USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0845 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -134:sc= -0.0502 (180deg=-0.652) USER MOD Single : A 26 ASN : amide:sc= -1.81! C(o=-1.8!,f=-14!) USER MOD Single : A 30 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 34 THR OG1 : rot 107:sc= 0.945 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -126:sc=-0.00449 (180deg=-0.263) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0183 X(o=-0.018,f=0.27) USER MOD Single : A 51 SER OG : rot 180:sc= -0.579 USER MOD Single : A 52 GLN : amide:sc=-0.00627 X(o=-0.0063,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 150:sc= -1.41 USER MOD Single : A 71 ASN : amide:sc= -0.741 K(o=-0.74,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.0762 (180deg=-0.574) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0.0471 (180deg=0.00309) USER MOD Single : A 79 GLN : amide:sc= -2.42 K(o=-2.4,f=-5.2!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.488 F(o=-1,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.140 -14.426 5.901 1.00 0.00 N ATOM 24 CA GLU A 4 4.105 -13.438 6.352 1.00 0.00 C ATOM 25 C GLU A 4 4.754 -12.743 5.153 1.00 0.00 C ATOM 26 O GLU A 4 5.108 -11.567 5.229 1.00 0.00 O ATOM 27 CB GLU A 4 5.163 -14.076 7.254 1.00 0.00 C ATOM 28 CG GLU A 4 5.257 -13.342 8.593 1.00 0.00 C ATOM 29 CD GLU A 4 5.244 -14.329 9.763 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.233 -15.056 9.879 1.00 0.00 O ATOM 31 OE2 GLU A 4 6.245 -14.336 10.512 1.00 0.00 O ATOM 0 HA GLU A 4 3.578 -12.687 6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.916 -15.123 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.132 -14.055 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.171 -12.749 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.423 -12.647 8.690 1.00 0.00 H new ATOM 38 N ALA A 5 4.889 -13.500 4.074 1.00 0.00 N ATOM 39 CA ALA A 5 5.489 -12.972 2.861 1.00 0.00 C ATOM 40 C ALA A 5 4.564 -11.913 2.258 1.00 0.00 C ATOM 41 O ALA A 5 4.940 -11.218 1.316 1.00 0.00 O ATOM 42 CB ALA A 5 5.772 -14.120 1.889 1.00 0.00 C ATOM 0 H ALA A 5 4.593 -14.474 4.015 1.00 0.00 H new ATOM 0 HA ALA A 5 6.441 -12.490 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.222 -13.724 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.457 -14.829 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.839 -14.626 1.642 1.00 0.00 H new ATOM 48 N ILE A 6 3.371 -11.824 2.826 1.00 0.00 N ATOM 49 CA ILE A 6 2.387 -10.863 2.356 1.00 0.00 C ATOM 50 C ILE A 6 2.518 -9.571 3.166 1.00 0.00 C ATOM 51 O ILE A 6 2.550 -8.479 2.599 1.00 0.00 O ATOM 52 CB ILE A 6 0.984 -11.470 2.390 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.666 -12.188 1.077 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.064 -10.410 2.734 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.757 -12.751 1.091 1.00 0.00 C ATOM 0 H ILE A 6 3.063 -12.402 3.608 1.00 0.00 H new ATOM 0 HA ILE A 6 2.572 -10.608 1.313 1.00 0.00 H new ATOM 0 HB ILE A 6 0.954 -12.219 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.779 -11.495 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.379 -12.997 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.053 -10.868 2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.156 -9.985 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.043 -9.621 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.958 -13.256 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.859 -13.461 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.469 -11.937 1.225 1.00 0.00 H new ATOM 67 N LYS A 7 2.589 -9.737 4.478 1.00 0.00 N ATOM 68 CA LYS A 7 2.715 -8.597 5.372 1.00 0.00 C ATOM 69 C LYS A 7 4.085 -7.947 5.170 1.00 0.00 C ATOM 70 O LYS A 7 4.202 -6.722 5.179 1.00 0.00 O ATOM 71 CB LYS A 7 2.439 -9.016 6.816 1.00 0.00 C ATOM 72 CG LYS A 7 1.638 -7.942 7.556 1.00 0.00 C ATOM 73 CD LYS A 7 2.299 -7.583 8.887 1.00 0.00 C ATOM 74 CE LYS A 7 1.642 -6.351 9.512 1.00 0.00 C ATOM 75 NZ LYS A 7 2.143 -6.137 10.887 1.00 0.00 N ATOM 0 H LYS A 7 2.562 -10.644 4.945 1.00 0.00 H new ATOM 0 HA LYS A 7 1.965 -7.842 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.889 -9.957 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.382 -9.193 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.558 -7.050 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.624 -8.299 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.224 -8.427 9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.361 -7.393 8.730 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.850 -5.472 8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.560 -6.478 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.687 -5.297 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.922 -6.969 11.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.173 -5.994 10.863 1.00 0.00 H new ATOM 89 N ASN A 8 5.087 -8.795 4.993 1.00 0.00 N ATOM 90 CA ASN A 8 6.445 -8.317 4.791 1.00 0.00 C ATOM 91 C ASN A 8 6.557 -7.688 3.401 1.00 0.00 C ATOM 92 O ASN A 8 7.079 -6.585 3.256 1.00 0.00 O ATOM 93 CB ASN A 8 7.451 -9.467 4.872 1.00 0.00 C ATOM 94 CG ASN A 8 8.485 -9.214 5.971 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.667 -8.104 6.443 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.150 -10.302 6.348 1.00 0.00 N ATOM 0 H ASN A 8 4.986 -9.810 4.985 1.00 0.00 H new ATOM 0 HA ASN A 8 6.666 -7.589 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.926 -10.401 5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.955 -9.582 3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.863 -10.238 7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.947 -11.201 5.911 1.00 0.00 H new ATOM 103 N GLY A 9 6.059 -8.419 2.414 1.00 0.00 N ATOM 104 CA GLY A 9 6.097 -7.946 1.041 1.00 0.00 C ATOM 105 C GLY A 9 5.334 -6.629 0.892 1.00 0.00 C ATOM 106 O GLY A 9 5.861 -5.660 0.348 1.00 0.00 O ATOM 0 H GLY A 9 5.627 -9.335 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.132 -7.808 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.663 -8.698 0.382 1.00 0.00 H new ATOM 110 N VAL A 10 4.105 -6.635 1.386 1.00 0.00 N ATOM 111 CA VAL A 10 3.263 -5.452 1.316 1.00 0.00 C ATOM 112 C VAL A 10 4.021 -4.258 1.900 1.00 0.00 C ATOM 113 O VAL A 10 3.933 -3.148 1.377 1.00 0.00 O ATOM 114 CB VAL A 10 1.930 -5.716 2.018 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.292 -4.409 2.493 1.00 0.00 C ATOM 116 CG2 VAL A 10 0.976 -6.492 1.108 1.00 0.00 C ATOM 0 H VAL A 10 3.671 -7.441 1.837 1.00 0.00 H new ATOM 0 HA VAL A 10 3.026 -5.212 0.280 1.00 0.00 H new ATOM 0 HB VAL A 10 2.130 -6.330 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.346 -4.625 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.962 -3.910 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.113 -3.759 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.036 -6.667 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.786 -5.915 0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.425 -7.448 0.841 1.00 0.00 H new ATOM 126 N LEU A 11 4.745 -4.526 2.976 1.00 0.00 N ATOM 127 CA LEU A 11 5.517 -3.488 3.637 1.00 0.00 C ATOM 128 C LEU A 11 6.775 -3.194 2.817 1.00 0.00 C ATOM 129 O LEU A 11 7.105 -2.034 2.576 1.00 0.00 O ATOM 