USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 735 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 57 ASN : amide:sc= -0.284 X(o=-1.8,f=-2.1) USER MOD Set 1.2: A 61 SER OG : rot 88:sc= -1.48 USER MOD Set 1.3: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 36 SER OG : rot 14:sc= -0.304 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.15) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.833 USER MOD Single : A 19 SER OG : rot 180:sc=0.000933 USER MOD Single : A 20 LYS NZ :NH3+ -110:sc= -5.52! (180deg=-10.6!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -77:sc= 1.29 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.988 K(o=-0.99,f=-0.21) USER MOD Single : A 49 GLN : amide:sc= -1.35 K(o=-1.3,f=-3.8!) USER MOD Single : A 50 GLN : amide:sc= -0.647 K(o=-0.65,f=-5.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -158:sc= -1.35! USER MOD Single : A 65 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.936 K(o=-0.94,f=-0.34) USER MOD Single : A 77 TYR OH : rot -130:sc= -1.81 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 72:sc= 0.383 USER MOD Single : A 88 GLN : amide:sc= -0.925 K(o=-0.93,f=-0.13) USER MOD Single : A 89 SER OG : rot -110:sc= -1.23 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.026) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.69 K(o=-2.7,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.886 8.103 4.261 1.00 0.00 N ATOM 2 CA ARG A 1 -20.043 7.221 3.958 1.00 0.00 C ATOM 3 C ARG A 1 -19.924 5.880 4.685 1.00 0.00 C ATOM 4 O ARG A 1 -20.730 5.576 5.569 1.00 0.00 O ATOM 5 CB ARG A 1 -20.108 7.004 2.441 1.00 0.00 C ATOM 6 CG ARG A 1 -21.367 6.280 1.978 1.00 0.00 C ATOM 7 CD ARG A 1 -21.154 5.539 0.660 1.00 0.00 C ATOM 8 NE ARG A 1 -22.351 5.570 -0.193 1.00 0.00 N ATOM 9 CZ ARG A 1 -22.416 5.075 -1.438 1.00 0.00 C ATOM 10 NH1 ARG A 1 -21.362 4.495 -2.012 1.00 0.00 N ATOM 11 NH2 ARG A 1 -23.553 5.163 -2.116 1.00 0.00 N ATOM 0 H1 ARG A 1 -18.995 9.005 3.754 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.846 8.284 5.284 1.00 0.00 H new ATOM 0 H3 ARG A 1 -18.007 7.639 3.957 1.00 0.00 H new ATOM 0 HA ARG A 1 -20.959 7.698 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.052 7.971 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -19.235 6.432 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -21.679 5.571 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -22.176 7.001 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -20.317 5.986 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -20.884 4.503 0.867 1.00 0.00 H new ATOM 0 HE ARG A 1 -23.193 5.999 0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -20.481 4.420 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -21.436 4.126 -2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -24.368 5.604 -1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -23.612 4.790 -3.063 1.00 0.00 H new ATOM 27 N VAL A 2 -18.916 5.082 4.308 1.00 0.00 N ATOM 28 CA VAL A 2 -18.692 3.764 4.930 1.00 0.00 C ATOM 29 C VAL A 2 -17.234 3.319 4.777 1.00 0.00 C ATOM 30 O VAL A 2 -16.633 2.795 5.717 1.00 0.00 O ATOM 31 CB VAL A 2 -19.629 2.623 4.370 1.00 0.00 C ATOM 32 CG1 VAL A 2 -20.148 1.751 5.506 1.00 0.00 C ATOM 33 CG2 VAL A 2 -20.809 3.164 3.560 1.00 0.00 C ATOM 0 H VAL A 2 -18.244 5.322 3.579 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.940 3.907 5.982 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.015 2.027 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -20.792 0.970 5.101 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -19.307 1.293 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.717 2.364 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.416 2.333 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -21.417 3.812 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -20.436 3.733 2.709 1.00 0.00 H new ATOM 43 N LEU A 3 -16.685 3.514 3.577 1.00 0.00 N ATOM 44 CA LEU A 3 -15.304 3.119 3.264 1.00 0.00 C ATOM 45 C LEU A 3 -14.278 3.765 4.202 1.00 0.00 C ATOM 46 O LEU A 3 -14.333 4.967 4.468 1.00 0.00 O ATOM 47 CB LEU A 3 -14.954 3.483 1.819 1.00 0.00 C ATOM 48 CG LEU A 3 -15.892 2.915 0.749 1.00 0.00 C ATOM 49 CD1 LEU A 3 -15.771 3.713 -0.543 1.00 0.00 C ATOM 50 CD2 LEU A 3 -15.588 1.443 0.503 1.00 0.00 C ATOM 0 H LEU A 3 -17.179 3.947 2.797 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.256 2.039 3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.944 4.569 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.942 3.137 1.611 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.918 2.998 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.444 3.296 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.037 4.753 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.745 3.661 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -16.263 1.055 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.558 1.336 0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.726 0.883 1.428 1.00 0.00 H new ATOM 62 N GLN A 4 -13.341 2.946 4.690 1.00 0.00 N ATOM 63 CA GLN A 4 -12.285 3.401 5.592 1.00 0.00 C ATOM 64 C GLN A 4 -10.961 2.735 5.215 1.00 0.00 C ATOM 65 O GLN A 4 -10.947 1.558 4.846 1.00 0.00 O ATOM 66 CB GLN A 4 -12.657 3.064 7.042 1.00 0.00 C ATOM 67 CG GLN A 4 -12.131 4.055 8.082 1.00 0.00 C ATOM 68 CD GLN A 4 -11.178 3.426 9.092 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.407 3.495 10.300 1.00 0.00 O ATOM 70 NE2 GLN A 4 -10.102 2.810 8.605 1.00 0.00 N ATOM 0 H GLN A 4 -13.296 1.951 4.470 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.174 4.482 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.743 3.015 7.123 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.275 2.071 7.280 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.619 4.870 7.570 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.975 4.493 8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.947 2.774 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.433 2.374 9.240 1.00 0.00 H new ATOM 79 N VAL A 5 -9.859 3.489 5.305 1.00 0.00 N ATOM 80 CA VAL A 5 -8.529 2.964 4.966 1.00 0.00 C ATOM 81 C VAL A 5 -7.445 3.644 5.804 1.00 0.00 C ATOM 82 O VAL A 5 -7.529 4.844 6.074 1.00 0.00 O ATOM 83 CB VAL A 5 -8.180 3.165 3.466 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.975 2.321 3.078 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.360 2.838 2.559 1.00 0.00 C ATOM 0 H VAL A 5 -9.861 4.463 5.609 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.561 1.896 5.181 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.937 4.219 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.747 2.476 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.116 2.614 3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.198 1.268 3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.073 2.992 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.654 1.798 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.199 3.489 2.804 1.00 0.00 H new ATOM 95 N ASP A 6 -6.421 2.874 6.196 1.00 0.00 N ATOM 96 CA ASP A 6 -5.310 3.407 6.986 1.00 0.00 C ATOM 97 C ASP A 6 -4.086 2.500 6.880 1.00 0.00 C ATOM 98 O ASP A 6 -4.180 1.298 7.120 1.00 0.00 O ATOM 99 CB ASP A 6 -5.715 3.566 8.455 1.00 0.00 C ATOM 100 CG ASP A 6 -6.512 4.832 8.705 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.921 5.930 8.632 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.727 4.725 8.973 1.00 0.00 O ATOM 0 H ASP A 6 -6.342 1.881 5.978 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.055 4.388 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.306 2.703 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.819 3.576 9.076 1.00 0.00 H new ATOM 107 N ILE A 7 -2.941 3.084 6.516 1.00 0.00 N ATOM 108 CA ILE A 7 -1.691 2.328 6.373 1.00 0.00 C ATOM 109 C ILE A 7 -0.817 2.505 7.615 1.00 0.00 C ATOM 110 O ILE A 7 -0.718 3.606 8.159 1.00 0.00 O ATOM 111 CB ILE A 7 -0.909 2.759 5.102 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.833 2.722 3.877 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.307 1.861 4.873 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.219 3.319 2.627 1.00 0.00 C ATOM 0 H ILE A 7 -2.853 4.080 6.314 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.950 1.275 6.267 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.553 3.779 5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.111 1.688 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.752 3.259 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.835 2.186 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.975 1.927 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.021 0.829 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.932 3.256 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.966 4.364 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.316 2.767 2.366 1.00 0.00 H new ATOM 126 N VAL A 8 -0.195 1.406 8.064 1.00 0.00 N ATOM 127 CA VAL A 8 0.662 1.426 9.251 1.00 0.00 C ATOM 128 C VAL A 8 2.038 0.795 8.941 1.00 0.00 C ATOM 129 O VAL A 8 2.095 -0.262 8.307 1.00 0.00 O ATOM 130 CB VAL A 8 0.003 0.656 10.427 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.815 0.803 11.709 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.430 1.124 10.657 1.00 0.00 C ATOM 0 H VAL A 8 -0.272 0.491 7.620 1.00 0.00 H new ATOM 0 HA VAL A 8 0.797 2.468 9.539 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.017 -0.399 10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.327 0.253 12.514 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.817 0.405 11.552 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.881 1.857 11.979 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.866 0.567 11.486 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.432 2.188 10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.018 0.952 9.756 1.00 0.00 H new ATOM 142 N PRO A 9 3.174 1.413 9.382 1.00 0.00 N ATOM 143 CA PRO A 9 3.203 2.676 10.144 1.00 0.00 C ATOM 144 C PRO A 9 2.973 3.888 9.243 1.00 0.00 C ATOM 145 O PRO A 9 2.977 3.761 8.016 1.00 0.00 O ATOM 146 CB PRO A 9 4.612 2.692 10.736 1.00 0.00 C ATOM 147 CG PRO A 9 5.438 1.953 9.743 1.00 0.00 C ATOM 148 CD PRO A 9 4.539 0.900 9.144 1.00 0.00 C ATOM 0 HA PRO A 9 2.416 2.731 10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.974 3.711 10.874 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.638 2.209 11.713 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.815 2.626 8.973 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.305 1.498 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.735 0.767 8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.689 -0.069 9.619 1.00 0.00 H new ATOM 156 N SER A 10 2.779 5.064 9.854 1.00 0.00 N ATOM 157 CA SER A 10 2.556 6.302 9.096 1.00 0.00 C ATOM 158 C SER A 10 3.815 6.682 8.318 1.00 0.00 C ATOM 159 O SER A 10 3.748 7.019 7.135 1.00 0.00 O ATOM 160 CB SER A 10 2.155 7.446 10.033 1.00 0.00 C ATOM 161 OG SER A 10 3.119 7.629 11.056 1.00 0.00 O ATOM 0 H SER A 10 2.772 5.184 10.867 1.00 0.00 H new ATOM 0 HA SER A 10 1.743 6.128 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.047 8.368 9.461 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.184 7.232 10.478 1.00 0.00 H new ATOM 0 HG SER A 10 2.841 8.366 11.639 1.00 0.00 H new ATOM 167 N GLN A 11 4.964 6.598 8.994 1.00 0.00 N ATOM 168 CA GLN A 11 6.257 6.904 8.386 1.00 0.00 C ATOM 169 C GLN A 11 7.244 5.786 8.705 1.00 0.00 C ATOM 170 O GLN A 11 7.634 5.609 9.862 1.00 