USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 62 ASN : amide:sc= 0.933 X(o=1.9,f=1.6) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.952 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.0704 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.147 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.09 K(o=1.1,f=-3.1!) USER MOD Single : A 4 TYR OH : rot 105:sc= 1.36 USER MOD Single : A 13 GLN : amide:sc= -0.404! C(o=-0.4!,f=-4.8!) USER MOD Single : A 19 TYR OH : rot -107:sc= 0.143 USER MOD Single : A 22 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.6) USER MOD Single : A 23 MET CE :methyl 161:sc= -0.774 (180deg=-1.46!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.982 (180deg=0.819) USER MOD Single : A 36 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 51 ASN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.89 K(o=0.89,f=-0.17) USER MOD Single : A 55 SER OG : rot 85:sc= 1.6 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.09) USER MOD Single : A 67 SER OG : rot 178:sc= 0.301 USER MOD Single : A 68 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.019) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -60:sc= 0.847 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.89 K(o=0.89,f=-2.8!) USER MOD Single : A 84 HIS : no HE2:sc= 0.613 K(o=0.61,f=-2.6!) USER MOD Single : A 87 SER OG : rot -90:sc= 0.289 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0128 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.843 -0.620 1.645 1.00 0.00 N ATOM 2 CA MET A 1 2.303 -0.217 0.320 1.00 0.00 C ATOM 3 C MET A 1 2.544 -1.346 -0.708 1.00 0.00 C ATOM 4 O MET A 1 3.155 -2.358 -0.360 1.00 0.00 O ATOM 5 CB MET A 1 2.867 1.157 -0.112 1.00 0.00 C ATOM 6 CG MET A 1 1.827 1.984 -0.875 1.00 0.00 C ATOM 7 SD MET A 1 2.432 3.501 -1.671 1.00 0.00 S ATOM 8 CE MET A 1 3.648 2.815 -2.833 1.00 0.00 C ATOM 0 H1 MET A 1 2.093 -0.548 2.362 1.00 0.00 H new ATOM 0 H2 MET A 1 3.183 -1.602 1.597 1.00 0.00 H new ATOM 0 H3 MET A 1 3.631 0.007 1.904 1.00 0.00 H new ATOM 0 HA MET A 1 1.224 -0.079 0.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.195 1.709 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.745 1.008 -0.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.381 1.350 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.030 2.255 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.675 3.427 -3.735 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.634 2.811 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.366 1.795 -3.095 1.00 0.00 H new ATOM 20 N LEU A 2 2.043 -1.241 -1.949 1.00 0.00 N ATOM 21 CA LEU A 2 1.954 -2.360 -2.899 1.00 0.00 C ATOM 22 C LEU A 2 2.558 -1.982 -4.260 1.00 0.00 C ATOM 23 O LEU A 2 2.952 -0.834 -4.486 1.00 0.00 O ATOM 24 CB LEU A 2 0.476 -2.765 -3.081 1.00 0.00 C ATOM 25 CG LEU A 2 -0.079 -3.870 -2.168 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.191 -3.464 -0.696 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.475 -4.241 -2.681 1.00 0.00 C ATOM 0 H LEU A 2 1.683 -0.364 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 2 2.522 -3.199 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.136 -1.874 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.340 -3.084 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 2 0.621 -4.704 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.590 -4.297 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.795 -3.198 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.858 -2.607 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.897 -5.025 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.120 -3.363 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.402 -4.599 -3.708 1.00 0.00 H new ATOM 39 N GLN A 3 2.606 -2.953 -5.179 1.00 0.00 N ATOM 40 CA GLN A 3 3.121 -2.819 -6.537 1.00 0.00 C ATOM 41 C GLN A 3 2.331 -3.750 -7.471 1.00 0.00 C ATOM 42 O GLN A 3 1.825 -4.778 -7.012 1.00 0.00 O ATOM 43 CB GLN A 3 4.631 -3.124 -6.461 1.00 0.00 C ATOM 44 CG GLN A 3 5.423 -3.138 -7.778 1.00 0.00 C ATOM 45 CD GLN A 3 5.670 -4.554 -8.300 1.00 0.00 C ATOM 46 OE1 GLN A 3 4.748 -5.335 -8.519 1.00 0.00 O ATOM 47 NE2 GLN A 3 6.922 -4.922 -8.492 1.00 0.00 N ATOM 0 H GLN A 3 2.270 -3.896 -4.982 1.00 0.00 H new ATOM 0 HA GLN A 3 2.996 -1.819 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.089 -2.387 -5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.753 -4.097 -5.985 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.880 -2.567 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.380 -2.638 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.681 -4.266 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.132 -5.863 -8.825 1.00 0.00 H new ATOM 56 N TYR A 4 2.236 -3.407 -8.765 1.00 0.00 N ATOM 57 CA TYR A 4 1.724 -4.286 -9.818 1.00 0.00 C ATOM 58 C TYR A 4 2.730 -4.418 -10.960 1.00 0.00 C ATOM 59 O TYR A 4 3.604 -3.567 -11.152 1.00 0.00 O ATOM 60 CB TYR A 4 0.325 -3.864 -10.342 1.00 0.00 C ATOM 61 CG TYR A 4 0.169 -2.552 -11.122 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.956 -2.233 -12.254 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.861 -1.662 -10.762 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.829 -0.990 -12.897 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.999 -0.417 -11.398 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.124 -0.055 -12.443 1.00 0.00 C ATOM 67 OH TYR A 4 -0.194 1.188 -12.994 1.00 0.00 O ATOM 0 H TYR A 4 2.520 -2.491 -9.112 1.00 0.00 H new ATOM 0 HA TYR A 4 1.590 -5.267 -9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.039 -4.668 -10.981 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.343 -3.813 -9.482 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.665 -2.956 -12.629 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.556 -1.941 -9.984 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.461 -0.751 -13.739 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.777 0.264 -11.086 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.973 1.240 -13.586 1.00 0.00 H new ATOM 77 N ARG A 5 2.489 -5.425 -11.802 1.00 0.00 N ATOM 78 CA ARG A 5 2.968 -5.546 -13.173 1.00 0.00 C ATOM 79 C ARG A 5 1.740 -5.987 -13.966 1.00 0.00 C ATOM 80 O ARG A 5 1.025 -6.886 -13.525 1.00 0.00 O ATOM 81 CB ARG A 5 4.099 -6.588 -13.229 1.00 0.00 C ATOM 82 CG ARG A 5 4.608 -6.863 -14.657 1.00 0.00 C ATOM 83 CD ARG A 5 5.514 -8.101 -14.720 1.00 0.00 C ATOM 84 NE ARG A 5 4.773 -9.341 -14.409 1.00 0.00 N ATOM 85 CZ ARG A 5 5.197 -10.594 -14.612 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.390 -10.836 -15.151 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.405 -11.600 -14.261 1.00 0.00 N ATOM 0 H ARG A 5 1.919 -6.224 -11.524 1.00 0.00 H new ATOM 0 HA ARG A 5 3.384 -4.623 -13.576 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.931 -6.243 -12.615 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.745 -7.521 -12.791 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.757 -7.003 -15.324 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.157 -5.994 -15.019 1.00 0.00 H new ATOM 0 HD2 ARG A 5 5.953 -8.180 -15.715 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.338 -7.984 -14.016 1.00 0.00 H new ATOM 0 HE ARG A 5 3.846 -9.231 -13.999 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.997 -10.060 -15.416 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.697 -11.797 -15.299 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.493 -11.410 -13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.708 -12.563 -14.407 1.00 0.00 H new ATOM 101 N ILE A 6 1.471 -5.367 -15.106 1.00 0.00 N ATOM 102 CA ILE A 6 0.280 -5.593 -15.916 1.00 0.00 C ATOM 103 C ILE A 6 0.771 -5.689 -17.354 1.00 0.00 C ATOM 104 O ILE A 6 1.676 -4.951 -17.749 1.00 0.00 O ATOM 105 CB ILE A 6 -0.721 -4.425 -15.715 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.266 -4.394 -14.270 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.892 -4.487 -16.717 1.00 0.00 C ATOM 108 CD1 ILE A 6 -2.017 -3.107 -13.924 1.00 0.00 C ATOM 0 H ILE A 6 2.097 -4.669 -15.507 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.252 -6.503 -15.637 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.166 -3.506 -15.901 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.933 -5.244 -14.124 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.435 -4.518 -13.575 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.568 -3.650 -16.539 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.504 -4.430 -17.734 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.433 -5.424 -16.587 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.370 -3.158 -12.894 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.348 -2.254 -14.037 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.869 -2.991 -14.594 1.00 0.00 H new ATOM 120 N ILE A 7 0.171 -6.571 -18.147 1.00 0.00 N ATOM 121 CA ILE A 7 0.424 -6.686 -19.568 1.00 0.00 C ATOM 122 C ILE A 7 -0.937 -6.875 -20.239 1.00 0.00 C ATOM 123 O ILE A 7 -1.763 -7.656 -19.759 1.00 0.00 O ATOM 124 CB ILE A 7 1.431 -7.818 -19.900 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.694 -8.900 -18.818 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.757 -7.224 -20.389 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.750 -8.569 -17.745 1.00 0.00 C ATOM 0 H ILE A 7 -0.520 -7.239 -17.805 1.00 0.00 H new ATOM 0 HA ILE A 7 0.907 -5.786 -19.950 1.00 0.00 H new ATOM 0 HB ILE A 7 0.920 -8.376 -20.685 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.751 -9.111 -18.313 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.998 -9.817 -19.322 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.454 -8.030 -20.618 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.581 -6.630 -21.286 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.180 -6.589 -19.611 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.838 -9.405 -17.051 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.713 -8.392 -18.224 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.447 -7.675 -17.200 1.00 0.00 H new ATOM 139 N VAL A 8 -1.185 -6.128 -21.314 1.00 0.00 N ATOM 140 CA VAL A 8 -2.498 -5.986 -21.933 1.00 0.00 C ATOM 141 C VAL A 8 -2.357 -5.944 -23.451 1.00 0.00 C ATOM 142 O VAL A 8 -1.439 -5.310 -23.974 1.00 0.00 O ATOM 143 CB VAL A 8 -3.209 -4.715 -21.407 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.780 -4.951 -20.013 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.341 -3.447 -21.372 1.00 0.00 C ATOM 0 H VAL A 8 -0.459 -5.592 -21.789 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.110 -6.848 -21.668 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.000 -4.532 -22.134 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.275 -4.045 -19.664 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.501 -5.767 -20.049 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.973 -5.210 -19.328 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.930 -2.613 -20.989 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.481 -3.612 -20.723 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.996 -3.215 -22.379 1.00 0.00 H new ATOM 155 N ASP A 9 -3.295 -6.569 -24.159 1.00 0.00 N ATOM 156 CA ASP A 9 -3.415 -6.520 -25.613 1.00 0.00 C ATOM 157 C ASP A 9 -4.890 -6.335 -25.960 1.00 0.00 C ATOM 158 O ASP A 9 -5.767 -6.703 -25.174 1.00 0.00 O ATOM 159 CB ASP A 9 -2.851 -7.798 -26.245 1.00 0.00 C ATOM 160 CG ASP A 9 -3.019 -7.801 -27.776 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.782 -6.755 -28.420 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.384 -8.856 -28.339 1.00 0.00 O ATOM 0 H ASP A 9 -4.016 -7.142 -23.721 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.838 -5.686 -26.012 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.794 -7.891 -25.995 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.356 -8.666 -25.822 1.00 0.00 H new ATOM 167 N GLY A 10 -5.170 -5.710 -27.100 1.00 0.00 N ATOM 168 CA GLY A 10 -6.476 -5.221 -27.497 1.00 0.00 C ATOM 169 C GLY A 10 -6.253 -3.931 -28.272 1.00 0.00 C ATOM 170 O GLY A 10 -5.160 -3.704 -28.803 1.00 0.00 O ATOM 0 H GLY A 10 -4.454 -5.524 -27.802 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.992 -5.957 -28.114 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.103 -5.042 -26.623 1.00 0.00 H new ATOM 174 N ARG A 11 -7.243 -3.037 -28.279 1.00 0.00 N ATOM 175 CA ARG A 11 -6.970 -1.633 -28.569 1.00 0.00 C ATOM 176 C ARG A 11 -6.352 -1.059 -27.296 1.00 0.00 C ATOM 177 O ARG A 11 -7.071 -0.495 -26.470 1.00 0.00 O ATOM 178 CB ARG A 11 -8.246 -0.894 -29.015 1.00 0.00 C ATOM 179 CG ARG A 11 -7.952 0.524 -29.539 1.00 0.00 C ATOM 180 CD ARG A 11 -9.241 1.341 -29.704 1.00 0.00 C ATOM 181 NE ARG A 11 -10.175 0.743 -30.677 1.00 0.00 N ATOM 182 CZ ARG A 11 -11.514 0.783 -30.619 1.00 0.00 C ATOM 183 NH1 ARG A 11 -12.148 1.381 -29.610 1.00 0.00 N ATOM 184 NH2 ARG A 11 -12.224 0.213 -31.586 1.00 0.00 N ATOM 0 H ARG A 11 -8.221 -3.256 -28.091 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.282 -1.513 -29.406 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.742 -1.471 -29.795 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.938 -0.832 -28.175 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.281 1.036 -28.849 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.436 0.459 -30.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.737 1.428 -28.737 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.987 2.351 -30.024 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.762 0.252 -31.470 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.613 1.821 -28.861 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.168 1.399 -29.587 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.750 -0.249 -32.362 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.243 0.237 -31.552 1.00 0.00 H new ATOM 198 N VAL A 12 -5.046 -1.261 -27.114 1.00 0.00 N ATOM 199 CA VAL A 12 -4.290 -0.796 -25.948 1.00 0.00 C ATOM 200 C VAL A 12 -3.372 0.379 -26.314 1.00 0.00 C ATOM 201 O VAL A 12 -2.705 0.932 -25.443 1.00 0.00 O ATOM 202 CB VAL A 12 -3.532 -1.972 -25.294 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.527 -2.964 -24.681 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.596 -2.719 -26.261 1.00 0.00 C ATOM 0 H VAL A 12 -4.470 -1.764 -27.789 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.988 -0.414 -25.203 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.902 -1.532 -24.521 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.982 -3.789 -24.223 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.125 -2.458 -23.923 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.182 -3.351 -25.461 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.098 -3.531 -25.731 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.178 -3.128 -27.087 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.848 -2.028 -26.650 1.00 0.00 H new ATOM 214 N GLN A 13 -3.353 0.784 -27.585 1.00 0.00 N ATOM 215 CA GLN A 13 -2.768 2.016 -28.100 1.00 0.00 C ATOM 216 C GLN A 13 -3.832 2.597 -29.045 1.00 0.00 C ATOM 217 O GLN A 13 -4.702 1.863 -29.525 1.00 0.00 O ATOM 218 CB GLN A 13 -1.449 1.733 -28.853 1.00 0.00 C ATOM 219 CG GLN A 13 -0.323 1.051 -28.048 1.00 0.00 C ATOM 220 CD GLN A 13 0.361 1.964 -27.029 1.00 0.00 C ATOM 221 OE1 GLN A 13 1.444 2.496 -27.259 1.00 0.00 O ATOM 222 NE2 GLN A 13 -0.234 2.164 -25.870 1.00 0.00 N ATOM 0 H GLN A 13 -3.773 0.223 -28.326 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.512 2.711 -27.300 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.677 1.107 -29.716 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.067 2.679 -29.238 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.736 0.188 -27.526 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.428 0.674 -28.743 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.133 1.724 -25.676 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.205 2.759 -25.167 1.00 0.00 H new ATOM 231 N GLY A 14 -3.800 3.905 -29.292 1.00 0.00 N ATOM 232 CA GLY A 14 -4.842 4.615 -30.023 1.00 0.00 C ATOM 233 C GLY A 14 -4.681 6.107 -29.778 1.00 0.00 C ATOM 234 O GLY A 14 -3.559 6.569 -29.566 1.00 0.00 O ATOM 0 H GLY A 14 -3.037 4.508 -28.984 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.771 4.397 -31.089 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.827 4.283 -29.695 1.00 0.00 H new ATOM 238 N VAL A 15 -5.782 6.863 -29.779 1.00 0.00 N ATOM 239 CA VAL A 15 -5.757 8.322 -29.647 1.00 0.00 C ATOM 240 C VAL A 15 -5.061 8.806 -28.362 1.00 0.00 C ATOM 241 O VAL A 15 -4.432 9.863 -28.388 1.00 0.00 O ATOM 242 CB VAL A 15 -7.181 8.905 -29.794 1.00 0.00 C ATOM 243 CG1 VAL A 15 -7.713 8.680 -31.219 1.00 0.00 C ATOM 244 CG2 VAL A 15 -8.192 8.327 -28.790 1.00 0.00 C ATOM 0 H VAL A 15 -6.722 6.477 -29.872 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.145 8.705 -30.464 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.084 9.970 -29.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.717 9.097 -31.303 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.055 9.172 -31.935 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.746 7.611 -31.431 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.168 8.783 -28.954 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.267 7.249 -28.929 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.858 8.539 -27.774 1.00 0.00 H new ATOM 254 N GLY A 16 -5.109 8.034 -27.267 1.00 0.00 N ATOM 255 CA GLY A 16 -4.436 8.363 -26.008 1.00 0.00 C ATOM 256 C GLY A 16 -3.077 7.673 -25.861 1.00 0.00 C ATOM 257 O GLY A 16 -2.510 7.688 -24.765 1.00 0.00 O ATOM 0 H GLY A 16 -5.623 7.154 -27.233 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.298 9.443 -25.947 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.076 8.076 -25.174 1.00 0.00 H new ATOM 261 N PHE A 17 -2.570 7.070 -26.946 1.00 0.00 N ATOM 262 CA PHE A 17 -1.345 6.279 -27.034 1.00 0.00 C ATOM 263 C PHE A 17 -1.151 5.454 -25.756 1.00 0.00 C ATOM 264 O PHE A 17 -2.017 4.642 -25.429 1.00 0.00 O ATOM 265 CB PHE A 17 -0.167 7.186 -27.441 1.00 0.00 C ATOM 266 CG PHE A 17 -0.292 7.758 -28.845 1.00 0.00 C ATOM 267 CD1 PHE A 17 -1.062 8.915 -29.078 1.00 0.00 C ATOM 268 CD2 PHE A 17 0.351 7.123 -29.926 1.00 0.00 C ATOM 269 CE1 PHE A 17 -1.189 9.432 -30.380 1.00 0.00 C ATOM 270 CE2 PHE A 17 0.225 7.643 -31.228 1.00 0.00 C ATOM 271 CZ PHE A 17 -0.544 8.797 -31.455 1.00 0.00 C ATOM 0 H PHE A 17 -3.043 7.130 -27.847 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.411 5.534 -27.827 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.090 8.008 -26.729 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.760 6.616 -27.372 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.557 9.407 -28.253 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.942 6.235 -29.755 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.783 10.317 -30.554 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.720 7.154 -32.054 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.639 9.195 -32.454 1.00 0.00 H new ATOM 281 N ARG A 18 -0.060 5.684 -25.017 1.00 0.00 N ATOM 282 CA ARG A 18 0.163 5.121 -23.683 1.00 0.00 C ATOM 283 C ARG A 18 0.196 6.214 -22.613 1.00 0.00 C ATOM 284 O ARG A 18 0.343 5.892 -21.435 1.00 0.00 O ATOM 285 CB ARG A 18 1.394 4.183 -23.649 1.00 0.00 C ATOM 286 CG ARG A 18 2.557 4.495 -24.611 1.00 0.00 C ATOM 287 CD ARG A 18 3.627 3.395 -24.504 1.00 0.00 C ATOM 288 NE ARG A 18 4.870 3.734 -25.217 1.00 0.00 N ATOM 289 CZ ARG A 18 5.132 3.547 -26.517 1.00 0.00 C ATOM 290 NH1 ARG A 18 4.206 3.111 -27.368 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.363 3.797 -26.945 1.00 0.00 N ATOM 0 H ARG A 18 0.706 6.277 -25.336 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.691 4.488 -23.440 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.789 4.184 -22.633 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.050 3.170 -23.856 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.188 4.559 -25.635 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.992 5.464 -24.368 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.854 3.217 -23.453 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.226 2.464 -24.906 1.00 0.00 H new ATOM 0 HE ARG A 18 5.612 4.157 -24.660 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.263 2.908 -27.036 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.439 2.979 -28.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.075 4.121 -26.290 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.597 3.665 -27.929 1.00 0.00 H new ATOM 305 N TYR A 19 0.001 7.492 -22.962 1.00 0.00 N ATOM 306 CA TYR A 19 -0.169 8.503 -21.926 1.00 0.00 C ATOM 307 C TYR A 19 -1.496 8.322 -21.193 1.00 0.00 C ATOM 308 O TYR A 19 -1.563 8.715 -20.036 1.00 0.00 O ATOM 309 CB TYR A 19 0.027 9.936 -22.434 1.00 0.00 C ATOM 310 CG TYR A 19 -0.900 10.421 -23.528 1.00 0.00 C ATOM 311 CD1 TYR A 19 -2.189 10.889 -23.207 1.00 0.00 C ATOM 312 CD2 TYR A 19 -0.429 10.503 -24.852 1.00 0.00 C ATOM 313 CE1 TYR A 19 -3.006 11.446 -24.206 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.237 11.068 -25.855 1.00 0.00 C ATOM 315 CZ TYR A 19 -2.528 11.551 -25.532 1.00 0.00 C ATOM 316 OH TYR A 19 -3.314 12.136 -26.478 1.00 0.00 O ATOM 0 H TYR A 19 -0.041 7.837 -23.921 1.00 0.00 H new ATOM 0 HA TYR A 19 0.633 8.346 -21.205 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.073 10.611 -21.584 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.051 10.028 -22.795 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.550 10.820 -22.192 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.555 10.131 -25.098 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.999 11.794 -23.960 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.873 11.133 -26.870 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.669 11.448 -27.079 1.00 0.00 H new ATOM 326 N PHE A 20 -2.514 7.683 -21.786 1.00 0.00 N ATOM 327 CA PHE A 20 -3.761 7.359 -21.088 1.00 0.00 C ATOM 328 C PHE A 20 -3.498 6.666 -19.752 1.00 0.00 C ATOM 329 O PHE A 20 -3.978 7.129 -18.716 1.00 0.00 O ATOM 330 CB PHE A 20 -4.683 6.526 -21.998 1.00 0.00 C ATOM 331 CG PHE A 20 -5.636 5.573 -21.281 1.00 0.00 C ATOM 332 CD1 PHE A 20 -6.592 6.074 -20.377 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.540 4.179 -21.479 1.00 0.00 C ATOM 334 CE1 PHE A 20 -7.451 5.196 -19.692 1.00 0.00 C ATOM 335 CE2 PHE A 20 -6.383 3.299 -20.773 1.00 0.00 C ATOM 336 CZ PHE A 20 -7.345 3.809 -19.885 1.00 0.00 C ATOM 0 H PHE A 20 -2.494 7.378 -22.759 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.273 8.292 -20.855 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.273 7.209 -22.609 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.062 5.945 -22.679 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.666 7.138 -20.