATOM 56 CA LYS A 4 -3.789 -2.033 -7.881 1.00 1.00 C ATOM 57 C LYS A 4 -3.205 -0.659 -7.544 1.00 1.00 C ATOM 58 O LYS A 4 -2.698 -0.450 -6.443 1.00 1.00 O ATOM 59 CB LYS A 4 -4.872 -2.497 -6.905 1.00 1.00 C ATOM 60 CG LYS A 4 -6.146 -1.664 -7.063 1.00 1.00 C ATOM 61 CD LYS A 4 -6.894 -2.044 -8.343 1.00 1.00 C ATOM 62 CE LYS A 4 -8.144 -1.181 -8.524 1.00 1.00 C ATOM 63 NZ LYS A 4 -8.920 -1.632 -9.701 1.00 1.00 N ATOM 0 H LYS A 4 -2.053 -2.969 -7.174 1.00 1.00 H new ATOM 0 HA LYS A 4 -4.283 -1.942 -8.849 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -5.097 -3.549 -7.079 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -4.504 -2.415 -5.882 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -6.794 -1.817 -6.200 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -5.891 -0.604 -7.087 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -6.236 -1.922 -9.203 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -7.176 -3.096 -8.305 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -8.764 -1.237 -7.629 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -7.857 -0.137 -8.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -9.765 -1.035 -9.809 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -8.331 -1.556 -10.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -9.210 -2.622 -9.567 1.00 1.00 H new ATOM 77 N GLU A 5 -3.297 0.241 -8.512 1.00 1.00 N ATOM 78 CA GLU A 5 -2.785 1.589 -8.331 1.00 1.00 C ATOM 79 C GLU A 5 -3.832 2.467 -7.645 1.00 1.00 C ATOM 80 O GLU A 5 -5.027 2.182 -7.711 1.00 1.00 O ATOM 81 CB GLU A 5 -2.352 2.194 -9.668 1.00 1.00 C ATOM 82 CG GLU A 5 -1.493 1.209 -10.464 1.00 1.00 C ATOM 83 CD GLU A 5 -2.286 0.604 -11.624 1.00 1.00 C ATOM 84 OE1 GLU A 5 -2.441 1.317 -12.639 1.00 1.00 O ATOM 85 OE2 GLU A 5 -2.720 -0.558 -11.469 1.00 1.00 O ATOM 0 H GLU A 5 -3.718 0.063 -9.424 1.00 1.00 H new ATOM 0 HA GLU A 5 -1.905 1.540 -7.690 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -3.232 2.467 -10.250 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -1.790 3.111 -9.491 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -0.610 1.719 -10.849 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -1.140 0.415 -9.806 1.00 1.00 H new ATOM 92 N PHE A 6 -3.346 3.518 -7.001 1.00 1.00 N ATOM 93 CA PHE A 6 -4.226 4.440 -6.302 1.00 1.00 C ATOM 94 C PHE A 6 -3.576 5.819 -6.163 1.00 1.00 C ATOM 95 O PHE A 6 -2.481 6.047 -6.675 1.00 1.00 O ATOM 96 CB PHE A 6 -4.466 3.860 -4.907 1.00 1.00 C ATOM 97 CG PHE A 6 -5.032 2.439 -4.913 1.00 1.00 C ATOM 98 CD1 PHE A 6 -4.190 1.371 -4.956 1.00 1.00 C ATOM 99 CD2 PHE A 6 -6.377 2.242 -4.877 1.00 1.00 C ATOM 100 CE1 PHE A 6 -4.715 0.052 -4.962 1.00 1.00 C ATOM 101 CE2 PHE A 6 -6.903 0.923 -4.883 1.00 1.00 C ATOM 102 CZ PHE A 6 -6.061 -0.144 -4.925 1.00 1.00 C ATOM 0 H PHE A 6 -2.355 3.752 -6.948 1.00 1.00 H new ATOM 0 HA PHE A 6 -5.156 4.560 -6.858 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -3.525 3.863 -4.357 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -5.153 4.512 -4.367 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.122 1.527 -4.986 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -7.046 3.089 -4.844 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.046 -0.795 -4.996 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -7.971 0.767 -4.854 1.00 1.00 H new ATOM 0 HZ PHE A 6 -6.461 -1.147 -4.929 1.00 1.00 H new ATOM 112 N HIS A 7 -4.279 6.701 -5.469 1.00 1.00 N ATOM 113 CA HIS A 7 -3.784 8.051 -5.257 1.00 1.00 C ATOM 114 C HIS A 7 -4.228 8.549 -3.880 1.00 1.00 C ATOM 115 O HIS A 7 -5.377 8.355 -3.486 1.00 1.00 O ATOM 116 CB HIS A 7 -4.225 8.977 -6.392 1.00 1.00 C ATOM 117 CG HIS A 7 -4.555 10.381 -5.947 1.00 1.00 C ATOM 118 ND1 HIS A 7 -4.033 11.505 -6.563 1.00 1.00 N ATOM 119 CD2 HIS A 7 -5.359 10.832 -4.942 1.00 1.00 C ATOM 120 CE1 HIS A 7 -4.507 12.578 -5.948 1.00 1.00 C ATOM 121 NE2 HIS A 7 -5.328 12.159 -4.943 1.00 1.00 N ATOM 0 H HIS A 7 -5.187 6.508 -5.046 1.00 1.00 H new ATOM 0 HA HIS A 7 -2.694 8.049 -5.271 1.00 1.00 H new ATOM 0 HB2 HIS A 7 -3.433 9.021 -7.140 1.00 1.00 H new ATOM 0 HB3 HIS A 7 -5.100 8.546 -6.879 1.00 1.00 H new ATOM 0 HD2 HIS A 7 -5.925 10.214 -4.261 1.00 1.00 H new ATOM 0 HE1 HIS A 7 -4.283 13.604 -6.198 1.00 1.00 H new ATOM 0 HE2 HIS A 7 -5.835 12.765 -4.298 1.00 1.00 H new ATOM 129 N ILE A 8 -3.293 9.182 -3.186 1.00 1.00 N ATOM 130 CA ILE A 8 -3.573 9.710 -1.861 1.00 1.00 C ATOM 131 C ILE A 8 -4.628 10.813 -1.969 1.00 1.00 C ATOM 132 O ILE A 8 -4.445 11.782 -2.704 1.00 1.00 O ATOM 133 CB ILE A 8 -2.280 10.160 -1.179 1.00 1.00 C ATOM 134 CG1 ILE A 8 -1.276 9.009 -1.093 1.00 1.00 C ATOM 135 CG2 ILE A 8 -2.568 10.774 0.192 1.00 1.00 C ATOM 136 CD1 ILE A 8 -1.993 7.658 -1.051 1.00 1.00 C ATOM 0 H ILE A 8 -2.341 9.341 -3.516 1.00 1.00 H new ATOM 0 HA ILE A 8 -3.989 8.932 -1.221 1.00 1.00 H new ATOM 0 HB ILE A 8 -1.825 10.939 -1.791 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -0.605 9.042 -1.951 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -0.659 9.125 -0.202 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -1.632 11.085 0.655 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.220 11.640 0.073 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.058 10.035 0.826 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -1.256 6.857 -0.990 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -2.645 7.619 -0.178 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.589 7.534 -1.955 1.00 1.00 H new ATOM 148 N VAL A 9 -5.709 10.628 -1.225 1.00 1.00 N ATOM 149 CA VAL A 9 -6.793 11.596 -1.228 1.00 1.00 C ATOM 150 C VAL A 9 -7.009 12.117 0.194 1.00 1.00 C ATOM 151 O VAL A 9 -7.911 12.919 0.435 1.00 1.00 O ATOM 152 CB VAL A 9 -8.052 10.970 -1.832 1.00 1.00 C ATOM 153 CG1 VAL A 9 -7.893 10.767 -3.341 1.00 1.00 C ATOM 154 CG2 VAL A 9 -8.398 9.653 -1.135 1.00 1.00 C ATOM 0 H VAL A 9 -5.857 9.823 -0.617 1.00 1.00 H new ATOM 0 HA VAL A 9 -6.539 12.452 -1.854 1.00 1.00 H new ATOM 0 HB VAL A 9 -8.880 11.661 -1.672 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -8.801 10.321 -3.746 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -7.716 11.730 -3.821 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -7.048 10.106 -3.532 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -9.297 9.229 -1.583 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -7.571 8.953 -1.249 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -8.574 9.837 -0.075 1.00 1.00 H new ATOM 164 N ALA A 10 -6.167 11.641 1.099 1.00 1.00 N ATOM 165 CA ALA A 10 -6.254 12.050 2.491 1.00 1.00 C ATOM 166 C ALA A 10 -5.442 13.330 2.694 1.00 1.00 C ATOM 167 O ALA A 10 -5.606 14.021 3.698 1.00 1.00 O ATOM 168 CB ALA A 10 -5.777 10.907 3.389 1.00 1.00 C ATOM 0 H ALA A 10 -5.421 10.976 0.896 1.00 1.00 H new ATOM 0 HA ALA A 10 -7.286 12.269 2.763 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -5.842 11.213 4.433 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -6.406 10.031 3.228 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -4.743 10.661 3.147 1.00 1.00 H new ATOM 174 N GLU A 11 -4.582 13.607 1.725 1.00 1.00 N ATOM 175 CA GLU A 11 -3.743 14.792 1.785 1.00 1.00 C ATOM 176 C GLU A 11 -3.109 14.923 3.171 1.00 1.00 C ATOM 177 O GLU A 11 -2.604 15.987 3.528 1.00 1.00 O ATOM 178 CB GLU A 11 -4.541 16.047 1.426 1.00 1.00 C ATOM 179 CG GLU A 11 -5.522 16.411 2.542 1.00 1.00 C ATOM 180 CD GLU A 11 -6.072 17.826 2.348 1.00 1.00 C ATOM 181 OE1 GLU A 11 -5.355 18.772 2.738 1.00 1.00 O ATOM 182 OE2 GLU A 11 -7.198 17.928 1.815 1.00 1.00 O ATOM 0 H GLU A 11 -4.448 13.031 0.894 1.00 1.00 H new ATOM 0 HA GLU A 11 -2.945 14.686 1.050 1.00 1.00 H new ATOM 0 HB2 GLU A 11 -3.858 16.879 1.251 1.00 1.00 H new ATOM 0 HB3 GLU A 11 -5.087 15.882 0.497 1.00 1.00 H new ATOM 0 HG2 GLU A 11 -6.345 15.696 2.556 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.022 16.340 3.508 1.00 1.00 H new ATOM 189 N THR A 12 -3.155 13.828 3.914 1.00 1.00 N ATOM 190 CA THR A 12 -2.591 13.807 5.253 1.00 1.00 C ATOM 191 C THR A 12 -1.067 13.927 5.192 1.00 1.00 C ATOM 192 O THR A 12 -0.488 14.840 5.780 1.00 1.00 O ATOM 193 CB THR A 12 -3.073 12.533 5.950 1.00 1.00 C ATOM 194 OG1 THR A 12 -2.780 12.758 7.326 1.00 1.00 O ATOM 195 CG2 THR A 12 -2.228 11.311 5.584 1.00 1.00 C ATOM 0 H THR A 12 -3.574 12.948 3.614 1.00 1.00 H new ATOM 0 HA THR A 12 -2.930 14.662 5.838 1.00 1.00 H new ATOM 0 HB THR A 12 -4.114 12.347 5.687 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.243 12.015 7.672 1.00 1.00 H new ATOM 0 HG21 THR A 12 -2.612 10.434 6.105 1.00 1.00 H new ATOM 0 HG22 THR A 12 -2.277 11.144 4.508 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.193 11.483 5.878 1.00 1.00 H new ATOM 203 N GLY A 13 -0.460 12.993 4.475 1.00 1.00 N ATOM 204 CA GLY A 13 0.985 12.982 4.330 1.00 1.00 C ATOM 205 C GLY A 13 1.543 11.568 4.499 1.00 1.00 C ATOM 206 O GLY A 13 2.752 11.385 4.635 1.00 1.00 O ATOM 0 H GLY A 13 -0.943 12.238 3.988 1.00 1.00 H new ATOM 0 HA2 GLY A 13 1.258 13.370 3.349 1.00 1.00 H new ATOM 0 HA3 GLY A 13 1.433 13.644 5.071 1.00 1.00 H new ATOM 210 N ILE A 14 0.636 10.602 4.487 