0.00 O ATOM 171 CB GLN A 11 6.792 8.248 8.896 1.00 0.00 C ATOM 172 CG GLN A 11 6.818 8.365 10.414 1.00 0.00 C ATOM 173 CD GLN A 11 7.114 9.779 10.885 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.211 10.506 11.299 1.00 0.00 O ATOM 175 NE2 GLN A 11 8.384 10.178 10.828 1.00 0.00 N ATOM 0 H GLN A 11 5.022 6.317 9.973 1.00 0.00 H new ATOM 0 HA GLN A 11 6.132 6.979 7.306 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.802 8.395 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.177 9.051 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.856 8.046 10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.572 7.687 10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.102 9.544 10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.638 11.117 11.134 1.00 0.00 H new ATOM 184 N GLY A 12 7.623 5.014 7.678 1.00 0.00 N ATOM 185 CA GLY A 12 8.539 3.896 7.870 1.00 0.00 C ATOM 186 C GLY A 12 9.901 4.105 7.233 1.00 0.00 C ATOM 187 O GLY A 12 10.073 3.850 6.037 1.00 0.00 O ATOM 0 H GLY A 12 7.310 5.146 6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.670 3.725 8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.089 2.994 7.456 1.00 0.00 H new ATOM 191 N GLU A 13 10.881 4.534 8.040 1.00 0.00 N ATOM 192 CA GLU A 13 12.241 4.729 7.549 1.00 0.00 C ATOM 193 C GLU A 13 12.926 3.371 7.458 1.00 0.00 C ATOM 194 O GLU A 13 12.810 2.553 8.373 1.00 0.00 O ATOM 195 CB GLU A 13 13.031 5.673 8.460 1.00 0.00 C ATOM 196 CG GLU A 13 12.814 7.144 8.141 1.00 0.00 C ATOM 197 CD GLU A 13 13.051 8.046 9.337 1.00 0.00 C ATOM 198 OE1 GLU A 13 14.002 7.783 10.102 1.00 0.00 O ATOM 199 OE2 GLU A 13 12.284 9.018 9.507 1.00 0.00 O ATOM 0 H GLU A 13 10.753 4.750 9.029 1.00 0.00 H new ATOM 0 HA GLU A 13 12.203 5.191 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.747 5.488 9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.093 5.443 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.483 7.438 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.795 7.286 7.780 1.00 0.00 H new ATOM 206 N ILE A 14 13.611 3.124 6.343 1.00 0.00 N ATOM 207 CA ILE A 14 14.285 1.842 6.114 1.00 0.00 C ATOM 208 C ILE A 14 15.679 2.070 5.521 1.00 0.00 C ATOM 209 O ILE A 14 16.009 3.183 5.110 1.00 0.00 O ATOM 210 CB ILE A 14 13.471 0.929 5.127 1.00 0.00 C ATOM 211 CG1 ILE A 14 11.944 1.104 5.295 1.00 0.00 C ATOM 212 CG2 ILE A 14 13.860 -0.546 5.277 1.00 0.00 C ATOM 213 CD1 ILE A 14 11.421 0.775 6.677 1.00 0.00 C ATOM 0 H ILE A 14 13.716 3.794 5.581 1.00 0.00 H new ATOM 0 HA ILE A 14 14.361 1.344 7.081 1.00 0.00 H new ATOM 0 HB ILE A 14 13.732 1.253 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.681 2.135 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 14 11.437 0.470 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.278 -1.149 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.922 -0.666 5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 14 13.657 -0.874 6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.342 0.926 6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.648 -0.264 6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.896 1.426 7.410 1.00 0.00 H new ATOM 225 N SER A 15 16.482 1.004 5.454 1.00 0.00 N ATOM 226 CA SER A 15 17.818 1.064 4.870 1.00 0.00 C ATOM 227 C SER A 15 17.868 0.107 3.679 1.00 0.00 C ATOM 228 O SER A 15 17.082 -0.847 3.612 1.00 0.00 O ATOM 229 CB SER A 15 18.902 0.710 5.903 1.00 0.00 C ATOM 230 OG SER A 15 18.357 0.058 7.039 1.00 0.00 O ATOM 0 H SER A 15 16.223 0.081 5.802 1.00 0.00 H new ATOM 0 HA SER A 15 18.020 2.082 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.650 0.067 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.415 1.619 6.217 1.00 0.00 H new ATOM 0 HG SER A 15 19.075 -0.152 7.671 1.00 0.00 H new ATOM 236 N VAL A 16 18.792 0.354 2.746 1.00 0.00 N ATOM 237 CA VAL A 16 18.934 -0.497 1.559 1.00 0.00 C ATOM 238 C VAL A 16 19.333 -1.919 1.972 1.00 0.00 C ATOM 239 O VAL A 16 20.150 -2.103 2.879 1.00 0.00 O ATOM 240 CB VAL A 16 19.956 0.110 0.557 1.00 0.00 C ATOM 241 CG1 VAL A 16 20.192 -0.799 -0.654 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.475 1.485 0.107 1.00 0.00 C ATOM 0 H VAL A 16 19.450 1.132 2.788 1.00 0.00 H new ATOM 0 HA VAL A 16 17.971 -0.548 1.050 1.00 0.00 H new ATOM 0 HB VAL A 16 20.912 0.205 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.913 -0.332 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.580 -1.760 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.251 -0.952 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.192 1.909 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.504 1.390 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.384 2.140 0.973 1.00 0.00 H new ATOM 252 N GLY A 17 18.712 -2.911 1.326 1.00 0.00 N ATOM 253 CA GLY A 17 18.967 -4.302 1.663 1.00 0.00 C ATOM 254 C GLY A 17 17.999 -4.838 2.721 1.00 0.00 C ATOM 255 O GLY A 17 17.978 -6.043 2.981 1.00 0.00 O ATOM 0 H GLY A 17 18.036 -2.772 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.888 -4.911 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.989 -4.402 2.027 1.00 0.00 H new ATOM 259 N GLU A 18 17.185 -3.946 3.324 1.00 0.00 N ATOM 260 CA GLU A 18 16.212 -4.341 4.339 1.00 0.00 C ATOM 261 C GLU A 18 14.832 -4.445 3.714 1.00 0.00 C ATOM 262 O GLU A 18 14.553 -3.785 2.710 1.00 0.00 O ATOM 263 CB GLU A 18 16.153 -3.318 5.479 1.00 0.00 C ATOM 264 CG GLU A 18 17.503 -2.863 5.994 1.00 0.00 C ATOM 265 CD GLU A 18 18.151 -3.874 6.919 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.683 -4.884 6.415 1.00 0.00 O ATOM 267 OE2 GLU A 18 18.125 -3.655 8.148 1.00 0.00 O ATOM 0 H GLU A 18 17.190 -2.947 3.118 1.00 0.00 H new ATOM 0 HA GLU A 18 16.524 -5.305 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.597 -2.445 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.590 -3.749 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.165 -2.675 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.385 -1.917 6.523 1.00 0.00 H new ATOM 274 N SER A 19 13.961 -5.255 4.320 1.00 0.00 N ATOM 275 CA SER A 19 12.597 -5.418 3.825 1.00 0.00 C ATOM 276 C SER A 19 11.643 -4.538 4.633 1.00 0.00 C ATOM 277 O SER A 19 12.012 -4.047 5.703 1.00 0.00 O ATOM 278 CB SER A 19 12.176 -6.889 3.871 1.00 0.00 C ATOM 279 OG SER A 19 12.494 -7.473 5.123 1.00 0.00 O ATOM 0 H SER A 19 14.177 -5.805 5.151 1.00 0.00 H new ATOM 0 HA SER A 19 12.556 -5.100 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.104 -6.969 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.675 -7.438 3.073 1.00 0.00 H new ATOM 0 HG SER A 19 12.213 -8.412 5.127 1.00 0.00 H new ATOM 285 N LYS A 20 10.435 -4.308 4.106 1.00 0.00 N ATOM 286 CA LYS A 20 9.455 -3.444 4.778 1.00 0.00 C ATOM 287 C LYS A 20 8.050 -3.634 4.214 1.00 0.00 C ATOM 288 O LYS A 20 7.808 -3.375 3.035 1.00 0.00 O ATOM 289 CB LYS A 20 9.856 -1.956 4.648 1.00 0.00 C ATOM 290 CG LYS A 20 10.493 -1.588 3.302 1.00 0.00 C ATOM 291 CD LYS A 20 9.890 -0.326 2.684 1.00 0.00 C ATOM 292 CE LYS A 20 10.903 0.471 1.864 1.00 0.00 C ATOM 293 NZ LYS A 20 10.347 0.930 0.548 1.00 0.00 N ATOM 0 H LYS A 20 10.113 -4.704 3.223 1.00 0.00 H new ATOM 0 HA LYS A 20 9.449 -3.732 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.970 -1.339 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.555 -1.709 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.564 -1.443 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.371 -2.420 2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.051 -0.604 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.492 0.307 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.229 1.338 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.786 -0.144 1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.804 0.404 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.322 0.758 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.530 1.947 0.430 1.00 0.00 H new ATOM 307 N PHE A 21 7.118 -4.055 5.078 1.00 0.00 N ATOM 308 CA PHE A 21 5.721 -4.248 4.680 1.00 0.00 C ATOM 309 C PHE A 21 4.820 -3.233 5.375 1.00 0.00 C ATOM 310 O PHE A 21 5.033 -2.906 6.545 1.00 0.00 O ATOM 311 CB PHE A 21 5.246 -5.677 4.963 1.00 0.00 C ATOM 312 CG PHE A 21 5.241 -6.076 6.410 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.211 -5.684 7.252 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.263 -6.854 6.918 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.205 -6.063 8.581 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.266 -7.236 8.246 1.00 0.00 C ATOM 317 CZ PHE A 21 5.236 -6.839 9.079 1.00 0.00 C ATOM 0 H PHE A 21 7.308 -4.268 6.057 1.00 0.00 H new ATOM 0 HA PHE A 21 5.659 -4.088 3.604 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.237 -5.792 4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.884 -6.370 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.406 -5.077 6.865 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.068 -7.167 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.398 -5.754 9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.071 -7.843 8.633 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.237 -7.135 10.118 1.00 0.00 H new ATOM 327 N PHE A 22 3.818 -2.727 4.645 1.00 0.00 N ATOM 328 CA PHE A 22 2.884 -1.729 5.195 1.00 0.00 C ATOM 329 C PHE A 22 1.458 -2.263 5.218 1.00 0.00 C ATOM 330 O PHE A 22 0.901 -2.613 4.183 1.00 0.00 O ATOM 331 CB PHE A 22 2.993 -0.432 4.400 1.00 0.00 C ATOM 332 CG PHE A 22 4.368 0.146 4.504 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.352 -0.229 3.611 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.688 1.017 5.530 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.636 0.263 3.732 1.00 0.00 C ATOM 336 CE2 PHE A 22 5.974 1.506 5.665 1.00 0.00 C ATOM 337 CZ PHE A 22 6.951 1.128 4.763 1.00 0.00 C ATOM 0 H PHE A 22 3.631 -2.989 3.677 1.00 0.00 H new ATOM 0 HA PHE A 22 3.156 -1.520 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.752 -0.621 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.263 0.288 4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.115 -0.914 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.925 1.318 6.233 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.395 -0.028 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.215 2.181 6.473 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.957 1.507 4.864 1.00 0.00 H new ATOM 347 N LEU A 23 0.889 -2.359 6.421 1.00 0.00 N ATOM 348 CA LEU A 23 -0.456 -2.910 6.598 1.00 0.00 C ATOM 349 C LEU A 23 -1.577 -1.926 6.255 1.00 0.00 C ATOM 350 O LEU A 23 -1.767 -0.924 6.940 1.00 0.00 O ATOM 351 CB LEU A 23 -0.621 -3.399 8.038 1.00 0.00 C ATOM 352 CG LEU A 23 -1.739 -4.414 8.248 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.488 -5.663 7.412 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.862 -4.770 9.722 1.00 0.00 C ATOM 0 H LEU A 23 1.339 -2.062 7.