130 CB LEU A 11 5.805 -3.876 5.089 1.00 0.00 C ATOM 131 CG LEU A 11 5.931 -2.718 6.080 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.825 -1.685 5.861 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.960 -3.231 7.521 1.00 0.00 C ATOM 0 H LEU A 11 4.813 -5.448 3.407 1.00 0.00 H new ATOM 0 HA LEU A 11 4.945 -2.561 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.009 -4.537 5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.730 -4.452 5.114 1.00 0.00 H new ATOM 0 HG LEU A 11 6.881 -2.215 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.938 -0.873 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.894 -1.287 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.853 -2.158 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.050 -2.388 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.039 -3.773 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.812 -3.898 7.653 1.00 0.00 H new ATOM 145 N ASP A 12 7.443 -4.264 2.413 1.00 0.00 N ATOM 146 CA ASP A 12 8.656 -4.135 1.626 1.00 0.00 C ATOM 147 C ASP A 12 8.345 -3.375 0.335 1.00 0.00 C ATOM 148 O ASP A 12 9.194 -2.655 -0.187 1.00 0.00 O ATOM 149 CB ASP A 12 9.214 -5.508 1.244 1.00 0.00 C ATOM 150 CG ASP A 12 10.741 -5.599 1.210 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.359 -4.612 0.754 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.256 -6.653 1.641 1.00 0.00 O ATOM 0 H ASP A 12 7.167 -5.225 2.616 1.00 0.00 H new ATOM 0 HA ASP A 12 9.392 -3.601 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.837 -6.246 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.827 -5.780 0.262 1.00 0.00 H new ATOM 157 N ILE A 13 7.123 -3.563 -0.144 1.00 0.00 N ATOM 158 CA ILE A 13 6.688 -2.904 -1.363 1.00 0.00 C ATOM 159 C ILE A 13 6.235 -1.480 -1.035 1.00 0.00 C ATOM 160 O ILE A 13 6.142 -0.634 -1.924 1.00 0.00 O ATOM 161 CB ILE A 13 5.621 -3.741 -2.073 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.263 -4.768 -3.007 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.620 -2.846 -2.806 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.659 -6.157 -2.793 1.00 0.00 C ATOM 0 H ILE A 13 6.421 -4.162 0.291 1.00 0.00 H new ATOM 0 HA ILE A 13 7.516 -2.821 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 13 5.064 -4.296 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.121 -4.461 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.338 -4.804 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.873 -3.466 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.128 -2.188 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.145 -2.246 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.133 -6.868 -3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.824 -6.471 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.588 -6.123 -2.994 1.00 0.00 H new ATOM 176 N LEU A 14 5.964 -1.259 0.242 1.00 0.00 N ATOM 177 CA LEU A 14 5.523 0.048 0.699 1.00 0.00 C ATOM 178 C LEU A 14 6.738 0.961 0.871 1.00 0.00 C ATOM 179 O LEU A 14 6.794 2.043 0.288 1.00 0.00 O ATOM 180 CB LEU A 14 4.669 -0.085 1.961 1.00 0.00 C ATOM 181 CG LEU A 14 3.178 0.212 1.798 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.950 1.670 1.396 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.529 -0.762 0.813 1.00 0.00 C ATOM 0 H LEU A 14 6.041 -1.963 0.976 1.00 0.00 H new ATOM 0 HA LEU A 14 4.878 0.514 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.777 -1.100 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.072 0.586 2.720 1.00 0.00 H new ATOM 0 HG LEU A 14 2.693 0.064 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.881 1.854 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.355 2.327 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.451 1.869 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.469 -0.528 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.012 -0.671 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.644 -1.782 1.181 1.00 0.00 H new ATOM 195 N ALA A 15 7.681 0.490 1.674 1.00 0.00 N ATOM 196 CA ALA A 15 8.893 1.251 1.930 1.00 0.00 C ATOM 197 C ALA A 15 9.607 1.526 0.605 1.00 0.00 C ATOM 198 O ALA A 15 10.231 2.574 0.438 1.00 0.00 O ATOM 199 CB ALA A 15 9.775 0.487 2.920 1.00 0.00 C ATOM 0 H ALA A 15 7.631 -0.408 2.155 1.00 0.00 H new ATOM 0 HA ALA A 15 8.654 2.214 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.684 1.057 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.233 0.343 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.038 -0.484 2.499 1.00 0.00 H new ATOM 205 N ASP A 16 9.492 0.569 -0.303 1.00 0.00 N ATOM 206 CA ASP A 16 10.119 0.695 -1.608 1.00 0.00 C ATOM 207 C ASP A 16 9.353 1.728 -2.438 1.00 0.00 C ATOM 208 O ASP A 16 9.947 2.449 -3.238 1.00 0.00 O ATOM 209 CB ASP A 16 10.089 -0.635 -2.365 1.00 0.00 C ATOM 210 CG ASP A 16 11.398 -1.425 -2.331 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.115 -1.296 -1.316 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.652 -2.143 -3.323 1.00 0.00 O ATOM 0 H ASP A 16 8.974 -0.298 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 16 11.154 1.000 -1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.296 -1.256 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.827 -0.439 -3.405 1.00 0.00 H new ATOM 217 N LEU A 17 8.047 1.766 -2.219 1.00 0.00 N ATOM 218 CA LEU A 17 7.195 2.699 -2.938 1.00 0.00 C ATOM 219 C LEU A 17 7.596 4.130 -2.577 1.00 0.00 C ATOM 220 O LEU A 17 7.891 4.937 -3.457 1.00 0.00 O ATOM 221 CB LEU A 17 5.721 2.388 -2.675 1.00 0.00 C ATOM 222 CG LEU A 17 4.856 2.139 -3.913 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.413 1.818 -3.519 1.00 0.00 C ATOM 224 CD2 LEU A 17 4.938 3.318 -4.884 1.00 0.00 C ATOM 0 H LEU A 17 7.558 1.166 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 17 7.333 2.591 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.665 1.508 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.289 3.218 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 17 5.248 1.265 -4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.820 1.645 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.396 0.924 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.993 2.656 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.315 3.116 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.587 4.223 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.971 3.456 -5.202 1.00 0.00 H new ATOM 236 N THR A 18 7.593 4.402 -1.280 1.00 0.00 N ATOM 237 CA THR A 18 7.953 5.723 -0.792 1.00 0.00 C ATOM 238 C THR A 18 9.450 5.973 -0.983 1.00 0.00 C ATOM 239 O THR A 18 9.851 7.042 -1.441 1.00 0.00 O ATOM 240 CB THR A 18 7.500 5.827 0.666 1.00 0.00 C ATOM 241 OG1 THR A 18 8.354 4.922 1.360 1.00 0.00 O ATOM 242 CG2 THR A 18 6.098 5.259 0.886 1.00 0.00 C ATOM 0 H THR A 18 7.347 3.731 -0.552 1.00 0.00 H new ATOM 0 HA THR A 18 7.451 6.506 -1.361 1.00 0.00 H new ATOM 0 HB THR A 18 7.521 6.871 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.130 4.927 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.826 5.358 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.383 5.808 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.084 4.206 0.605 1.00 0.00 H new ATOM 250 N GLY A 19 10.236 4.969 -0.622 1.00 0.00 N ATOM 251 