1.00 1.00 N ATOM 211 CA ILE A 14 1.022 9.210 4.638 1.00 1.00 C ATOM 212 C ILE A 14 2.053 9.090 5.763 1.00 1.00 C ATOM 213 O ILE A 14 3.219 8.789 5.511 1.00 1.00 O ATOM 214 CB ILE A 14 1.500 8.639 3.302 1.00 1.00 C ATOM 215 CG1 ILE A 14 0.343 8.526 2.308 1.00 1.00 C ATOM 216 CG2 ILE A 14 2.216 7.301 3.502 1.00 1.00 C ATOM 217 CD1 ILE A 14 -0.784 9.498 2.666 1.00 1.00 C ATOM 0 H ILE A 14 -0.366 10.757 4.375 1.00 1.00 H new ATOM 0 HA ILE A 14 0.162 8.605 4.927 1.00 1.00 H new ATOM 0 HB ILE A 14 2.225 9.332 2.875 1.00 1.00 H new ATOM 0 HG12 ILE A 14 0.703 8.735 1.301 1.00 1.00 H new ATOM 0 HG13 ILE A 14 -0.040 7.505 2.304 1.00 1.00 H new ATOM 0 HG21 ILE A 14 2.546 6.917 2.537 1.00 1.00 H new ATOM 0 HG22 ILE A 14 3.081 7.444 4.150 1.00 1.00 H new ATOM 0 HG23 ILE A 14 1.532 6.588 3.962 1.00 1.00 H new ATOM 0 HD11 ILE A 14 -1.594 9.398 1.944 1.00 1.00 H new ATOM 0 HD12 ILE A 14 -1.157 9.270 3.664 1.00 1.00 H new ATOM 0 HD13 ILE A 14 -0.404 10.519 2.645 1.00 1.00 H new ATOM 229 N HIS A 15 1.586 9.333 6.978 1.00 1.00 N ATOM 230 CA HIS A 15 2.453 9.256 8.142 1.00 1.00 C ATOM 231 C HIS A 15 2.282 7.895 8.820 1.00 1.00 C ATOM 232 O HIS A 15 1.459 7.085 8.397 1.00 1.00 O ATOM 233 CB HIS A 15 2.194 10.428 9.091 1.00 1.00 C ATOM 234 CG HIS A 15 0.752 10.874 9.137 1.00 1.00 C ATOM 235 ND1 HIS A 15 -0.162 10.365 10.042 1.00 1.00 N ATOM 236 CD2 HIS A 15 0.077 11.786 8.380 1.00 1.00 C ATOM 237 CE1 HIS A 15 -1.332 10.951 9.831 1.00 1.00 C ATOM 238 NE2 HIS A 15 -1.181 11.831 8.800 1.00 1.00 N ATOM 0 H HIS A 15 0.619 9.583 7.182 1.00 1.00 H new ATOM 0 HA HIS A 15 3.494 9.340 7.831 1.00 1.00 H new ATOM 0 HB2 HIS A 15 2.508 10.145 10.096 1.00 1.00 H new ATOM 0 HB3 HIS A 15 2.815 11.271 8.788 1.00 1.00 H new ATOM 0 HD2 HIS A 15 0.495 12.372 7.575 1.00 1.00 H new ATOM 0 HE1 HIS A 15 -2.244 10.765 10.379 1.00 1.00 H new ATOM 0 HE2 HIS A 15 -1.915 12.426 8.415 1.00 1.00 H new ATOM 246 N ALA A 16 3.074 7.685 9.862 1.00 1.00 N ATOM 247 CA ALA A 16 3.021 6.437 10.603 1.00 1.00 C ATOM 248 C ALA A 16 1.562 6.003 10.759 1.00 1.00 C ATOM 249 O ALA A 16 1.259 4.811 10.737 1.00 1.00 O ATOM 250 CB ALA A 16 3.725 6.611 11.950 1.00 1.00 C ATOM 0 H ALA A 16 3.756 8.359 10.210 1.00 1.00 H new ATOM 0 HA ALA A 16 3.544 5.648 10.062 1.00 1.00 H new ATOM 0 HB1 ALA A 16 3.685 5.674 12.505 1.00 1.00 H new ATOM 0 HB2 ALA A 16 4.766 6.890 11.783 1.00 1.00 H new ATOM 0 HB3 ALA A 16 3.227 7.394 12.522 1.00 1.00 H new ATOM 256 N ARG A 17 0.697 6.994 10.914 1.00 1.00 N ATOM 257 CA ARG A 17 -0.723 6.730 11.074 1.00 1.00 C ATOM 258 C ARG A 17 -1.298 6.123 9.792 1.00 1.00 C ATOM 259 O ARG A 17 -1.609 4.934 9.749 1.00 1.00 O ATOM 260 CB ARG A 17 -1.487 8.012 11.410 1.00 1.00 C ATOM 261 CG ARG A 17 -1.717 8.134 12.918 1.00 1.00 C ATOM 262 CD ARG A 17 -0.387 8.244 13.668 1.00 1.00 C ATOM 263 NE ARG A 17 -0.137 9.651 14.050 1.00 1.00 N ATOM 264 CZ ARG A 17 0.641 10.024 15.076 1.00 1.00 C ATOM 265 NH1 ARG A 17 1.249 9.096 15.827 1.00 1.00 N ATOM 266 NH2 ARG A 17 0.811 11.325 15.350 1.00 1.00 N ATOM 0 H ARG A 17 0.952 7.981 10.932 1.00 1.00 H new ATOM 0 HA ARG A 17 -0.838 6.025 11.897 1.00 1.00 H new ATOM 0 HB2 ARG A 17 -0.928 8.877 11.053 1.00 1.00 H new ATOM 0 HB3 ARG A 17 -2.445 8.015 10.891 1.00 1.00 H new ATOM 0 HG2 ARG A 17 -2.330 9.011 13.126 1.00 1.00 H new ATOM 0 HG3 ARG A 17 -2.270 7.266 13.277 1.00 1.00 H new ATOM 0 HD2 ARG A 17 -0.409 7.615 14.558 1.00 1.00 H new ATOM 0 HD3 ARG A 17 0.426 7.879 13.040 1.00 1.00 H new ATOM 0 HE ARG A 17 -0.584 10.383 13.498 1.00 1.00 H new ATOM 0 HH11 ARG A 17 1.120 8.106 15.618 1.00 1.00 H new ATOM 0 HH12 ARG A 17 1.841 9.379 16.608 1.00 1.00 H new ATOM 0 HH21 ARG A 17 0.348 12.031 14.778 1.00 1.00 H new ATOM 0 HH22 ARG A 17 1.403 11.609 16.131 1.00 1.00 H new ATOM 280 N PRO A 18 -1.425 6.991 8.752 1.00 1.00 N ATOM 281 CA PRO A 18 -1.957 6.553 7.473 1.00 1.00 C ATOM 282 C PRO A 18 -0.924 5.727 6.703 1.00 1.00 C ATOM 283 O PRO A 18 -1.283 4.825 5.948 1.00 1.00 O ATOM 284 CB PRO A 18 -2.352 7.832 6.753 1.00 1.00 C ATOM 285 CG PRO A 18 -1.604 8.953 7.455 1.00 1.00 C ATOM 286 CD PRO A 18 -1.067 8.406 8.767 1.00 1.00 C ATOM 0 HA PRO A 18 -2.816 5.890 7.579 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -2.084 7.785 5.698 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -3.429 7.991 6.802 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -0.788 9.317 6.831 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -2.267 9.799 7.637 1.00 1.00 H new ATOM 0 HD2 PRO A 18 0.012 8.541 8.840 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -1.511 8.918 9.621 1.00 1.00 H new ATOM 294 N ALA A 19 0.338 6.066 6.922 1.00 1.00 N ATOM 295 CA ALA A 19 1.426 5.367 6.258 1.00 1.00 C ATOM 296 C ALA A 19 1.334 3.873 6.574 1.00 1.00 C ATOM 297 O ALA A 19 1.314 3.043 5.666 1.00 1.00 O ATOM 298 CB ALA A 19 2.762 5.974 6.690 1.00 1.00 C ATOM 0 H ALA A 19 0.632 6.815 7.549 1.00 1.00 H new ATOM 0 HA ALA A 19 1.352 5.480 5.176 1.00 1.00 H new ATOM 0 HB1 ALA A 19 3.578 5.450 6.192 1.00 1.00 H new ATOM 0 HB2 ALA A 19 2.788 7.029 6.416 1.00 1.00 H new ATOM 0 HB3 ALA A 19 2.874 5.877 7.770 1.00 1.00 H new ATOM 304 N THR A 20 1.281 3.576 7.864 1.00 1.00 N ATOM 305 CA THR A 20 1.193 2.196 8.311 1.00 1.00 C ATOM 306 C THR A 20 -0.199 1.630 8.022 1.00 1.00 C ATOM 307 O THR A 20 -0.340 0.451 7.702 1.00 1.00 O ATOM 308 CB THR A 20 1.571 2.154 9.793 1.00 1.00 C ATOM 309 OG1 THR A 20 2.405 3.295 9.971 1.00 1.00 O ATOM 310 CG2 THR A 20 2.479 0.970 10.132 1.00 1.00 C ATOM 0 H THR A 20 1.297 4.267 8.614 1.00 1.00 H new ATOM 0 HA THR A 20 1.888 1.558 7.766 1.00 1.00 H new ATOM 0 HB THR A 20 0.666 2.101 10.397 1.00 1.00 H new ATOM 0 HG1 THR A 20 1.965 3.931 10.572 1.00 1.00 H new ATOM 0 HG21 THR A 20 2.717 0.987 11.195 1.00 1.00 H new ATOM 0 HG22 THR A 20 1.968 0.038 9.890 1.00 1.00 H new ATOM 0 HG23 THR A 20 3.400 1.040 9.553 1.00 1.00 H new ATOM 318 N LEU A 21 -1.192 2.498 8.145 1.00 1.00 N ATOM 319 CA LEU A 21 -2.569 2.100 7.901 1.00 1.00 C ATOM 320 C LEU A 21 -2.617 1.163 6.692 1.00 1.00 C ATOM 321 O LEU A 21 -3.190 0.077 6.766 1.00 1.00 O ATOM 322 CB LEU A 21 -3.466 3.331 7.762 1.00 1.00 C ATOM 323 CG LEU A 21 -4.963 3.098 7.975 1.00 1.00 C ATOM 324 CD1 LEU A 21 -5.763 4.369 7.687 1.00 1.00 C ATOM 325 CD2 LEU A 21 -5.456 1.910 7.147 1.00 1.00 C ATOM 0 H LEU A 21 -1.071 3.475 8.410 1.00 1.00 H new ATOM 0 HA LEU A 21 -2.962 1.544 8.752 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -3.130 4.083 8.476 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -3.322 3.750 6.766 1.00 1.00 H new ATOM 0 HG LEU A 21 -5.124 2.848 9.024 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -6.824 4.175 7.846 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -5.435 5.165 8.356 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -5.601 4.674 6.653 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -6.523 1.766 7.317 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -5.280 2.106 6.089 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -4.917 1.011 7.444 1.00 1.00 H new ATOM 337 N LEU A 22 -2.009 1.618 5.607 1.00 1.00 N ATOM 338 CA LEU A 22 -1.976 0.835 4.384 1.00 1.00 C ATOM 339 C LEU A 22 -0.995 -0.328 4.554 1.00 1.00 C ATOM 340 O LEU A 22 -1.344 -1.480 4.302 1.00 1.00 O ATOM 341 CB LEU A 22 -1.666 1.730 3.182 1.00 1.00 C ATOM 342 CG LEU A 22 -0.491 2.695 3.350 1.00 1.00 C ATOM 343 CD1 LEU A 22 0.670 2.312 2.430 1.00 1.00 C ATOM 344 CD2 LEU A 22 -0.936 4.143 3.139 1.00 1.00 C ATOM 0 H LEU A 22 -1.535 2.519 5.549 1.00 1.00 H new ATOM 0 HA LEU A 22 -2.955 0.400 4.184 1.00 1.00 H new ATOM 0 HB2 LEU A 22 -1.466 1.092 2.321 1.00 1.00 H new ATOM 0 HB3 LEU A 22 -2.558 2.312 2.948 1.00 1.00 H new ATOM 0 HG LEU A 22 -0.129 2.616 4.375 1.00 1.00 H new ATOM 0 HD11 LEU A 22 1.492 3.014 2.570 1.00 1.00 H new ATOM 0 HD12 LEU A 22 1.009 1.304 2.672 1.00 1.00 H new ATOM 0 HD13 LEU A 22 0.338 2.344 1.392 1.00 1.00 H new ATOM 0 HD21 LEU A 22 -0.082 4.808 3.264 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -1.340 4.257 2.133 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -1.704 4.398 3.869 1.00 1.00 H new ATOM 356 N VAL A 23 0.211 0.016 4.980 1.00 1.00 N ATOM 357 CA VAL A 23 1.244 -0.985 5.187 1.00 1.00 C ATOM 358 C VAL A 23 0.743 -2.031 6.185 1.00 1.00 C ATOM 359 O VAL A 23 0.912 -3.230 5.970 1.00 1.00 O ATOM 360 CB VAL A 23 2.544 -0.311 5.631 1.00 1.00 C ATOM 361 CG1 VAL A 23 2.612 1.133 5.129 1.00 1.00 C ATOM 362 CG2 VAL A 23 2.702 -0.371 7.151 1.00 1.00 C ATOM 0 H VAL A 23 0.496 0.973 5.187 1.00 1.00 H new ATOM 0 HA VAL A 23 1.464 -1.505 4.254 1.00 1.00 H new ATOM 0 HB VAL A 23 3.374 -0.860 5.187 1.00 1.00 H new ATOM 0 HG11 VAL A 23 3.546 1.589 5.458 1.00 1.00 H new ATOM 0 HG12 VAL A 23 2.568 1.142 4.040 1.00 1.00 H new ATOM 0 HG13 VAL A 23 1.771 1.698 5.531 1.00 1.00 H new ATOM 0 HG21 VAL A 23 3.634 0.115 7.439 1.00 1.00 H new ATOM 0 HG22 VAL A 23 1.864 0.141 7.624 1.00 1.00 H new ATOM 0 HG23 VAL A 23 2.721 -1.412 7.474 1.00 1.00 H new ATOM 372 N GLN A 24 0.136 -1.538 7.255 1.00 1.00 N ATOM 373 CA GLN A 24 -0.391 -2.415 8.287 1.00 1.00 C ATOM 374 C GLN A 24 -1.418 -3.380 7.690 1.00 1.00 C ATOM 