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.548 -3.736 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.319 -3.843 8.365 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.807 -2.538 8.680 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.679 -3.968 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.295 -6.377 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.448 -5.393 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.540 -6.114 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.664 -5.496 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.923 -5.199 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.087 -3.871 10.296 1.00 0.00 H new ATOM 366 N CYS A 24 -2.350 -2.253 5.206 1.00 0.00 N ATOM 367 CA CYS A 24 -3.485 -1.423 4.786 1.00 0.00 C ATOM 368 C CYS A 24 -4.793 -2.007 5.312 1.00 0.00 C ATOM 369 O CYS A 24 -5.385 -2.892 4.685 1.00 0.00 O ATOM 370 CB CYS A 24 -3.551 -1.301 3.259 1.00 0.00 C ATOM 371 SG CYS A 24 -4.630 0.043 2.666 1.00 0.00 S ATOM 0 H CYS A 24 -2.207 -3.086 4.635 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.340 -0.427 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.544 -1.141 2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.904 -2.245 2.845 1.00 0.00 H new ATOM 376 N GLN A 25 -5.236 -1.501 6.465 1.00 0.00 N ATOM 377 CA GLN A 25 -6.476 -1.955 7.086 1.00 0.00 C ATOM 378 C GLN A 25 -7.644 -1.130 6.565 1.00 0.00 C ATOM 379 O GLN A 25 -7.443 -0.022 6.059 1.00 0.00 O ATOM 380 CB GLN A 25 -6.382 -1.838 8.608 1.00 0.00 C ATOM 381 CG GLN A 25 -5.282 -2.693 9.217 1.00 0.00 C ATOM 382 CD GLN A 25 -5.013 -2.352 10.673 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.883 -2.516 11.528 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.804 -1.873 10.966 1.00 0.00 N ATOM 0 H GLN A 25 -4.749 -0.773 6.988 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.638 -3.002 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.209 -0.795 8.874 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.338 -2.125 9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.560 -3.744 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.365 -2.562 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.111 -1.752 10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.572 -1.628 11.929 1.00 0.00 H new ATOM 393 N VAL A 26 -8.864 -1.670 6.676 1.00 0.00 N ATOM 394 CA VAL A 26 -10.054 -0.968 6.194 1.00 0.00 C ATOM 395 C VAL A 26 -11.238 -1.093 7.156 1.00 0.00 C ATOM 396 O VAL A 26 -11.190 -1.859 8.121 1.00 0.00 O ATOM 397 CB VAL A 26 -10.470 -1.480 4.789 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.336 -1.265 3.795 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.898 -2.957 4.816 1.00 0.00 C ATOM 0 H VAL A 26 -9.050 -2.583 7.092 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.784 0.086 6.132 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.337 -0.902 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.639 -1.628 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.103 -0.202 3.733 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.453 -1.811 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.181 -3.272 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.068 -3.570 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.749 -3.077 5.487 1.00 0.00 H new ATOM 409 N ALA A 27 -12.302 -0.338 6.866 1.00 0.00 N ATOM 410 CA ALA A 27 -13.515 -0.359 7.679 1.00 0.00 C ATOM 411 C ALA A 27 -14.709 0.153 6.873 1.00 0.00 C ATOM 412 O ALA A 27 -14.586 1.136 6.139 1.00 0.00 O ATOM 413 CB ALA A 27 -13.322 0.462 8.949 1.00 0.00 C ATOM 0 H ALA A 27 -12.344 0.297 6.069 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.720 -1.389 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.236 0.435 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.500 0.045 9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.092 1.494 8.684 1.00 0.00 H new ATOM 419 N GLY A 28 -15.857 -0.523 7.008 1.00 0.00 N ATOM 420 CA GLY A 28 -17.058 -0.126 6.282 1.00 0.00 C ATOM 421 C GLY A 28 -17.849 -1.317 5.769 1.00 0.00 C ATOM 422 O GLY A 28 -17.670 -2.438 6.249 1.00 0.00 O ATOM 0 H GLY A 28 -15.974 -1.339 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.692 0.473 6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.777 0.509 5.441 1.00 0.00 H new ATOM 426 N ASP A 29 -18.729 -1.072 4.788 1.00 0.00 N ATOM 427 CA ASP A 29 -19.560 -2.129 4.200 1.00 0.00 C ATOM 428 C ASP A 29 -20.349 -1.594 2.992 1.00 0.00 C ATOM 429 O ASP A 29 -21.510 -1.960 2.780 1.00 0.00 O ATOM 430 CB ASP A 29 -20.515 -2.711 5.263 1.00 0.00 C ATOM 431 CG ASP A 29 -20.685 -4.214 5.134 1.00 0.00 C ATOM 432 OD1 ASP A 29 -19.665 -4.914 4.953 1.00 0.00 O ATOM 433 OD2 ASP A 29 -21.836 -4.691 5.216 1.00 0.00 O ATOM 0 H ASP A 29 -18.883 -0.148 4.385 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.907 -2.927 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -20.133 -2.476 6.257 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -21.489 -2.230 5.174 1.00 0.00 H new ATOM 438 N ALA A 30 -19.706 -0.723 2.204 1.00 0.00 N ATOM 439 CA ALA A 30 -20.339 -0.133 1.025 1.00 0.00 C ATOM 440 C ALA A 30 -20.176 -1.035 -0.199 1.00 0.00 C ATOM 441 O ALA A 30 -19.318 -0.798 -1.056 1.00 0.00 O ATOM 442 CB ALA A 30 -19.766 1.254 0.759 1.00 0.00 C ATOM 0 H ALA A 30 -18.748 -0.413 2.364 1.00 0.00 H new ATOM 0 HA ALA A 30 -21.407 -0.036 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -20.245 1.683 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -19.950 1.895 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -18.692 1.177 0.587 1.00 0.00 H new ATOM 448 N LYS A 31 -21.012 -2.082 -0.280 1.00 0.00 N ATOM 449 CA LYS A 31 -20.974 -3.033 -1.404 1.00 0.00 C ATOM 450 C LYS A 31 -19.602 -3.716 -1.484 1.00 0.00 C ATOM 451 O LYS A 31 -18.798 -3.592 -0.556 1.00 0.00 O ATOM 452 CB LYS A 31 -21.310 -2.330 -2.749 1.00 0.00 C ATOM 453 CG LYS A 31 -22.222 -1.101 -2.647 1.00 0.00 C ATOM 454 CD LYS A 31 -23.500 -1.389 -1.859 1.00 0.00 C ATOM 455 CE LYS A 31 -24.691 -0.577 -2.365 1.00 0.00 C ATOM 456 NZ LYS A 31 -25.004 0.567 -1.465 1.00 0.00 N ATOM 0 H LYS A 31 -21.724 -2.292 0.420 1.00 0.00 H new ATOM 0 HA LYS A 31 -21.734 -3.794 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -20.376 -2.028 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -21.783 -3.057 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -21.678 -0.287 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -22.485 -0.762 -3.649 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -23.733 -2.452 -1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -23.332 -1.165 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -24.477 -0.203 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -25.564 -1.225 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.818 1.093 -1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -25.233 0.209 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.180 1.199 -1.407 1.00 0.00 H new ATOM 470 N ASP A 32 -19.327 -4.418 -2.595 1.00 0.00 N ATOM 471 CA ASP A 32 -18.038 -5.090 -2.779 1.00 0.00 C ATOM 472 C ASP A 32 -16.910 -4.064 -2.845 1.00 0.00 C ATOM 473 O ASP A 32 -17.032 -3.047 -3.533 1.00 0.00 O ATOM 474 CB ASP A 32 -18.033 -5.936 -4.049 1.00 0.00 C ATOM 475 CG ASP A 32 -19.158 -6.952 -4.076 1.00 0.00 C ATOM 476 OD1 ASP A 32 -19.206 -7.808 -3.168 1.00 0.00 O ATOM 477 OD2 ASP A 32 -19.990 -6.892 -5.006 1.00 0.00 O ATOM 0 H ASP A 32 -19.977 -4.533 -3.372 1.00 0.00 H new ATOM 0 HA ASP A 32 -17.881 -5.747 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -18.118 -5.282 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -17.078 -6.454 -4.132 1.00 0.00 H new ATOM 482 N LYS A 33 -15.827 -4.323 -2.111 1.00 0.00 N ATOM 483 CA LYS A 33 -14.686 -3.410 -2.065 1.00 0.00 C ATOM 484 C LYS A 33 -13.422 -4.055 -2.635 1.00 0.00 C ATOM 485 O LYS A 33 -13.200 -5.258 -2.484 1.00 0.00 O ATOM 486 CB LYS A 33 -14.461 -2.948 -0.624 1.00 0.00 C ATOM 487 CG LYS A 33 -15.629 -2.144 -0.070 1.00 0.00 C ATOM 488 CD LYS A 33 -15.456 -1.841 1.410 1.00 0.00 C ATOM 489 CE LYS A 33 -15.747 -3.059 2.272 1.00 0.00 C ATOM 490 NZ LYS A 33 -15.039 -2.995 3.581 1.00 0.00 N ATOM 0 H LYS A 33 -15.717 -5.160 -1.539 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.910 -2.545 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.293 -3.819 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.556 -2.342 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.722 -1.210 -0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.556 -2.698 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -14.437 -1.500 1.595 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.122 -1.026 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -16.821 -3.134 2.443 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.445 -3.961 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.263 -3.843 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.013 -2.949 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.346 -2.148 4.101 1.00 0.00 H new ATOM 504 N ASP A 34 -12.598 -3.232 -3.293 1.00 0.00 N ATOM 505 CA ASP A 34 -11.346 -3.675 -3.901 1.00 0.00 C ATOM 506 C ASP A 34 -10.185 -2.881 -3.311 1.00 0.00 C ATOM 507 O ASP A 34 -10.409 -1.851 -2.677 1.00 0.00 O ATOM 508 CB ASP A 34 -11.400 -3.474 -5.420 1.00 0.00 C ATOM 509 CG ASP A 34 -12.109 -4.611 -6.128 1.00 0.00 C ATOM 510 OD1 ASP A 34 -11.691 -5.774 -5.948 1.00 0.00 O ATOM 511 OD2 ASP A 34 -13.081 -4.339 -6.863 1.00 0.00 O ATOM 0 H ASP A 34 -12.785 -2.237 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.200 -4.735 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.910 -2.537 -5.642 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.385 -3.384 -5.808 1.00 0.00 H new ATOM 516 N ILE A 35 -8.953 -3.364 -3.521 1.00 0.00 N ATOM 517 CA ILE A 35 -7.749 -2.701 -3.005 1.00 0.00 C ATOM 518 C ILE A 35 -6.724 -2.478 -4.130 1.00 0.00 C ATOM 519 O ILE A 35 -6.614 -3.289 -5.052 1.00 0.00 O ATOM 520 CB ILE A 35 -7.116 -3.535 -1.847 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.089 -3.609 -0.665 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.766 -2.965 -1.386 1.00 0.00 C ATOM 523 CD1 ILE A 35 -9.239 -4.575 -0.869 1.00 0.00 C ATOM 0 H ILE A 35 -8.764 -4.217 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.040 -1.728 -2.610 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.927 -4.537 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.537 -3.902 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.493 -2.614 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.367 -3.581 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.067 -2.965 -2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.905 -1.945 -1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.881 -4.568 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.818 -4.273 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.847 -5.580 -1.024 1.00 0.00 H new ATOM 535 N SER A 36 -5.974 -1.374 -4.027 1.00 0.00 N ATOM 536 CA SER A 36 -4.947 -1.029 -5.009 1.00 0.00 C ATOM 537 C SER A 36 -3.755 -0.363 -4.319 1.00 0.00 C ATOM 538 O SER A 36 -3.895 0.166 -3.215 1.00 0.00 O ATOM 539 CB SER A 36 -5.525 -0.093 -6.073 1.00 0.00 C ATOM 540 OG SER A 36 -6.274 -0.813 -7.036 1.00 0.00 O ATOM 0 H SER A 36 -6.063 -0.701 -3.265 1.00 0.00 H new ATOM 0 HA SER A 36 -4.607 -1.945 -5.492 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.161 0.654 -5.598 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.716 0.445 -6.566 1.00 0.00 H new ATOM 0 HG SER A 36 -6.448 -1.719 -6.705 1.00 0.00 H new ATOM 546 N TRP A 37 -2.588 -0.384 -4.976 1.00 0.00 N ATOM 547 CA TRP A 37 -1.370 0.227 -4.427 1.00 0.00 C ATOM 548 C TRP A 37 -0.668 1.067 -5.492 1.00 0.00 C ATOM 549 O TRP A 37 -0.413 0.585 -6.604 1.00 0.00 O ATOM 550 CB TRP A 37 -0.417 -0.848 -3.889 1.00 0.00 C ATOM 551 CG TRP A 37 -0.735 -1.280 -2.486 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.519 -2.336 -2.119 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.283 -0.672 -1.265 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.581 -2.426 -0.749 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.832 -1.418 -0.202 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.532 0.427 -0.963 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.591 -1.102 1.134 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.767 0.740 0.366 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.210 -0.024 1.398 1.00 0.00 C ATOM 0 H TRP A 37 -2.461 -0.818 -5.890 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.659 0.877 -3.601 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.454 -1.717 -4.546 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.604 -0.467 -3.921 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.018 -3.004 -2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.101 -3.130 -0.224 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.969 1.020 -1.