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.816 3.785 -22.176 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.195 5.590 -19.015 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.290 2.232 -20.914 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.001 3.136 -19.352 1.00 0.00 H new ATOM 346 N VAL A 21 -2.703 5.597 -19.740 1.00 0.00 N ATOM 347 CA VAL A 21 -2.447 4.904 -18.493 1.00 0.00 C ATOM 348 C VAL A 21 -1.606 5.772 -17.554 1.00 0.00 C ATOM 349 O VAL A 21 -1.831 5.732 -16.351 1.00 0.00 O ATOM 350 CB VAL A 21 -1.868 3.508 -18.746 1.00 0.00 C ATOM 351 CG1 VAL A 21 -2.945 2.590 -19.348 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.626 3.465 -19.638 1.00 0.00 C ATOM 0 H VAL A 21 -2.239 5.205 -20.560 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.391 4.735 -17.975 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.545 3.161 -17.764 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.523 1.601 -19.524 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.783 2.509 -18.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.294 3.009 -20.292 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.297 2.432 -19.754 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.866 3.881 -20.616 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.171 4.051 -19.180 1.00 0.00 H new ATOM 362 N GLN A 22 -0.711 6.626 -18.060 1.00 0.00 N ATOM 363 CA GLN A 22 -0.021 7.577 -17.196 1.00 0.00 C ATOM 364 C GLN A 22 -0.974 8.626 -16.607 1.00 0.00 C ATOM 365 O GLN A 22 -0.754 9.051 -15.475 1.00 0.00 O ATOM 366 CB GLN A 22 1.157 8.232 -17.929 1.00 0.00 C ATOM 367 CG GLN A 22 2.332 7.276 -18.202 1.00 0.00 C ATOM 368 CD GLN A 22 2.659 6.301 -17.066 1.00 0.00 C ATOM 369 OE1 GLN A 22 2.975 6.697 -15.953 1.00 0.00 O ATOM 370 NE2 GLN A 22 2.558 5.005 -17.313 1.00 0.00 N ATOM 0 H GLN A 22 -0.453 6.676 -19.046 1.00 0.00 H new ATOM 0 HA GLN A 22 0.380 7.014 -16.353 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.803 8.636 -18.877 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.517 9.074 -17.338 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.110 6.700 -19.100 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.220 7.870 -18.416 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.294 4.682 -18.244 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.744 4.329 -16.573 1.00 0.00 H new ATOM 379 N MET A 23 -2.045 9.010 -17.310 1.00 0.00 N ATOM 380 CA MET A 23 -3.057 9.904 -16.761 1.00 0.00 C ATOM 381 C MET A 23 -3.763 9.194 -15.615 1.00 0.00 C ATOM 382 O MET A 23 -3.870 9.757 -14.530 1.00 0.00 O ATOM 383 CB MET A 23 -4.117 10.329 -17.792 1.00 0.00 C ATOM 384 CG MET A 23 -3.604 11.186 -18.950 1.00 0.00 C ATOM 385 SD MET A 23 -4.935 11.991 -19.889 1.00 0.00 S ATOM 386 CE MET A 23 -5.758 10.548 -20.626 1.00 0.00 C ATOM 0 H MET A 23 -2.229 8.710 -18.267 1.00 0.00 H new ATOM 0 HA MET A 23 -2.542 10.806 -16.431 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.578 9.431 -18.204 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.901 10.881 -17.274 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.931 11.949 -18.559 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.019 10.561 -19.625 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.764 10.825 -20.942 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.188 10.205 -21.489 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.817 9.747 -19.889 1.00 0.00 H new ATOM 396 N GLU A 24 -4.226 7.958 -15.827 1.00 0.00 N ATOM 397 CA GLU A 24 -4.988 7.239 -14.816 1.00 0.00 C ATOM 398 C GLU A 24 -4.104 6.887 -13.613 1.00 0.00 C ATOM 399 O GLU A 24 -4.579 6.915 -12.477 1.00 0.00 O ATOM 400 CB GLU A 24 -5.629 5.999 -15.457 1.00 0.00 C ATOM 401 CG GLU A 24 -6.670 6.356 -16.535 1.00 0.00 C ATOM 402 CD GLU A 24 -7.854 7.142 -15.957 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.743 6.535 -15.320 1.00 0.00 O ATOM 404 OE2 GLU A 24 -7.890 8.385 -16.085 1.00 0.00 O ATOM 0 H GLU A 24 -4.083 7.439 -16.693 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.787 7.874 -14.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.849 5.381 -15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.106 5.400 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.193 6.945 -17.318 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.036 5.441 -17.002 1.00 0.00 H new ATOM 411 N ALA A 25 -2.816 6.621 -13.849 1.00 0.00 N ATOM 412 CA ALA A 25 -1.818 6.407 -12.816 1.00 0.00 C ATOM 413 C ALA A 25 -1.647 7.670 -11.973 1.00 0.00 C ATOM 414 O ALA A 25 -1.772 7.621 -10.749 1.00 0.00 O ATOM 415 CB ALA A 25 -0.494 6.011 -13.487 1.00 0.00 C ATOM 0 H ALA A 25 -2.436 6.548 -14.793 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.138 5.606 -12.149 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.266 5.847 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.636 5.095 -14.060 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.171 6.810 -14.154 1.00 0.00 H new ATOM 421 N ASP A 26 -1.392 8.808 -12.618 1.00 0.00 N ATOM 422 CA ASP A 26 -1.139 10.083 -11.942 1.00 0.00 C ATOM 423 C ASP A 26 -2.375 10.564 -11.185 1.00 0.00 C ATOM 424 O ASP A 26 -2.272 11.006 -10.039 1.00 0.00 O ATOM 425 CB ASP A 26 -0.706 11.149 -12.951 1.00 0.00 C ATOM 426 CG ASP A 26 -0.572 12.522 -12.271 1.00 0.00 C ATOM 427 OD1 ASP A 26 0.355 12.714 -11.453 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.394 13.421 -12.557 1.00 0.00 O ATOM 0 H ASP A 26 -1.355 8.873 -13.635 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.335 9.921 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.246 10.866 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.435 11.208 -13.760 1.00 0.00 H new ATOM 433 N LYS A 27 -3.558 10.393 -11.784 1.00 0.00 N ATOM 434 CA LYS A 27 -4.859 10.680 -11.178 1.00 0.00 C ATOM 435 C LYS A 27 -5.028 9.972 -9.832 1.00 0.00 C ATOM 436 O LYS A 27 -5.741 10.485 -8.969 1.00 0.00 O ATOM 437 CB LYS A 27 -5.949 10.323 -12.212 1.00 0.00 C ATOM 438 CG LYS A 27 -7.408 10.370 -11.725 1.00 0.00 C ATOM 439 CD LYS A 27 -7.934 9.009 -11.225 1.00 0.00 C ATOM 440 CE LYS A 27 -8.160 7.963 -12.330 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.248 8.327 -13.269 1.00 0.00 N ATOM 0 H LYS A 27 -3.637 10.039 -12.737 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.945 11.739 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.851 11.003 -13.058 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.747 9.319 -12.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.491 11.100 -10.920 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.043 10.719 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.227 8.605 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.874 9.170 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.235 7.831 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.393 7.003 -11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.349 7.583 -13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.141 8.426 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.018 9.228 -13.734 1.00 0.00 H new ATOM 455 N ARG A 28 -4.370 8.827 -9.626 1.00 0.00 N ATOM 456 CA ARG A 28 -4.453 8.041 -8.394 1.00 0.00 C ATOM 457 C ARG A 28 -3.085 7.921 -7.708 1.00 0.00 C ATOM 458 O ARG A 28 -2.876 7.015 -6.904 1.00 0.00 O ATOM 459 CB ARG A 28 -5.169 6.708 -8.708 1.00 0.00 C ATOM 460 CG ARG A 28 -6.334 6.439 -7.738 1.00 0.00 C ATOM 461 CD ARG A 28 -7.299 5.419 -8.356 1.00 0.00 C ATOM 462 NE ARG A 28 -8.348 4.961 -7.421 1.00 0.00 N ATOM 463 CZ ARG A 28 -9.537 5.539 -7.198 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.746 6.815 -7.502 1.00 0.00 N ATOM 465 NH2 ARG A 28 -10.515 4.805 -6.675 1.00 0.00 N ATOM 0 H ARG A 28 -3.753 8.414 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.061 8.547 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.546 6.731 -9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.452 5.889 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.950 6.062 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.862 7.368 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.772 5.862 -9.232 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.730 4.556 -8.703 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.146 4.115 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.996 7.371 -7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.657 7.239 -7.326 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.352 3.823 -6.452 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.428 5.224 -6.497 1.00 0.00 H new ATOM 479 N LYS A 29 -2.170 8.860 -7.995 1.00 0.00 N ATOM 480 CA LYS A 29 -0.843 9.001 -7.385 1.00 0.00 C ATOM 481 C LYS A 29 -0.038 7.690 -7.382 1.00 0.00 C ATOM 482 O LYS A 29 0.699 7.405 -6.436 1.00 0.00 O ATOM 483 CB LYS A 29 -0.987 9.682 -6.008 1.00 0.00 C ATOM 484 CG LYS A 29 0.284 10.435 -5.577 1.00 0.00 C ATOM 485 CD LYS A 29 0.087 11.109 -4.212 1.00 0.00 C ATOM 486 CE LYS A 29 1.364 11.855 -3.804 1.00 0.00 C ATOM 487 NZ LYS A 29 1.226 12.526 -2.487 1.00 0.00 N ATOM 0 H LYS A 29 -2.348 9.579 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.230 9.656 -8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.824 10.380 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.228 8.928 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.123 9.741 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.537 11.187 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.751 11.805 -4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.162 10.360 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.197 11.152 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.607 12.597 -4.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.113 13.017 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.449 13.216 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.020 11.816 -1.756 1.00 0.00 H new ATOM 501 N LEU A 30 -0.171 6.880 -8.435 1.00 0.00 N ATOM 502 CA LEU A 30 0.752 5.777 -8.692 1.00 0.00 C ATOM 503 C LEU A 30 2.081 6.355 -9.200 1.00 0.00 C ATOM 504 O LEU A 30 2.126 7.497 -9.667 1.00 0.00 O ATOM 505 CB LEU A 30 0.164 4.804 -9.728 1.00 0.00 C ATOM 506 CG LEU A 30 -1.196 4.176 -9.371 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.563 3.121 -10.415 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.176 3.510 -7.994 1.00 0.00 C ATOM 0 H LEU A 30 -0.915 6.970 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 30 0.918 5.221 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.060 5.333 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.882 4.000 -9.890 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.931 4.980 -9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.526 2.677 -10.