375 O GLN A 24 -1.460 -4.553 8.057 1.00 1.00 O ATOM 376 CB GLN A 24 -1.000 -1.608 9.434 1.00 1.00 C ATOM 377 CG GLN A 24 -2.288 -0.911 8.991 1.00 1.00 C ATOM 378 CD GLN A 24 -3.201 -0.634 10.188 1.00 1.00 C ATOM 379 OE1 GLN A 24 -2.914 0.186 11.044 1.00 1.00 O ATOM 380 NE2 GLN A 24 -4.314 -1.362 10.199 1.00 1.00 N ATOM 0 H GLN A 24 -0.003 -0.543 7.429 1.00 1.00 H new ATOM 0 HA GLN A 24 0.434 -2.999 8.695 1.00 1.00 H new ATOM 0 HB2 GLN A 24 -1.210 -2.268 10.276 1.00 1.00 H new ATOM 0 HB3 GLN A 24 -0.282 -0.866 9.782 1.00 1.00 H new ATOM 0 HG2 GLN A 24 -2.045 0.026 8.490 1.00 1.00 H new ATOM 0 HG3 GLN A 24 -2.812 -1.534 8.266 1.00 1.00 H new ATOM 0 HE21 GLN A 24 -4.493 -2.031 9.450 1.00 1.00 H new ATOM 0 HE22 GLN A 24 -4.989 -1.251 10.956 1.00 1.00 H new ATOM 389 N THR A 25 -2.220 -2.850 6.778 1.00 1.00 N ATOM 390 CA THR A 25 -3.244 -3.649 6.127 1.00 1.00 C ATOM 391 C THR A 25 -2.652 -4.404 4.935 1.00 1.00 C ATOM 392 O THR A 25 -3.136 -5.475 4.572 1.00 1.00 O ATOM 393 CB THR A 25 -4.398 -2.720 5.746 1.00 1.00 C ATOM 394 OG1 THR A 25 -5.424 -3.039 6.681 1.00 1.00 O ATOM 395 CG2 THR A 25 -5.008 -3.071 4.387 1.00 1.00 C ATOM 0 H THR A 25 -2.181 -1.877 6.475 1.00 1.00 H new ATOM 0 HA THR A 25 -3.634 -4.416 6.797 1.00 1.00 H new ATOM 0 HB THR A 25 -4.044 -1.689 5.729 1.00 1.00 H new ATOM 0 HG1 THR A 25 -6.210 -2.481 6.507 1.00 1.00 H new ATOM 0 HG21 THR A 25 -5.822 -2.381 4.165 1.00 1.00 H new ATOM 0 HG22 THR A 25 -4.244 -2.991 3.614 1.00 1.00 H new ATOM 0 HG23 THR A 25 -5.393 -4.091 4.413 1.00 1.00 H new ATOM 403 N ALA A 26 -1.614 -3.816 4.359 1.00 1.00 N ATOM 404 CA ALA A 26 -0.952 -4.420 3.215 1.00 1.00 C ATOM 405 C ALA A 26 0.068 -5.449 3.707 1.00 1.00 C ATOM 406 O ALA A 26 0.267 -6.484 3.072 1.00 1.00 O ATOM 407 CB ALA A 26 -0.310 -3.325 2.360 1.00 1.00 C ATOM 0 H ALA A 26 -1.215 -2.928 4.663 1.00 1.00 H new ATOM 0 HA ALA A 26 -1.672 -4.944 2.587 1.00 1.00 H new ATOM 0 HB1 ALA A 26 0.187 -3.778 1.502 1.00 1.00 H new ATOM 0 HB2 ALA A 26 -1.080 -2.637 2.012 1.00 1.00 H new ATOM 0 HB3 ALA A 26 0.421 -2.780 2.956 1.00 1.00 H new ATOM 413 N SER A 27 0.689 -5.128 4.833 1.00 1.00 N ATOM 414 CA SER A 27 1.684 -6.012 5.417 1.00 1.00 C ATOM 415 C SER A 27 1.019 -6.961 6.416 1.00 1.00 C ATOM 416 O SER A 27 1.524 -7.159 7.520 1.00 1.00 O ATOM 417 CB SER A 27 2.795 -5.214 6.102 1.00 1.00 C ATOM 418 OG SER A 27 4.079 -5.793 5.886 1.00 1.00 O ATOM 0 H SER A 27 0.522 -4.268 5.356 1.00 1.00 H new ATOM 0 HA SER A 27 2.135 -6.597 4.615 1.00 1.00 H new ATOM 0 HB2 SER A 27 2.791 -4.191 5.726 1.00 1.00 H new ATOM 0 HB3 SER A 27 2.596 -5.161 7.172 1.00 1.00 H new ATOM 0 HG SER A 27 4.268 -5.820 4.925 1.00 1.00 H new ATOM 424 N LYS A 28 -0.105 -7.522 5.993 1.00 1.00 N ATOM 425 CA LYS A 28 -0.844 -8.445 6.837 1.00 1.00 C ATOM 426 C LYS A 28 -1.568 -9.466 5.956 1.00 1.00 C ATOM 427 O LYS A 28 -2.536 -10.089 6.390 1.00 1.00 O ATOM 428 CB LYS A 28 -1.773 -7.681 7.782 1.00 1.00 C ATOM 429 CG LYS A 28 -2.648 -6.691 7.010 1.00 1.00 C ATOM 430 CD LYS A 28 -3.820 -7.406 6.336 1.00 1.00 C ATOM 431 CE LYS A 28 -4.813 -7.931 7.374 1.00 1.00 C ATOM 432 NZ LYS A 28 -4.781 -9.410 7.421 1.00 1.00 N ATOM 0 H LYS A 28 -0.521 -7.355 5.077 1.00 1.00 H new ATOM 0 HA LYS A 28 -0.162 -9.003 7.479 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.405 -8.385 8.324 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -1.182 -7.146 8.525 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.026 -5.927 7.690 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -2.048 -6.180 6.257 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -4.327 -6.720 5.657 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -3.447 -8.234 5.733 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.570 -7.525 8.356 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -5.819 -7.591 7.128 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.919 -9.729 8.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -5.540 -9.793 6.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.861 -9.749 7.073 1.00 1.00 H new ATOM 446 N PHE A 29 -1.070 -9.606 4.736 1.00 1.00 N ATOM 447 CA PHE A 29 -1.657 -10.541 3.792 1.00 1.00 C ATOM 448 C PHE A 29 -0.651 -11.623 3.394 1.00 1.00 C ATOM 449 O PHE A 29 0.518 -11.330 3.152 1.00 1.00 O ATOM 450 CB PHE A 29 -2.042 -9.737 2.548 1.00 1.00 C ATOM 451 CG PHE A 29 -3.033 -8.605 2.821 1.00 1.00 C ATOM 452 CD1 PHE A 29 -4.067 -8.799 3.684 1.00 1.00 C ATOM 453 CD2 PHE A 29 -2.882 -7.404 2.201 1.00 1.00 C ATOM 454 CE1 PHE A 29 -4.987 -7.748 3.937 1.00 1.00 C ATOM 455 CE2 PHE A 29 -3.802 -6.352 2.455 1.00 1.00 C ATOM 456 CZ PHE A 29 -4.835 -6.547 3.317 1.00 1.00 C ATOM 0 H PHE A 29 -0.267 -9.088 4.380 1.00 1.00 H new ATOM 0 HA PHE A 29 -2.519 -11.033 4.242 1.00 1.00 H new ATOM 0 HB2 PHE A 29 -1.139 -9.317 2.106 1.00 1.00 H new ATOM 0 HB3 PHE A 29 -2.473 -10.413 1.810 1.00 1.00 H new ATOM 0 HD1 PHE A 29 -4.188 -9.753 4.176 1.00 1.00 H new ATOM 0 HD2 PHE A 29 -2.062 -7.250 1.515 1.00 1.00 H new ATOM 0 HE1 PHE A 29 -5.808 -7.902 4.622 1.00 1.00 H new ATOM 0 HE2 PHE A 29 -3.681 -5.398 1.964 1.00 1.00 H new ATOM 0 HZ PHE A 29 -5.535 -5.748 3.510 1.00 1.00 H new ATOM 466 N ASN A 30 -1.143 -12.852 3.339 1.00 1.00 N ATOM 467 CA ASN A 30 -0.302 -13.979 2.976 1.00 1.00 C ATOM 468 C ASN A 30 0.201 -13.793 1.543 1.00 1.00 C ATOM 469 O ASN A 30 1.018 -14.577 1.061 1.00 1.00 O ATOM 470 CB ASN A 30 -1.085 -15.292 3.034 1.00 1.00 C ATOM 471 CG ASN A 30 -1.132 -15.840 4.462 1.00 1.00 C ATOM 472 OD1 ASN A 30 -0.164 -16.366 4.985 1.00 1.00 O ATOM 473 ND2 ASN A 30 -2.310 -15.687 5.062 1.00 1.00 N ATOM 0 H ASN A 30 -2.114 -13.092 3.540 1.00 1.00 H new ATOM 0 HA ASN A 30 0.527 -14.022 3.682 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -2.099 -15.131 2.669 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -0.621 -16.025 2.374 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -2.443 -16.019 6.017 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -3.080 -15.237 4.567 1.00 1.00 H new ATOM 480 N SER A 31 -0.307 -12.751 0.902 1.00 1.00 N ATOM 481 CA SER A 31 0.082 -12.451 -0.466 1.00 1.00 C ATOM 482 C SER A 31 1.162 -11.368 -0.478 1.00 1.00 C ATOM 483 O SER A 31 1.499 -10.810 0.565 1.00 1.00 O ATOM 484 CB SER A 31 -1.125 -12.007 -1.296 1.00 1.00 C ATOM 485 OG SER A 31 -1.562 -13.027 -2.190 1.00 1.00 O ATOM 0 H SER A 31 -0.985 -12.104 1.304 1.00 1.00 H new ATOM 0 HA SER A 31 0.484 -13.360 -0.915 1.00 1.00 H new ATOM 0 HB2 SER A 31 -1.943 -11.734 -0.629 1.00 1.00 H new ATOM 0 HB3 SER A 31 -0.866 -11.114 -1.864 1.00 1.00 H new ATOM 0 HG SER A 31 -1.782 -12.629 -3.058 1.00 1.00 H new ATOM 491 N ASP A 32 1.676 -11.103 -1.670 1.00 1.00 N ATOM 492 CA ASP A 32 2.711 -10.097 -1.832 1.00 1.00 C ATOM 493 C ASP A 32 2.067 -8.767 -2.228 1.00 1.00 C ATOM 494 O ASP A 32 1.848 -8.507 -3.410 1.00 1.00 O ATOM 495 CB ASP A 32 3.696 -10.492 -2.935 1.00 1.00 C ATOM 496 CG ASP A 32 5.044 -11.019 -2.440 1.00 1.00 C ATOM 497 OD1 ASP A 32 5.227 -11.037 -1.203 1.00 1.00 O ATOM 498 OD2 ASP A 32 5.861 -11.394 -3.309 1.00 1.00 O ATOM 0 H ASP A 32 1.395 -11.568 -2.533 1.00 1.00 H new ATOM 0 HA ASP A 32 3.245 -10.008 -0.886 1.00 1.00 H new ATOM 0 HB2 ASP A 32 3.232 -11.255 -3.560 1.00 1.00 H new ATOM 0 HB3 ASP A 32 3.873 -9.624 -3.571 1.00 1.00 H new ATOM 503 N ILE A 33 1.781 -7.960 -1.216 1.00 1.00 N ATOM 504 CA ILE A 33 1.166 -6.664 -1.444 1.00 1.00 C ATOM 505 C ILE A 33 2.144 -5.561 -1.033 1.00 1.00 C ATOM 506 O ILE A 33 2.665 -5.572 0.081 1.00 1.00 O ATOM 507 CB ILE A 33 -0.187 -6.581 -0.734 1.00 1.00 C ATOM 508 CG1 ILE A 33 -0.981 -5.362 -1.209 1.00 1.00 C ATOM 509 CG2 ILE A 33 -0.011 -6.594 0.786 1.00 1.00 C ATOM 510 CD1 ILE A 33 -0.735 -4.158 -0.297 1.00 1.00 C ATOM 0 H ILE A 33 1.964 -8.179 -0.237 1.00 1.00 H new ATOM 0 HA ILE A 33 0.954 -6.524 -2.504 1.00 1.00 H new ATOM 0 HB ILE A 33 -0.766 -7.466 -0.998 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -0.695 -5.113 -2.231 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -2.045 -5.600 -1.224 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.988 -6.534 1.266 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.485 -7.517 1.087 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.595 -5.741 1.089 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -1.311 -3.305 -0.657 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -1.044 -4.402 0.719 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.326 -3.908 -0.303 1.00 1.00 H new ATOM 522 N ASN A 34 2.363 -4.636 -1.956 1.00 1.00 N ATOM 523 CA ASN A 34 3.270 -3.528 -1.704 1.00 1.00 C ATOM 524 C ASN A 34 2.656 -2.238 -2.252 1.00 1.00 C ATOM 525 O ASN A 34 1.589 -2.265 -2.864 1.00 1.00 O ATOM 526 CB ASN A 34 4.613 -3.746 -2.402 1.00 1.00 C ATOM 527 CG ASN A 34 5.240 -5.077 -1.982 1.00 1.00 C ATOM 528 OD1 ASN A 34 4.819 -5.720 -1.034 1.00 1.00 O ATOM 529 ND2 ASN A 34 6.268 -5.454 -2.737 1.00 1.00 N ATOM 0 H ASN A 34 1.929 -4.631 -2.879 1.00 1.00 H new ATOM 0 HA ASN A 34 3.430 -3.461 -0.628 1.00 1.00 H new ATOM 0 HB2 ASN A 34 4.472 -3.732 -3.483 1.00 1.00 H new ATOM 0 HB3 ASN A 34 5.291 -2.928 -2.158 