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.021 -1.687 1.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.390 1.588 0.610 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.417 0.243 2.424 1.00 0.00 H new ATOM 570 N PHE A 38 -0.364 2.333 -5.156 1.00 0.00 N ATOM 571 CA PHE A 38 0.292 3.245 -6.103 1.00 0.00 C ATOM 572 C PHE A 38 1.672 3.689 -5.641 1.00 0.00 C ATOM 573 O PHE A 38 1.820 4.347 -4.612 1.00 0.00 O ATOM 574 CB PHE A 38 -0.595 4.457 -6.370 1.00 0.00 C ATOM 575 CG PHE A 38 -1.898 4.077 -7.004 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.974 3.706 -6.221 1.00 0.00 C ATOM 577 CD2 PHE A 38 -2.040 4.069 -8.382 1.00 0.00 C ATOM 578 CE1 PHE A 38 -4.173 3.336 -6.798 1.00 0.00 C ATOM 579 CE2 PHE A 38 -3.235 3.696 -8.967 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.304 3.330 -8.173 1.00 0.00 C ATOM 0 H PHE A 38 -0.561 2.743 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 38 0.437 2.688 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.788 4.978 -5.432 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.067 5.155 -7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.876 3.705 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.207 4.358 -9.006 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.008 3.052 -6.174 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.333 3.691 -10.043 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.240 3.040 -8.626 1.00 0.00 H new ATOM 590 N SER A 39 2.684 3.332 -6.441 1.00 0.00 N ATOM 591 CA SER A 39 4.066 3.690 -6.157 1.00 0.00 C ATOM 592 C SER A 39 4.260 5.208 -6.264 1.00 0.00 C ATOM 593 O SER A 39 3.554 5.859 -7.059 1.00 0.00 O ATOM 594 CB SER A 39 5.023 2.971 -7.110 1.00 0.00 C ATOM 595 OG SER A 39 4.934 3.502 -8.421 1.00 0.00 O ATOM 0 H SER A 39 2.562 2.790 -7.297 1.00 0.00 H new ATOM 0 HA SER A 39 4.293 3.376 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.045 3.067 -6.744 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.790 1.906 -7.129 1.00 0.00 H new ATOM 0 HG SER A 39 4.124 3.164 -8.857 1.00 0.00 H new ATOM 601 N PRO A 40 5.219 5.781 -5.457 1.00 0.00 N ATOM 602 CA PRO A 40 5.528 7.232 -5.410 1.00 0.00 C ATOM 603 C PRO A 40 5.760 7.901 -6.767 1.00 0.00 C ATOM 604 O PRO A 40 5.689 9.130 -6.858 1.00 0.00 O ATOM 605 CB PRO A 40 6.802 7.310 -4.542 1.00 0.00 C ATOM 606 CG PRO A 40 7.306 5.913 -4.463 1.00 0.00 C ATOM 607 CD PRO A 40 6.084 5.056 -4.500 1.00 0.00 C ATOM 0 HA PRO A 40 4.672 7.778 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.544 7.971 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.580 7.705 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.972 5.686 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.874 5.750 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.307 4.044 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.619 4.968 -3.518 1.00 0.00 H new ATOM 615 N ASN A 41 6.010 7.115 -7.819 1.00 0.00 N ATOM 616 CA ASN A 41 6.214 7.677 -9.155 1.00 0.00 C ATOM 617 C ASN A 41 4.879 8.045 -9.832 1.00 0.00 C ATOM 618 O ASN A 41 4.868 8.396 -11.015 1.00 0.00 O ATOM 619 CB ASN A 41 6.984 6.689 -10.035 1.00 0.00 C ATOM 620 CG ASN A 41 8.404 6.461 -9.545 1.00 0.00 C ATOM 621 OD1 ASN A 41 9.134 7.413 -9.267 1.00 0.00 O ATOM 622 ND2 ASN A 41 8.807 5.196 -9.438 1.00 0.00 N ATOM 0 H ASN A 41 6.075 6.098 -7.772 1.00 0.00 H new ATOM 0 HA ASN A 41 6.795 8.592 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.453 5.737 -10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.011 7.063 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.752 4.987 -9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.171 4.436 -9.678 1.00 0.00 H new ATOM 629 N GLY A 42 3.759 7.964 -9.085 1.00 0.00 N ATOM 630 CA GLY A 42 2.466 8.285 -9.622 1.00 0.00 C ATOM 631 C GLY A 42 1.934 7.182 -10.497 1.00 0.00 C ATOM 632 O GLY A 42 1.372 7.461 -11.560 1.00 0.00 O ATOM 0 H GLY A 42 3.748 7.676 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.769 8.469 -8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.531 9.207 -10.199 1.00 0.00 H new ATOM 636 N GLU A 43 2.111 5.921 -10.066 1.00 0.00 N ATOM 637 CA GLU A 43 1.621 4.797 -10.881 1.00 0.00 C ATOM 638 C GLU A 43 1.538 3.491 -10.104 1.00 0.00 C ATOM 639 O GLU A 43 2.457 3.137 -9.375 1.00 0.00 O ATOM 640 CB GLU A 43 2.507 4.606 -12.113 1.00 0.00 C ATOM 641 CG GLU A 43 3.985 4.464 -11.790 1.00 0.00 C ATOM 642 CD GLU A 43 4.864 4.655 -13.010 1.00 0.00 C ATOM 643 OE1 GLU A 43 4.987 3.703 -13.808 1.00 0.00 O ATOM 644 OE2 GLU A 43 5.428 5.759 -13.167 1.00 0.00 O ATOM 0 H GLU A 43 2.571 5.660 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 43 0.607 5.057 -11.187 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.176 3.719 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.371 5.456 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.260 5.195 -11.030 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.168 3.477 -11.365 1.00 0.00 H new ATOM 651 N LYS A 44 0.421 2.768 -10.290 1.00 0.00 N ATOM 652 CA LYS A 44 0.184 1.480 -9.619 1.00 0.00 C ATOM 653 C LYS A 44 1.312 0.478 -9.860 1.00 0.00 C ATOM 654 O LYS A 44 1.882 0.424 -10.952 1.00 0.00 O ATOM 655 CB LYS A 44 -1.143 0.871 -10.074 1.00 0.00 C ATOM 656 CG LYS A 44 -1.749 -0.075 -9.049 1.00 0.00 C ATOM 657 CD LYS A 44 -2.744 -1.024 -9.695 1.00 0.00 C ATOM 658 CE LYS A 44 -3.721 -1.588 -8.680 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.764 -2.431 -9.329 1.00 0.00 N ATOM 0 H LYS A 44 -0.339 3.058 -10.906 1.00 0.00 H new ATOM 0 HA LYS A 44 0.147 1.690 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.851 1.673 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.987 0.332 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.957 -0.648 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.246 0.501 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.293 -0.499 -10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.207 -1.841 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.179 -2.182 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.198 -0.770 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.413 -2.799 -8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.298 -1.858 -10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.310 -3.226 -9.823 1.00 0.00 H new ATOM 673 N LEU A 45 1.622 -0.318 -8.829 1.00 0.00 N ATOM 674 CA LEU A 45 2.677 -1.331 -8.919 1.00 0.00 C ATOM 675 C LEU A 45 2.075 -2.733 -8.928 1.00 0.00 C ATOM 676 O LEU A 45 1.072 -2.987 -8.256 1.00 0.00 O ATOM 677 CB LEU A 45 3.665 -1.181 -7.756 1.00 0.00 C ATOM 678 CG LEU A 45 3.066 -1.350 -6.346 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.123 -2.809 -5.906 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.790 -0.462 -5.338 1.00 0.00 C ATOM 0 H LEU A 45 1.156 -0.279 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 45 3.217 -1.182 -9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.462 -1.914 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.126 -0.195 -7.819 1.00 0.00 H new ATOM 0 HG LEU A 45 2.021 -1.042 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.695 -2.905 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.555 -3.422 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.160 -3.144 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.350 -0.599 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.845 -0.734 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.693 0.582 -5.637 1.00 0.00 H new ATOM 692 N SER A 46 2.686 -3.636 -9.702 1.00 0.00 N ATOM 693 CA SER A 46 2.205 -5.010 -9.808 1.00 0.00 C ATOM 694 C SER A 46 2.745 -5.876 -8.666 1.00 0.00 C ATOM 695 O SER A 46 3.776 -5.547 -8.075 1.00 0.00 O ATOM 696 CB SER A 46 2.607 -5.616 -11.153 1.00 0.00 C ATOM 697 OG SER A 46 2.429 -4.686 -12.206 1.00 0.00 O ATOM 0 H SER A 46 3.514 -3.436 -10.263 1.00 0.00 H new ATOM 0 HA SER A 46 1.118 -4.987 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.649 -5.932 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.010 -6.507 -11.346 1.00 0.00 H new ATOM 0 HG SER A 46 2.695 -5.098 -13.055 1.00 0.00 H new ATOM 703 N PRO A 47 2.059 -7.002 -8.333 1.00 0.00 N ATOM 704 CA PRO A 47 2.493 -7.898 -7.257 1.00 0.00 C ATOM 705 C PRO A 47 3.622 -8.838 -7.689 1.00 0.00 C ATOM 706 O PRO A 47 4.430 -9.260 -6.859 1.00 0.00 O ATOM 707 CB PRO A 47 1.222 -8.680 -6.932 1.00 0.00 C ATOM 708 CG PRO A 47 0.492 -8.760 -8.226 1.00 0.00 C ATOM 709 CD PRO A 47 0.813 -7.492 -8.975 1.00 0.00 C ATOM 0 HA PRO A 47 2.906 -7.354 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.455 -9.672 -6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.628 -8.173 -6.172 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.804 -9.636 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.581 -8.853 -8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.960 -7.683 -10.038 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.007 -6.763 -8.890 1.00 0.00 H new ATOM 717 N ASN A 48 3.682 -9.156 -8.991 1.00 0.00 N ATOM 718 CA ASN A 48 4.721 -10.036 -9.533 1.00 0.00 C ATOM 719 C ASN A 48 5.567 -9.277 -10.565 1.00 0.00 C ATOM 720 O ASN A 48 5.557 -9.590 -11.760 1.00 0.00 O ATOM 721 CB ASN A 48 4.096 -11.299 -10.147 1.00 0.00 C ATOM 722 CG ASN A 48 3.048 -10.992 -11.205 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.374 -10.775 -12.371 1.00 0.00 O ATOM 724 ND2 ASN A 48 1.777 -10.984 -10.807 1.00 0.00 N ATOM 0 H ASN A 48 3.020 -8.814 -9.687 1.00 0.00 H new ATOM 0 HA ASN A 48 5.375 -10.352 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.884 -11.908 -10.590 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.641 -11.894 -9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.033 -10.793 -11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.547 -11.169 -9.831 1.00 0.00 H new ATOM 731 N GLN A 49 6.302 -8.265 -10.084 1.00 0.00 N ATOM 732 CA GLN A 49 7.162 -7.440 -10.946 1.00 0.00 C ATOM 733 C GLN A 49 8.601 -7.395 -10.427 1.00 0.00 C ATOM 734 O GLN A 49 9.529 -7.789 -11.137 1.00 0.00 O ATOM 735 CB GLN A 49 6.611 -6.005 -11.091 1.00 0.00 C ATOM 736 CG GLN A 49 6.075 -5.369 -9.801 1.00 0.00 C ATOM 737 CD GLN A 49 6.914 -4.200 -9.299 1.00 0.00 C ATOM 738 OE1 GLN A 49 7.674 -3.596 -10.056 1.00 0.00 O ATOM 739 NE2 GLN A 49 6.777 -3.874 -8.015 1.00 0.00 N ATOM 0 H GLN A 49 6.319 -7.997 -9.100 1.00 0.00 H new ATOM 0 HA GLN A 49 7.164 -7.911 -11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.403 -5.369 -11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.810 -6.015 -11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.055 -5.025 -9.973 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.028 -6.131 -9.023 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.136 -4.400 -7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.313 -3.098 -7.626 1.00 0.00 H new ATOM 748 N GLN A 50 8.783 -6.903 -9.197 1.00 0.00 N ATOM 749 CA GLN A 50 10.116 -6.793 -8.591 1.00 0.00 C ATOM 750 C GLN A 50 10.060 -7.154 -7.095 1.00 0.00 C ATOM 751 O GLN A 50 9.101 -7.780 -6.643 1.00 0.00 O ATOM 752 CB GLN A 50 10.679 -5.368 -8.794 1.00 0.00 C ATOM 753 CG GLN A 50 10.487 -4.802 -10.196 1.00 0.00 C ATOM 754 CD GLN A 50 11.425 -5.431 -11.214 1.00 0.00 C ATOM 755 OE1 GLN A 50 11.841 -6.580 -11.063 1.00 0.00 O ATOM 756 NE2 GLN A 50 11.764 -4.683 -12.263 1.00 0.00 N ATOM 0 H GLN A 50 8.024 -6.574 -8.600 1.00 0.00 H new ATOM 0 HA GLN A 50 10.784 -7.499 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.203 -4.698 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.744 -5.376 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.456 -4.962 -10.510 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.650 -3.724 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.398 -3.735 -12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.389 -5.058 -12.976 1.00 0.00 H new ATOM 765 N ARG A 51 11.092 -6.756 -6.331 1.00 0.00 N ATOM 766 CA ARG A 51 11.175 -7.030 -4.885 1.00 0.00 C ATOM 767 C ARG A 51 9.914 -6.602 -4.114 1.00 0.00 C ATOM 768 O ARG A 51 9.646 -7.127 -3.027 1.00 0.00 O ATOM 769 CB ARG A 51 12.405 -6.330 -4.305 1.00 0.00 C ATOM 770 CG ARG A 51 13.703 -6.746 -4.996 1.00 0.00 C ATOM 771 CD ARG A 51 14.634 -5.568 -5.256 1.00 0.00 C ATOM 772 NE ARG A 51 14.410 -4.980 -6.582 1.00 0.00 N ATOM 773 CZ ARG A 51 15.318 -4.281 -7.279 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.537 -4.042 -6.794 1.00 0.00 N ATOM 775 NH2 ARG A 51 15.000 -3.812 -8.478 1.00 0.00 N ATOM 0 H ARG A 51 11.890 -6.237 -6.697 1.00 0.00 H new ATOM 0 HA ARG A 51 11.259 -8.110 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.280 -5.251 -4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.477 -6.554 -3.241 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.219 -7.482 -4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.466 -7.233 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.481 -4.807 -4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.670 -5.898 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 51 13.492 -5.113 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.797 -4.394 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.209 -3.508 -7.344 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.071 -3.984 -8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.684 -3.279 -9.015 1.00 0.00 H new ATOM 789 N ILE A 52 9.148 -5.656 -4.676 1.00 0.00 N ATOM 790 CA ILE A 52 7.919 -5.180 -4.040 1.00 0.00 C ATOM 791 C ILE A 52 6.760 -6.137 -4.342 1.00 0.00 C ATOM 792 O ILE A 52 6.158 -6.076 -5.416 1.00 0.00 O ATOM 793 CB ILE A 52 7.549 -3.739 -4.492 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.756 -2.800 -4.308 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.332 -3.225 -3.714 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.518 -1.371 -4.764 1.00 0.00 C ATOM 0 H ILE A 52 9.360 -5.208 -5.568 1.00 0.00 H new ATOM 0 HA ILE A 52 8.099 -5.153 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 52 7.286 -3.760 -5.550 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.035 -2.790 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.604 -3.207 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.089 -2.215 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.481 -3.881 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.560 -3.213 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.419 -0.781 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.271 -1.364 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.693 -0.941 -4.197 1.00 0.00 H new ATOM 808 N SER A 53 6.459 -7.019 -3.382 1.00 0.00 N ATOM 809 CA SER A 53 5.378 -7.996 -3.526 1.00 0.00 C ATOM 810 C SER A 53 4.161 -7.592 -2.692 1.00 0.00 C ATOM 811 O SER A 53 4.266 -7.421 -1.477 1.00 0.00 O ATOM 812 CB SER A 53 5.867 -9.381 -3.093 1.00 0.00 C ATOM 813 OG SER A 53 4.952 -10.390 -3.483 1.00 0.00 O ATOM 0 H SER A 53 6.954 -7.075 -2.492 1.00 0.00 H new ATOM 0 HA SER A 53 5.081 -8.026 -4.574 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.843 -9.580 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.997 -9.402 -2.011 1.00 0.00 H new ATOM 0 HG SER A 53 5.288 -11.265 -3.196 1.00 0.00 H new ATOM 819 N VAL A 54 3.007 -7.447 -3.353 1.00 0.00 N ATOM 820 CA VAL A 54 1.761 -7.067 -2.675 1.00 0.00 C ATOM 821 C VAL A 54 0.976 -8.317 -2.277 1.00 0.00 C ATOM 822 O VAL A 54 1.177 -9.386 -2.861 1.00 0.00 O ATOM 823 CB VAL A 54 0.865 -6.170 -3.572 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.296 -5.586 -2.775 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.676 -5.053 -4.223 1.00 0.00 C ATOM 0 H VAL A 54 2.909 -7.587 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 54 2.037 -6.498 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 54 0.458 -6.801 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.907 -4.962 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.905 -6.396 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.093 -4.982 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.021 -4.442 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.125 -4.431 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.462 -5.487 -4.841 1.00 0.00 H new ATOM 835 N VAL A 55 0.082 -8.184 -1.285 1.00 0.00 N ATOM 836 CA VAL A 55 -0.723 -9.318 -0.829 1.00 0.00 C ATOM 837 C VAL A 55 -2.076 -8.870 -0.257 1.00 0.00 C ATOM 838 O VAL A 55 -2.186 -7.800 0.338 1.00 0.00 O ATOM 839 CB VAL A 55 0.050 -10.172 0.216 1.00 0.00 C ATOM 840 CG1 VAL A 55 0.336 -9.384 1.493 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.701 -11.462 0.534 1.00 0.00 C ATOM 0 H VAL A 55 -0.098 -7.310 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.921 -9.936 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 55 1.009 -10.435 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.877 -10.016 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.940 -8.509 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.605 -9.064 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.138 -12.040 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.684 -11.221 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.819 -12.049 -0.377 1.00 0.00 H new ATOM 851 N TRP A 56 -3.090 -9.722 -0.434 1.00 0.00 N ATOM 852 CA TRP A 56 -4.440 -9.463 0.066 1.00 0.00 C ATOM 853 C TRP A 56 -4.849 -10.601 0.997 1.00 0.00 C ATOM 854 O TRP A 56 -4.953 -11.749 0.559 1.00 0.00 O ATOM 855 CB TRP A 56 -5.417 -9.353 -1.104 1.00 0.00 C ATOM 856 CG TRP A 56 -5.087 -8.221 -2.023 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.665 -6.987 -2.038 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.093 -8.211 -3.055 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.089 -6.207 -3.007 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.126 -6.936 -3.650 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.179 -9.154 -3.534 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.282 -6.579 -4.696 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.341 -8.798 -4.574 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.398 -7.520 -5.145 1.00 0.00 C ATOM 0 H TRP A 56 -2.997 -10.610 -0.928 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.457 -8.522 0.616 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.411 -10.287 -1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.428 -9.220 -0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.462 -6.670 -1.381 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.338 -5.240 -3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.129 -10.142 -3.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.323 -5.594 -5.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.630 -9.517 -4.953 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.730 -7.273 -5.957 1.00 0.00 H new ATOM 875 N ASN A 57 -5.042 -10.296 2.289 1.00 0.00 N ATOM 876 CA ASN A 57 -5.395 -11.331 3.282 1.00 0.00 C ATOM 877 C ASN A 57 -6.836 -11.194 3.796 1.00 0.00 C ATOM 878 O ASN A 57 -7.721 -11.927 3.348 1.00 0.00 O ATOM 879 CB ASN A 57 -4.387 -11.354 4.463 1.00 0.00 C ATOM 880 CG ASN A 57 -3.781 -9.996 4.809 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.168 -9.366 5.794 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.817 -9.544 4.005 1.00 0.00 N ATOM 0 H ASN A 57 -4.962 -9.354 2.671 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.333 -12.286 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.891 -11.748 5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.580 -12.046 4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.372 -8.646 4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.525 -10.096 3.199 1.00 0.00 H new ATOM 889 N ASP A 58 -7.068 -10.279 4.749 1.00 0.00 N ATOM 890 CA ASP A 58 -8.403 -10.078 5.341 1.00 0.00 C ATOM 891 C ASP A 58 -9.466 -9.766 4.280 1.00 0.00 C ATOM 892 O ASP A 58 -9.179 -9.780 3.082 1.00 0.00 O ATOM 893 CB ASP A 58 -8.364 -8.957 6.393 1.00 0.00 C ATOM 894 CG ASP A 58 -7.261 -9.136 7.433 1.00 0.00 C ATOM 895 OD1 ASP A 58 -6.535 -10.156 7.382 1.00 0.00 O ATOM 896 OD2 ASP A 58 -7.123 -8.249 8.301 1.00 0.00 O ATOM 0 H ASP A 58 -6.348 -9.664 5.128 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.683 -11.015 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.225 -8.001 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.327 -8.912 6.901 1.00 0.00 H new ATOM 901 N ASP A 59 -10.703 -9.494 4.733 1.00 0.00 N ATOM 902 CA ASP A 59 -11.828 -9.187 3.832 1.00 0.00 C ATOM 903 C ASP A 59 -11.477 -8.088 2.826 1.00 0.00 C ATOM 904 O ASP A 59 -11.887 -8.151 1.664 1.00 0.00 O ATOM 905 CB ASP A 59 -13.059 -8.764 4.638 1.00 0.00 C ATOM 906 CG ASP A 59 -13.657 -9.911 5.428 1.00 0.00 C ATOM 907 OD1 ASP A 59 -13.037 -10.330 6.428 1.00 0.00 O ATOM 908 OD2 ASP A 59 -14.745 -10.391 5.047 1.00 0.00 O ATOM 0 H ASP A 59 -10.949 -9.481 5.723 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.047 -10.098 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.784 -7.961 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.812 -8.362 3.961 1.00 0.00 H new ATOM 913 N ASP A 60 -10.712 -7.089 3.281 1.00 0.00 N ATOM 914 CA ASP A 60 -10.303 -5.983 2.417 1.00 0.00 C ATOM 915 C ASP A 60 -8.973 -5.349 2.864 1.00 0.00 C ATOM 916 O ASP A 60 -8.689 -4.199 2.514 1.00 0.00 O ATOM 917 CB ASP A 60 -11.411 -4.928 2.368 1.00 0.00 C ATOM 918 CG ASP A 60 -12.498 -5.283 1.371 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.252 -5.154 0.153 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.594 -5.691 1.808 1.00 0.00 O ATOM 0 H ASP A 60 -10.367 -7.026 4.239 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.139 -6.388 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.851 -4.820 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.979 -3.963 2.104 1.00 0.00 H new ATOM 925 N SER A 61 -8.150 -6.103 3.611 1.00 0.00 N ATOM 926 CA SER A 61 -6.845 -5.615 4.069 1.00 0.00 C ATOM 927 C SER A 61 -5.742 -6.162 3.161 1.00 0.00 C ATOM 928 O SER A 61 -5.791 -7.329 2.752 1.00 0.00 O ATOM 929 CB SER A 61 -6.596 -6.007 5.537 1.00 0.00 C ATOM 930 OG SER A 61 -6.041 -7.308 5.658 1.00 0.00 O ATOM 0 H SER A 61 -8.368 -7.054 3.909 1.00 0.00 H new ATOM 0 HA SER A 61 -6.837 -4.526 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.923 -5.283 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.536 -5.962 6.088 1.00 0.00 H new ATOM 0 HG SER A 61 -5.064 -7.254 5.596 1.00 0.00 H new ATOM 936 N SER A 62 -4.762 -5.314 2.829 1.00 0.00 N ATOM 937 CA SER A 62 -3.665 -5.714 1.943 1.00 0.00 C ATOM 938 C SER A 62 -2.352 -5.081 2.377 1.00 0.00 C ATOM 939 O SER A 62 -2.304 -3.885 2.672 1.00 0.00 O ATOM 940 CB SER A 62 -3.985 -5.312 0.501 1.00 0.00 C ATOM 941 OG SER A 62 -5.372 -5.416 0.241 1.00 0.00 O ATOM 0 H SER A 62 -4.707 -4.351 3.159 1.00 0.00 H new ATOM 0 HA SER A 62 -3.558 -6.797 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.654 -4.289 0.