CA GLY A 19 11.680 5.066 -0.748 1.00 0.00 C ATOM 252 C GLY A 19 12.336 5.289 0.617 1.00 0.00 C ATOM 253 O GLY A 19 13.541 5.519 0.699 1.00 0.00 O ATOM 0 H GLY A 19 9.900 4.084 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.071 4.154 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.936 5.888 -1.417 1.00 0.00 H new ATOM 257 N SER A 20 11.513 5.213 1.652 1.00 0.00 N ATOM 258 CA SER A 20 11.997 5.403 3.009 1.00 0.00 C ATOM 259 C SER A 20 11.538 4.244 3.896 1.00 0.00 C ATOM 260 O SER A 20 10.640 3.491 3.523 1.00 0.00 O ATOM 261 CB SER A 20 11.515 6.736 3.584 1.00 0.00 C ATOM 262 OG SER A 20 12.573 7.466 4.199 1.00 0.00 O ATOM 0 H SER A 20 10.514 5.022 1.578 1.00 0.00 H new ATOM 0 HA SER A 20 13.087 5.422 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.075 7.337 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.728 6.552 4.316 1.00 0.00 H new ATOM 0 HG SER A 20 12.225 8.311 4.552 1.00 0.00 H new ATOM 268 N ASP A 21 12.173 4.140 5.054 1.00 0.00 N ATOM 269 CA ASP A 21 11.841 3.086 5.997 1.00 0.00 C ATOM 270 C ASP A 21 10.879 3.637 7.052 1.00 0.00 C ATOM 271 O ASP A 21 10.767 3.082 8.145 1.00 0.00 O ATOM 272 CB ASP A 21 13.091 2.576 6.717 1.00 0.00 C ATOM 273 CG ASP A 21 14.318 3.481 6.599 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.456 4.367 7.469 1.00 0.00 O ATOM 275 OD2 ASP A 21 15.093 3.266 5.641 1.00 0.00 O ATOM 0 H ASP A 21 12.916 4.768 5.361 1.00 0.00 H new ATOM 0 HA ASP A 21 11.387 2.266 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.856 2.444 7.773 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.344 1.592 6.322 1.00 0.00 H new ATOM 280 N ASP A 22 10.210 4.722 6.689 1.00 0.00 N ATOM 281 CA ASP A 22 9.263 5.353 7.590 1.00 0.00 C ATOM 282 C ASP A 22 7.962 4.549 7.602 1.00 0.00 C ATOM 283 O ASP A 22 7.366 4.340 8.657 1.00 0.00 O ATOM 284 CB ASP A 22 8.934 6.777 7.136 1.00 0.00 C ATOM 285 CG ASP A 22 9.277 7.873 8.145 1.00 0.00 C ATOM 286 OD1 ASP A 22 9.925 7.531 9.158 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.884 9.030 7.882 1.00 0.00 O ATOM 0 H ASP A 22 10.306 5.180 5.782 1.00 0.00 H new ATOM 0 HA ASP A 22 9.714 5.386 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.468 6.979 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.869 6.833 6.909 1.00 0.00 H new ATOM 292 N VAL A 23 7.560 4.118 6.416 1.00 0.00 N ATOM 293 CA VAL A 23 6.339 3.340 6.275 1.00 0.00 C ATOM 294 C VAL A 23 6.595 1.909 6.750 1.00 0.00 C ATOM 295 O VAL A 23 5.661 1.193 7.108 1.00 0.00 O ATOM 296 CB VAL A 23 5.837 3.410 4.831 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.798 2.693 3.881 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.422 2.840 4.715 1.00 0.00 C ATOM 0 H VAL A 23 8.058 4.292 5.543 1.00 0.00 H new ATOM 0 HA VAL A 23 5.548 3.754 6.900 1.00 0.00 H new ATOM 0 HB VAL A 23 5.800 4.460 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.418 2.758 2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.780 3.164 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.882 1.646 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.089 2.902 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.422 1.798 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.746 3.414 5.348 1.00 0.00 H new ATOM 308 N LYS A 24 7.865 1.533 6.738 1.00 0.00 N ATOM 309 CA LYS A 24 8.256 0.199 7.164 1.00 0.00 C ATOM 310 C LYS A 24 7.833 -0.011 8.619 1.00 0.00 C ATOM 311 O LYS A 24 7.748 -1.145 9.086 1.00 0.00 O ATOM 312 CB LYS A 24 9.750 -0.026 6.918 1.00 0.00 C ATOM 313 CG LYS A 24 10.214 -1.346 7.536 1.00 0.00 C ATOM 314 CD LYS A 24 10.822 -1.120 8.922 1.00 0.00 C ATOM 315 CE LYS A 24 11.179 -2.450 9.588 1.00 0.00 C ATOM 316 NZ LYS A 24 12.574 -2.829 9.275 1.00 0.00 N ATOM 0 H LYS A 24 8.637 2.129 6.440 1.00 0.00 H new ATOM 0 HA LYS A 24 7.742 -0.557 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.949 -0.032 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.321 0.799 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.370 -2.032 7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.950 -1.817 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.715 -0.502 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.116 -0.574 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.052 -2.368 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.499 -3.229 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.799 -3.734 9.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.684 -2.927 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.220 -2.093 9.624 1.00 0.00 H new ATOM 330 N LYS A 25 7.578 1.100 9.295 1.00 0.00 N ATOM 331 CA LYS A 25 7.167 1.051 10.687 1.00 0.00 C ATOM 332 C LYS A 25 5.722 1.542 10.805 1.00 0.00 C ATOM 333 O LYS A 25 4.813 0.752 11.056 1.00 0.00 O ATOM 334 CB LYS A 25 8.152 1.825 11.565 1.00 0.00 C ATOM 335 CG LYS A 25 7.912 1.533 13.047 1.00 0.00 C ATOM 336 CD LYS A 25 6.966 2.565 13.663 1.00 0.00 C ATOM 337 CE LYS A 25 7.694 3.881 13.942 1.00 0.00 C ATOM 338 NZ LYS A 25 7.296 4.913 12.959 1.00 0.00 N ATOM 0 H LYS A 25 7.648 2.039 8.904 1.00 0.00 H new ATOM 0 HA LYS A 25 7.187 0.025 11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.173 1.554 11.298 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.047 2.894 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.490 0.534 13.161 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.862 1.541 13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.129 2.745 12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.549 2.173 14.590 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.464 4.224 14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.772 3.724 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.144 5.402 12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.800 4.462 12.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.664 5.602 13.415 1.00 0.00 H new ATOM 352 N ASN A 26 5.555 2.843 10.616 1.00 0.00 N ATOM 353 CA ASN A 26 4.237 3.448 10.698 1.00 0.00 C ATOM 354 C ASN A 26 3.237 2.587 9.924 1.00 0.00 C ATOM 355 O ASN A 26 3.583 1.991 8.905 1.00 0.00 O ATOM 356 CB ASN A 26 4.234 4.847 10.081 1.00 0.00 C ATOM 357 CG ASN A 26 3.081 5.687 10.632 1.00 0.00 C ATOM 358 OD1 ASN A 26 1.933 5.276 10.652 1.00 0.00 O ATOM 359 ND2 ASN A 26 3.449 6.885 11.079 1.00 0.00 N ATOM 0 H ASN A 26 6.311 3.495 10.406 1.00 0.00 H new ATOM 0 HA ASN A 26 3.963 3.518 11.751 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.182 5.343 10.290 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.147 4.770 8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.752 7.521 11.468 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.428 7.168 11.033 1.00 0.00 H new ATOM 366 N LEU A 27 2.015 2.550 10.437 1.00 0.00 N ATOM 367 CA LEU A 27 0.962 1.771 9.807 1.00 0.00 C ATOM 368 C LEU A 27 -0.145 2.713 9.330 1.00 0.00 C ATOM 369 O LEU A 27 -1.060 2.294 8.623 1.00 0.00 O ATOM 370 CB LEU A 27 0.472 0.671 10.749 1.00 0.00 C ATOM 371 CG LEU A 27 1.547 -0.261 11.311 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.499 -0.295 12.840 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.433 -1.660 10.702 1.00 0.00 C ATOM 0 H LEU A 27 1.731 3.047 11.281 1.00 0.00 H new ATOM 0 HA LEU A 27 1.344 1.255 8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.046 1.141 11.585 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.263 0.066 10.218 1.00 0.00 H new ATOM 0 HG LEU A 27 2.523 0.134 11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.273 -0.965 13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.667 0.708 13.232 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.522 -0.653 13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.209 -2.302 11.