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.754 -6.328 -2.537 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.570 -4.869 -3.516 1.00 1.00 H new ATOM 536 N LEU A 35 3.356 -1.139 -2.012 1.00 1.00 N ATOM 537 CA LEU A 35 2.894 0.159 -2.474 1.00 1.00 C ATOM 538 C LEU A 35 3.922 0.747 -3.442 1.00 1.00 C ATOM 539 O LEU A 35 5.126 0.577 -3.253 1.00 1.00 O ATOM 540 CB LEU A 35 2.577 1.069 -1.285 1.00 1.00 C ATOM 541 CG LEU A 35 3.549 2.227 -1.050 1.00 1.00 C ATOM 542 CD1 LEU A 35 3.592 3.161 -2.261 1.00 1.00 C ATOM 543 CD2 LEU A 35 3.207 2.976 0.239 1.00 1.00 C ATOM 0 H LEU A 35 4.240 -1.121 -1.503 1.00 1.00 H new ATOM 0 HA LEU A 35 1.959 0.057 -3.025 1.00 1.00 H new ATOM 0 HB2 LEU A 35 1.578 1.482 -1.425 1.00 1.00 H new ATOM 0 HB3 LEU A 35 2.546 0.458 -0.383 1.00 1.00 H new ATOM 0 HG LEU A 35 4.550 1.813 -0.927 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.290 3.975 -2.068 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.918 2.604 -3.139 1.00 1.00 H new ATOM 0 HD13 LEU A 35 2.598 3.570 -2.440 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.913 3.794 0.383 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.196 3.377 0.169 1.00 1.00 H new ATOM 0 HD23 LEU A 35 3.268 2.291 1.085 1.00 1.00 H new ATOM 555 N GLU A 36 3.410 1.426 -4.457 1.00 1.00 N ATOM 556 CA GLU A 36 4.269 2.041 -5.456 1.00 1.00 C ATOM 557 C GLU A 36 3.901 3.514 -5.638 1.00 1.00 C ATOM 558 O GLU A 36 2.817 3.832 -6.126 1.00 1.00 O ATOM 559 CB GLU A 36 4.190 1.288 -6.785 1.00 1.00 C ATOM 560 CG GLU A 36 4.990 2.008 -7.872 1.00 1.00 C ATOM 561 CD GLU A 36 4.083 2.903 -8.719 1.00 1.00 C ATOM 562 OE1 GLU A 36 3.837 4.045 -8.274 1.00 1.00 O ATOM 563 OE2 GLU A 36 3.657 2.425 -9.792 1.00 1.00 O ATOM 0 H GLU A 36 2.411 1.564 -4.610 1.00 1.00 H new ATOM 0 HA GLU A 36 5.299 1.985 -5.105 1.00 1.00 H new ATOM 0 HB2 GLU A 36 4.573 0.276 -6.657 1.00 1.00 H new ATOM 0 HB3 GLU A 36 3.149 1.198 -7.094 1.00 1.00 H new ATOM 0 HG2 GLU A 36 5.774 2.610 -7.413 1.00 1.00 H new ATOM 0 HG3 GLU A 36 5.483 1.275 -8.511 1.00 1.00 H new ATOM 570 N TYR A 37 4.824 4.376 -5.236 1.00 1.00 N ATOM 571 CA TYR A 37 4.611 5.808 -5.349 1.00 1.00 C ATOM 572 C TYR A 37 5.589 6.432 -6.347 1.00 1.00 C ATOM 573 O TYR A 37 6.802 6.299 -6.197 1.00 1.00 O ATOM 574 CB TYR A 37 4.882 6.386 -3.958 1.00 1.00 C ATOM 575 CG TYR A 37 4.877 7.915 -3.908 1.00 1.00 C ATOM 576 CD1 TYR A 37 4.278 8.637 -4.920 1.00 1.00 C ATOM 577 CD2 TYR A 37 5.472 8.573 -2.850 1.00 1.00 C ATOM 578 CE1 TYR A 37 4.273 10.076 -4.872 1.00 1.00 C ATOM 579 CE2 TYR A 37 5.467 10.012 -2.802 1.00 1.00 C ATOM 580 CZ TYR A 37 4.868 10.693 -3.816 1.00 1.00 C ATOM 581 OH TYR A 37 4.864 12.052 -3.771 1.00 1.00 O ATOM 0 H TYR A 37 5.722 4.109 -4.831 1.00 1.00 H new ATOM 0 HA TYR A 37 3.601 6.019 -5.700 1.00 1.00 H new ATOM 0 HB2 TYR A 37 4.130 6.008 -3.266 1.00 1.00 H new ATOM 0 HB3 TYR A 37 5.849 6.024 -3.607 1.00 1.00 H new ATOM 0 HD1 TYR A 37 3.813 8.123 -5.748 1.00 1.00 H new ATOM 0 HD2 TYR A 37 5.941 8.008 -2.058 1.00 1.00 H new ATOM 0 HE1 TYR A 37 3.807 10.653 -5.657 1.00 1.00 H new ATOM 0 HE2 TYR A 37 5.928 10.539 -1.980 1.00 1.00 H new ATOM 0 HH TYR A 37 5.324 12.354 -2.960 1.00 1.00 H new ATOM 591 N LYS A 38 5.023 7.098 -7.343 1.00 1.00 N ATOM 592 CA LYS A 38 5.830 7.743 -8.365 1.00 1.00 C ATOM 593 C LYS A 38 6.422 6.676 -9.289 1.00 1.00 C ATOM 594 O LYS A 38 7.123 6.999 -10.246 1.00 1.00 O ATOM 595 CB LYS A 38 6.880 8.652 -7.725 1.00 1.00 C ATOM 596 CG LYS A 38 6.227 9.665 -6.782 1.00 1.00 C ATOM 597 CD LYS A 38 6.852 11.052 -6.948 1.00 1.00 C ATOM 598 CE LYS A 38 8.168 11.156 -6.174 1.00 1.00 C ATOM 599 NZ LYS A 38 8.546 12.574 -5.984 1.00 1.00 N ATOM 0 H LYS A 38 4.016 7.205 -7.464 1.00 1.00 H new ATOM 0 HA LYS A 38 5.212 8.395 -8.983 1.00 1.00 H new ATOM 0 HB2 LYS A 38 7.601 8.049 -7.173 1.00 1.00 H new ATOM 0 HB3 LYS A 38 7.433 9.178 -8.503 1.00 1.00 H new ATOM 0 HG2 LYS A 38 5.157 9.718 -6.984 1.00 1.00 H new ATOM 0 HG3 LYS A 38 6.341 9.332 -5.750 1.00 1.00 H new ATOM 0 HD2 LYS A 38 7.031 11.250 -8.005 1.00 1.00 H new ATOM 0 HD3 LYS A 38 6.157 11.813 -6.594 1.00 1.00 H new ATOM 0 HE2 LYS A 38 8.067 10.667 -5.205 1.00 1.00 H new ATOM 0 HE3 LYS A 38 8.957 10.632 -6.714 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 9.441 12.627 -5.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 8.663 13.029 -6.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 7.800 13.063 -5.449 1.00 1.00 H new ATOM 613 N GLY A 39 6.116 5.427 -8.969 1.00 1.00 N ATOM 614 CA GLY A 39 6.609 4.311 -9.759 1.00 1.00 C ATOM 615 C GLY A 39 7.471 3.376 -8.908 1.00 1.00 C ATOM 616 O GLY A 39 7.942 2.348 -9.392 1.00 1.00 O ATOM 0 H GLY A 39 5.533 5.163 -8.174 1.00 1.00 H new ATOM 0 HA2 GLY A 39 5.768 3.757 -10.177 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.193 4.686 -10.600 1.00 1.00 H new ATOM 620 N LYS A 40 7.651 3.766 -7.655 1.00 1.00 N ATOM 621 CA LYS A 40 8.448 2.976 -6.732 1.00 1.00 C ATOM 622 C LYS A 40 7.530 2.035 -5.949 1.00 1.00 C ATOM 623 O LYS A 40 6.785 2.474 -5.075 1.00 1.00 O ATOM 624 CB LYS A 40 9.299 3.885 -5.844 1.00 1.00 C ATOM 625 CG LYS A 40 10.026 3.076 -4.767 1.00 1.00 C ATOM 626 CD LYS A 40 9.145 2.896 -3.529 1.00 1.00 C ATOM 627 CE LYS A 40 9.933 3.182 -2.250 1.00 1.00 C ATOM 628 NZ LYS A 40 10.141 4.638 -2.084 1.00 1.00 N ATOM 0 H LYS A 40 7.258 4.619 -7.257 1.00 1.00 H new ATOM 0 HA LYS A 40 9.155 2.351 -7.278 1.00 1.00 H new ATOM 0 HB2 LYS A 40 10.026 4.419 -6.455 1.00 1.00 H new ATOM 0 HB3 LYS A 40 8.665 4.636 -5.373 1.00 1.00 H new ATOM 0 HG2 LYS A 40 10.304 2.100 -5.165 1.00 1.00 H new ATOM 0 HG3 LYS A 40 10.951 3.582 -4.489 1.00 1.00 H new ATOM 0 HD2 LYS A 40 8.286 3.565 -3.589 1.00 1.00 H new ATOM 0 HD3 LYS A 40 8.755 1.879 -3.500 1.00 1.00 H new ATOM 0 HE2 LYS A 40 9.396 2.785 -1.389 1.00 1.00 H new ATOM 0 HE3 LYS A 40 10.896 2.673 -2.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.721 4.812 -1.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 10.628 5.017 -2.921 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 9.221 5.110 -1.975 1.00 1.00 H new ATOM 642 N SER A 41 7.615 0.757 -6.291 1.00 1.00 N ATOM 643 CA SER A 41 6.801 -0.249 -5.631 1.00 1.00 C ATOM 644 C SER A 41 7.644 -1.019 -4.613 1.00 1.00 C ATOM 645 O SER A 41 8.576 -1.731 -4.985 1.00 1.00 O ATOM 646 CB SER A 41 6.185 -1.213 -6.647 1.00 1.00 C ATOM 647 OG SER A 41 7.020 -2.342 -6.886 1.00 1.00 O ATOM 0 H SER A 41 8.235 0.396 -7.016 1.00 1.00 H new ATOM 0 HA SER A 41 5.987 0.257 -5.111 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.214 -1.551 -6.284 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.009 -0.687 -7.585 1.00 1.00 H new ATOM 0 HG SER A 41 7.910 -2.176 -6.510 1.00 1.00 H new ATOM 653 N VAL A 42 7.288 -0.850 -3.348 1.00 1.00 N ATOM 654 CA VAL A 42 8.001 -1.520 -2.274 1.00 1.00 C ATOM 655 C VAL A 42 7.015 -1.883 -1.161 1.00 1.00 C ATOM 656 O VAL A 42 6.064 -1.145 -0.905 1.00 1.00 O ATOM 657 CB VAL A 42 9.157 -0.644 -1.786 1.00 1.00 C ATOM 658 CG1 VAL A 42 9.979 -0.116 -2.963 1.00 1.00 C ATOM 659 CG2 VAL A 42 8.644 0.505 -0.916 1.00 1.00 C ATOM 0 H VAL A 42 6.515 -0.259 -3.043 1.00 1.00 H new ATOM 0 HA VAL A 42 8.444 -2.449 -2.632 1.00 1.00 H new ATOM 0 HB VAL A 42 9.811 -1.263 -1.172 1.00 1.00 H new ATOM 0 HG11 VAL A 42 10.794 0.504 -2.589 1.00 1.00 H new ATOM 0 HG12 VAL A 42 10.389 -0.955 -3.525 1.00 1.00 H new ATOM 0 HG13 VAL A 42 9.340 0.480 -3.615 1.00 1.00 H new ATOM 0 HG21 VAL A 42 9.485 1.112 -0.582 1.00 1.00 H new ATOM 0 HG22 VAL A 42 7.958 1.123 -1.496 1.00 1.00 H new ATOM 0 HG23 VAL A 42 8.122 0.100 -0.049 1.00 1.00 H new ATOM 669 N ASN A 43 7.275 -3.018 -0.530 1.00 1.00 N ATOM 670 CA ASN A 43 6.423 -3.487 0.548 1.00 1.00 C ATOM 671 C ASN A 43 6.044 -2.306 1.444 1.00 1.00 C ATOM 672 O ASN A 43 6.711 -2.040 2.442 1.00 1.00 O ATOM 673 CB ASN A 43 7.146 -4.522 1.412 1.00 1.00 C ATOM 674 CG ASN A 43 8.052 -5.412 0.558 1.00 1.00 C ATOM 675 OD1 ASN A 43 7.671 -5.907 -0.489 1.00 1.00 O ATOM 676 ND2 ASN A 43 9.270 -5.588 1.064 1.00 1.00 N ATOM 0 H ASN A 43 8.064 -3.627 -0.745 1.00 1.00 H new ATOM 0 HA ASN A 43 5.538 -3.943 0.103 1.00 1.00 H new ATOM 0 HB2 ASN A 43 7.740 -4.015 2.172 1.00 1.00 H new ATOM 0 HB3 ASN A 43 6.415 -5.138 1.937 1.00 1.00 H new ATOM 0 HD21 ASN A 43 9.949 -6.167 0.570 1.00 1.00 H new ATOM 0 HD22 ASN A 43 9.525 -5.144 1.946 1.00 1.00 H new ATOM 683 N LEU A 44 4.974 -1.629 1.054 1.00 1.00 N ATOM 684 CA LEU A 44 4.498 -0.482 1.809 1.00 1.00 C ATOM 685 C LEU A 44 5.108 -0.512 3.212 1.00 1.00 C ATOM 686 O LEU A 44 5.512 0.523 3.740 1.00 1.00 O ATOM 687 CB LEU A 44 2.969 -0.434 1.804 1.00 1.00 C ATOM 688 CG LEU A 44 2.268 -1.482 0.937 1.00 1.00 C ATOM 689 CD1 LEU A 44 2.510 -2.892 1.480 1.00 1.00 C ATOM 690 CD2 LEU A 44 0.777 -1.170 0.798 1.00 1.00 C ATOM 0 H LEU A 44 4.423 -1.853 0.225 1.00 1.00 H new ATOM 0 HA LEU A 44 4.824 0.446 1.339 1.00 1.00 H new ATOM 0 HB2 LEU A 44 2.618 -0.547 2.830 1.00 1.00 H new ATOM 0 HB3 LEU A 44 2.657 0.555 1.467 1.00 1.00 H new ATOM 0 HG LEU A 44 2.700 -1.443 -0.063 1.00 1.00 H new ATOM 0 HD11 LEU A 44 2.001 -3.618 0.846 1.00 1.00 H new ATOM 0 HD12 LEU A 44 3.580 -3.101 1.485 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.122 -2.962 2.496 1.00 1.00 H new ATOM 0 HD21 LEU A 44 0.303 -1.930 0.177 1.00 1.00 H new ATOM 0 HD22 LEU A 44 0.313 -1.165 1.784 1.00 1.00 H new ATOM 0 HD23 LEU A 44 0.652 -0.192 0.333 1.00 1.00 H new ATOM 702 N LYS A 45 5.154 -1.710 3.776 1.00 1.00 N ATOM 703 CA LYS A 45 5.708 -1.889 5.108 1.00 1.00 C ATOM 704 C LYS A 45 7.207 -1.588 5.077 1.00 1.00 C ATOM 705 O LYS A 45 7.889 -1.705 6.094 1.00 1.00 O ATOM 706 CB LYS A 45 5.370 -3.280 5.646 1.00 1.00 C ATOM 707 CG LYS A 45 5.065 -3.230 7.145 1.00 1.00 C ATOM 708 CD LYS A 45 6.229 -3.793 7.961 1.00 1.00 C ATOM 709 CE LYS A 45 5.774 -4.972 8.824 1.00 1.00 C ATOM 710 NZ LYS A 45 6.275 -6.248 8.265 1.00 1.00 N ATOM 0 H LYS A 45 4.817 -2.566 3.335 1.00 1.00 H new ATOM 0 HA LYS A 45 5.256 -1.185 5.807 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.510 -3.682 5.110 1.00 1.00 H new ATOM 0 HB3 LYS A 45 6.205 -3.957 5.464 1.00 1.00 H new ATOM 0 HG2 LYS A 45 4.870 -2.201 7.446 1.00 1.00 H new ATOM 0 HG3 LYS A 45 4.160 -3.800 7.355 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.026 -4.115 7.290 1.00 1.00 H new ATOM 0 HD3 LYS A 45 6.644 -3.011 8.597 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.139 -4.846 9.843 1.00 1.00 H new ATOM 0 HE3 LYS A 45 4.685 -4.993 8.