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.433 -5.950 -0.189 1.00 0.00 H new ATOM 0 HG SER A 62 -5.519 -5.499 -0.724 1.00 0.00 H new ATOM 947 N THR A 63 -1.286 -5.889 2.413 1.00 0.00 N ATOM 948 CA THR A 63 0.033 -5.410 2.815 1.00 0.00 C ATOM 949 C THR A 63 0.950 -5.202 1.607 1.00 0.00 C ATOM 950 O THR A 63 0.945 -5.997 0.663 1.00 0.00 O ATOM 951 CB THR A 63 0.678 -6.388 3.798 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.302 -6.997 4.622 1.00 0.00 O ATOM 953 CG2 THR A 63 1.691 -5.729 4.705 1.00 0.00 C ATOM 0 H THR A 63 -1.316 -6.879 2.167 1.00 0.00 H new ATOM 0 HA THR A 63 -0.103 -4.445 3.304 1.00 0.00 H new ATOM 0 HB THR A 63 1.185 -7.129 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.133 -7.620 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.114 -6.473 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.487 -5.290 4.103 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.204 -4.947 5.287 1.00 0.00 H new ATOM 961 N LEU A 64 1.744 -4.127 1.661 1.00 0.00 N ATOM 962 CA LEU A 64 2.689 -3.781 0.609 1.00 0.00 C ATOM 963 C LEU A 64 4.096 -4.147 1.056 1.00 0.00 C ATOM 964 O LEU A 64 4.752 -3.360 1.745 1.00 0.00 O ATOM 965 CB LEU A 64 2.611 -2.268 0.327 1.00 0.00 C ATOM 966 CG LEU A 64 3.222 -1.703 -0.993 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.193 -0.557 -0.696 1.00 0.00 C ATOM 968 CD2 LEU A 64 3.905 -2.767 -1.860 1.00 0.00 C ATOM 0 H LEU A 64 1.744 -3.472 2.443 1.00 0.00 H new ATOM 0 HA LEU A 64 2.443 -4.330 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.559 -1.985 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.095 -1.755 1.158 1.00 0.00 H new ATOM 0 HG LEU A 64 2.380 -1.326 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.607 -0.179 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.663 0.245 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.002 -0.921 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.306 -2.301 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.717 -3.228 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.178 -3.530 -2.139 1.00 0.00 H new ATOM 980 N THR A 65 4.546 -5.345 0.677 1.00 0.00 N ATOM 981 CA THR A 65 5.876 -5.822 1.055 1.00 0.00 C ATOM 982 C THR A 65 6.923 -5.328 0.054 1.00 0.00 C ATOM 983 O THR A 65 6.683 -5.313 -1.153 1.00 0.00 O ATOM 984 CB THR A 65 5.914 -7.370 1.182 1.00 0.00 C ATOM 985 OG1 THR A 65 4.626 -7.939 1.005 1.00 0.00 O ATOM 986 CG2 THR A 65 6.429 -7.849 2.526 1.00 0.00 C ATOM 0 H THR A 65 4.009 -6.001 0.110 1.00 0.00 H new ATOM 0 HA THR A 65 6.113 -5.412 2.037 1.00 0.00 H new ATOM 0 HB THR A 65 6.598 -7.693 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.452 -8.063 0.049 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.430 -8.939 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.444 -7.482 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.784 -7.471 3.319 1.00 0.00 H new ATOM 994 N ILE A 66 8.082 -4.928 0.578 1.00 0.00 N ATOM 995 CA ILE A 66 9.188 -4.431 -0.237 1.00 0.00 C ATOM 996 C ILE A 66 10.487 -5.027 0.290 1.00 0.00 C ATOM 997 O ILE A 66 11.076 -4.490 1.222 1.00 0.00 O ATOM 998 CB ILE A 66 9.254 -2.875 -0.211 1.00 0.00 C ATOM 999 CG1 ILE A 66 7.902 -2.294 -0.658 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.402 -2.335 -1.085 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.781 -0.797 -0.474 1.00 0.00 C ATOM 0 H ILE A 66 8.279 -4.940 1.579 1.00 0.00 H new ATOM 0 HA ILE A 66 9.033 -4.732 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 66 9.460 -2.559 0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.746 -2.534 -1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.105 -2.784 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.413 -1.246 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.352 -2.723 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.254 -2.653 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.799 -0.467 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.903 -0.549 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.553 -0.295 -1.057 1.00 0.00 H new ATOM 1013 N TYR A 67 10.902 -6.161 -0.294 1.00 0.00 N ATOM 1014 CA TYR A 67 12.119 -6.866 0.141 1.00 0.00 C ATOM 1015 C TYR A 67 13.378 -5.969 -0.004 1.00 0.00 C ATOM 1016 O TYR A 67 13.479 -4.967 0.702 1.00 0.00 O ATOM 1017 CB TYR A 67 12.232 -8.222 -0.601 1.00 0.00 C ATOM 1018 CG TYR A 67 10.945 -9.036 -0.617 1.00 0.00 C ATOM 1019 CD1 TYR A 67 10.151 -9.155 0.521 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.525 -9.681 -1.776 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.981 -9.890 0.501 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.357 -10.418 -1.800 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.589 -10.519 -0.661 1.00 0.00 C ATOM 1024 OH TYR A 67 7.426 -11.254 -0.682 1.00 0.00 O ATOM 0 H TYR A 67 10.413 -6.610 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 67 12.049 -7.089 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.543 -8.036 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.018 -8.815 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.455 -8.665 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.123 -9.604 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.376 -9.971 1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.047 -10.913 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 67 7.293 -11.631 -1.577 1.00 0.00 H new ATOM 1034 N ASN A 68 14.338 -6.298 -0.896 1.00 0.00 N ATOM 1035 CA ASN A 68 15.549 -5.475 -1.076 1.00 0.00 C ATOM 1036 C ASN A 68 15.181 -4.018 -1.396 1.00 0.00 C ATOM 1037 O ASN A 68 14.926 -3.672 -2.549 1.00 0.00 O ATOM 1038 CB ASN A 68 16.437 -6.049 -2.186 1.00 0.00 C ATOM 1039 CG ASN A 68 17.904 -5.709 -1.983 1.00 0.00 C ATOM 1040 OD1 ASN A 68 18.712 -6.580 -1.661 1.00 0.00 O ATOM 1041 ND2 ASN A 68 18.260 -4.438 -2.167 1.00 0.00 N ATOM 0 H ASN A 68 14.297 -7.121 -1.497 1.00 0.00 H new ATOM 0 HA ASN A 68 16.105 -5.493 -0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.318 -7.132 -2.220 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.106 -5.662 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 68 19.233 -4.157 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.560 -3.746 -2.434 1.00 0.00 H new ATOM 1048 N ALA A 69 15.125 -3.186 -0.352 1.00 0.00 N ATOM 1049 CA ALA A 69 14.755 -1.778 -0.493 1.00 0.00 C ATOM 1050 C ALA A 69 15.830 -0.970 -1.212 1.00 0.00 C ATOM 1051 O ALA A 69 17.018 -1.267 -1.097 1.00 0.00 O ATOM 1052 CB ALA A 69 14.474 -1.171 0.876 1.00 0.00 C ATOM 0 H ALA A 69 15.333 -3.468 0.606 1.00 0.00 H new ATOM 0 HA ALA A 69 13.853 -1.738 -1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.199 -0.123 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.655 -1.710 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.367 -1.246 1.497 1.00 0.00 H new ATOM 1058 N ASN A 70 15.397 0.064 -1.943 1.00 0.00 N ATOM 1059 CA ASN A 70 16.309 0.941 -2.674 1.00 0.00 C ATOM 1060 C ASN A 70 15.836 2.397 -2.601 1.00 0.00 C ATOM 1061 O ASN A 70 14.640 2.676 -2.427 1.00 0.00 O ATOM 1062 CB ASN A 70 16.421 0.510 -4.142 1.00 0.00 C ATOM 1063 CG ASN A 70 16.752 -0.966 -4.305 1.00 0.00 C ATOM 1064 OD1 ASN A 70 17.918 -1.340 -4.432 1.00 0.00 O ATOM 1065 ND2 ASN A 70 15.727 -1.817 -4.305 1.00 0.00 N ATOM 0 H ASN A 70 14.413 0.312 -2.042 1.00 0.00 H new ATOM 0 HA ASN A 70 17.291 0.862 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.481 0.724 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.191 1.106 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.895 -2.817 -4.413 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.775 -1.468 -4.197 1.00 0.00 H new ATOM 1072 N ILE A 71 16.777 3.336 -2.745 1.00 0.00 N ATOM 1073 CA ILE A 71 16.453 4.770 -2.705 1.00 0.00 C ATOM 1074 C ILE A 71 15.347 5.147 -3.707 1.00 0.00 C ATOM 1075 O ILE A 71 14.636 6.134 -3.504 1.00 0.00 O ATOM 1076 CB ILE A 71 17.700 5.645 -2.965 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.394 5.231 -4.271 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.660 5.550 -1.787 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.553 6.128 -4.661 1.00 0.00 C ATOM 0 H ILE A 71 17.766 3.132 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 71 16.086 4.965 -1.698 1.00 0.00 H new ATOM 0 HB ILE A 71 17.382 6.682 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.757 4.208 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.660 5.231 -5.077 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.535 6.170 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.161 5.898 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.971 4.514 -1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 71 19.991 5.771 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.194 7.148 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.308 6.110 -3.875 1.00 0.00 H new ATOM 1091 N ASP A 72 15.193 4.344 -4.772 1.00 0.00 N ATOM 1092 CA ASP A 72 14.159 4.586 -5.777 1.00 0.00 C ATOM 1093 C ASP A 72 12.776 4.270 -5.207 1.00 0.00 C ATOM 1094 O ASP A 72 11.818 5.009 -5.448 1.00 0.00 O ATOM 1095 CB ASP A 72 14.417 3.746 -7.032 1.00 0.00 C ATOM 1096 CG ASP A 72 15.726 4.106 -7.705 1.00 0.00 C ATOM 1097 OD1 ASP A 72 16.056 5.310 -7.753 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.421 3.186 -8.184 1.00 0.00 O ATOM 0 H ASP A 72 15.773 3.525 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 72 14.192 5.640 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.427 2.690 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.598 3.888 -7.737 1.00 0.00 H new ATOM 1103 N ASP A 73 12.680 3.172 -4.441 1.00 0.00 N ATOM 1104 CA ASP A 73 11.422 2.761 -3.824 1.00 0.00 C ATOM 1105 C ASP A 73 10.978 3.771 -2.768 1.00 0.00 C ATOM 1106 O ASP A 73 9.780 4.017 -2.608 1.00 0.00 O ATOM 1107 CB ASP A 73 11.562 1.368 -3.196 1.00 0.00 C ATOM 1108 CG ASP A 73 11.642 0.263 -4.234 1.00 0.00 C ATOM 1109 OD1 ASP A 73 11.032 0.411 -5.315 1.00 0.00 O ATOM 1110 OD2 ASP A 73 12.317 -0.754 -3.965 1.00 0.00 O ATOM 0 H ASP A 73 13.466 2.555 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 73 10.661 2.721 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.457 1.342 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.712 1.183 -2.539 1.00 0.00 H new ATOM 1115 N ALA A 74 11.948 4.361 -2.045 1.00 0.00 N ATOM 1116 CA ALA A 74 11.643 5.359 -0.998 1.00 0.00 C ATOM 1117 C ALA A 74 10.724 6.484 -1.501 1.00 0.00 C ATOM 1118 O ALA A 74 11.157 7.346 -2.270 1.00 0.00 O ATOM 1119 CB ALA A 74 12.932 5.956 -0.445 1.00 0.00 C ATOM 0 H ALA A 74 12.942 4.167 -2.164 1.00 0.00 H new ATOM 0 HA ALA A 74 11.109 4.832 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.692 6.689 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.544 5.164 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.483 6.442 -1.250 1.00 0.00 H new ATOM 1125 N GLY A 75 9.464 6.466 -1.050 1.00 0.00 N ATOM 1126 CA GLY A 75 8.505 7.485 -1.449 1.00 0.00 