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.453 -2.078 10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.556 -1.597 9.621 1.00 0.00 H new ATOM 385 N ASP A 28 -0.027 3.968 9.736 1.00 0.00 N ATOM 386 CA ASP A 28 -1.007 4.973 9.360 1.00 0.00 C ATOM 387 C ASP A 28 -0.284 6.203 8.808 1.00 0.00 C ATOM 388 O ASP A 28 -0.739 7.331 8.993 1.00 0.00 O ATOM 389 CB ASP A 28 -1.835 5.414 10.568 1.00 0.00 C ATOM 390 CG ASP A 28 -3.176 4.693 10.731 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.144 3.535 11.202 1.00 0.00 O ATOM 392 OD2 ASP A 28 -4.201 5.316 10.381 1.00 0.00 O ATOM 0 H ASP A 28 0.733 4.313 10.322 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.667 4.536 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.244 5.259 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.022 6.485 10.490 1.00 0.00 H new ATOM 397 N LEU A 29 0.832 5.945 8.141 1.00 0.00 N ATOM 398 CA LEU A 29 1.622 7.017 7.560 1.00 0.00 C ATOM 399 C LEU A 29 0.997 7.443 6.231 1.00 0.00 C ATOM 400 O LEU A 29 1.280 6.851 5.190 1.00 0.00 O ATOM 401 CB LEU A 29 3.089 6.600 7.445 1.00 0.00 C ATOM 402 CG LEU A 29 3.973 7.487 6.566 1.00 0.00 C ATOM 403 CD1 LEU A 29 5.035 8.202 7.404 1.00 0.00 C ATOM 404 CD2 LEU A 29 4.590 6.685 5.420 1.00 0.00 C ATOM 0 H LEU A 29 1.208 5.009 7.990 1.00 0.00 H new ATOM 0 HA LEU A 29 1.614 7.892 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.518 6.573 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.127 5.583 7.055 1.00 0.00 H new ATOM 0 HG LEU A 29 3.345 8.256 6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.650 8.826 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.548 8.826 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.664 7.464 7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.213 7.340 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.200 5.879 5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.797 6.263 4.803 1.00 0.00 H new ATOM 416 N ASN A 30 0.160 8.468 6.308 1.00 0.00 N ATOM 417 CA ASN A 30 -0.508 8.980 5.123 1.00 0.00 C ATOM 418 C ASN A 30 0.475 8.978 3.950 1.00 0.00 C ATOM 419 O ASN A 30 1.359 9.830 3.874 1.00 0.00 O ATOM 420 CB ASN A 30 -0.985 10.417 5.338 1.00 0.00 C ATOM 421 CG ASN A 30 -1.684 10.566 6.692 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.187 11.199 7.609 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.860 9.950 6.764 1.00 0.00 N ATOM 0 H ASN A 30 -0.071 8.958 7.173 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.368 8.342 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.135 11.098 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.669 10.700 4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.405 9.990 7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.217 9.437 5.958 1.00 0.00 H new ATOM 430 N LEU A 31 0.285 8.012 3.063 1.00 0.00 N ATOM 431 CA LEU A 31 1.144 7.889 1.897 1.00 0.00 C ATOM 432 C LEU A 31 0.916 9.086 0.972 1.00 0.00 C ATOM 433 O LEU A 31 1.662 9.288 0.016 1.00 0.00 O ATOM 434 CB LEU A 31 0.929 6.536 1.215 1.00 0.00 C ATOM 435 CG LEU A 31 1.040 5.305 2.117 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.057 4.216 1.683 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.480 4.789 2.167 1.00 0.00 C ATOM 0 H LEU A 31 -0.450 7.308 3.128 1.00 0.00 H new ATOM 0 HA LEU A 31 2.193 7.909 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.059 6.537 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.656 6.438 0.409 1.00 0.00 H new ATOM 0 HG LEU A 31 0.768 5.600 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.157 3.353 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.961 4.601 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.274 3.918 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.531 3.914 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.804 4.516 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.133 5.569 2.559 1.00 0.00 H new ATOM 449 N PHE A 32 -0.119 9.850 1.291 1.00 0.00 N ATOM 450 CA PHE A 32 -0.454 11.022 0.500 1.00 0.00 C ATOM 451 C PHE A 32 -0.114 12.309 1.256 1.00 0.00 C ATOM 452 O PHE A 32 0.539 13.198 0.712 1.00 0.00 O ATOM 453 CB PHE A 32 -1.964 10.976 0.250 1.00 0.00 C ATOM 454 CG PHE A 32 -2.363 10.178 -0.994 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.419 8.820 -0.941 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.664 10.827 -2.150 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.790 8.080 -2.094 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.035 10.086 -3.303 1.00 0.00 C ATOM 459 CZ PHE A 32 -3.090 8.728 -3.251 1.00 0.00 C ATOM 0 H PHE A 32 -0.736 9.680 2.085 1.00 0.00 H new ATOM 0 HA PHE A 32 0.113 11.018 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.453 10.541 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.337 11.995 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.181 8.305 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.621 11.905 -2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.834 7.002 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.274 10.601 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.372 8.165 -4.128 1.00 0.00 H new ATOM 469 N GLU A 33 -0.573 12.367 2.497 1.00 0.00 N ATOM 470 CA GLU A 33 -0.326 13.529 3.333 1.00 0.00 C ATOM 471 C GLU A 33 1.159 13.620 3.690 1.00 0.00 C ATOM 472 O GLU A 33 1.618 14.642 4.201 1.00 0.00 O ATOM 473 CB GLU A 33 -1.191 13.493 4.595 1.00 0.00 C ATOM 474 CG GLU A 33 -1.926 14.820 4.795 1.00 0.00 C ATOM 475 CD GLU A 33 -0.935 15.970 4.991 1.00 0.00 C ATOM 476 OE1 GLU A 33 -0.232 16.287 4.007 1.00 0.00 O ATOM 477 OE2 GLU A 33 -0.905 16.506 6.119 1.00 0.00 O ATOM 0 H GLU A 33 -1.115 11.628 2.944 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.601 14.421 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.914 12.680 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.565 13.285 5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.559 15.023 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.583 14.749 5.662 1.00 0.00 H new ATOM 484 N THR A 34 1.871 12.539 3.407 1.00 0.00 N ATOM 485 CA THR A 34 3.295 12.484 3.690 1.00 0.00 C ATOM 486 C THR A 34 4.102 12.867 2.449 1.00 0.00 C ATOM 487 O THR A 34 5.296 13.147 2.542 1.00 0.00 O ATOM 488 CB THR A 34 3.618 11.085 4.217 1.00 0.00 C ATOM 489 OG1 THR A 34 2.813 10.960 5.387 1.00 0.00 O ATOM 490 CG2 THR A 34 5.052 10.972 4.738 1.00 0.00 C ATOM 0 H THR A 34 1.488 11.694 2.984 1.00 0.00 H new ATOM 0 HA THR A 34 3.574 13.208 4.455 1.00 0.00 H new ATOM 0 HB THR A 34 3.461 10.354 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.069 10.347 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.229 9.959 5.100 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.751 11.196 3.932 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.200 11.680 