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 6.136 -7.010 8.959 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 5.754 -6.474 7.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.288 -6.158 8.048 1.00 1.00 H new ATOM 724 N SER A 46 7.678 -1.207 3.898 1.00 1.00 N ATOM 725 CA SER A 46 9.085 -0.890 3.721 1.00 1.00 C ATOM 726 C SER A 46 9.330 0.589 4.030 1.00 1.00 C ATOM 727 O SER A 46 9.637 1.372 3.133 1.00 1.00 O ATOM 728 CB SER A 46 9.550 -1.219 2.302 1.00 1.00 C ATOM 729 OG SER A 46 10.969 -1.314 2.213 1.00 1.00 O ATOM 0 H SER A 46 7.110 -1.111 3.056 1.00 1.00 H new ATOM 0 HA SER A 46 9.663 -1.501 4.414 1.00 1.00 H new ATOM 0 HB2 SER A 46 9.103 -2.161 1.983 1.00 1.00 H new ATOM 0 HB3 SER A 46 9.195 -0.450 1.617 1.00 1.00 H new ATOM 0 HG SER A 46 11.225 -1.527 1.291 1.00 1.00 H new ATOM 735 N ILE A 47 9.186 0.926 5.303 1.00 1.00 N ATOM 736 CA ILE A 47 9.388 2.297 5.742 1.00 1.00 C ATOM 737 C ILE A 47 10.590 2.891 5.005 1.00 1.00 C ATOM 738 O ILE A 47 10.494 3.971 4.425 1.00 1.00 O ATOM 739 CB ILE A 47 9.508 2.359 7.266 1.00 1.00 C ATOM 740 CG1 ILE A 47 8.580 3.429 7.845 1.00 1.00 C ATOM 741 CG2 ILE A 47 10.962 2.569 7.693 1.00 1.00 C ATOM 742 CD1 ILE A 47 7.144 3.236 7.352 1.00 1.00 C ATOM 0 H ILE A 47 8.932 0.274 6.045 1.00 1.00 H new ATOM 0 HA ILE A 47 8.523 2.910 5.489 1.00 1.00 H new ATOM 0 HB ILE A 47 9.188 1.400 7.674 1.00 1.00 H new ATOM 0 HG12 ILE A 47 8.603 3.385 8.934 1.00 1.00 H new ATOM 0 HG13 ILE A 47 8.937 4.418 7.558 1.00 1.00 H new ATOM 0 HG21 ILE A 47 11.020 2.609 8.781 1.00 1.00 H new ATOM 0 HG22 ILE A 47 11.571 1.742 7.328 1.00 1.00 H new ATOM 0 HG23 ILE A 47 11.332 3.505 7.275 1.00 1.00 H new ATOM 0 HD11 ILE A 47 6.506 4.010 7.779 1.00 1.00 H new ATOM 0 HD12 ILE A 47 7.120 3.305 6.264 1.00 1.00 H new ATOM 0 HD13 ILE A 47 6.782 2.256 7.661 1.00 1.00 H new ATOM 754 N MET A 48 11.693 2.160 5.053 1.00 1.00 N ATOM 755 CA MET A 48 12.913 2.601 4.398 1.00 1.00 C ATOM 756 C MET A 48 12.606 3.237 3.040 1.00 1.00 C ATOM 757 O MET A 48 12.617 4.459 2.906 1.00 1.00 O ATOM 758 CB MET A 48 13.849 1.407 4.203 1.00 1.00 C ATOM 759 CG MET A 48 15.075 1.801 3.377 1.00 1.00 C ATOM 760 SD MET A 48 15.658 0.396 2.442 1.00 1.00 S ATOM 761 CE MET A 48 14.249 0.123 1.381 1.00 1.00 C ATOM 0 H MET A 48 11.768 1.265 5.536 1.00 1.00 H new ATOM 0 HA MET A 48 13.392 3.349 5.029 1.00 1.00 H new ATOM 0 HB2 MET A 48 14.167 1.027 5.174 1.00 1.00 H new ATOM 0 HB3 MET A 48 13.314 0.599 3.704 1.00 1.00 H new ATOM 0 HG2 MET A 48 14.821 2.618 2.701 1.00 1.00 H new ATOM 0 HG3 MET A 48 15.865 2.164 4.034 1.00 1.00 H new ATOM 0 HE1 MET A 48 14.459 -0.703 0.702 1.00 1.00 H new ATOM 0 HE2 MET A 48 13.377 -0.120 1.989 1.00 1.00 H new ATOM 0 HE3 MET A 48 14.048 1.025 0.803 1.00 1.00 H new ATOM 771 N GLY A 49 12.340 2.378 2.067 1.00 1.00 N ATOM 772 CA GLY A 49 12.031 2.839 0.725 1.00 1.00 C ATOM 773 C GLY A 49 10.869 3.834 0.741 1.00 1.00 C ATOM 774 O GLY A 49 10.946 4.894 0.122 1.00 1.00 O ATOM 0 H GLY A 49 12.332 1.365 2.182 1.00 1.00 H new ATOM 0 HA2 GLY A 49 12.911 3.309 0.287 1.00 1.00 H new ATOM 0 HA3 GLY A 49 11.777 1.988 0.094 1.00 1.00 H new ATOM 778 N VAL A 50 9.819 3.457 1.456 1.00 1.00 N ATOM 779 CA VAL A 50 8.642 4.303 1.561 1.00 1.00 C ATOM 780 C VAL A 50 9.037 5.643 2.185 1.00 1.00 C ATOM 781 O VAL A 50 8.754 6.700 1.625 1.00 1.00 O ATOM 782 CB VAL A 50 7.545 3.578 2.344 1.00 1.00 C ATOM 783 CG1 VAL A 50 7.070 4.421 3.529 1.00 1.00 C ATOM 784 CG2 VAL A 50 6.375 3.206 1.431 1.00 1.00 C ATOM 0 H VAL A 50 9.759 2.577 1.968 1.00 1.00 H new ATOM 0 HA VAL A 50 8.232 4.513 0.573 1.00 1.00 H new ATOM 0 HB VAL A 50 7.969 2.654 2.738 1.00 1.00 H new ATOM 0 HG11 VAL A 50 6.291 3.883 4.069 1.00 1.00 H new ATOM 0 HG12 VAL A 50 7.909 4.613 4.198 1.00 1.00 H new ATOM 0 HG13 VAL A 50 6.672 5.368 3.165 1.00 1.00 H new ATOM 0 HG21 VAL A 50 5.609 2.692 2.012 1.00 1.00 H new ATOM 0 HG22 VAL A 50 5.953 4.111 0.994 1.00 1.00 H new ATOM 0 HG23 VAL A 50 6.728 2.550 0.636 1.00 1.00 H new ATOM 794 N MET A 51 9.684 5.555 3.338 1.00 1.00 N ATOM 795 CA MET A 51 10.121 6.747 4.044 1.00 1.00 C ATOM 796 C MET A 51 10.653 7.798 3.069 1.00 1.00 C ATOM 797 O MET A 51 10.195 8.940 3.070 1.00 1.00 O ATOM 798 CB MET A 51 11.218 6.376 5.044 1.00 1.00 C ATOM 799 CG MET A 51 11.875 7.628 5.627 1.00 1.00 C ATOM 800 SD MET A 51 10.698 8.532 6.618 1.00 1.00 S ATOM 801 CE MET A 51 9.685 7.183 7.202 1.00 1.00 C ATOM 0 H MET A 51 9.916 4.676 3.801 1.00 1.00 H new ATOM 0 HA MET A 51 9.265 7.168 4.571 1.00 1.00 H new ATOM 0 HB2 MET A 51 10.794 5.776 5.849 1.00 1.00 H new ATOM 0 HB3 MET A 51 11.971 5.762 4.551 1.00 1.00 H new ATOM 0 HG2 MET A 51 12.735 7.347 6.235 1.00 1.00 H new ATOM 0 HG3 MET A 51 12.247 8.262 4.822 1.00 1.00 H new ATOM 0 HE1 MET A 51 9.071 7.524 8.036 1.00 1.00 H new ATOM 0 HE2 MET A 51 9.040 6.836 6.394 1.00 1.00 H new ATOM 0 HE3 MET A 51 10.324 6.365 7.533 1.00 1.00 H new ATOM 811 N SER A 52 11.614 7.376 2.260 1.00 1.00 N ATOM 812 CA SER A 52 12.214 8.267 1.281 1.00 1.00 C ATOM 813 C SER A 52 11.140 8.797 0.329 1.00 1.00 C ATOM 814 O SER A 52 11.287 9.879 -0.237 1.00 1.00 O ATOM 815 CB SER A 52 13.318 7.557 0.495 1.00 1.00 C ATOM 816 OG SER A 52 12.815 6.456 -0.257 1.00 1.00 O ATOM 0 H SER A 52 11.992 6.429 2.262 1.00 1.00 H new ATOM 0 HA SER A 52 12.665 9.105 1.812 1.00 1.00 H new ATOM 0 HB2 SER A 52 13.797 8.267 -0.179 1.00 1.00 H new ATOM 0 HB3 SER A 52 14.085 7.205 1.185 1.00 1.00 H new ATOM 0 HG SER A 52 12.231 5.912 0.311 1.00 1.00 H new ATOM 822 N LEU A 53 10.085 8.010 0.181 1.00 1.00 N ATOM 823 CA LEU A 53 8.987 8.386 -0.693 1.00 1.00 C ATOM 824 C LEU A 53 7.921 9.123 0.121 1.00 1.00 C ATOM 825 O LEU A 53 7.938 10.350 0.208 1.00 1.00 O ATOM 826 CB LEU A 53 8.453 7.163 -1.441 1.00 1.00 C ATOM 827 CG LEU A 53 8.685 7.147 -2.953 1.00 1.00 C ATOM 828 CD1 LEU A 53 8.188 5.838 -3.570 1.00 1.00 C ATOM 829 CD2 LEU A 53 8.053 8.371 -3.618 1.00 1.00 C ATOM 0 H LEU A 53 9.967 7.113 0.652 1.00 1.00 H new ATOM 0 HA LEU A 53 9.333 9.075 -1.463 1.00 1.00 H new ATOM 0 HB2 LEU A 53 8.912 6.272 -1.014 1.00 1.00 H new ATOM 0 HB3 LEU A 53 7.381 7.089 -1.257 1.00 1.00 H new ATOM 0 HG LEU A 53 9.758 7.201 -3.134 1.00 1.00 H new ATOM 0 HD11 LEU A 53 8.365 5.853 -4.645 1.00 1.00 H new ATOM 0 HD12 LEU A 53 8.724 5.000 -3.125 1.00 1.00 H new ATOM 0 HD13 LEU A 53 7.120 5.728 -3.379 1.00 1.00 H new ATOM 0 HD21 LEU A 53 8.233 8.335 -4.692 1.00 1.00 H new ATOM 0 HD22 LEU A 53 6.979 8.374 -3.430 1.00 1.00 H new ATOM 0 HD23 LEU A 53 8.496 9.278 -3.206 1.00 1.00 H new ATOM 841 N GLY A 54 7.019 8.342 0.698 1.00 1.00 N ATOM 842 CA GLY A 54 5.948 8.905 1.503 1.00 1.00 C ATOM 843 C GLY A 54 5.075 9.847 0.672 1.00 1.00 C ATOM 844 O GLY A 54 5.578 10.788 0.061 1.00 1.00 O ATOM 0 H GLY A 54 7.008 7.325 0.624 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.335 8.102 1.912 1.00 1.00 H new ATOM 0 HA3 GLY A 54 6.370 9.447 2.349 1.00 1.00 H new ATOM 848 N VAL A 55 3.781 9.561 0.676 1.00 1.00 N ATOM 849 CA VAL A 55 2.833 10.371 -0.070 1.00 1.00 C ATOM 850 C VAL A 55 1.980 11.180 0.909 1.00 1.00 C ATOM 851 O VAL A 55 2.237 11.177 2.112 1.00 1.00 O ATOM 852 CB VAL A 55 2.001 9.482 -0.996 1.00 1.00 C ATOM 853 CG1 VAL A 55 2.415 9.673 -2.457 1.00 1.00 C ATOM 854 CG2 VAL A 55 2.104 8.012 -0.584 1.00 1.00 C ATOM 0 H VAL A 55 3.367 8.779 1.184 1.00 1.00 H new ATOM 0 HA VAL A 55 3.357 11.082 -0.709 1.00 1.00 H new ATOM 0 HB VAL A 55 0.958 9.783 -0.901 1.00 1.00 H new ATOM 0 HG11 VAL A 55 1.808 9.030 -3.094 1.00 1.00 H new ATOM 0 HG12 VAL A 55 2.265 10.714 -2.745 1.00 1.00 H new ATOM 0 HG13 VAL A 55 3.467 9.412 -2.574 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.503 7.402 -1.259 1.00 1.00 H new ATOM 0 HG22 VAL A 55 3.145 7.692 -0.635 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.738 7.893 0.436 1.00 1.00 H new ATOM 864 N GLY A 56 