C ATOM 1127 C GLY A 75 7.155 7.305 -0.778 1.00 0.00 C ATOM 1128 O GLY A 75 6.977 6.379 0.016 1.00 0.00 O ATOM 0 H GLY A 75 9.093 5.760 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.902 8.470 -1.202 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.377 7.455 -2.531 1.00 0.00 H new ATOM 1132 N ILE A 76 6.205 8.191 -1.097 1.00 0.00 N ATOM 1133 CA ILE A 76 4.864 8.124 -0.516 1.00 0.00 C ATOM 1134 C ILE A 76 3.993 7.108 -1.261 1.00 0.00 C ATOM 1135 O ILE A 76 3.364 7.444 -2.269 1.00 0.00 O ATOM 1136 CB ILE A 76 4.156 9.512 -0.525 1.00 0.00 C ATOM 1137 CG1 ILE A 76 5.066 10.603 0.064 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.831 9.462 0.239 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.475 10.361 1.502 1.00 0.00 C ATOM 0 H ILE A 76 6.342 8.960 -1.753 1.00 0.00 H new ATOM 0 HA ILE A 76 4.988 7.806 0.519 1.00 0.00 H new ATOM 0 HB ILE A 76 3.945 9.763 -1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.964 10.681 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.552 11.562 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.360 10.445 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.170 8.731 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.018 9.174 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.115 11.176 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.586 10.314 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.019 9.419 1.572 1.00 0.00 H new ATOM 1151 N TYR A 77 3.935 5.875 -0.741 1.00 0.00 N ATOM 1152 CA TYR A 77 3.109 4.829 -1.345 1.00 0.00 C ATOM 1153 C TYR A 77 1.638 5.142 -1.086 1.00 0.00 C ATOM 1154 O TYR A 77 1.323 5.914 -0.175 1.00 0.00 O ATOM 1155 CB TYR A 77 3.455 3.455 -0.772 1.00 0.00 C ATOM 1156 CG TYR A 77 4.772 2.894 -1.258 1.00 0.00 C ATOM 1157 CD1 TYR A 77 5.952 3.250 -0.632 1.00 0.00 C ATOM 1158 CD2 TYR A 77 4.835 1.999 -2.323 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.167 2.738 -1.044 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.047 1.479 -2.743 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.209 1.852 -2.100 1.00 0.00 C ATOM 1162 OH TYR A 77 8.414 1.338 -2.516 1.00 0.00 O ATOM 0 H TYR A 77 4.447 5.582 0.091 1.00 0.00 H new ATOM 0 HA TYR A 77 3.303 4.806 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.481 3.524 0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.659 2.756 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.923 3.943 0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.926 1.707 -2.828 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.078 3.030 -0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.083 0.785 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 77 8.497 1.443 -3.487 1.00 0.00 H new ATOM 1172 N LYS A 78 0.741 4.553 -1.881 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.696 4.790 -1.725 1.00 0.00 C ATOM 1174 C LYS A 78 -1.470 3.485 -1.625 1.00 0.00 C ATOM 1175 O LYS A 78 -1.018 2.445 -2.099 1.00 0.00 O ATOM 1176 CB LYS A 78 -1.240 5.617 -2.896 1.00 0.00 C ATOM 1177 CG LYS A 78 -2.283 6.649 -2.486 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.756 7.478 -3.675 1.00 0.00 C ATOM 1179 CE LYS A 78 -1.631 8.321 -4.261 1.00 0.00 C ATOM 1180 NZ LYS A 78 -2.141 9.567 -4.899 1.00 0.00 N ATOM 0 H LYS A 78 0.983 3.911 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.831 5.345 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.410 6.127 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.679 4.943 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.136 6.144 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.863 7.309 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.153 6.816 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.573 8.129 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.924 8.580 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.084 7.734 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.343 10.111 -5.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.796 9.320 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.641 10.141 -4.190 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.662 3.577 -1.044 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.561 2.441 -0.893 1.00 0.00 C ATOM 1196 C CYS A 79 -4.975 2.911 -1.189 1.00 0.00 C ATOM 1197 O CYS A 79 -5.604 3.554 -0.344 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.479 1.862 0.522 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.185 0.189 0.689 1.00 0.00 S ATOM 0 H CYS A 79 -3.032 4.448 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.272 1.652 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.434 1.835 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.997 2.533 1.207 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.452 2.637 -2.409 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.784 3.079 -2.835 1.00 0.00 C ATOM 1206 C VAL A 80 -7.759 1.915 -2.970 1.00 0.00 C ATOM 1207 O VAL A 80 -7.499 0.947 -3.689 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.745 3.851 -4.181 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -8.048 4.608 -4.403 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.563 4.814 -4.240 1.00 0.00 C ATOM 0 H VAL A 80 -4.937 2.113 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.131 3.750 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.622 3.116 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.001 5.143 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.879 3.903 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.198 5.321 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.567 5.337 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.643 5.538 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.633 4.255 -4.136 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.902 2.044 -2.288 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.961 1.048 -2.330 1.00 0.00 C ATOM 1222 C VAL A 81 -11.073 1.565 -3.251 1.00 0.00 C ATOM 1223 O VAL A 81 -11.202 2.774 -3.426 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.484 0.754 -0.879 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.957 0.330 -0.823 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.613 -0.302 -0.215 1.00 0.00 C ATOM 0 H VAL A 81 -9.112 2.845 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.588 0.104 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.418 1.697 -0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -12.243 0.145 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.580 1.124 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -12.096 -0.580 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.983 -0.499 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.645 -1.221 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.585 0.057 -0.159 1.00 0.00 H new ATOM 1236 N THR A 82 -11.869 0.655 -3.833 1.00 0.00 N ATOM 1237 CA THR A 82 -12.965 1.061 -4.735 1.00 0.00 C ATOM 1238 C THR A 82 -14.277 0.348 -4.407 1.00 0.00 C ATOM 1239 O THR A 82 -14.280 -0.822 -4.038 1.00 0.00 O ATOM 1240 CB THR A 82 -12.588 0.814 -6.201 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.188 0.936 -6.391 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.267 1.774 -7.165 1.00 0.00 C ATOM 0 H THR A 82 -11.780 -0.352 -3.700 1.00 0.00 H new ATOM 0 HA THR A 82 -13.119 2.129 -4.581 1.00 0.00 H new ATOM 0 HB THR A 82 -12.928 -0.199 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.970 0.773 -7.332 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.958 1.545 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.349 1.669 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.982 2.797 -6.920 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.395 1.069 -4.551 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.718 0.510 -4.273 1.00 0.00 C ATOM 1252 C ALA A 83 -17.315 -0.151 -5.514 1.00 0.00 C ATOM 1253 O ALA A 83 -16.721 -0.110 -6.593 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.650 1.594 -3.755 1.00 0.00 C ATOM 0 H ALA A 83 -15.407 2.041 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.603 -0.257 -3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.631 1.164 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.242 2.016 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.746 2.380 -4.504 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.496 -0.759 -5.348 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.184 -1.433 -6.453 1.00 0.00 C ATOM 1262 C GLU A 84 -19.644 -0.430 -7.512 1.00 0.00 C ATOM 1263 O GLU A 84 -19.545 -0.700 -8.712 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.391 -2.221 -5.930 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.044 -3.122 -6.976 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.558 -3.167 -6.860 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.201 -2.117 -7.071 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -23.100 -4.251 -6.557 1.00 0.00 O ATOM 0 H GLU A 84 -18.994 -0.797 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.476 -2.122 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.074 -2.833 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.135 -1.519 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -20.772 -2.770 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.647 -4.132 -6.876 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.154 0.721 -7.060 1.00 0.00 N ATOM 1276 CA ASP A 85 -20.639 1.760 -7.968 1.00 0.00 C ATOM 1277 C ASP A 85 -19.491 2.618 -8.497 1.00 0.00 C ATOM 1278 O ASP A 85 -19.514 3.045 -9.655 1.00 0.00 O ATOM 1279 CB ASP A 85 -21.674 2.644 -7.264 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.140 3.276 -5.991 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.229 2.631 -4.925 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -20.634 4.416 -6.061 1.00 0.00 O ATOM 0 H ASP A 85 -20.241 0.954 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.110 1.265 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -21.998 3.430 -7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -22.554 2.046 -7.026 1.00 0.00 H new ATOM 1287 N GLY A 86 -18.492 2.870 -7.641 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.347 3.681 -8.037 1.00 0.00 C ATOM 1289 C GLY A 86 -16.715 4.455 -6.888 1.00 0.00 C ATOM 1290 O GLY A 86 -15.569 4.894 -7.008 1.00 0.00 O ATOM 0 H GLY A 86 -18.458 2.526 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.593 3.034 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.661 4.385 -8.807 1.00 0.00 H new ATOM 1294 N THR A 87 -17.444 4.627 -5.768 1.00 0.00 N ATOM 1295 CA THR A 87 -16.915 5.356 -4.602 1.00 0.00 C ATOM 1296 C THR A 87 -15.633 4.697 -4.088 1.00 0.00 C ATOM 1297 O THR A 87 -15.683 3.655 -3.431 1.00 0.00 O ATOM 1298 CB THR A 87 -17.957 5.424 -3.475 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.165 5.998 -3.946 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.500 6.237 -2.274 1.00 0.00 C ATOM 0 H THR A 87 -18.393 4.274 -5.648 1.00 0.00 H new ATOM 0 HA THR A 87 -16.685 6.372 -4.923 1.00 0.00 H new ATOM 0 HB THR A 87 -18.103 4.392 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.618 5.365 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.285 6.242 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.597 5.793 -1.856 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.290 7.260 -2.586 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.492 5.314 -4.400 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.188 4.793 -3.988 1.00 0.00 C ATOM 