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.627 3.588 -11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.799 2.344 -10.432 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.155 3.080 -7.783 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.424 2.721 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.935 4.253 -7.234 1.00 0.00 H new ATOM 520 N ALA A 31 3.147 5.553 -9.171 1.00 0.00 N ATOM 521 CA ALA A 31 4.461 5.898 -9.710 1.00 0.00 C ATOM 522 C ALA A 31 5.006 4.655 -10.411 1.00 0.00 C ATOM 523 O ALA A 31 5.029 3.589 -9.799 1.00 0.00 O ATOM 524 CB ALA A 31 5.378 6.348 -8.564 1.00 0.00 C ATOM 0 H ALA A 31 3.118 4.620 -8.760 1.00 0.00 H new ATOM 0 HA ALA A 31 4.401 6.720 -10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.359 6.606 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.945 7.220 -8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.482 5.538 -7.842 1.00 0.00 H new ATOM 530 N GLY A 32 5.406 4.753 -11.682 1.00 0.00 N ATOM 531 CA GLY A 32 5.703 3.582 -12.499 1.00 0.00 C ATOM 532 C GLY A 32 6.073 3.932 -13.936 1.00 0.00 C ATOM 533 O GLY A 32 6.401 5.083 -14.228 1.00 0.00 O ATOM 0 H GLY A 32 5.531 5.641 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.524 3.028 -12.044 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.836 2.921 -12.504 1.00 0.00 H new ATOM 537 N TRP A 33 5.999 2.956 -14.843 1.00 0.00 N ATOM 538 CA TRP A 33 6.243 3.137 -16.268 1.00 0.00 C ATOM 539 C TRP A 33 5.181 2.434 -17.115 1.00 0.00 C ATOM 540 O TRP A 33 4.471 1.544 -16.633 1.00 0.00 O ATOM 541 CB TRP A 33 7.659 2.658 -16.642 1.00 0.00 C ATOM 542 CG TRP A 33 7.961 1.179 -16.594 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.401 0.215 -17.368 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.966 0.480 -15.793 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.976 -1.010 -17.107 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.976 -0.900 -16.167 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.893 0.878 -14.804 1.00 0.00 C ATOM 548 CZ2 TRP A 33 9.874 -1.823 -15.613 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.789 -0.044 -14.228 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.785 -1.392 -14.634 1.00 0.00 C ATOM 0 H TRP A 33 5.761 1.995 -14.597 1.00 0.00 H new ATOM 0 HA TRP A 33 6.175 4.203 -16.484 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.869 3.005 -17.654 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.364 3.161 -15.980 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.614 0.384 -18.088 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.697 -1.884 -17.552 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.915 1.909 -14.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.866 -2.854 -15.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.484 0.286 -13.470 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.480 -2.092 -14.194 1.00 0.00 H new ATOM 561 N VAL A 34 5.147 2.775 -18.406 1.00 0.00 N ATOM 562 CA VAL A 34 4.484 1.999 -19.458 1.00 0.00 C ATOM 563 C VAL A 34 5.450 1.841 -20.640 1.00 0.00 C ATOM 564 O VAL A 34 6.197 2.773 -20.958 1.00 0.00 O ATOM 565 CB VAL A 34 3.140 2.657 -19.838 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.298 4.099 -20.338 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.369 1.851 -20.890 1.00 0.00 C ATOM 0 H VAL A 34 5.592 3.622 -18.758 1.00 0.00 H new ATOM 0 HA VAL A 34 4.236 0.997 -19.107 1.00 0.00 H new ATOM 0 HB VAL A 34 2.569 2.672 -18.909 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.319 4.506 -20.589 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.755 4.707 -19.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.933 4.109 -21.224 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.432 2.357 -21.121 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.969 1.767 -21.796 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.157 0.855 -20.502 1.00 0.00 H new ATOM 577 N LYS A 35 5.420 0.684 -21.312 1.00 0.00 N ATOM 578 CA LYS A 35 6.149 0.447 -22.558 1.00 0.00 C ATOM 579 C LYS A 35 5.365 -0.506 -23.459 1.00 0.00 C ATOM 580 O LYS A 35 4.506 -1.242 -22.976 1.00 0.00 O ATOM 581 CB LYS A 35 7.565 -0.092 -22.267 1.00 0.00 C ATOM 582 CG LYS A 35 7.684 -1.521 -21.699 1.00 0.00 C ATOM 583 CD LYS A 35 9.140 -1.995 -21.852 1.00 0.00 C ATOM 584 CE LYS A 35 9.361 -3.453 -21.427 1.00 0.00 C ATOM 585 NZ LYS A 35 9.599 -3.609 -19.973 1.00 0.00 N ATOM 0 H LYS A 35 4.881 -0.123 -20.999 1.00 0.00 H new ATOM 0 HA LYS A 35 6.258 1.395 -23.085 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.137 -0.051 -23.194 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.046 0.589 -21.565 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.391 -1.536 -20.649 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.010 -2.195 -22.228 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.443 -1.879 -22.893 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.787 -1.350 -21.258 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.490 -4.043 -21.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.213 -3.859 -21.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.724 -4.617 -19.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.456 -3.085 -19.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.784 -3.235 -19.446 1.00 0.00 H new ATOM 599 N ASN A 36 5.682 -0.541 -24.754 1.00 0.00 N ATOM 600 CA ASN A 36 5.340 -1.695 -25.585 1.00 0.00 C ATOM 601 C ASN A 36 6.321 -2.826 -25.249 1.00 0.00 C ATOM 602 O ASN A 36 7.481 -2.553 -24.930 1.00 0.00 O ATOM 603 CB ASN A 36 5.421 -1.325 -27.074 1.00 0.00 C ATOM 604 CG ASN A 36 5.055 -2.515 -27.955 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.926 -3.193 -28.490 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.772 -2.807 -28.105 1.00 0.00 N ATOM 0 H ASN A 36 6.170 0.208 -25.246 1.00 0.00 H new ATOM 0 HA ASN A 36 4.318 -2.018 -25.384 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.748 -0.493 -27.283 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.429 -0.987 -27.314 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.494 -3.607 -28.673 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.062 -2.232 -27.652 1.00 0.00 H new ATOM 613 N ARG A 37 5.886 -4.083 -25.335 1.00 0.00 N ATOM 614 CA ARG A 37 6.666 -5.264 -24.976 1.00 0.00 C ATOM 615 C ARG A 37 6.662 -6.208 -26.176 1.00 0.00 C ATOM 616 O ARG A 37 5.637 -6.366 -26.845 1.00 0.00 O ATOM 617 CB ARG A 37 6.051 -5.888 -23.709 1.00 0.00 C ATOM 618 CG ARG A 37 6.847 -7.080 -23.155 1.00 0.00 C ATOM 619 CD ARG A 37 6.160 -7.645 -21.907 1.00 0.00 C ATOM 620 NE ARG A 37 6.794 -8.900 -21.463 1.00 0.00 N ATOM 621 CZ ARG A 37 7.646 -9.064 -20.440 1.00 0.00 C ATOM 622 NH1 ARG A 37 8.018 -8.051 -19.662 1.00 0.00 N ATOM 623 NH2 ARG A 37 8.136 -10.276 -20.198 1.00 0.00 N ATOM 0 H ARG A 37 4.950 -4.313 -25.668 1.00 0.00 H new ATOM 0 HA ARG A 37 7.704 -5.026 -24.744 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.978 -5.122 -22.937 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.035 -6.214 -23.932 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.929 -7.856 -23.916 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.861 -6.766 -22.909 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.202 -6.910 -21.103 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.106 -7.824 -22.120 1.00 0.00 H new ATOM 0 HE ARG A 37 6.558 -9.738 -21.994 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.653 -7.114 -19.835 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.668 -8.211 -18.892 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.863 -11.063 -20.786 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.785 -10.419 -19.424 1.00 0.00 H new ATOM 637 N ASP A 38 7.815 -6.832 -26.430 1.00 0.00 N ATOM 638 CA ASP A 38 8.161 -7.498 -27.690 1.00 0.00 C ATOM 639 C ASP A 38 7.208 -8.629 -28.088 1.00 0.00 C ATOM 640 O ASP A 38 7.071 -8.923 -29.277 1.00 0.00 O ATOM 641 CB ASP A 38 9.593 -8.038 -27.590 1.00 0.00 C ATOM 642 CG ASP A 38 10.038 -8.738 -28.886 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.284 -8.046 -29.899 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.195 -9.980 -28.885 1.00 0.00 O ATOM 0 H ASP A 38 8.562 -6.890 -25.738 1.00 0.00 H new ATOM 0 HA ASP A 38 8.072 -6.747 -28.475 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.275 -7.217 -27.369 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.658 -8.740 -26.758 1.00 0.00 H new ATOM 649 N ASP A 39 6.517 -9.242 -27.120 1.00 0.00 N ATOM 650 CA ASP A 39 5.515 -10.280 -27.383 1.00 0.00 C ATOM 651 C ASP A 39 4.350 -9.762 -28.243 1.00 0.00 C ATOM 652 O ASP A 39 3.693 -10.547 -28.928 1.00 0.00 O ATOM 653 CB ASP A 39 4.982 -10.848 -26.063 1.00 0.00 C ATOM 654 CG ASP A 39 3.979 -11.989 -26.305 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.400 -13.094 -26.716 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.772 -11.790 -26.039 1.00 0.00 O ATOM 0 H ASP A 39 6.638 -9.031 -26.129 1.00 0.00 H new ATOM 0 HA ASP A 39 6.010 -11.070 -27.947 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.814 -11.215 -25.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.501 -10.054 -25.492 1.00 0.00 H new ATOM 661 N GLY A 40 4.116 -8.442 -28.246 1.00 0.00 N ATOM 662 CA GLY A 40 3.112 -7.778 -29.068 1.00 0.00 C ATOM 663 C GLY A 40 2.000 -7.189 -28.208 1.00 0.00 C ATOM 664 O GLY A 40 0.829 -7.277 -28.582 1.00 0.00 O ATOM 0 H GLY A 40 4.639 -7.794 -27.657 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.582 -6.987 -29.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.689 -8.490 -29.777 1.00 0.00 H new ATOM 668 N ARG A 41 2.337 -6.654 -27.029 1.00 0.00 N ATOM 669 CA ARG A 41 1.377 -6.167 -26.039 1.00 0.00 C ATOM 670 C ARG A 41 1.969 -4.961 -25.320 1.00 0.00 C ATOM 671 O ARG A 41 3.177 -4.738 -25.402 1.00 0.00 O ATOM 672 CB ARG A 41 1.011 -7.329 -25.094 1.00 0.00 C ATOM 673 CG ARG A 41 2.156 -7.837 -24.200 1.00 0.00 C ATOM 674 CD ARG A 41 1.712 -9.049 -23.380 1.00 0.00 C ATOM 675 NE ARG A 41 1.378 -10.213 -24.215 1.00 0.00 N ATOM 676 CZ ARG A 41 0.228 -10.895 -24.237 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.803 -10.547 -23.471 1.00 0.00 N ATOM 678 NH2 ARG A 41 0.151 -11.935 -25.053 1.00 0.00 N ATOM 0 H ARG A 41 3.307 -6.546 -26.733 1.00 0.00 H new ATOM 0 HA ARG A 41 0.452 -5.829 -26.506 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.188 -7.010 -24.455 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.644 -8.162 -25.694 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.013 -8.105 -24.818 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.482 -7.040 -23.531 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.506 -9.322 -22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.843 -8.777 -22.780 1.00 0.00 H new ATOM 0 HE ARG A 41 2.107 -10.537 -24.850 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.727 -9.743 -22.848 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.669 -11.084 -23.507 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.951 -12.188 -25.633 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.708 -12.483 -25.101 1.00 0.00 H new ATOM 692 N VAL A 42 1.155 -4.176 -24.624 1.00 0.00 N ATOM 693 CA VAL A 42 1.652 -3.115 -23.756 1.00 0.00 C ATOM 694 C VAL A 42 1.921 -3.741 -22.392 1.00 0.00 C ATOM 695 O VAL A 42 1.231 -4.677 -21.989 1.00 0.00 O ATOM 696 CB VAL A 42 0.630 -1.959 -23.706 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.926 -0.935 -22.599 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.615 -1.231 -25.057 1.00 0.00 C ATOM 0 H VAL A 42 0.138 -4.256 -24.645 1.00 0.00 H new ATOM 0 HA VAL A 42 2.579 -2.678 -24.128 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.338 -2.408 -23.486 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.171 -0.149 -22.619 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.907 -1.432 -21.629 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.910 -0.496 -22.763 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.106 -0.415 -25.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.607 -0.830 -25.265 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.334 -1.931 -25.844 1.00 0.00 H new ATOM 708 N GLU A 43 2.891 -3.189 -21.671 1.00 0.00 N ATOM 709 CA GLU A 43 3.252 -3.531 -20.309 1.00 0.00 C ATOM 710 C GLU A 43 3.207 -2.242 -19.491 1.00 0.00 C ATOM 711 O GLU A 43 3.598 -1.177 -19.975 1.00 0.00 O ATOM 712 CB GLU A 43 4.667 -4.123 -20.319 1.00 0.00 C ATOM 713 CG GLU A 43 5.196 -4.499 -18.927 1.00 0.00 C ATOM 714 CD GLU A 43 6.725 -4.462 -18.923 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.350 -5.402 -19.460 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.309 -3.461 -18.442 1.00 0.00 O ATOM 0 H GLU A 43 3.479 -2.446 -22.049 1.00 0.00 H new ATOM 0 HA GLU A 43 2.572 -4.264 -19.876 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.674 -5.011 -20.951 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.348 -3.403 -20.773 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.805 -3.807 -18.