0.981 11.853 0.356 1.00 1.00 N ATOM 865 CA GLY A 56 0.088 12.665 1.166 1.00 1.00 C ATOM 866 C GLY A 56 -0.633 13.708 0.309 1.00 1.00 C ATOM 867 O GLY A 56 -1.693 13.432 -0.250 1.00 1.00 O ATOM 0 H GLY A 56 0.770 11.853 -0.642 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.644 12.025 1.659 1.00 1.00 H new ATOM 0 HA3 GLY A 56 0.656 13.164 1.951 1.00 1.00 H new ATOM 871 N GLN A 57 -0.028 14.884 0.232 1.00 1.00 N ATOM 872 CA GLN A 57 -0.599 15.970 -0.547 1.00 1.00 C ATOM 873 C GLN A 57 -1.262 15.423 -1.812 1.00 1.00 C ATOM 874 O GLN A 57 -0.666 15.442 -2.888 1.00 1.00 O ATOM 875 CB GLN A 57 0.465 17.014 -0.893 1.00 1.00 C ATOM 876 CG GLN A 57 0.288 18.278 -0.049 1.00 1.00 C ATOM 877 CD GLN A 57 1.471 19.230 -0.232 1.00 1.00 C ATOM 878 OE1 GLN A 57 1.456 20.128 -1.058 1.00 1.00 O ATOM 879 NE2 GLN A 57 2.494 18.984 0.581 1.00 1.00 N ATOM 0 H GLN A 57 0.852 15.109 0.696 1.00 1.00 H new ATOM 0 HA GLN A 57 -1.362 16.463 0.056 1.00 1.00 H new ATOM 0 HB2 GLN A 57 1.458 16.596 -0.725 1.00 1.00 H new ATOM 0 HB3 GLN A 57 0.401 17.267 -1.951 1.00 1.00 H new ATOM 0 HG2 GLN A 57 -0.636 18.782 -0.332 1.00 1.00 H new ATOM 0 HG3 GLN A 57 0.194 18.007 1.003 1.00 1.00 H new ATOM 0 HE21 GLN A 57 2.441 18.216 1.250 1.00 1.00 H new ATOM 0 HE22 GLN A 57 3.332 19.564 0.536 1.00 1.00 H new ATOM 888 N GLY A 58 -2.487 14.948 -1.642 1.00 1.00 N ATOM 889 CA GLY A 58 -3.239 14.396 -2.756 1.00 1.00 C ATOM 890 C GLY A 58 -2.344 13.530 -3.645 1.00 1.00 C ATOM 891 O GLY A 58 -2.737 13.153 -4.748 1.00 1.00 O ATOM 0 H GLY A 58 -2.978 14.934 -0.748 1.00 1.00 H new ATOM 0 HA2 GLY A 58 -4.070 13.799 -2.379 1.00 1.00 H new ATOM 0 HA3 GLY A 58 -3.670 15.205 -3.346 1.00 1.00 H new ATOM 895 N SER A 59 -1.158 13.239 -3.131 1.00 1.00 N ATOM 896 CA SER A 59 -0.205 12.424 -3.865 1.00 1.00 C ATOM 897 C SER A 59 -0.899 11.177 -4.418 1.00 1.00 C ATOM 898 O SER A 59 -2.062 10.922 -4.111 1.00 1.00 O ATOM 899 CB SER A 59 0.975 12.024 -2.977 1.00 1.00 C ATOM 900 OG SER A 59 1.533 13.143 -2.294 1.00 1.00 O ATOM 0 H SER A 59 -0.835 13.553 -2.216 1.00 1.00 H new ATOM 0 HA SER A 59 0.183 13.015 -4.695 1.00 1.00 H new ATOM 0 HB2 SER A 59 0.646 11.282 -2.249 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.744 11.552 -3.588 1.00 1.00 H new ATOM 0 HG SER A 59 2.282 12.846 -1.737 1.00 1.00 H new ATOM 906 N ASP A 60 -0.155 10.435 -5.226 1.00 1.00 N ATOM 907 CA ASP A 60 -0.685 9.222 -5.825 1.00 1.00 C ATOM 908 C ASP A 60 0.354 8.104 -5.707 1.00 1.00 C ATOM 909 O ASP A 60 1.556 8.359 -5.774 1.00 1.00 O ATOM 910 CB ASP A 60 -0.989 9.429 -7.310 1.00 1.00 C ATOM 911 CG ASP A 60 0.241 9.578 -8.208 1.00 1.00 C ATOM 912 OD1 ASP A 60 0.869 8.534 -8.487 1.00 1.00 O ATOM 913 OD2 ASP A 60 0.524 10.732 -8.595 1.00 1.00 O ATOM 0 H ASP A 60 0.809 10.650 -5.479 1.00 1.00 H new ATOM 0 HA ASP A 60 -1.605 8.961 -5.301 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -1.579 8.585 -7.666 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -1.609 10.319 -7.418 1.00 1.00 H new ATOM 918 N VAL A 61 -0.147 6.890 -5.534 1.00 1.00 N ATOM 919 CA VAL A 61 0.723 5.733 -5.405 1.00 1.00 C ATOM 920 C VAL A 61 0.024 4.508 -5.997 1.00 1.00 C ATOM 921 O VAL A 61 -1.145 4.576 -6.374 1.00 1.00 O ATOM 922 CB VAL A 61 1.127 5.542 -3.942 1.00 1.00 C ATOM 923 CG1 VAL A 61 1.967 6.722 -3.447 1.00 1.00 C ATOM 924 CG2 VAL A 61 -0.102 5.334 -3.056 1.00 1.00 C ATOM 0 H VAL A 61 -1.144 6.682 -5.480 1.00 1.00 H new ATOM 0 HA VAL A 61 1.646 5.884 -5.965 1.00 1.00 H new ATOM 0 HB VAL A 61 1.741 4.643 -3.879 1.00 1.00 H new ATOM 0 HG11 VAL A 61 2.241 6.561 -2.404 1.00 1.00 H new ATOM 0 HG12 VAL A 61 2.870 6.804 -4.051 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.388 7.642 -3.533 1.00 1.00 H new ATOM 0 HG21 VAL A 61 0.214 5.201 -2.021 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -0.754 6.205 -3.127 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -0.643 4.448 -3.387 1.00 1.00 H new ATOM 934 N THR A 62 0.769 3.414 -6.061 1.00 1.00 N ATOM 935 CA THR A 62 0.236 2.175 -6.601 1.00 1.00 C ATOM 936 C THR A 62 0.441 1.029 -5.608 1.00 1.00 C ATOM 937 O THR A 62 1.431 1.005 -4.878 1.00 1.00 O ATOM 938 CB THR A 62 0.896 1.928 -7.959 1.00 1.00 C ATOM 939 OG1 THR A 62 -0.026 2.474 -8.898 1.00 1.00 O ATOM 940 CG2 THR A 62 0.958 0.442 -8.318 1.00 1.00 C ATOM 0 H THR A 62 1.738 3.360 -5.747 1.00 1.00 H new ATOM 0 HA THR A 62 -0.841 2.242 -6.755 1.00 1.00 H new ATOM 0 HB THR A 62 1.904 2.342 -7.953 1.00 1.00 H new ATOM 0 HG1 THR A 62 0.449 3.071 -9.513 1.00 1.00 H new ATOM 0 HG21 THR A 62 1.435 0.322 -9.291 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.535 -0.091 -7.563 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.052 0.035 -8.357 1.00 1.00 H new ATOM 948 N ILE A 63 -0.511 0.107 -5.613 1.00 1.00 N ATOM 949 CA ILE A 63 -0.447 -1.039 -4.722 1.00 1.00 C ATOM 950 C ILE A 63 -0.376 -2.322 -5.552 1.00 1.00 C ATOM 951 O ILE A 63 -0.835 -2.353 -6.693 1.00 1.00 O ATOM 952 CB ILE A 63 -1.611 -1.012 -3.730 1.00 1.00 C ATOM 953 CG1 ILE A 63 -1.102 -0.991 -2.287 1.00 1.00 C ATOM 954 CG2 ILE A 63 -2.573 -2.174 -3.982 1.00 1.00 C ATOM 955 CD1 ILE A 63 -1.148 0.425 -1.710 1.00 1.00 C ATOM 0 H ILE A 63 -1.331 0.130 -6.220 1.00 1.00 H new ATOM 0 HA ILE A 63 0.459 -1.000 -4.117 1.00 1.00 H new ATOM 0 HB ILE A 63 -2.172 -0.090 -3.886 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.709 -1.657 -1.674 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -0.080 -1.369 -2.253 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -3.391 -2.131 -3.263 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -2.974 -2.102 -4.993 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -2.040 -3.118 -3.870 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -0.781 0.412 -0.684 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -0.521 1.083 -2.311 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -2.175 0.790 -1.723 1.00 1.00 H new ATOM 967 N THR A 64 0.202 -3.349 -4.948 1.00 1.00 N ATOM 968 CA THR A 64 0.339 -4.632 -5.617 1.00 1.00 C ATOM 969 C THR A 64 0.020 -5.774 -4.651 1.00 1.00 C ATOM 970 O THR A 64 0.244 -5.655 -3.448 1.00 1.00 O ATOM 971 CB THR A 64 1.749 -4.710 -6.206 1.00 1.00 C ATOM 972 OG1 THR A 64 2.075 -3.356 -6.507 1.00 1.00 O ATOM 973 CG2 THR A 64 1.777 -5.411 -7.566 1.00 1.00 C ATOM 0 H THR A 64 0.581 -3.319 -4.002 1.00 1.00 H new ATOM 0 HA THR A 64 -0.376 -4.730 -6.434 1.00 1.00 H new ATOM 0 HB THR A 64 2.404 -5.237 -5.512 1.00 1.00 H new ATOM 0 HG1 THR A 64 2.975 -3.314 -6.892 1.00 1.00 H new ATOM 0 HG21 THR A 64 2.801 -5.440 -7.940 1.00 1.00 H new ATOM 0 HG22 THR A 64 1.401 -6.429 -7.459 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.149 -4.865 -8.270 1.00 1.00 H new ATOM 981 N VAL A 65 -0.500 -6.855 -5.214 1.00 1.00 N ATOM 982 CA VAL A 65 -0.852 -8.018 -4.418 1.00 1.00 C ATOM 983 C VAL A 65 -0.559 -9.288 -5.220 1.00 1.00 C ATOM 984 O VAL A 65 -1.076 -9.463 -6.323 1.00 1.00 O ATOM 985 CB VAL A 65 -2.310 -7.920 -3.965 1.00 1.00 C ATOM 986 CG1 VAL A 65 -3.265 -8.225 -5.121 1.00 1.00 C ATOM 987 CG2 VAL A 65 -2.578 -8.843 -2.774 1.00 1.00 C ATOM 0 H VAL A 65 -0.686 -6.950 -6.212 1.00 1.00 H new ATOM 0 HA VAL A 65 -0.246 -8.059 -3.513 1.00 1.00 H new ATOM 0 HB VAL A 65 -2.492 -6.895 -3.642 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -4.295 -8.148 -4.772 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -3.101 -7.510 -5.927 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -3.081 -9.234 -5.489 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -3.622 -8.754 -2.472 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -2.369 -9.874 -3.059 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -1.934 -8.559 -1.942 1.00 1.00 H new ATOM 997 N ASP A 66 0.269 -10.141 -4.635 1.00 1.00 N ATOM 998 CA ASP A 66 0.636 -11.390 -5.281 1.00 1.00 C ATOM 999 C ASP A 66 0.639 -12.515 -4.244 1.00 1.00 C ATOM 1000 O ASP A 66 1.329 -12.427 -3.230 1.00 1.00 O ATOM 1001 CB ASP A 66 2.038 -11.304 -5.889 1.00 1.00 C ATOM 1002 CG ASP A 66 2.637 -9.897 -5.935 1.00 1.00 C ATOM 1003 OD1 ASP A 66 1.848 -8.950 -6.147 1.00 1.00 O ATOM 1004 OD2 ASP A 66 3.871 -9.799 -5.758 1.00 1.00 O ATOM 0 H ASP A 66 0.696 -9.992 -3.721 1.00 1.00 H new ATOM 0 HA ASP A 66 -0.089 -11.586 -6.071 1.00 1.00 H new ATOM 0 HB2 ASP A 66 2.706 -11.948 -5.317 1.00 1.00 H new ATOM 0 HB3 ASP A 66 2.003 -11.701 -6.903 1.00 1.00 H new ATOM 1009 N GLY A 67 -0.141 -13.546 -4.534 1.00 1.00 N ATOM 1010 CA GLY A 67 -0.237 -14.686 -3.640 1.00 1.00 C ATOM 1011 C GLY A 67 -1.676 -15.199 -3.557 1.00 1.00 C ATOM 1012 O GLY A 67 -2.392 -15.211 -4.557 1.00 1.00 O ATOM 0 H GLY A 67 -0.712 -13.615 -5.376 1.00 1.00 H new ATOM 0 HA2 GLY A 67 0.417 -15.484 -3.991 1.00 1.00 H new ATOM 0 HA3 GLY A 67 0.110 -14.403 -2.646 1.00 1.00 H new ATOM 1016 N ALA A 68 -2.056 -15.611 -2.357 1.00 1.00 N ATOM 1017 CA ALA A 68 -3.397 -16.124 -2.131 1.00 1.00 C ATOM 1018 C ALA A 68 -4.308 -14.978 -1.688 1.00 1.00 C ATOM 1019 O ALA A 68 -5.412 -14.820 -2.208 1.00 1.00 O ATOM 1020 CB ALA A 68 -3.344 -17.257 -1.105 1.00 1.00 C ATOM 0 H ALA A 68 -1.459 -15.600 -1.530 1.00 1.00 H new ATOM 0 HA ALA A 68 -3.810 -16.537 -3.051 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -4.350 -17.642 -0.935 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -2.707 -18.058 -1.480 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -2.937 -16.880 -0.167 1.00 1.00 H new ATOM 1026 N ASP A 69 -3.813 -14.207 -0.731 1.00 1.00 N ATOM 1027 CA ASP A 69 -4.569 -13.080 -0.211 1.00 1.00 C ATOM 1028 C ASP A 69 -4.940 -12.145 -1.364 1.00 1.00 C ATOM 1029 O ASP A 69 -5.940 -11.432 -1.292 1.00 1.00 O ATOM 1030 CB ASP A 69 -3.743 -12.280 0.798 1.00 1.00 C ATOM 1031 CG ASP A 69 -4.329 -12.218 2.210 1.00 1.00 C ATOM 1032 OD1 ASP A 69 -4.089 -13.183 2.967 1.00 1.00 O ATOM 1033 OD2 ASP A 69 -5.006 -11.208 2.499 1.00 1.00 O ATOM 0 H ASP A 69 -2.897 -14.341 -0.302 1.00 1.00 H new ATOM 0 HA ASP A 69 -5.460 -13.471 0.281 1.00 1.00 H new ATOM 0 HB2 ASP A 69 -2.745 -12.715 0.854 1.00 1.00 H new ATOM 0 HB3 ASP A 69 -3.627 -11.263 0.424 1.00 1.00 H new ATOM 1038 N GLU A 70 -4.116 -12.180 -2.401 1.00 1.00 N ATOM 1039 CA GLU A 70 -4.345 -11.345 -3.567 1.00 1.00 C ATOM 1040 C GLU A 70 -5.595 -10.485 -3.368 1.00 1.00 C ATOM 1041 O GLU A 70 -5.494 -9.303 -3.044 1.00 1.00 O ATOM 1042 CB GLU A 70 -4.461 -12.194 -4.835 1.00 1.00 C ATOM 1043 CG GLU A 70 -4.528 -13.683 -4.493 1.00 1.00 C ATOM 1044 CD GLU A 70 -5.977 -14.172 -4.453 1.00 1.00 C ATOM 1045 OE1 GLU A 70 -6.872 -13.300 -4.499 1.00 1.00 O ATOM 1046 OE2 GLU A 70 -6.158 -15.407 -4.377 1.00 1.00 O ATOM 0 H GLU A 70 -3.289 -12.774 -2.458 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.488 -10.683 -3.689 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.353 -11.904 -5.391 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -3.606 -12.004 -5.484 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -3.968 -14.255 -5.233 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -4.054 -13.860 -3.527 1.00 1.00 H new ATOM 1053 N ALA A 71 -6.744 -11.112 -3.569 1.00 1.00 N ATOM 1054 CA ALA A 71 -8.012 -10.419 -3.414 1.00 1.00 C ATOM 1055 C ALA A 71 -8.084 -9.801 -2.017 1.00 1.00 C ATOM 1056 O ALA A 71 -7.944 -8.588 -1.863 1.00 1.00 O ATOM 1057 CB ALA A 71 -9.162 -11.393 -3.681 1.00 1.00 C ATOM 0 H ALA A 71 -6.824 -12.093 -3.838 1.00 1.00 H new ATOM 0 HA ALA A 71 -8.097 -9.608 -4.137 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -10.113 -10.874 -3.565 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -9.082 -11.781 -4.697 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -9.111 -12.219 -2.972 1.00 1.00 H new ATOM 1063 N GLU A 72 -8.300 -10.662 -1.034 1.00 1.00 N ATOM 1064 CA GLU A 72 -8.392 -10.215 0.346 1.00 1.00 C ATOM 1065 C GLU A 72 -7.322 -9.161 0.635 1.00 1.00 C ATOM 1066 O GLU A 72 -7.627 -8.087 1.152 1.00 1.00 O ATOM 1067 CB GLU A 72 -8.274 -11.395 1.313 1.00 1.00 C ATOM 1068 CG GLU A 72 -8.060 -12.706 0.555 1.00 1.00 C ATOM 1069 CD GLU A 72 -7.788 -13.861 1.522 1.00 1.00 C ATOM 1070 OE1 GLU A 72 -6.792 -13.753 2.270 1.00 1.00 O ATOM 1071 OE2 GLU A 72 -8.583 -14.825 1.492 1.00 1.00 O ATOM 0 H GLU A 72 -8.414 -11.667 -1.165 1.00 1.00 H new ATOM 0 HA GLU A 72 -9.371 -9.761 0.496 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -7.443 -11.227 1.998 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -9.177 -11.465 1.919 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -8.941 -12.930 -0.046 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -7.222 -12.599 -0.134 1.00 1.00 H new ATOM 1078 N GLY A 73 -6.090 -9.503 0.287 1.00 1.00 N ATOM 1079 CA GLY A 73 -4.973 -8.599 0.502 1.00 1.00 C ATOM 1080 C GLY A 73 -5.282 -7.205 -0.047 1.00 1.00 C ATOM 1081 O GLY A 73 -5.662 -6.308 0.705 1.00 1.00 O ATOM 0 H GLY A 73 -5.841 -10.394 -0.142 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -4.754 -8.534 1.568 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -4.081 -8.995 0.017 1.00 1.00 H new ATOM 1085 N MET A 74 -5.109 -7.066 -1.353 1.00 1.00 N ATOM 1086 CA MET A 74 -5.364 -5.796 -2.011 1.00 1.00 C ATOM 1087 C MET A 74 -6.774 -5.290 -1.697 1.00 1.00 C ATOM 1088 O MET A 74 -6.999 -4.084 -1.609 1.00 1.00 O ATOM 1089 CB MET A 74 -5.207 -5.964 -3.523 1.00 1.00 C ATOM 1090 CG MET A 74 -6.061 -7.126 -4.037 1.00 1.00 C ATOM 1091 SD MET A 74 -7.274 -6.524 -5.201 1.00 1.00 S ATOM 1092 CE MET A 74 -8.769 -7.102 -4.415 1.00 1.00 C ATOM 0 H MET A 74 -4.795 -7.812 -1.973 1.00 1.00 H new ATOM 0 HA MET A 74 -4.645 -5.065 -1.641 1.00 1.00 H new ATOM 0 HB2 MET A 74 -5.499 -5.043 -4.027 1.00 1.00 H new ATOM 0 HB3 MET A 74 -4.160 -6.142 -3.766 1.00 1.00 H new ATOM 0 HG2 MET A 74 -5.425 -7.872 -4.514 1.00 1.00 H new ATOM 0 HG3 MET A 74 -6.559 -7.619 -3.202 1.00 1.00 H new ATOM 0 HE1 MET A 74 -9.278 -7.806 -5.074 1.00 1.00 H new ATOM 0 HE2 MET A 74 -8.519 -7.599 -3.478 1.00 1.00 H new ATOM 0 HE3 MET A 74 -9.425 -6.255 -4.213 1.00 1.00 H new ATOM 1102 N ALA A 75 -7.686 -6.237 -1.536 1.00 1.00 N ATOM 1103 CA ALA A 75 -9.067 -5.902 -1.234 1.00 1.00 C ATOM 1104 C ALA A 75 -9.102 -4.865 -0.110 1.00 1.00 C ATOM 1105 O ALA A 75 -9.642 -3.774 -0.284 1.00 1.00 O ATOM 1106 CB ALA A 75 -9.835 -7.176 -0.875 1.00 1.00 C ATOM 0 H ALA A 75 -7.496 -7.236 -1.609 1.00 1.00 H new ATOM 0 HA ALA A 75 -9.554 -5.462 -2.104 1.00 1.00 H new ATOM 0 HB1 ALA A 75 -10.871 -6.925 -0.648 1.00 1.00 H new ATOM 0 HB2 ALA A 75 -9.805 -7.868 -1.717 1.00 1.00 H new ATOM 0 HB3 ALA A 75 -9.376 -7.644 -0.004 1.00 1.00 H new ATOM 1112 N ALA A 76 -8.518 -5.242 1.018 1.00 1.00 N ATOM 1113 CA ALA A 76 -8.475 -4.358 2.170 1.00 1.00 C ATOM 1114 C ALA A 76 -7.795 -3.045 1.776 1.00 1.00 C ATOM 1115 O ALA A 76 -8.378 -1.972 1.920 1.00 1.00 O ATOM 1116 CB ALA A 76 -7.760 -5.060 3.326 1.00 1.00 C ATOM 0 H ALA A 76 -8.071 -6.148 1.159 1.00 1.00 H new ATOM 0 HA ALA A 76 -9.484 -4.119 2.507 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.728 -4.397 4.190 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -8.299 -5.971 3.587 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -6.743 -5.313 3.025 1.00 1.00 H new ATOM 1122 N ILE A 77 -6.571 -3.174 1.285 1.00 1.00 N ATOM 1123 CA ILE A 77 -5.806 -2.012 0.868 1.00 1.00 C ATOM 1124 C ILE A 77 -6.691 -1.103 0.014 1.00 1.00 C ATOM 1125 O ILE A 77 -6.877 0.070 0.336 1.00 1.00 O ATOM 1126 CB ILE A 77 -4.514 -2.443 0.171 1.00 1.00 C ATOM 1127 CG1 ILE A 77 -3.315 -2.321 1.115 1.00 1.00 C ATOM 1128 CG2 ILE A 77 -4.304 -1.660 -1.127 1.00 1.00 C ATOM 1129 CD1 ILE A 77 -3.345 -0.991 1.870 1.00 1.00 C ATOM 0 H ILE A 77 -6.090 -4.066 1.167 1.00 1.00 H new ATOM 0 HA ILE A 77 -5.495 -1.430 1.736 1.00 1.00 H new ATOM 0 HB ILE A 77 -4.606 -3.495 -0.099 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -3.322 -3.147 1.826 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -2.389 -2.399 0.545 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -3.379 -1.985 -1.603 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -5.142 -1.841 -1.801 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -4.242 -0.595 -0.903 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -2.482 -0.930 2.534 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -3.314 -0.167 1.157 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -4.260 -0.927 2.458 1.00 1.00 H new ATOM 1141 N VAL A 78 -7.215 -1.678 -1.058 1.00 1.00 N ATOM 1142 CA VAL A 78 -8.077 -0.934 -1.961 1.00 1.00 C ATOM 1143 C VAL A 78 -9.163 -0.223 -1.152 1.00 1.00 C ATOM 1144 O VAL A 78 -9.264 1.003 -1.185 1.00 1.00 O ATOM 1145 CB VAL A 78 -8.644 -1.869 -3.032 1.00 1.00 C ATOM 1146 CG1 VAL A 78 -9.292 -1.073 -4.167 1.00 1.00 C ATOM 1147 CG2 VAL A 78 -7.563 -2.809 -3.568 1.00 1.00 C ATOM 0 H VAL A 78 -7.059 -2.651 -1.322 1.00 1.00 H new ATOM 0 HA VAL A 78 -7.509 -0.167 -2.487 1.00 1.00 H new ATOM 0 HB VAL A 78 -9.418 -2.480 -2.568 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -9.687 -1.761 -4.915 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -10.104 -0.466 -3.768 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.547 -0.425 -4.628 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -7.993 -3.462 -4.327 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -6.756 -2.223 -4.008 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -7.168 -3.413 -2.751 1.00 1.00 H new ATOM 1157 N GLU A 79 -9.948 -1.022 -0.445 1.00 1.00 N ATOM 1158 CA GLU A 79 -11.023 -0.483 0.371 1.00 1.00 C ATOM 1159 C GLU A 79 -10.474 0.549 1.358 1.00 1.00 C ATOM 1160 O GLU A 79 -11.034 1.635 1.501 1.00 1.00 O ATOM 1161 CB GLU A 79 -11.767 -1.601 1.105 1.00 1.00 C ATOM 1162 CG GLU A 79 -13.119 -1.884 0.446 1.00 1.00 C ATOM 1163 CD GLU A 79 -14.271 -1.582 1.407 1.00 1.00 C ATOM 1164 OE1 GLU A 79 -14.133 -0.600 2.167 1.00 1.00 O ATOM 1165 OE2 GLU A 79 -15.263 -2.340 1.359 1.00 1.00 O ATOM 0 H GLU A 79 -9.861 -2.038 -0.420 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.737 0.015 -0.286 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -11.161 -2.507 1.105 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.918 -1.319 2.147 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -13.223 -1.278 -0.454 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.165 -2.928 0.134 1.00 1.00 H new ATOM 1172 N THR A 80 -9.386 0.174 2.014 1.00 1.00 N ATOM 