5.554 1.00 0.00 H new ATOM 498 N GLY A 35 3.418 12.867 1.314 1.00 0.00 N ATOM 499 CA GLY A 35 4.055 13.210 0.055 1.00 0.00 C ATOM 500 C GLY A 35 4.958 12.074 -0.431 1.00 0.00 C ATOM 501 O GLY A 35 5.756 12.259 -1.349 1.00 0.00 O ATOM 0 H GLY A 35 2.428 12.634 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.294 13.421 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.643 14.120 0.177 1.00 0.00 H new ATOM 505 N LEU A 36 4.800 10.923 0.206 1.00 0.00 N ATOM 506 CA LEU A 36 5.590 9.757 -0.150 1.00 0.00 C ATOM 507 C LEU A 36 5.001 9.110 -1.405 1.00 0.00 C ATOM 508 O LEU A 36 5.725 8.502 -2.192 1.00 0.00 O ATOM 509 CB LEU A 36 5.701 8.801 1.041 1.00 0.00 C ATOM 510 CG LEU A 36 6.862 9.060 2.003 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.928 7.979 3.084 1.00 0.00 C ATOM 512 CD2 LEU A 36 8.183 9.194 1.244 1.00 0.00 C ATOM 0 H LEU A 36 4.137 10.773 0.966 1.00 0.00 H new ATOM 0 HA LEU A 36 6.612 10.049 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.770 8.847 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.792 7.784 0.658 1.00 0.00 H new ATOM 0 HG LEU A 36 6.684 10.010 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.762 8.186 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.998 7.975 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.072 7.005 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.992 9.378 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.383 8.273 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.117 10.027 0.544 1.00 0.00 H new ATOM 524 N LEU A 37 3.693 9.265 -1.553 1.00 0.00 N ATOM 525 CA LEU A 37 3.000 8.704 -2.699 1.00 0.00 C ATOM 526 C LEU A 37 2.281 9.824 -3.454 1.00 0.00 C ATOM 527 O LEU A 37 2.088 10.914 -2.918 1.00 0.00 O ATOM 528 CB LEU A 37 2.074 7.567 -2.261 1.00 0.00 C ATOM 529 CG LEU A 37 1.853 6.450 -3.284 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.088 5.075 -2.655 1.00 0.00 C ATOM 531 CD2 LEU A 37 0.467 6.558 -3.923 1.00 0.00 C ATOM 0 H LEU A 37 3.096 9.771 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 37 3.712 8.257 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.480 7.124 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.105 7.993 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 37 2.586 6.568 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.924 4.300 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.112 5.014 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.395 4.931 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.336 5.753 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.297 6.480 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.374 7.519 -4.429 1.00 0.00 H new ATOM 543 N ASP A 38 1.905 9.517 -4.687 1.00 0.00 N ATOM 544 CA ASP A 38 1.213 10.485 -5.521 1.00 0.00 C ATOM 545 C ASP A 38 -0.012 9.822 -6.154 1.00 0.00 C ATOM 546 O ASP A 38 -1.137 10.285 -5.971 1.00 0.00 O ATOM 547 CB ASP A 38 2.116 10.985 -6.649 1.00 0.00 C ATOM 548 CG ASP A 38 2.459 12.476 -6.591 1.00 0.00 C ATOM 549 OD1 ASP A 38 2.761 12.945 -5.472 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.412 13.111 -7.665 1.00 0.00 O ATOM 0 H ASP A 38 2.066 8.612 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 38 0.923 11.327 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.044 10.413 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.631 10.776 -7.602 1.00 0.00 H new ATOM 555 N SER A 39 0.248 8.749 -6.887 1.00 0.00 N ATOM 556 CA SER A 39 -0.819 8.018 -7.548 1.00 0.00 C ATOM 557 C SER A 39 -0.228 6.954 -8.475 1.00 0.00 C ATOM 558 O SER A 39 -0.780 5.862 -8.605 1.00 0.00 O ATOM 559 CB SER A 39 -1.728 8.963 -8.337 1.00 0.00 C ATOM 560 OG SER A 39 -2.494 8.271 -9.319 1.00 0.00 O ATOM 0 H SER A 39 1.182 8.369 -7.037 1.00 0.00 H new ATOM 0 HA SER A 39 -1.423 7.530 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.400 9.478 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.122 9.728 -8.823 1.00 0.00 H new ATOM 0 HG SER A 39 -3.062 8.909 -9.800 1.00 0.00 H new ATOM 566 N MET A 40 0.887 7.310 -9.096 1.00 0.00 N ATOM 567 CA MET A 40 1.559 6.398 -10.008 1.00 0.00 C ATOM 568 C MET A 40 2.163 5.213 -9.251 1.00 0.00 C ATOM 569 O MET A 40 2.220 4.102 -9.775 1.00 0.00 O ATOM 570 CB MET A 40 2.666 7.146 -10.753 1.00 0.00 C ATOM 571 CG MET A 40 2.113 7.847 -11.996 1.00 0.00 C ATOM 572 SD MET A 40 1.493 6.637 -13.153 1.00 0.00 S ATOM 573 CE MET A 40 3.031 6.039 -13.831 1.00 0.00 C ATOM 0 H MET A 40 1.342 8.216 -8.986 1.00 0.00 H new ATOM 0 HA MET A 40 0.825 6.016 -10.718 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.123 7.880 -10.090 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.450 6.447 -11.044 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.315 8.533 -11.712 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.895 8.444 -12.465 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.006 6.120 -14.918 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.856 6.635 -13.442 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.172 4.996 -13.548 1.00 0.00 H new ATOM 583 N GLY A 41 2.600 5.492 -8.032 1.00 0.00 N ATOM 584 CA GLY A 41 3.198 4.462 -7.198 1.00 0.00 C ATOM 585 C GLY A 41 2.249 3.275 -7.026 1.00 0.00 C ATOM 586 O GLY A 41 2.621 2.134 -7.294 1.00 0.00 O ATOM 0 H GLY A 41 2.552 6.415 -7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.132 4.123 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.446 4.878 -6.222 1.00 0.00 H new ATOM 590 N THR A 42 1.039 3.585 -6.581 1.00 0.00 N ATOM 591 CA THR A 42 0.034 2.558 -6.370 1.00 0.00 C ATOM 592 C THR A 42 -0.040 1.626 -7.582 1.00 0.00 C ATOM 593 O THR A 42 -0.024 0.406 -7.434 1.00 0.00 O ATOM 594 CB THR A 42 -1.293 3.253 -6.056 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.593 2.842 -4.726 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.453 2.701 -6.888 1.00 0.00 C ATOM 0 H THR A 42 0.733 4.533 -6.361 1.00 0.00 H new ATOM 0 HA THR A 42 0.292 1.920 -5.525 1.00 0.00 H new ATOM 0 HB THR A 42 -1.194 4.324 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.438 3.248 -4.441 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.371 3.228 -6.627 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.241 2.844 -7.948 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.574 1.637 -6.683 1.00 0.00 H new ATOM 604 N VAL A 43 -0.118 2.239 -8.755 1.00 0.00 N ATOM 605 CA VAL A 43 -0.194 1.481 -9.992 1.00 0.00 C ATOM 606 C VAL A 43 0.810 0.326 -9.939 1.00 0.00 C ATOM 607 O VAL A 43 0.455 -0.821 -10.203 1.00 0.00 O ATOM 608 CB VAL A 43 0.024 2.409 -11.188 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.111 1.644 -12.507 1.00 0.00 C ATOM 610 CG2 VAL A 43 -0.938 3.598 -11.143 1.00 0.00 C ATOM 0 H VAL A 43 -0.130 3.252 -8.874 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.185 1.045 -10.113 1.00 0.00 H new ATOM 0 HB VAL A 43 1.040 2.799 -11.129 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.048 2.327 -13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.632 0.847 -12.543 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.110 1.213 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.761 4.242 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.966 3.236 -11.165 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.773 