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.847 -5.494 -18.653 1.00 0.00 H new ATOM 723 N ILE A 44 2.760 -2.347 -18.243 1.00 0.00 N ATOM 724 CA ILE A 44 2.605 -1.261 -17.299 1.00 0.00 C ATOM 725 C ILE A 44 3.126 -1.814 -15.970 1.00 0.00 C ATOM 726 O ILE A 44 2.849 -2.969 -15.635 1.00 0.00 O ATOM 727 CB ILE A 44 1.113 -0.864 -17.178 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.281 -1.017 -18.480 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.031 0.572 -16.630 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.217 -0.774 -18.282 1.00 0.00 C ATOM 0 H ILE A 44 2.483 -3.245 -17.848 1.00 0.00 H new ATOM 0 HA ILE A 44 3.145 -0.366 -17.607 1.00 0.00 H new ATOM 0 HB ILE A 44 0.654 -1.574 -16.490 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.658 -0.318 -19.227 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.428 -2.020 -18.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.014 0.867 -16.539 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.507 0.615 -15.651 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.542 1.252 -17.312 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.735 -0.898 -19.233 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.609 -1.490 -17.559 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.376 0.239 -17.912 1.00 0.00 H new ATOM 742 N LEU A 45 3.864 -1.026 -15.191 1.00 0.00 N ATOM 743 CA LEU A 45 4.435 -1.488 -13.925 1.00 0.00 C ATOM 744 C LEU A 45 4.529 -0.286 -13.003 1.00 0.00 C ATOM 745 O LEU A 45 5.084 0.726 -13.422 1.00 0.00 O ATOM 746 CB LEU A 45 5.798 -2.134 -14.226 1.00 0.00 C ATOM 747 CG LEU A 45 6.583 -2.605 -12.986 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.454 -3.812 -13.355 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.494 -1.503 -12.434 1.00 0.00 C ATOM 0 H LEU A 45 4.083 -0.056 -15.416 1.00 0.00 H new ATOM 0 HA LEU A 45 3.824 -2.241 -13.428 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.641 -2.988 -14.884 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.410 -1.418 -14.774 1.00 0.00 H new ATOM 0 HG LEU A 45 5.853 -2.870 -12.221 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.008 -4.143 -12.477 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.819 -4.624 -13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.155 -3.529 -14.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.029 -1.877 -11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.211 -1.206 -13.199 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.891 -0.641 -12.149 1.00 0.00 H new ATOM 761 N ALA A 46 3.978 -0.356 -11.787 1.00 0.00 N ATOM 762 CA ALA A 46 3.919 0.786 -10.879 1.00 0.00 C ATOM 763 C ALA A 46 3.778 0.336 -9.428 1.00 0.00 C ATOM 764 O ALA A 46 3.326 -0.778 -9.161 1.00 0.00 O ATOM 765 CB ALA A 46 2.710 1.669 -11.226 1.00 0.00 C ATOM 0 H ALA A 46 3.562 -1.207 -11.408 1.00 0.00 H new ATOM 0 HA ALA A 46 4.849 1.343 -10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.673 2.519 -10.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.805 2.029 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.794 1.086 -11.130 1.00 0.00 H new ATOM 771 N GLU A 47 4.084 1.241 -8.502 1.00 0.00 N ATOM 772 CA GLU A 47 3.822 1.107 -7.076 1.00 0.00 C ATOM 773 C GLU A 47 2.715 2.091 -6.672 1.00 0.00 C ATOM 774 O GLU A 47 2.525 3.124 -7.325 1.00 0.00 O ATOM 775 CB GLU A 47 5.112 1.288 -6.261 1.00 0.00 C ATOM 776 CG GLU A 47 5.750 2.679 -6.392 1.00 0.00 C ATOM 777 CD GLU A 47 7.052 2.765 -5.589 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.999 2.022 -5.930 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.132 3.575 -4.639 1.00 0.00 O ATOM 0 H GLU A 47 4.540 2.123 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 47 3.469 0.100 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.894 1.098 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.836 0.537 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.951 2.893 -7.442 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.051 3.438 -6.040 1.00 0.00 H new ATOM 786 N GLY A 48 1.987 1.775 -5.598 1.00 0.00 N ATOM 787 CA GLY A 48 0.933 2.617 -5.042 1.00 0.00 C ATOM 788 C GLY A 48 0.118 1.871 -3.984 1.00 0.00 C ATOM 789 O GLY A 48 0.391 0.697 -3.721 1.00 0.00 O ATOM 0 H GLY A 48 2.120 0.906 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.375 3.510 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.273 2.951 -5.842 1.00 0.00 H new ATOM 793 N PRO A 49 -0.857 2.532 -3.338 1.00 0.00 N ATOM 794 CA PRO A 49 -1.739 1.890 -2.372 1.00 0.00 C ATOM 795 C PRO A 49 -2.735 0.963 -3.078 1.00 0.00 C ATOM 796 O PRO A 49 -3.031 1.139 -4.260 1.00 0.00 O ATOM 797 CB PRO A 49 -2.417 3.037 -1.619 1.00 0.00 C ATOM 798 CG PRO A 49 -2.436 4.177 -2.634 1.00 0.00 C ATOM 799 CD PRO A 49 -1.183 3.943 -3.482 1.00 0.00 C ATOM 0 HA PRO A 49 -1.202 1.245 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.424 2.767 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.862 3.310 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.340 4.153 -3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.409 5.149 -2.142 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.366 4.196 -4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.359 4.570 -3.142 1.00 0.00 H new ATOM 807 N GLU A 50 -3.276 -0.014 -2.343 1.00 0.00 N ATOM 808 CA GLU A 50 -4.072 -1.102 -2.907 1.00 0.00 C ATOM 809 C GLU A 50 -5.247 -0.570 -3.727 1.00 0.00 C ATOM 810 O GLU A 50 -5.376 -0.911 -4.900 1.00 0.00 O ATOM 811 CB GLU A 50 -4.541 -2.031 -1.772 1.00 0.00 C ATOM 812 CG GLU A 50 -5.274 -3.276 -2.292 1.00 0.00 C ATOM 813 CD GLU A 50 -5.721 -4.189 -1.136 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.823 -3.978 -0.580 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.986 -5.137 -0.778 1.00 0.00 O ATOM 0 H GLU A 50 -3.171 -0.070 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.452 -1.676 -3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.679 -2.342 -1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.201 -1.478 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.144 -2.971 -2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.619 -3.831 -2.964 1.00 0.00 H new ATOM 822 N ASN A 51 -6.076 0.306 -3.149 1.00 0.00 N ATOM 823 CA ASN A 51 -7.259 0.828 -3.837 1.00 0.00 C ATOM 824 C ASN A 51 -6.881 1.567 -5.120 1.00 0.00 C ATOM 825 O ASN A 51 -7.591 1.454 -6.120 1.00 0.00 O ATOM 826 CB ASN A 51 -8.042 1.764 -2.905 1.00 0.00 C ATOM 827 CG ASN A 51 -9.192 2.452 -3.639 1.00 0.00 C ATOM 828 OD1 ASN A 51 -10.165 1.815 -4.027 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.106 3.757 -3.850 1.00 0.00 N ATOM 0 H ASN A 51 -5.948 0.668 -2.204 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.887 -0.020 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.435 1.195 -2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.369 2.517 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.855 4.245 -4.341 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.290 4.274 -3.521 1.00 0.00 H new ATOM 836 N ALA A 52 -5.766 2.303 -5.113 1.00 0.00 N ATOM 837 CA ALA A 52 -5.298 3.004 -6.298 1.00 0.00 C ATOM 838 C ALA A 52 -4.931 2.001 -7.390 1.00 0.00 C ATOM 839 O ALA A 52 -5.383 2.144 -8.526 1.00 0.00 O ATOM 840 CB ALA A 52 -4.110 3.904 -5.949 1.00 0.00 C ATOM 0 H ALA A 52 -5.173 2.425 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.099 3.639 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.770 4.422 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.415 4.635 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.297 3.296 -5.552 1.00 0.00 H new ATOM 846 N LEU A 53 -4.155 0.975 -7.038 1.00 0.00 N ATOM 847 CA LEU A 53 -3.697 -0.045 -7.974 1.00 0.00 C ATOM 848 C LEU A 53 -4.885 -0.807 -8.560 1.00 0.00 C ATOM 849 O LEU A 53 -4.962 -0.981 -9.774 1.00 0.00 O ATOM 850 CB LEU A 53 -2.730 -1.014 -7.270 1.00 0.00 C ATOM 851 CG LEU A 53 -1.387 -0.403 -6.821 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.674 -1.420 -5.937 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.434 -0.029 -7.958 1.00 0.00 C ATOM 0 H LEU A 53 -3.825 0.830 -6.084 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.168 0.445 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.231 -1.428 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.524 -1.846 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.636 0.525 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.280 -1.009 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.293 -1.644 -5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.499 -2.335 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.481 0.392 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.193 -0.920 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.911 0.707 -8.605 1.00 0.00 H new ATOM 865 N GLN A 54 -5.828 -1.243 -7.725 1.00 0.00 N ATOM 866 CA GLN A 54 -6.961 -2.043 -8.175 1.00 0.00 C ATOM 867 C GLN A 54 -7.915 -1.218 -9.049 1.00 0.00 C ATOM 868 O GLN A 54 -8.366 -1.691 -10.096 1.00 0.00 O ATOM 869 CB GLN A 54 -7.711 -2.660 -6.979 1.00 0.00 C ATOM 870 CG GLN A 54 -6.898 -3.627 -6.092 1.00 0.00 C ATOM 871 CD GLN A 54 -6.247 -4.825 -6.794 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.693 -5.301 -7.836 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.174 -5.341 -6.211 1.00 0.00 N ATOM 0 H GLN A 54 -5.826 -1.052 -6.723 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.568 -2.856 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.082 -1.849 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.582 -3.194 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.113 -3.055 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.557 -4.007 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.817 -4.933 -5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.705 -6.146 -6.627 1.00 0.00 H new ATOM 882 N SER A 55 -8.192 0.031 -8.665 1.00 0.00 N ATOM 883 CA SER A 55 -9.030 0.912 -9.477 1.00 0.00 C ATOM 884 C SER A 55 -8.359 1.184 -10.827 1.00 0.00 C ATOM 885 O SER A 55 -9.030 1.236 -11.857 1.00 0.00 O ATOM 886 CB SER A 55 -9.273 2.242 -8.767 1.00 0.00 C ATOM 887 OG SER A 55 -9.813 2.085 -7.463 1.00 0.00 O ATOM 0 H SER A 55 -7.849 0.452 -7.801 1.00 0.00 H new ATOM 0 HA SER A 55 -9.986 0.412 -9.633 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.333 2.789 -8.701 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.953 2.848 -9.365 1.00 0.00 H new ATOM 0 HG SER A 55 -9.085 1.938 -6.823 1.00 0.00 H new ATOM 893 N PHE A 56 -7.032 1.332 -10.841 1.00 0.00 N ATOM 894 CA PHE A 56 -6.277 1.464 -12.067 1.00 0.00 C ATOM 895 C PHE A 56 -6.436 0.206 -12.933 1.00 0.00 C ATOM 896 O PHE A 56 -6.712 0.346 -14.120 1.00 0.00 O ATOM 897 CB PHE A 56 -4.817 1.796 -11.740 1.00 0.00 C ATOM 898 CG PHE A 56 -3.945 1.790 -12.968 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.426 0.566 -13.433 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.739 2.976 -13.697 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.727 0.523 -14.647 1.00 0.00 C ATOM 902 CE2 PHE A 56 -3.053 2.919 -14.919 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.553 1.697 -15.393 1.00 0.00 C ATOM 0 H PHE A 56 -6.460 1.362 -9.997 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.667 2.291 -12.660 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.766 2.776 -11.265 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.434 1.073 -11.020 