1173 CA THR A 80 -8.756 1.054 2.983 1.00 1.00 C ATOM 1174 C THR A 80 -8.314 2.356 2.313 1.00 1.00 C ATOM 1175 O THR A 80 -8.535 3.441 2.849 1.00 1.00 O ATOM 1176 CB THR A 80 -7.606 0.287 3.639 1.00 1.00 C ATOM 1177 OG1 THR A 80 -7.958 0.246 5.019 1.00 1.00 O ATOM 1178 CG2 THR A 80 -6.291 1.070 3.614 1.00 1.00 C ATOM 0 H THR A 80 -8.925 -0.728 1.893 1.00 1.00 H new ATOM 0 HA THR A 80 -9.457 1.349 3.764 1.00 1.00 H new ATOM 0 HB THR A 80 -7.471 -0.668 3.131 1.00 1.00 H new ATOM 0 HG1 THR A 80 -7.266 -0.236 5.519 1.00 1.00 H new ATOM 0 HG21 THR A 80 -5.508 0.481 4.092 1.00 1.00 H new ATOM 0 HG22 THR A 80 -6.010 1.277 2.581 1.00 1.00 H new ATOM 0 HG23 THR A 80 -6.417 2.010 4.151 1.00 1.00 H new ATOM 1186 N LEU A 81 -7.697 2.206 1.150 1.00 1.00 N ATOM 1187 CA LEU A 81 -7.222 3.356 0.400 1.00 1.00 C ATOM 1188 C LEU A 81 -8.338 4.399 0.312 1.00 1.00 C ATOM 1189 O LEU A 81 -8.108 5.582 0.555 1.00 1.00 O ATOM 1190 CB LEU A 81 -6.678 2.921 -0.962 1.00 1.00 C ATOM 1191 CG LEU A 81 -5.267 2.331 -0.964 1.00 1.00 C ATOM 1192 CD1 LEU A 81 -4.304 3.214 -1.760 1.00 1.00 C ATOM 1193 CD2 LEU A 81 -4.773 2.086 0.464 1.00 1.00 C ATOM 0 H LEU A 81 -7.515 1.305 0.709 1.00 1.00 H new ATOM 0 HA LEU A 81 -6.385 3.827 0.916 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -7.360 2.182 -1.384 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -6.690 3.784 -1.628 1.00 1.00 H new ATOM 0 HG LEU A 81 -5.303 1.363 -1.463 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -3.308 2.771 -1.745 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -4.651 3.294 -2.790 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -4.266 4.207 -1.312 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -3.767 1.666 0.434 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -4.756 3.029 1.010 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -5.443 1.388 0.966 1.00 1.00 H new ATOM 1205 N GLN A 82 -9.524 3.921 -0.036 1.00 1.00 N ATOM 1206 CA GLN A 82 -10.677 4.797 -0.158 1.00 1.00 C ATOM 1207 C GLN A 82 -11.477 4.807 1.146 1.00 1.00 C ATOM 1208 O GLN A 82 -12.364 5.640 1.327 1.00 1.00 O ATOM 1209 CB GLN A 82 -11.558 4.382 -1.339 1.00 1.00 C ATOM 1210 CG GLN A 82 -11.786 2.869 -1.347 1.00 1.00 C ATOM 1211 CD GLN A 82 -13.119 2.520 -2.012 1.00 1.00 C ATOM 1212 OE1 GLN A 82 -14.009 3.343 -2.150 1.00 1.00 O ATOM 1213 NE2 GLN A 82 -13.208 1.255 -2.415 1.00 1.00 N ATOM 0 H GLN A 82 -9.711 2.939 -0.237 1.00 1.00 H new ATOM 0 HA GLN A 82 -10.321 5.809 -0.350 1.00 1.00 H new ATOM 0 HB2 GLN A 82 -12.517 4.898 -1.281 1.00 1.00 H new ATOM 0 HB3 GLN A 82 -11.087 4.688 -2.274 1.00 1.00 H new ATOM 0 HG2 GLN A 82 -10.971 2.377 -1.878 1.00 1.00 H new ATOM 0 HG3 GLN A 82 -11.775 2.490 -0.325 1.00 1.00 H new ATOM 0 HE21 GLN A 82 -12.426 0.617 -2.269 1.00 1.00 H new ATOM 0 HE22 GLN A 82 -14.059 0.923 -2.870 1.00 1.00 H new ATOM 1222 N LYS A 83 -11.135 3.872 2.020 1.00 1.00 N ATOM 1223 CA LYS A 83 -11.811 3.763 3.302 1.00 1.00 C ATOM 1224 C LYS A 83 -11.167 4.732 4.297 1.00 1.00 C ATOM 1225 O LYS A 83 -11.862 5.367 5.088 1.00 1.00 O ATOM 1226 CB LYS A 83 -11.823 2.310 3.779 1.00 1.00 C ATOM 1227 CG LYS A 83 -11.268 2.194 5.200 1.00 1.00 C ATOM 1228 CD LYS A 83 -11.405 0.765 5.729 1.00 1.00 C ATOM 1229 CE LYS A 83 -11.429 -0.244 4.579 1.00 1.00 C ATOM 1230 NZ LYS A 83 -11.696 -1.607 5.091 1.00 1.00 N ATOM 0 H LYS A 83 -10.399 3.183 1.866 1.00 1.00 H new ATOM 0 HA LYS A 83 -12.858 4.052 3.207 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.841 1.923 3.750 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.229 1.696 3.102 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -10.219 2.490 5.209 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.799 2.881 5.859 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -10.575 0.540 6.398 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -12.320 0.676 6.315 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.196 0.036 3.857 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -10.475 -0.227 4.053 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -11.709 -2.279 4.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -10.950 -1.878 5.762 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.617 -1.622 5.573 1.00 1.00 H new ATOM 1244 N GLU A 84 -9.847 4.814 4.224 1.00 1.00 N ATOM 1245 CA GLU A 84 -9.102 5.694 5.108 1.00 1.00 C ATOM 1246 C GLU A 84 -8.892 7.057 4.446 1.00 1.00 C ATOM 1247 O GLU A 84 -8.160 7.898 4.967 1.00 1.00 O ATOM 1248 CB GLU A 84 -7.765 5.067 5.508 1.00 1.00 C ATOM 1249 CG GLU A 84 -7.912 3.560 5.732 1.00 1.00 C ATOM 1250 CD GLU A 84 -8.675 3.270 7.026 1.00 1.00 C ATOM 1251 OE1 GLU A 84 -9.133 4.253 7.647 1.00 1.00 O ATOM 1252 OE2 GLU A 84 -8.783 2.072 7.364 1.00 1.00 O ATOM 0 H GLU A 84 -9.274 4.285 3.566 1.00 1.00 H new ATOM 0 HA GLU A 84 -9.684 5.839 6.018 1.00 1.00 H new ATOM 0 HB2 GLU A 84 -7.025 5.252 4.730 1.00 1.00 H new ATOM 0 HB3 GLU A 84 -7.395 5.539 6.418 1.00 1.00 H new ATOM 0 HG2 GLU A 84 -8.437 3.113 4.888 1.00 1.00 H new ATOM 0 HG3 GLU A 84 -6.926 3.097 5.775 1.00 1.00 H new ATOM 1259 N GLY A 85 -9.547 7.234 3.308 1.00 1.00 N ATOM 1260 CA GLY A 85 -9.441 8.481 2.569 1.00 1.00 C ATOM 1261 C GLY A 85 -7.997 8.738 2.132 1.00 1.00 C ATOM 1262 O GLY A 85 -7.686 9.804 1.603 1.00 1.00 O ATOM 0 H GLY A 85 -10.153 6.535 2.879 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.089 8.445 1.693 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.789 9.307 3.190 1.00 1.00 H new ATOM 1266 N LEU A 86 -7.155 7.743 2.369 1.00 1.00 N ATOM 1267 CA LEU A 86 -5.752 7.848 2.006 1.00 1.00 C ATOM 1268 C LEU A 86 -5.625 7.878 0.481 1.00 1.00 C ATOM 1269 O LEU A 86 -4.831 8.644 -0.064 1.00 1.00 O ATOM 1270 CB LEU A 86 -4.942 6.733 2.669 1.00 1.00 C ATOM 1271 CG LEU A 86 -4.102 7.143 3.881 1.00 1.00 C ATOM 1272 CD1 LEU A 86 -3.461 5.921 4.542 1.00 1.00 C ATOM 1273 CD2 LEU A 86 -3.063 8.198 3.496 1.00 1.00 C ATOM 0 H LEU A 86 -7.417 6.860 2.808 1.00 1.00 H new ATOM 0 HA LEU A 86 -5.331 8.781 2.380 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -5.630 5.946 2.978 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -4.278 6.300 1.921 1.00 1.00 H new ATOM 0 HG LEU A 86 -4.764 7.597 4.618 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -2.870 6.240 5.400 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -4.241 5.235 4.873 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -2.815 5.416 3.824 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -2.480 8.472 4.375 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -2.399 7.793 2.732 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -3.569 9.082 3.106 1.00 1.00 H new ATOM 1285 N ALA A 87 -6.418 7.035 -0.163 1.00 1.00 N ATOM 1286 CA ALA A 87 -6.404 6.955 -1.614 1.00 1.00 C ATOM 1287 C ALA A 87 -7.840 6.830 -2.127 1.00 1.00 C ATOM 1288 O ALA A 87 -8.780 6.742 -1.338 1.00 1.00 O ATOM 1289 CB ALA A 87 -5.524 5.782 -2.052 1.00 1.00 C ATOM 0 H ALA A 87 -7.074 6.401 0.293 1.00 1.00 H new ATOM 0 HA ALA A 87 -5.978 7.861 -2.045 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -5.513 5.722 -3.140 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -4.508 5.933 -1.687 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -5.923 4.855 -1.641 1.00 1.00 H new ATOM 1295 N GLU A 88 -7.965 6.827 -3.446 1.00 1.00 N ATOM 1296 CA GLU A 88 -9.270 6.715 -4.074 1.00 1.00 C ATOM 1297 C GLU A 88 -9.729 5.256 -4.088 1.00 1.00 C ATOM 1298 O GLU A 88 -9.105 4.399 -3.464 1.00 1.00 O ATOM 1299 CB GLU A 88 -9.250 7.298 -5.489 1.00 1.00 C ATOM 1300 CG GLU A 88 -8.947 8.797 -5.460 1.00 1.00 C ATOM 1301 CD GLU A 88 -9.524 9.497 -6.693 1.00 1.00 C ATOM 1302 OE1 GLU A 88 -8.845 9.452 -7.741 1.00 1.00 O ATOM 1303 OE2 GLU A 88 -10.632 10.060 -6.558 1.00 1.00 O ATOM 0 H GLU A 88 -7.183 6.900 -4.097 1.00 1.00 H new ATOM 0 HA GLU A 88 -9.984 7.294 -3.488 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -8.499 6.783 -6.088 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -10.213 7.127 -5.970 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -9.367 9.239 -4.557 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -7.869 8.953 -5.420 1.00 1.00 H new ATOM 1310 N GLN A 89 -10.815 5.017 -4.808 1.00 1.00 N ATOM 1311 CA GLN A 89 -11.364 3.676 -4.912 1.00 1.00 C ATOM 1312 C GLN A 89 -10.305 2.708 -5.443 1.00 1.00 C ATOM 1313 O GLN A 89 -9.356 3.124 -6.107 1.00 1.00 O ATOM 1314 CB GLN A 89 -12.613 3.661 -5.797 1.00 1.00 C ATOM 1315 CG GLN A 89 -13.283 2.286 -5.777 1.00 1.00 C ATOM 1316 CD GLN A 89 -13.196 1.614 -7.148 1.00 1.00 C ATOM 1317 OE1 GLN A 89 -12.456 0.667 -7.358 1.00 1.00 O ATOM 1318 NE2 GLN A 89 -13.991 2.154 -8.067 1.00 1.00 N ATOM 0 H GLN A 89 -11.330 5.730 -5.325 1.00 1.00 H new ATOM 0 HA GLN A 89 -11.661 3.349 -3.916 1.00 1.00 H new ATOM 0 HB2 GLN A 89 -13.317 4.418 -5.451 1.00 1.00 H new ATOM 0 HB3 GLN A 89 -12.341 3.922 -6.820 1.00 1.00 H new ATOM 0 HG2 GLN A 89 -12.804 1.655 -5.028 1.00 1.00 H new ATOM 0 HG3 GLN A 89 -14.328 2.391 -5.485 1.00 1.00 H new ATOM 0 HE21 GLN A 89 -14.586 2.946 -7.825 1.00 1.00 H new ATOM 0 HE22 GLN A 89 -14.006 1.776 -9.014 1.00 1.00 H new TER 1327 GLN A 89