4.165 -10.227 1.00 0.00 H new ATOM 620 N GLN A 44 2.042 0.671 -9.597 1.00 0.00 N ATOM 621 CA GLN A 44 3.099 -0.321 -9.507 1.00 0.00 C ATOM 622 C GLN A 44 2.808 -1.306 -8.372 1.00 0.00 C ATOM 623 O GLN A 44 2.818 -2.518 -8.579 1.00 0.00 O ATOM 624 CB GLN A 44 4.463 0.345 -9.318 1.00 0.00 C ATOM 625 CG GLN A 44 5.598 -0.657 -9.536 1.00 0.00 C ATOM 626 CD GLN A 44 6.812 0.021 -10.173 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.883 0.226 -11.374 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.762 0.356 -9.305 1.00 0.00 N ATOM 0 H GLN A 44 2.332 1.624 -9.379 1.00 0.00 H new ATOM 0 HA GLN A 44 3.130 -0.876 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.566 1.175 -10.017 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.531 0.764 -8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.884 -1.102 -8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.253 -1.469 -10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.639 0.156 -8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.613 0.813 -9.632 1.00 0.00 H new ATOM 637 N LEU A 45 2.553 -0.747 -7.198 1.00 0.00 N ATOM 638 CA LEU A 45 2.260 -1.560 -6.030 1.00 0.00 C ATOM 639 C LEU A 45 1.257 -2.650 -6.412 1.00 0.00 C ATOM 640 O LEU A 45 1.355 -3.781 -5.940 1.00 0.00 O ATOM 641 CB LEU A 45 1.797 -0.680 -4.867 1.00 0.00 C ATOM 642 CG LEU A 45 0.532 -1.139 -4.141 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.721 -2.531 -3.534 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.099 -0.112 -3.092 1.00 0.00 C ATOM 0 H LEU A 45 2.543 0.259 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 45 3.162 -2.063 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.607 -0.618 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.629 0.329 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.273 -1.213 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.194 -2.833 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.948 -3.245 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.544 -2.508 -2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.803 -0.463 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.895 0.017 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.104 0.842 -3.579 1.00 0.00 H new ATOM 656 N LEU A 46 0.315 -2.271 -7.264 1.00 0.00 N ATOM 657 CA LEU A 46 -0.705 -3.202 -7.715 1.00 0.00 C ATOM 658 C LEU A 46 -0.042 -4.339 -8.495 1.00 0.00 C ATOM 659 O LEU A 46 -0.406 -5.503 -8.333 1.00 0.00 O ATOM 660 CB LEU A 46 -1.791 -2.467 -8.502 1.00 0.00 C ATOM 661 CG LEU A 46 -3.150 -2.337 -7.810 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.089 -1.434 -8.612 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.765 -3.714 -7.547 1.00 0.00 C ATOM 0 H LEU A 46 0.237 -1.332 -7.654 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.213 -3.654 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.428 -1.466 -8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.937 -2.983 -9.451 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.996 -1.862 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.048 -1.358 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.648 -0.442 -8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.241 -1.858 -9.605 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.730 -3.593 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.903 -4.237 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.100 -4.293 -6.906 1.00 0.00 H new ATOM 675 N LEU A 47 0.919 -3.963 -9.325 1.00 0.00 N ATOM 676 CA LEU A 47 1.636 -4.936 -10.132 1.00 0.00 C ATOM 677 C LEU A 47 2.174 -6.045 -9.226 1.00 0.00 C ATOM 678 O LEU A 47 2.091 -7.224 -9.566 1.00 0.00 O ATOM 679 CB LEU A 47 2.717 -4.246 -10.968 1.00 0.00 C ATOM 680 CG LEU A 47 2.946 -4.818 -12.369 1.00 0.00 C ATOM 681 CD1 LEU A 47 3.637 -6.181 -12.299 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.636 -4.880 -13.157 1.00 0.00 C ATOM 0 H LEU A 47 1.218 -2.997 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 47 0.963 -5.407 -10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.456 -3.192 -11.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.658 -4.292 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 47 3.614 -4.145 -12.907 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.788 -6.565 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.602 -6.075 -11.803 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.014 -6.876 -11.736 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.827 -5.290 -14.149 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.925 -5.518 -12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.221 -3.877 -13.253 1.00 0.00 H new ATOM 694 N GLU A 48 2.714 -5.627 -8.089 1.00 0.00 N ATOM 695 CA GLU A 48 3.266 -6.571 -7.132 1.00 0.00 C ATOM 696 C GLU A 48 2.145 -7.195 -6.297 1.00 0.00 C ATOM 697 O GLU A 48 2.298 -8.297 -5.772 1.00 0.00 O ATOM 698 CB GLU A 48 4.307 -5.897 -6.237 1.00 0.00 C ATOM 699 CG GLU A 48 5.698 -6.490 -6.473 1.00 0.00 C ATOM 700 CD GLU A 48 6.282 -6.004 -7.801 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.986 -6.658 -8.824 1.00 0.00 O ATOM 702 OE2 GLU A 48 7.013 -4.991 -7.763 1.00 0.00 O ATOM 0 H GLU A 48 2.781 -4.648 -7.810 1.00 0.00 H new ATOM 0 HA GLU A 48 3.769 -7.366 -7.682 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.325 -4.826 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.027 -6.021 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.361 -6.208 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.638 -7.578 -6.474 1.00 0.00 H new ATOM 709 N LEU A 49 1.045 -6.463 -6.200 1.00 0.00 N ATOM 710 CA LEU A 49 -0.100 -6.932 -5.437 1.00 0.00 C ATOM 711 C LEU A 49 -0.945 -7.859 -6.312 1.00 0.00 C ATOM 712 O LEU A 49 -1.889 -8.484 -5.830 1.00 0.00 O ATOM 713 CB LEU A 49 -0.880 -5.748 -4.861 1.00 0.00 C ATOM 714 CG LEU A 49 -1.402 -5.921 -3.434 1.00 0.00 C ATOM 715 CD1 LEU A 49 -0.248 -6.079 -2.442 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.335 -4.770 -3.048 1.00 0.00 C ATOM 0 H LEU A 49 0.922 -5.549 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 49 0.227 -7.517 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.238 -4.868 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.728 -5.544 -5.515 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.988 -6.839 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.648 -6.200 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.342 -6.957 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.385 -5.193 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.692 -4.917 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.793 -3.826 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.185 -4.746 -3.730 1.00 0.00 H new ATOM 728 N GLN A 50 -0.577 -7.919 -7.584 1.00 0.00 N ATOM 729 CA GLN A 50 -1.290 -8.758 -8.531 1.00 0.00 C ATOM 730 C GLN A 50 -0.393 -9.901 -9.008 1.00 0.00 C ATOM 731 O GLN A 50 -0.716 -10.586 -9.976 1.00 0.00 O ATOM 732 CB GLN A 50 -1.806 -7.935 -9.713 1.00 0.00 C ATOM 733 CG GLN A 50 -2.805 -8.740 -10.547 1.00 0.00 C ATOM 734 CD GLN A 50 -2.455 -8.677 -12.035 1.00 0.00 C ATOM 735 OE1 GLN A 50 -1.421 -9.152 -12.476 1.00 0.00 O ATOM 736 NE2 GLN A 50 -3.371 -8.066 -12.781 1.00 0.00 N ATOM 0 H