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.566 -0.336 -12.856 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.105 3.919 -13.320 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.324 -0.412 -15.007 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.909 3.820 -15.497 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.031 1.661 -16.338 1.00 0.00 H new ATOM 913 N VAL A 57 -6.330 -1.010 -12.376 1.00 0.00 N ATOM 914 CA VAL A 57 -6.551 -2.245 -13.136 1.00 0.00 C ATOM 915 C VAL A 57 -7.939 -2.202 -13.794 1.00 0.00 C ATOM 916 O VAL A 57 -8.054 -2.482 -14.991 1.00 0.00 O ATOM 917 CB VAL A 57 -6.360 -3.488 -12.230 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.805 -4.797 -12.903 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.897 -3.674 -11.805 1.00 0.00 C ATOM 0 H VAL A 57 -6.091 -1.162 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.809 -2.325 -13.931 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.989 -3.290 -11.362 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.646 -5.630 -12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.863 -4.734 -13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.222 -4.956 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.812 -4.557 -11.172 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.274 -3.801 -12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.565 -2.796 -11.251 1.00 0.00 H new ATOM 929 N GLU A 58 -8.977 -1.799 -13.049 1.00 0.00 N ATOM 930 CA GLU A 58 -10.324 -1.658 -13.598 1.00 0.00 C ATOM 931 C GLU A 58 -10.345 -0.647 -14.754 1.00 0.00 C ATOM 932 O GLU A 58 -10.979 -0.900 -15.777 1.00 0.00 O ATOM 933 CB GLU A 58 -11.320 -1.246 -12.497 1.00 0.00 C ATOM 934 CG GLU A 58 -11.557 -2.317 -11.419 1.00 0.00 C ATOM 935 CD GLU A 58 -12.618 -3.348 -11.837 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.382 -4.117 -12.795 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.697 -3.405 -11.204 1.00 0.00 O ATOM 0 H GLU A 58 -8.904 -1.565 -12.059 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.630 -2.627 -13.993 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.955 -0.339 -12.016 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.274 -0.999 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.619 -2.831 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.870 -1.833 -10.493 1.00 0.00 H new ATOM 944 N ALA A 59 -9.623 0.468 -14.619 1.00 0.00 N ATOM 945 CA ALA A 59 -9.544 1.519 -15.627 1.00 0.00 C ATOM 946 C ALA A 59 -8.900 1.012 -16.923 1.00 0.00 C ATOM 947 O ALA A 59 -9.429 1.295 -17.999 1.00 0.00 O ATOM 948 CB ALA A 59 -8.785 2.729 -15.063 1.00 0.00 C ATOM 0 H ALA A 59 -9.067 0.666 -13.787 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.558 1.830 -15.878 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.730 3.510 -15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.309 3.111 -14.187 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.777 2.426 -14.780 1.00 0.00 H new ATOM 954 N VAL A 60 -7.804 0.243 -16.851 1.00 0.00 N ATOM 955 CA VAL A 60 -7.190 -0.325 -18.057 1.00 0.00 C ATOM 956 C VAL A 60 -8.175 -1.305 -18.692 1.00 0.00 C ATOM 957 O VAL A 60 -8.466 -1.196 -19.882 1.00 0.00 O ATOM 958 CB VAL A 60 -5.835 -1.021 -17.786 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.106 -1.293 -19.112 1.00 0.00 C ATOM 960 CG2 VAL A 60 -4.891 -0.166 -16.931 1.00 0.00 C ATOM 0 H VAL A 60 -7.330 0.003 -15.980 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.971 0.499 -18.737 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.072 -1.942 -17.253 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.154 -1.783 -18.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.720 -1.939 -19.739 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.926 -0.350 -19.629 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.956 -0.704 -16.773 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.687 0.774 -17.444 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.359 0.040 -15.968 1.00 0.00 H new ATOM 970 N LYS A 61 -8.727 -2.235 -17.901 1.00 0.00 N ATOM 971 CA LYS A 61 -9.616 -3.276 -18.409 1.00 0.00 C ATOM 972 C LYS A 61 -10.837 -2.664 -19.097 1.00 0.00 C ATOM 973 O LYS A 61 -11.229 -3.121 -20.170 1.00 0.00 O ATOM 974 CB LYS A 61 -9.988 -4.209 -17.246 1.00 0.00 C ATOM 975 CG LYS A 61 -10.840 -5.411 -17.691 1.00 0.00 C ATOM 976 CD LYS A 61 -10.854 -6.550 -16.656 1.00 0.00 C ATOM 977 CE LYS A 61 -11.198 -6.113 -15.223 1.00 0.00 C ATOM 978 NZ LYS A 61 -12.588 -5.621 -15.075 1.00 0.00 N ATOM 0 H LYS A 61 -8.567 -2.283 -16.895 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.112 -3.867 -19.174 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.076 -4.572 -16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.535 -3.642 -16.492 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.862 -5.078 -17.872 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.456 -5.792 -18.638 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.575 -7.303 -16.974 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.875 -7.029 -16.650 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.045 -6.955 -14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.508 -5.328 -14.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.629 -4.922 -14.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.895 -5.177 -15.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.217 -6.419 -14.851 1.00 0.00 H new ATOM 992 N ASN A 62 -11.413 -1.608 -18.514 1.00 0.00 N ATOM 993 CA ASN A 62 -12.542 -0.892 -19.100 1.00 0.00 C ATOM 994 C ASN A 62 -12.137 -0.068 -20.330 1.00 0.00 C ATOM 995 O ASN A 62 -12.997 0.244 -21.152 1.00 0.00 O ATOM 996 CB ASN A 62 -13.180 0.024 -18.047 1.00 0.00 C ATOM 997 CG ASN A 62 -14.489 0.623 -18.555 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.438 -0.097 -18.856 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.584 1.936 -18.647 1.00 0.00 N ATOM 0 H ASN A 62 -11.105 -1.227 -17.619 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.263 -1.639 -19.432 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.366 -0.542 -17.134 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.487 0.825 -17.790 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.452 2.363 -18.971 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.790 2.524 -18.394 1.00 0.00 H new ATOM 1006 N GLY A 63 -10.852 0.286 -20.467 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.330 1.143 -21.525 1.00 0.00 C ATOM 1008 C GLY A 63 -11.111 2.455 -21.665 1.00 0.00 C ATOM 1009 O GLY A 63 -11.398 2.894 -22.778 1.00 0.00 O ATOM 0 H GLY A 63 -10.129 -0.030 -19.821 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.283 1.368 -21.321 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.361 0.604 -22.472 1.00 0.00 H new ATOM 1013 N SER A 64 -11.514 3.045 -20.536 1.00 0.00 N ATOM 1014 CA SER A 64 -12.597 4.020 -20.441 1.00 0.00 C ATOM 1015 C SER A 64 -12.675 5.081 -21.561 1.00 0.00 C ATOM 1016 O SER A 64 -13.764 5.240 -22.121 1.00 0.00 O ATOM 1017 CB SER A 64 -12.578 4.644 -19.037 1.00 0.00 C ATOM 1018 OG SER A 64 -12.370 3.636 -18.052 1.00 0.00 O ATOM 0 H SER A 64 -11.079 2.848 -19.635 1.00 0.00 H new ATOM 0 HA SER A 64 -13.519 3.462 -20.603 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.788 5.392 -18.975 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.520 5.159 -18.847 1.00 0.00 H new ATOM 0 HG SER A 64 -12.358 4.046 -17.162 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.596 5.804 -21.928 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.696 6.888 -22.903 1.00 0.00 C ATOM 1026 C PRO A 65 -11.804 6.428 -24.367 1.00 0.00 C ATOM 1027 O PRO A 65 -12.431 7.140 -25.156 1.00 0.00 O ATOM 1028 CB PRO A 65 -10.451 7.749 -22.685 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.430 6.774 -22.104 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.287 5.807 -21.292 1.00 0.00 C ATOM 0 HA PRO A 65 -12.625 7.434 -22.741 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -10.099 8.187 -23.619 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.650 8.574 -22.001 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.875 6.258 -22.888 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.698 7.284 -21.478 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.852 4.808 -21.289 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.359 6.127 -20.252 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.204 5.294 -24.762 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.182 4.848 -26.165 1.00 0.00 C ATOM 1040 C PHE A 66 -10.790 3.374 -26.326 1.00 0.00 C ATOM 1041 O PHE A 66 -11.198 2.732 -27.297 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.188 5.695 -26.997 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.716 5.450 -26.689 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.089 6.144 -25.640 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -7.994 4.473 -27.402 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.769 5.828 -25.273 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -6.673 4.158 -27.034 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.058 4.835 -25.968 1.00 0.00 C ATOM 0 H PHE A 66 -10.722 4.663 -24.122 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.203 4.977 -26.524 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.360 5.495 -28.054 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.407 6.750 -26.833 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.623 6.922 -25.114 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.456 3.964 -28.235 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.299 6.351 -24.453 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.131 3.394 -27.572 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.044 4.594 -25.684 1.00 0.00 H new ATOM 1058 N SER A 67 -9.940 2.862 -25.441 1.00 0.00 N ATOM 1059 CA SER A 67 -9.306 1.559 -25.528 1.00 0.00 C ATOM 1060 C SER A 67 -10.300 0.422 -25.239 1.00 0.00 C ATOM 1061 O SER A 67 -11.418 0.653 -24.775 1.00 0.00 O ATOM 1062 CB SER A 67 -8.097 1.568 -24.567 1.00 0.00 C ATOM 1063 OG SER A 67 -8.254 2.480 -23.484 1.00 0.00 O ATOM 0 H SER A 67 -9.664 3.374 -24.603 1.00 0.00 H new ATOM 0 HA SER A 67 -8.956 1.368 -26.542 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.948 0.564 -24.170 1.00 0.00 H new ATOM 0 HB3 SER A 67 -7.198 1.827 -25.126 1.00 0.00 H new ATOM 0 HG SER A 67 -7.477 2.419 -22.890 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.882 -0.828 -25.472 1.00 0.00 N ATOM 1070 CA LYS A 68 -10.430 -1.992 -24.767 1.00 0.00 C ATOM 1071 C LYS A 68 -9.398 -3.103 -24.832 1.00 0.00 C ATOM 1072 O LYS A 68 -8.714 -3.237 -25.850 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.820 -2.452 -25.279 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.894 -3.329 -26.542 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.467 -2.612 -27.830 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.621 -3.496 -29.079 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.039 -3.798 -29.412 1.00 0.00 N ATOM 0 H LYS A 68 -9.158 -1.060 -26.152 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.621 -1.707 -23.732 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.305 -2.998 -24.470 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.416 -1.558 -25.463 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.261 -4.205 -26.400 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.916 -3.689 -26.