1310 C GLN A 88 -12.546 5.661 -2.912 1.00 0.00 C ATOM 1311 O GLN A 88 -12.475 6.885 -3.042 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.232 4.659 -5.189 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.324 5.780 -6.213 1.00 0.00 C ATOM 1314 CD GLN A 88 -11.142 5.805 -7.165 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -11.310 5.706 -8.380 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -9.935 5.935 -6.621 1.00 0.00 N ATOM 0 H GLN A 88 -14.445 6.179 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.366 3.803 -3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -11.209 4.611 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -12.433 3.712 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -13.244 5.668 -6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -12.387 6.736 -5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.838 6.014 -5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.107 5.955 -7.216 1.00 0.00 H new ATOM 1325 N SER A 89 -12.053 5.003 -1.861 1.00 0.00 N ATOM 1326 CA SER A 89 -11.377 5.680 -0.756 1.00 0.00 C ATOM 1327 C SER A 89 -9.864 5.551 -0.949 1.00 0.00 C ATOM 1328 O SER A 89 -9.427 5.005 -1.968 1.00 0.00 O ATOM 1329 CB SER A 89 -11.821 5.063 0.569 1.00 0.00 C ATOM 1330 OG SER A 89 -11.285 3.763 0.729 1.00 0.00 O ATOM 0 H SER A 89 -12.111 3.990 -1.753 1.00 0.00 H new ATOM 0 HA SER A 89 -11.639 6.738 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.499 5.697 1.395 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.909 5.018 0.607 1.00 0.00 H new ATOM 0 HG SER A 89 -12.004 3.101 0.657 1.00 0.00 H new ATOM 1336 N GLU A 90 -9.056 6.053 -0.003 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.600 5.955 -0.158 1.00 0.00 C ATOM 1338 C GLU A 90 -6.813 6.141 1.147 1.00 0.00 C ATOM 1339 O GLU A 90 -7.374 6.450 2.199 1.00 0.00 O ATOM 1340 CB GLU A 90 -7.110 6.946 -1.228 1.00 0.00 C ATOM 1341 CG GLU A 90 -7.128 8.408 -0.798 1.00 0.00 C ATOM 1342 CD GLU A 90 -7.039 9.363 -1.971 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -6.064 9.264 -2.744 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -7.946 10.210 -2.117 1.00 0.00 O ATOM 0 H GLU A 90 -9.373 6.516 0.849 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.402 4.932 -0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.093 6.678 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.730 6.835 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.043 8.607 -0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.295 8.593 -0.120 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.492 5.960 1.033 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.566 6.109 2.156 1.00 0.00 C ATOM 1353 C ALA A 91 -3.141 6.339 1.638 1.00 0.00 C ATOM 1354 O ALA A 91 -2.914 6.313 0.425 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.617 4.881 3.053 1.00 0.00 C ATOM 0 H ALA A 91 -5.037 5.706 0.156 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.866 6.976 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.922 5.008 3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.628 4.756 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.337 3.998 2.478 1.00 0.00 H new ATOM 1361 N THR A 92 -2.186 6.568 2.548 1.00 0.00 N ATOM 1362 CA THR A 92 -0.793 6.805 2.147 1.00 0.00 C ATOM 1363 C THR A 92 0.194 6.445 3.260 1.00 0.00 C ATOM 1364 O THR A 92 -0.187 6.315 4.425 1.00 0.00 O ATOM 1365 CB THR A 92 -0.597 8.272 1.733 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.421 9.133 2.504 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.894 8.526 0.270 1.00 0.00 C ATOM 0 H THR A 92 -2.349 6.594 3.555 1.00 0.00 H new ATOM 0 HA THR A 92 -0.588 6.155 1.296 1.00 0.00 H new ATOM 0 HB THR A 92 0.457 8.482 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.277 10.061 2.223 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.736 9.581 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.230 7.920 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.930 8.261 0.058 1.00 0.00 H new ATOM 1375 N VAL A 93 1.473 6.307 2.881 1.00 0.00 N ATOM 1376 CA VAL A 93 2.535 5.985 3.831 1.00 0.00 C ATOM 1377 C VAL A 93 3.886 6.531 3.343 1.00 0.00 C ATOM 1378 O VAL A 93 4.335 6.200 2.242 1.00 0.00 O ATOM 1379 CB VAL A 93 2.629 4.453 4.083 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.923 3.691 2.790 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.666 4.128 5.164 1.00 0.00 C ATOM 0 H VAL A 93 1.793 6.415 1.918 1.00 0.00 H new ATOM 0 HA VAL A 93 2.285 6.465 4.777 1.00 0.00 H new ATOM 0 HB VAL A 93 1.656 4.122 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.982 2.623 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.125 3.874 2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.872 4.031 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.707 3.049 5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.645 4.488 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.384 4.616 6.097 1.00 0.00 H new ATOM 1391 N ASN A 94 4.524 7.361 4.176 1.00 0.00 N ATOM 1392 CA ASN A 94 5.820 7.945 3.841 1.00 0.00 C ATOM 1393 C ASN A 94 6.940 6.935 4.126 1.00 0.00 C ATOM 1394 O ASN A 94 7.410 6.815 5.260 1.00 0.00 O ATOM 1395 CB ASN A 94 6.014 9.269 4.620 1.00 0.00 C ATOM 1396 CG ASN A 94 7.445 9.819 4.636 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.868 10.423 5.622 1.00 0.00 O ATOM 1398 ND2 ASN A 94 8.197 9.616 3.554 1.00 0.00 N ATOM 0 H ASN A 94 4.160 7.641 5.087 1.00 0.00 H new ATOM 0 HA ASN A 94 5.858 8.180 2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.357 10.024 4.188 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.690 9.116 5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.155 9.965 3.526 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.814 9.111 2.754 1.00 0.00 H new ATOM 1405 N VAL A 95 7.352 6.214 3.080 1.00 0.00 N ATOM 1406 CA VAL A 95 8.410 5.205 3.189 1.00 0.00 C ATOM 1407 C VAL A 95 9.752 5.784 2.738 1.00 0.00 C ATOM 1408 O VAL A 95 9.874 6.276 1.615 1.00 0.00 O ATOM 1409 CB VAL A 95 8.088 3.947 2.339 1.00 0.00 C ATOM 1410 CG1 VAL A 95 9.049 2.810 2.667 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.641 3.496 2.543 1.00 0.00 C ATOM 0 H VAL A 95 6.966 6.311 2.141 1.00 0.00 H new ATOM 0 HA VAL A 95 8.469 4.912 4.237 1.00 0.00 H new ATOM 0 HB VAL A 95 8.215 4.216 1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.804 1.939 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.071 3.125 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.961 2.552 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.446 2.613 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.480 3.255 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.965 4.298 2.246 1.00 0.00 H new ATOM 1421 N LYS A 96 10.755 5.725 3.623 1.00 0.00 N ATOM 1422 CA LYS A 96 12.092 6.245 3.320 1.00 0.00 C ATOM 1423 C LYS A 96 13.093 5.102 3.131 1.00 0.00 C ATOM 1424 O LYS A 96 12.863 3.985 3.595 1.00 0.00 O ATOM 1425 CB LYS A 96 12.560 7.189 4.451 1.00 0.00 C ATOM 1426 CG LYS A 96 13.040 8.548 3.958 1.00 0.00 C ATOM 1427 CD LYS A 96 13.571 9.411 5.097 1.00 0.00 C ATOM 1428 CE LYS A 96 12.456 10.167 5.813 1.00 0.00 C ATOM 1429 NZ LYS A 96 12.891 11.526 6.243 1.00 0.00 N ATOM 0 H LYS A 96 10.665 5.322 4.555 1.00 0.00 H new ATOM 0 HA LYS A 96 12.041 6.806 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.738 7.337 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.367 6.707 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.823 8.408 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.218 9.066 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.099 8.781 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.297 10.123 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.594 10.254 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.133 9.597 6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.104 12.006 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.697 11.442 6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.175 12.079 5.410 1.00 0.00 H new ATOM 1443 N ILE A 97 14.212 5.405 2.466 1.00 0.00 N ATOM 1444 CA ILE A 97 15.276 4.427 2.237 1.00 0.00 C ATOM 1445 C ILE A 97 16.619 5.145 2.124 1.00 0.00 C ATOM 1446 O ILE A 97 16.772 6.072 1.326 1.00 0.00 O ATOM 1447 CB ILE A 97 15.050 3.529 0.990 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.609 2.966 0.986 1.00 0.00 C ATOM 1449 CG2 ILE A 97 16.088 2.400 0.978 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.316 1.955 -0.107 1.00 0.00 C ATOM 0 H ILE A 97 14.404 6.327 2.075 1.00 0.00 H new ATOM 0 HA ILE A 97 15.268 3.758 3.097 1.00 0.00 H new ATOM 0 HB ILE A 97 15.175 4.125 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.415 2.500 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.911 3.797 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.930 1.770 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.090 2.827 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.983 1.800 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.282 1.620 -0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.472 2.417 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.984 1.100 -0.000 1.00 0.00 H new ATOM 1462 N PHE A 98 17.583 4.718 2.945 1.00 0.00 N ATOM 1463 CA PHE A 98 18.923 5.324 2.970 1.00 0.00 C ATOM 1464 C PHE A 98 19.978 4.300 2.545 1.00 0.00 C ATOM 1465 O PHE A 98 20.033 3.194 3.087 1.00 0.00 O ATOM 1466 CB PHE A 98 19.258 5.909 4.375 1.00 0.00 C ATOM 1467 CG PHE A 98 18.307 5.510 5.481 1.00 0.00 C ATOM 1468 CD1 PHE A 98 17.102 6.178 5.654 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.611 4.457 6.329 1.00 0.00 C ATOM 1470 CE1 PHE A 98 16.223 5.803 6.649 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.735 4.081 7.329 1.00 0.00 C ATOM 1472 CZ PHE A 98 16.539 4.754 7.487 1.00 0.00 C ATOM 0 H PHE A 98 17.462 3.951 3.606 1.00 0.00 H new ATOM 0 HA PHE A 98 18.931 6.150 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 98 20.264 5.594 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 98 19.272 6.997 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.850 7.001 5.002 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.543 3.925 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 98 15.288 6.330 6.772 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.985 3.262 7.987 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.852 4.459 8.266 1.00 0.00 H new ATOM 1482 N GLN A 99 20.809 4.681 1.569 1.00 0.00 N ATOM 1483 CA GLN A 99 21.864 3.807 1.059 1.00 0.00 C ATOM 1484 C GLN A 99 23.105 3.883 1.946 1.00 0.00 C ATOM 1485 O GLN A 99 23.392 4.981 2.467 1.00 0.00 O ATOM 1486 CB GLN A 99 22.218 4.196 -0.382 1.00 0.00 C ATOM 1487 CG GLN A 99 23.180 3.237 -1.069 1.00 0.00 C ATOM 1488 CD GLN A 99 22.490 1.997 -1.610 1.00 0.00 C ATOM 1489 OE1 GLN A 99 22.737 0.885 -1.144 1.00 0.00 O ATOM 1490 NE2 GLN A 99 21.619 2.179 -2.602 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.776 2.843 2.114 1.00 0.00 O ATOM 0 H GLN A 99 20.768 5.594 1.116 1.00 0.00 H new ATOM 0 HA GLN A 99 21.498 2.780 1.070 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.300 4.253 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.657 5.194 -0.380 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.680 3.755 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 99 23.954 2.937 -0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.443 3.118 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 99 21.129 1.380 -3.003 1.00 0.00 H new TER 1500 GLN A 99