GLN A 50 0.206 -7.400 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.155 -9.188 -8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.282 -7.025 -9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.969 -7.627 -10.339 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.808 -9.778 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.811 -8.352 -10.390 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.215 -7.691 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.230 -7.973 -13.787 1.00 0.00 H new ATOM 745 N SER A 51 0.719 -10.071 -8.306 1.00 0.00 N ATOM 746 CA SER A 51 1.666 -11.119 -8.645 1.00 0.00 C ATOM 747 C SER A 51 1.901 -12.024 -7.436 1.00 0.00 C ATOM 748 O SER A 51 1.663 -13.229 -7.501 1.00 0.00 O ATOM 749 CB SER A 51 2.991 -10.527 -9.132 1.00 0.00 C ATOM 750 OG SER A 51 3.588 -9.679 -8.154 1.00 0.00 O ATOM 0 H SER A 51 0.985 -9.500 -7.504 1.00 0.00 H new ATOM 0 HA SER A 51 1.244 -11.712 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.679 -11.335 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.820 -9.961 -10.048 1.00 0.00 H new ATOM 0 HG SER A 51 4.432 -9.322 -8.502 1.00 0.00 H new ATOM 756 N GLN A 52 2.367 -11.408 -6.358 1.00 0.00 N ATOM 757 CA GLN A 52 2.637 -12.144 -5.134 1.00 0.00 C ATOM 758 C GLN A 52 1.334 -12.422 -4.383 1.00 0.00 C ATOM 759 O GLN A 52 1.268 -13.339 -3.566 1.00 0.00 O ATOM 760 CB GLN A 52 3.631 -11.388 -4.249 1.00 0.00 C ATOM 761 CG GLN A 52 4.990 -11.258 -4.938 1.00 0.00 C ATOM 762 CD GLN A 52 5.942 -12.368 -4.490 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.803 -13.525 -4.854 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.914 -11.954 -3.682 1.00 0.00 N ATOM 0 H GLN A 52 2.564 -10.409 -6.307 1.00 0.00 H new ATOM 0 HA GLN A 52 3.090 -13.099 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.239 -10.397 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.749 -11.911 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.859 -11.301 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.426 -10.286 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.972 -10.971 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.601 -12.620 -3.328 1.00 0.00 H new ATOM 773 N PHE A 53 0.329 -11.611 -4.685 1.00 0.00 N ATOM 774 CA PHE A 53 -0.968 -11.758 -4.048 1.00 0.00 C ATOM 775 C PHE A 53 -2.062 -12.019 -5.085 1.00 0.00 C ATOM 776 O PHE A 53 -3.002 -12.768 -4.826 1.00 0.00 O ATOM 777 CB PHE A 53 -1.266 -10.440 -3.330 1.00 0.00 C ATOM 778 CG PHE A 53 -0.066 -9.854 -2.582 1.00 0.00 C ATOM 779 CD1 PHE A 53 0.980 -9.332 -3.276 1.00 0.00 C ATOM 780 CD2 PHE A 53 -0.045 -9.857 -1.222 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.092 -8.788 -2.583 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.067 -9.313 -0.527 1.00 0.00 C ATOM 783 CZ PHE A 53 2.114 -8.791 -1.223 1.00 0.00 C ATOM 0 H PHE A 53 0.388 -10.851 -5.362 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.950 -12.602 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.617 -9.711 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.080 -10.599 -2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.964 -9.331 -4.356 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.875 -10.274 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.921 -8.371 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.082 -9.313 0.553 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.962 -8.379 -0.696 1.00 0.00 H new ATOM 793 N GLY A 54 -1.902 -11.385 -6.238 1.00 0.00 N ATOM 794 CA GLY A 54 -2.865 -11.538 -7.315 1.00 0.00 C ATOM 795 C GLY A 54 -4.171 -10.812 -6.991 1.00 0.00 C ATOM 796 O GLY A 54 -5.255 -11.354 -7.201 1.00 0.00 O ATOM 0 H GLY A 54 -1.120 -10.765 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.446 -11.144 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.065 -12.597 -7.481 1.00 0.00 H new ATOM 800 N VAL A 55 -4.026 -9.597 -6.484 1.00 0.00 N ATOM 801 CA VAL A 55 -5.182 -8.791 -6.129 1.00 0.00 C ATOM 802 C VAL A 55 -5.801 -8.206 -7.400 1.00 0.00 C ATOM 803 O VAL A 55 -5.163 -8.181 -8.452 1.00 0.00 O ATOM 804 CB VAL A 55 -4.780 -7.719 -5.113 1.00 0.00 C ATOM 805 CG1 VAL A 55 -4.199 -6.489 -5.813 1.00 0.00 C ATOM 806 CG2 VAL A 55 -5.964 -7.335 -4.224 1.00 0.00 C ATOM 0 H VAL A 55 -3.125 -9.151 -6.310 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.943 -9.406 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.003 -8.139 -4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.922 -5.743 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.316 -6.778 -6.383 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.945 -6.068 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.651 -6.572 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.772 -6.944 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.314 -8.215 -3.684 1.00 0.00 H new ATOM 816 N ASP A 56 -7.037 -7.751 -7.263 1.00 0.00 N ATOM 817 CA ASP A 56 -7.750 -7.168 -8.386 1.00 0.00 C ATOM 818 C ASP A 56 -8.296 -5.797 -7.983 1.00 0.00 C ATOM 819 O ASP A 56 -9.491 -5.537 -8.116 1.00 0.00 O ATOM 820 CB ASP A 56 -8.932 -8.045 -8.803 1.00 0.00 C ATOM 821 CG ASP A 56 -8.641 -9.026 -9.939 1.00 0.00 C ATOM 822 OD1 ASP A 56 -7.995 -10.056 -9.648 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.071 -8.725 -11.075 1.00 0.00 O ATOM 0 H ASP A 56 -7.564 -7.774 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.053 -7.082 -9.220 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.271 -8.609 -7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.756 -7.398 -9.104 1.00 0.00 H new ATOM 828 N ALA A 57 -7.396 -4.955 -7.498 1.00 0.00 N ATOM 829 CA ALA A 57 -7.772 -3.617 -7.075 1.00 0.00 C ATOM 830 C ALA A 57 -8.046 -2.755 -8.308 1.00 0.00 C ATOM 831 O ALA A 57 -7.147 -2.509 -9.110 1.00 0.00 O ATOM 832 CB ALA A 57 -6.671 -3.033 -6.187 1.00 0.00 C ATOM 0 H ALA A 57 -6.406 -5.174 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.687 -3.645 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.954 -2.029 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.537 -3.666 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.737 -2.987 -6.748 1.00 0.00 H new ATOM 838 N PRO A 58 -9.325 -2.307 -8.423 1.00 0.00 N ATOM 839 CA PRO A 58 -9.729 -1.477 -9.545 1.00 0.00 C ATOM 840 C PRO A 58 -9.207 -0.048 -9.386 1.00 0.00 C ATOM 841 O PRO A 58 -9.544 0.636 -8.421 1.00 0.00 O ATOM 842 CB PRO A 58 -11.247 -1.555 -9.567 1.00 0.00 C ATOM 843 CG PRO A 58 -11.658 -2.044 -8.187 1.00 0.00 C ATOM 844 CD PRO A 58 -10.417 -2.578 -7.492 1.00 0.00 C ATOM 0 HA PRO A 58 -9.312 -1.820 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.685 -0.581 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.592 -2.239 -10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.099 -1.231 -7.610 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.415 -2.824 -8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.254 -2.081 -6.535 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.506 -3.645 -7.286 1.00 0.00 H new ATOM 852 N VAL A 59 -8.392 0.361 -10.348 1.00 0.00 N ATOM 853 CA VAL A 59 -7.820 1.696 -10.327 1.00 0.00 C ATOM 854 C VAL A 59 -8.846 2.695 -10.865 1.00 0.00 C ATOM 855 O VAL A 59 -8.547 3.879 -11.013 1.00 0.00 O ATOM 856 CB VAL A 59 -6.503 1.713 -11.107 