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.064 -1.708 -27.953 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.428 -2.297 -27.738 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.153 -2.998 -29.928 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.084 -4.432 -28.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.080 -4.339 -30.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.464 -4.358 -28.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.566 -2.909 -29.524 1.00 0.00 H new ATOM 1091 N VAL A 69 -9.295 -3.910 -23.783 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.449 -5.093 -23.817 1.00 0.00 C ATOM 1093 C VAL A 69 -9.240 -6.234 -24.465 1.00 0.00 C ATOM 1094 O VAL A 69 -10.470 -6.286 -24.371 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.932 -5.441 -22.404 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -7.124 -4.268 -21.826 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -9.036 -5.824 -21.407 1.00 0.00 C ATOM 0 H VAL A 69 -9.786 -3.766 -22.901 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.559 -4.910 -24.418 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.303 -6.322 -22.535 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.766 -4.528 -20.830 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.273 -4.058 -22.474 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.759 -3.384 -21.764 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.589 -6.054 -20.440 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.732 -4.992 -21.297 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.572 -6.699 -21.776 1.00 0.00 H new ATOM 1107 N THR A 70 -8.527 -7.175 -25.073 1.00 0.00 N ATOM 1108 CA THR A 70 -9.035 -8.479 -25.479 1.00 0.00 C ATOM 1109 C THR A 70 -8.262 -9.583 -24.734 1.00 0.00 C ATOM 1110 O THR A 70 -8.730 -10.721 -24.666 1.00 0.00 O ATOM 1111 CB THR A 70 -8.970 -8.613 -27.014 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.679 -8.301 -27.507 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.958 -7.659 -27.700 1.00 0.00 C ATOM 0 H THR A 70 -7.542 -7.045 -25.305 1.00 0.00 H new ATOM 0 HA THR A 70 -10.085 -8.586 -25.205 1.00 0.00 H new ATOM 0 HB THR A 70 -9.222 -9.650 -27.238 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.669 -8.397 -28.482 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.888 -7.778 -28.781 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.972 -7.890 -27.375 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.717 -6.631 -27.432 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.125 -9.244 -24.110 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.392 -10.089 -23.177 1.00 0.00 C ATOM 1123 C ASP A 71 -5.710 -9.174 -22.159 1.00 0.00 C ATOM 1124 O ASP A 71 -5.178 -8.123 -22.525 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.351 -10.925 -23.933 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.492 -11.767 -22.979 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.057 -12.476 -22.117 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.250 -11.747 -23.121 1.00 0.00 O ATOM 0 H ASP A 71 -6.680 -8.337 -24.252 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.067 -10.778 -22.669 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.857 -11.581 -24.641 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.707 -10.265 -24.514 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.740 -9.552 -20.883 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.146 -8.806 -19.780 1.00 0.00 C ATOM 1135 C ILE A 72 -4.607 -9.833 -18.785 1.00 0.00 C ATOM 1136 O ILE A 72 -5.277 -10.823 -18.481 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.166 -7.803 -19.164 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.578 -7.095 -17.915 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.539 -8.426 -18.837 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.276 -5.773 -17.542 1.00 0.00 C ATOM 0 H ILE A 72 -6.193 -10.414 -20.580 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.321 -8.179 -20.117 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.346 -7.062 -19.943 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.638 -7.775 -17.065 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.521 -6.896 -18.090 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.192 -7.664 -18.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.986 -8.820 -19.750 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.410 -9.235 -18.118 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.801 -5.347 -16.658 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.193 -5.071 -18.372 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.328 -5.964 -17.332 1.00 0.00 H new ATOM 1152 N SER A 73 -3.400 -9.585 -18.280 1.00 0.00 N ATOM 1153 CA SER A 73 -2.759 -10.364 -17.236 1.00 0.00 C ATOM 1154 C SER A 73 -2.189 -9.375 -16.221 1.00 0.00 C ATOM 1155 O SER A 73 -1.711 -8.299 -16.593 1.00 0.00 O ATOM 1156 CB SER A 73 -1.658 -11.250 -17.837 1.00 0.00 C ATOM 1157 OG SER A 73 -2.183 -12.157 -18.795 1.00 0.00 O ATOM 0 H SER A 73 -2.825 -8.806 -18.602 1.00 0.00 H new ATOM 0 HA SER A 73 -3.470 -11.030 -16.747 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.900 -10.622 -18.306 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.163 -11.806 -17.041 1.00 0.00 H new ATOM 0 HG SER A 73 -1.457 -12.705 -19.159 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.262 -9.735 -14.941 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.918 -8.872 -13.819 1.00 0.00 C ATOM 1165 C VAL A 74 -1.113 -9.722 -12.836 1.00 0.00 C ATOM 1166 O VAL A 74 -1.415 -10.897 -12.611 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.207 -8.297 -13.179 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.900 -7.339 -12.014 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.089 -7.562 -14.204 1.00 0.00 C ATOM 0 H VAL A 74 -2.571 -10.662 -14.650 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.322 -8.016 -14.134 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.750 -9.161 -12.797 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.834 -6.962 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.347 -7.872 -11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.301 -6.504 -12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.980 -7.177 -13.708 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.529 -6.734 -14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.384 -8.254 -14.993 1.00 0.00 H new ATOM 1179 N THR A 75 -0.100 -9.103 -12.243 1.00 0.00 N ATOM 1180 CA THR A 75 0.714 -9.622 -11.158 1.00 0.00 C ATOM 1181 C THR A 75 0.728 -8.501 -10.115 1.00 0.00 C ATOM 1182 O THR A 75 0.730 -7.324 -10.487 1.00 0.00 O ATOM 1183 CB THR A 75 2.143 -9.921 -11.666 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.179 -10.282 -13.041 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.817 -11.043 -10.877 1.00 0.00 C ATOM 0 H THR A 75 0.191 -8.167 -12.527 1.00 0.00 H new ATOM 0 HA THR A 75 0.326 -10.554 -10.748 1.00 0.00 H new ATOM 0 HB THR A 75 2.683 -8.985 -11.522 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.640 -11.088 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.818 -11.215 -11.272 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.885 -10.759 -9.827 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.229 -11.956 -10.968 1.00 0.00 H new ATOM 1193 N GLU A 76 0.763 -8.826 -8.824 1.00 0.00 N ATOM 1194 CA GLU A 76 0.931 -7.832 -7.778 1.00 0.00 C ATOM 1195 C GLU A 76 1.847 -8.370 -6.687 1.00 0.00 C ATOM 1196 O GLU A 76 1.975 -9.585 -6.501 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.428 -7.349 -7.246 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.290 -8.429 -6.579 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.506 -7.796 -5.889 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.572 -7.644 -6.533 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -2.377 -7.442 -4.694 1.00 0.00 O ATOM 0 H GLU A 76 0.676 -9.782 -8.480 1.00 0.00 H new ATOM 0 HA GLU A 76 1.416 -6.950 -8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.255 -6.549 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.991 -6.917 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.623 -9.150 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.695 -8.978 -5.849 1.00 0.00 H new ATOM 1208 N SER A 77 2.487 -7.442 -5.983 1.00 0.00 N ATOM 1209 CA SER A 77 3.545 -7.685 -5.016 1.00 0.00 C ATOM 1210 C SER A 77 3.450 -6.617 -3.923 1.00 0.00 C ATOM 1211 O SER A 77 2.585 -5.733 -3.974 1.00 0.00 O ATOM 1212 CB SER A 77 4.910 -7.629 -5.734 1.00 0.00 C ATOM 1213 OG SER A 77 4.978 -8.523 -6.837 1.00 0.00 O ATOM 0 H SER A 77 2.268 -6.450 -6.078 1.00 0.00 H new ATOM 0 HA SER A 77 3.442 -8.670 -4.561 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.093 -6.612 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.701 -7.871 -5.024 1.00 0.00 H new ATOM 0 HG SER A 77 5.858 -8.452 -7.262 1.00 0.00 H new ATOM 1219 N ARG A 78 4.303 -6.713 -2.901 1.00 0.00 N ATOM 1220 CA ARG A 78 4.437 -5.694 -1.853 1.00 0.00 C ATOM 1221 C ARG A 78 5.866 -5.133 -1.839 1.00 0.00 C ATOM 1222 O ARG A 78 6.127 -4.143 -1.161 1.00 0.00 O ATOM 1223 CB ARG A 78 3.987 -6.244 -0.479 1.00 0.00 C ATOM 1224 CG ARG A 78 2.457 -6.379 -0.310 1.00 0.00 C ATOM 1225 CD ARG A 78 1.843 -7.599 -1.016 1.00 0.00 C ATOM 1226 NE ARG A 78 0.368 -7.615 -0.991 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.435 -7.535 -2.065 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.007 -7.163 -3.263 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -1.726 -7.822 -1.975 1.00 0.00 N ATOM 0 H ARG A 78 4.928 -7.509 -2.775 1.00 0.00 H new ATOM 0 HA ARG A 78 3.770 -4.862 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.444 -7.222 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.369 -5.588 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.225 -6.436 0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.981 -5.476 -0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.181 -7.617 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.216 -8.508 -0.543 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.081 -7.694 -0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.990 -6.925 -3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.637 -7.116 -4.052 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.124 -8.109 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.322 -7.756 -2.800 1.00 0.00 H new ATOM 1243 N SER A 79 6.782 -5.711 -2.621 1.00 0.00 N ATOM 1244 CA SER A 79 8.071 -5.131 -2.948 1.00 0.00 C ATOM 1245 C SER A 79 7.853 -3.932 -3.880 1.00 0.00 C ATOM 1246 O SER A 79 7.612 -4.100 -5.077 1.00 0.00 O ATOM 1247 CB SER A 79 8.967 -6.199 -3.593 1.00 0.00 C ATOM 1248 OG SER A 79 8.996 -7.377 -2.797 1.00 0.00 O ATOM 0 H SER A 79 6.635 -6.623 -3.053 1.00 0.00 H new ATOM 0 HA SER A 79 8.573 -4.779 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.598 -6.437 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.978 -5.809 -3.712 1.00 0.00 H new ATOM 0 HG SER A 79 9.570 -8.047 -3.224 1.00 0.00 H new ATOM 1254 N LEU A 80 7.900 -2.720 -3.323 1.00 0.00 N ATOM 1255 CA LEU A 80 7.972 -1.469 -4.080 1.00 0.00 C ATOM 1256 C LEU A 80 9.201 -1.481 -4.995 1.00 0.00 C ATOM 1257 O LEU A 80 10.213 -2.121 -4.695 1.00 0.00 O ATOM 1258 CB LEU A 80 8.091 -0.265 -3.122 1.00 0.00 C ATOM 1259 CG LEU A 80 6.794 0.212 -2.446 1.00 0.00 C ATOM 1260 CD1 LEU A 80 6.103 -0.891 -1.640 1.00 0.00 C ATOM 1261 CD2 LEU A 80 7.126 1.382 -1.511 1.00 0.00 C ATOM 0 H LEU A 80 7.889 -2.578 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 80 7.062 -1.379 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.807 -0.521 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.512 0.572 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 80 6.105 0.515 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.194 -0.495 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.848 -1.719 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.774 -1.245 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.214 1.730 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.837 1.052 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.563 2.197 -2.089 1.00 0.00 H new ATOM 1273 N GLU A 81 9.139 -0.701 -6.072 1.00 0.00 N ATOM 1274 CA GLU A 81 10.280 -0.424 -6.936 1.00 0.00 C ATOM 1275 C GLU A 81 11.214 0.615 -6.297 1.00 0.00 C ATOM 1276 O GLU A 81 12.413 0.630 -6.584 1.00 0.00 O ATOM 1277 CB GLU A 81 9.777 0.118 -8.284 1.00 0.00 C ATOM 1278 CG GLU A 81 8.812 -0.829 -9.008 1.00 0.00 C ATOM 1279 CD GLU A 81 9.452 -2.214 -9.216 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.376 -2.348 -10.050 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.042 -3.173 -8.527 1.00 0.00 O ATOM 0 H GLU A 81 8.281 -0.238 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 81 10.835 -1.351 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.279 1.073 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.633 0.313 -8.930 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.894 -0.932 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.534 -0.404 -9.973 1.00 0.00 H new ATOM 1288 N GLY A 82 10.668 1.495 -5.452 1.00 0.00 N ATOM 1289 CA GLY A 82 11.307 2.744 -5.071 1.00 0.00 C ATOM 1290 C GLY A 82 11.204 3.759 -6.213 1.00 0.00 C ATOM 1291 O GLY A 82 12.127 4.555 -6.403 1.00 0.00 O ATOM 0 H GLY A 82 9.759 1.352 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.834 3.145 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.354 2.566 -4.826 1.00 0.00 H new ATOM 1295 N HIS A 83 10.137 3.693 -7.023 1.00 0.00 N ATOM 1296 CA HIS A 83 9.943 4.587 -8.158 1.00 0.00 C ATOM 1297 C HIS A 83 9.758 6.031 -7.670 1.00 0.00 C ATOM 1298 O HIS A 83 9.310 6.269 -6.545 1.00 0.00 O ATOM 1299 CB HIS A 83 8.767 4.124 -9.040 1.00 0.00 C ATOM 1300 CG HIS A 83 9.068 4.265 -10.514 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.548 5.189 -11.396 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.940 3.483 -11.226 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.094 4.964 -12.604 1.00 0.00 C ATOM 1304 NE2 HIS A 83 9.955 3.934 -12.551 1.00 0.00 N ATOM 0 H HIS A 83 9.386 3.013 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 83 10.836 4.555 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.536 3.083 -8.816 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.880 4.708 -8.795 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.868 5.916 -11.171 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.517 2.659 -10.832 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.871 5.533 -13.494 1.00 0.00 H new ATOM 1312 N HIS A 84 10.079 6.993 -8.537 1.00 0.00 N ATOM 1313 CA HIS A 84 10.096 8.425 -8.216 1.00 0.00 C ATOM 1314 C HIS A 84 9.516 9.263 -9.369 1.00 0.00 C ATOM 1315 O HIS A 84 9.721 10.477 -9.431 1.00 0.00 O ATOM 1316 CB HIS A 84 11.535 8.836 -7.850 1.00 0.00 C ATOM 1317 CG HIS A 84 12.521 8.788 -8.998 1.00 0.00 C ATOM 1318 ND1 HIS A 84 13.018 9.872 -9.688 1.00 0.00 N ATOM 1319 CD2 HIS A 84 13.094 7.670 -9.548 1.00 0.00 C ATOM 1320 CE1 HIS A 84 13.861 9.420 -10.631 1.00 0.00 C ATOM 1321 NE2 HIS A 84 13.923 8.075 -10.604 1.00 0.00 N ATOM 0 H HIS A 84 10.340 6.796 -9.503 1.00 0.00 H new ATOM 0 HA HIS A 84 9.454 8.618 -7.357 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.517 9.849 -7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.893 8.183 -7.054 1.00 0.00 H new ATOM 0 HD1 HIS A 84 12.786 10.850 -9.513 1.00 0.00 H new ATOM 0 HD2 HIS A 84 12.934 6.652 -9.224 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.412 10.048 -11.315 1.00 0.00 H new ATOM 1329 N ARG A 85 8.829 8.609 -10.313 1.00 0.00 N ATOM 1330 CA ARG A 85 8.362 9.174 -11.579 1.00 0.00 C ATOM 1331 C ARG A 85 7.075 8.466 -11.983 1.00 0.00 C ATOM 1332 O ARG A 85 6.755 7.409 -11.429 1.00 0.00 O ATOM 1333 CB ARG A 85 9.390 8.931 -12.705 1.00 0.00 C ATOM 1334 CG ARG A 85 10.870 9.123 -12.344 1.00 0.00 C ATOM 1335 CD ARG A 85 11.776 8.976 -13.575 1.00 0.00 C ATOM 1336 NE ARG A 85 11.568 7.692 -14.271 1.00 0.00 N ATOM 1337 CZ ARG A 85 12.138 6.518 -13.977 1.00 0.00 C ATOM 1338 NH1 ARG A 85 12.977 6.391 -12.949 1.00 0.00 N ATOM 1339 NH2 ARG A 85 11.851 5.462 -14.730 1.00 0.00 N ATOM 0 H ARG A 85 8.573 7.627 -10.208 1.00 0.00 H new ATOM 0 HA ARG A 85 8.213 10.245 -11.442 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.259 7.913 -13.071 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.152 9.600 -13.532 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.012 10.109 -11.903 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.159 8.391 -11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.583 9.797 -14.266 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.819 9.056 -13.268 1.00 0.00 H new ATOM 0 HE ARG A 85 10.921 7.700 -15.060 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.197 7.199 -12.367 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.399 5.485 -12.744 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.207 5.556 -15.515 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.275 4.558 -14.523 1.00 0.00 H new ATOM 1353 N PHE A 86 6.424 8.955 -13.032 1.00 0.00 N ATOM 1354 CA PHE A 86 5.444 8.199 -13.793 1.00 0.00 C ATOM 1355 C PHE A 86 5.807 8.433 -15.268 1.00 0.00 C ATOM 1356 O PHE A 86 5.923 9.587 -15.691 1.00 0.00 O ATOM 1357 CB PHE A 86 4.022 8.593 -13.359 1.00 0.00 C ATOM 1358 CG PHE A 86 3.535 9.960 -13.799 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.904 11.123 -13.095 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.699 10.063 -14.924 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.446 12.381 -13.525 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.240 11.321 -15.356 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.616 12.482 -14.657 1.00 0.00 C ATOM 0 H PHE A 86 6.566 9.903 -13.381 1.00 0.00 H new ATOM 0 HA PHE A 86 5.460 7.124 -13.615 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.329 7.844 -13.742 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.972 8.547 -12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.539 11.048 -12.225 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.407 9.172 -15.460 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.732 13.272 -12.985 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.600 11.395 -16.223 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.268 13.449 -14.988 1.00 0.00 H new ATOM 1373 N SER A 87 6.119 7.367 -16.015 1.00 0.00 N ATOM 1374 CA SER A 87 6.983 7.450 -17.196 1.00 0.00 C ATOM 1375 C SER A 87 6.465 6.633 -18.388 1.00 0.00 C ATOM 1376 O SER A 87 5.744 5.643 -18.232 1.00 0.00 O ATOM 1377 CB SER A 87 8.393 6.972 -16.809 1.00 0.00 C ATOM 1378 OG SER A 87 8.938 7.733 -15.739 1.00 0.00 O ATOM 0 H SER A 87 5.780 6.425 -15.817 1.00 0.00 H new ATOM 0 HA SER A 87 6.995 8.490 -17.521 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.354 5.921 -16.523 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.050 7.042 -17.676 1.00 0.00 H new ATOM 0 HG SER A 87 9.432 8.498 -16.100 1.00 0.00 H new ATOM 1384 N ILE A 88 6.894 7.021 -19.591 1.00 0.00 N ATOM 1385 CA ILE A 88 6.551 6.373 -20.852 1.00 0.00 C ATOM 1386 C ILE A 88 7.879 6.084 -21.551 1.00 0.00 C ATOM 1387 O ILE A 88 8.688 6.995 -21.746 1.00 0.00 O ATOM 1388 CB ILE A 88 5.639 7.273 -21.725 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.404 7.792 -20.956 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.195 6.477 -22.961 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.484 8.723 -21.755 1.00 0.00 C ATOM 0 H ILE A 88 7.511 7.824 -19.715 1.00 0.00 H new ATOM 0 HA ILE A 88 5.986 5.457 -20.681 1.00 0.00 H new ATOM 0 HB ILE A 88 6.215 8.150 -22.020 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.822 6.936 -20.615 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.745 8.320 -20.066 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.552 7.100 -23.583 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.072 6.175 -23.533 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.645 5.591 -22.645 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.647 9.033 -21.129 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.044 9.602 -22.074 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.106 8.197 -22.631 1.00 0.00 H new ATOM 1403 N VAL A 89 8.108 4.824 -21.911 1.00 0.00 N ATOM 1404 CA VAL A 89 9.282 4.420 -22.673 1.00 0.00 C ATOM 1405 C VAL A 89 8.992 4.683 -24.157 1.00 0.00 C ATOM 1406 O VAL A 89 7.887 4.413 -24.643 1.00 0.00 O ATOM 1407 CB VAL A 89 9.591 2.937 -22.375 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.852 2.441 -23.098 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.780 2.690 -20.864 1.00 0.00 C ATOM 0 H VAL A 89 7.481 4.053 -21.681 1.00 0.00 H new ATOM 0 HA VAL A 89 10.168 4.990 -22.393 1.00 0.00 H new ATOM 0 HB VAL A 89 8.727 2.382 -22.742 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.023 1.393 -22.854 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.719 2.545 -24.175 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.710 3.032 -22.779 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.996 1.636 -20.692 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.609 3.295 -20.497 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.868 2.965 -20.334 1.00 0.00 H new ATOM 1419 N TYR A 90 10.005 5.163 -24.885 1.00 0.00 N ATOM 1420 CA TYR A 90 9.978 5.377 -26.334 1.00 0.00 C ATOM 1421 C TYR A 90 11.266 4.853 -27.004 1.00 0.00 C ATOM 1422 O TYR A 90 11.481 5.088 -28.196 1.00 0.00 O ATOM 1423 CB TYR A 90 9.762 6.872 -26.630 1.00 0.00 C ATOM 1424 CG TYR A 90 8.397 7.426 -26.255 1.00 0.00 C ATOM 1425 CD1 TYR A 90 7.277 7.126 -27.055 1.00 0.00 C ATOM 1426 CD2 TYR A 90 8.254 8.290 -25.151 1.00 0.00 C ATOM 1427 CE1 TYR A 90 6.024 7.692 -26.764 1.00 0.00 C ATOM 1428 CE2 TYR A 90 7.008 8.875 -24.865 1.00 0.00 C ATOM 1429 CZ TYR A 90 5.886 8.583 -25.676 1.00 0.00 C ATOM 1430 OH TYR A 90 4.675 9.161 -25.430 1.00 0.00 O ATOM 0 H TYR A 90 10.898 5.422 -24.466 1.00 0.00 H new ATOM 0 HA TYR A 90 9.148 4.811 -26.757 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.524 7.443 -26.099 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.922 7.040 -27.695 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.382 6.457 -27.897 1.00 0.00 H new ATOM 0 HD2 TYR A 90 9.105 8.504 -24.522 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.166 7.446 -27.372 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.907 9.548 -24.026 1.00 0.00 H new ATOM 0 HH TYR A 90 4.745 9.747 -24.647 1.00 0.00 H new ATOM 1440 N SER A 91 12.133 4.164 -26.253 1.00 0.00 N ATOM 1441 CA SER A 91 13.374 3.572 -26.736 1.00 0.00 C ATOM 1442 C SER A 91 13.102 2.634 -27.916 1.00 0.00 C ATOM 1443 O SER A 91 12.157 1.820 -27.840 1.00 0.00 O ATOM 1444 CB SER A 91 14.066 2.834 -25.584 1.00 0.00 C ATOM 1445 OG SER A 91 14.110 3.656 -24.421 1.00 0.00 O ATOM 1446 OXT SER A 91 13.843 2.706 -28.918 1.00 0.00 O ATOM 0 H SER A 91 11.979 4.001 -25.258 1.00 0.00 H new ATOM 0 HA SER A 91 14.036 4.360 -27.094 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.532 1.910 -25.363 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.078 2.555 -25.878 1.00 0.00 H new ATOM 0 HG SER A 91 14.553 3.171 -23.694 1.00 0.00 H new TER 1452 SER A 91