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.662 2.936 -10.734 1.00 0.00 C ATOM 858 CG2 VAL A 59 -5.719 0.419 -10.886 1.00 0.00 C ATOM 0 H VAL A 59 -8.115 -0.209 -11.147 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.582 1.993 -9.306 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.742 1.782 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.732 2.925 -11.302 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.218 3.844 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.437 2.911 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.788 0.457 -11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.495 0.306 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.314 -0.429 -11.224 1.00 0.00 H new ATOM 868 N SER A 60 -10.035 2.181 -11.141 1.00 0.00 N ATOM 869 CA SER A 60 -11.108 3.014 -11.659 1.00 0.00 C ATOM 870 C SER A 60 -11.621 3.949 -10.564 1.00 0.00 C ATOM 871 O SER A 60 -12.808 3.941 -10.242 1.00 0.00 O ATOM 872 CB SER A 60 -12.253 2.159 -12.206 1.00 0.00 C ATOM 873 OG SER A 60 -12.172 1.998 -13.620 1.00 0.00 O ATOM 0 H SER A 60 -10.280 1.199 -11.016 1.00 0.00 H new ATOM 0 HA SER A 60 -10.711 3.611 -12.480 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.234 1.180 -11.728 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.206 2.621 -11.948 1.00 0.00 H new ATOM 0 HG SER A 60 -12.919 1.445 -13.930 1.00 0.00 H new ATOM 879 N GLU A 61 -10.701 4.731 -10.019 1.00 0.00 N ATOM 880 CA GLU A 61 -11.045 5.670 -8.965 1.00 0.00 C ATOM 881 C GLU A 61 -11.550 4.921 -7.731 1.00 0.00 C ATOM 882 O GLU A 61 -12.755 4.859 -7.488 1.00 0.00 O ATOM 883 CB GLU A 61 -12.081 6.686 -9.453 1.00 0.00 C ATOM 884 CG GLU A 61 -12.457 7.664 -8.338 1.00 0.00 C ATOM 885 CD GLU A 61 -13.966 7.916 -8.315 1.00 0.00 C ATOM 886 OE1 GLU A 61 -14.410 8.770 -9.113 1.00 0.00 O ATOM 887 OE2 GLU A 61 -14.641 7.249 -7.502 1.00 0.00 O ATOM 0 H GLU A 61 -9.717 4.734 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.146 6.221 -8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.682 7.236 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.973 6.164 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.137 7.264 -7.376 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.929 8.607 -8.483 1.00 0.00 H new ATOM 894 N PHE A 62 -10.605 4.372 -6.983 1.00 0.00 N ATOM 895 CA PHE A 62 -10.940 3.629 -5.781 1.00 0.00 C ATOM 896 C PHE A 62 -10.916 4.539 -4.550 1.00 0.00 C ATOM 897 O PHE A 62 -10.818 5.758 -4.678 1.00 0.00 O ATOM 898 CB PHE A 62 -9.876 2.541 -5.616 1.00 0.00 C ATOM 899 CG PHE A 62 -8.440 3.050 -5.751 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.980 4.019 -4.915 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.623 2.533 -6.707 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.648 4.491 -5.040 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.289 3.005 -6.832 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.829 3.975 -5.996 1.00 0.00 C ATOM 0 H PHE A 62 -9.607 4.427 -7.186 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.942 3.209 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.995 2.076 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.047 1.764 -6.361 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.629 4.429 -4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.988 1.764 -7.371 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.284 5.261 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.640 2.594 -7.591 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.815 4.335 -6.091 1.00 0.00 H new ATOM 914 N ASP A 63 -11.009 3.910 -3.388 1.00 0.00 N ATOM 915 CA ASP A 63 -11.000 4.648 -2.136 1.00 0.00 C ATOM 916 C ASP A 63 -9.553 4.927 -1.723 1.00 0.00 C ATOM 917 O ASP A 63 -9.003 4.237 -0.867 1.00 0.00 O ATOM 918 CB ASP A 63 -11.662 3.842 -1.017 1.00 0.00 C ATOM 919 CG ASP A 63 -12.275 4.679 0.108 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.476 5.890 -0.131 1.00 0.00 O ATOM 921 OD2 ASP A 63 -12.528 4.091 1.181 1.00 0.00 O ATOM 0 H ASP A 63 -11.091 2.898 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.551 5.576 -2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.443 3.218 -1.452 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.920 3.170 -0.586 1.00 0.00 H new ATOM 926 N ARG A 64 -8.978 5.942 -2.354 1.00 0.00 N ATOM 927 CA ARG A 64 -7.605 6.321 -2.064 1.00 0.00 C ATOM 928 C ARG A 64 -7.373 6.359 -0.552 1.00 0.00 C ATOM 929 O ARG A 64 -6.245 6.199 -0.089 1.00 0.00 O ATOM 930 CB ARG A 64 -7.276 7.692 -2.657 1.00 0.00 C ATOM 931 CG ARG A 64 -8.399 8.694 -2.380 1.00 0.00 C ATOM 932 CD ARG A 64 -7.993 9.681 -1.283 1.00 0.00 C ATOM 933 NE ARG A 64 -9.189 10.113 -0.526 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.072 11.019 -0.968 1.00 0.00 C ATOM 935 NH1 ARG A 64 -9.899 11.594 -2.166 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.128 11.350 -0.212 1.00 0.00 N ATOM 0 H ARG A 64 -9.438 6.512 -3.064 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.952 5.575 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.342 8.061 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.123 7.600 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.640 9.238 -3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.301 8.161 -2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.275 9.214 -0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.499 10.547 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.352 9.695 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.095 11.342 -2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.571 12.284 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.260 10.912 0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.800 12.040 -0.549 1.00 0.00 H new ATOM 950 N LYS A 65 -8.460 6.570 0.176 1.00 0.00 N ATOM 951 CA LYS A 65 -8.389 6.631 1.627 1.00 0.00 C ATOM 952 C LYS A 65 -7.848 5.303 2.162 1.00 0.00 C ATOM 953 O LYS A 65 -7.122 5.280 3.155 1.00 0.00 O ATOM 954 CB LYS A 65 -9.746 7.023 2.214 1.00 0.00 C ATOM 955 CG LYS A 65 -9.900 6.493 3.640 1.00 0.00 C ATOM 956 CD LYS A 65 -10.656 7.493 4.518 1.00 0.00 C ATOM 957 CE LYS A 65 -9.688 8.318 5.368 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.067 8.253 6.797 1.00 0.00 N ATOM 0 H LYS A 65 -9.395 6.701 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.695 7.410 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.847 8.108 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.545 6.628 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.433 5.543 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.916 6.299 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.251 8.157 3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.351 6.960 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.672 7.945 5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.692 9.355 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.399 8.818 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.028 8.630 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.040 7.264 7.119 1.00 0.00 H new ATOM 972 N GLU A 66 -8.221 4.231 1.481 1.00 0.00 N ATOM 973 CA GLU A 66 -7.783 2.903 1.875 1.00 0.00 C ATOM 974 C GLU A 66 -6.363 2.641 1.369 1.00 0.00 C ATOM 975 O GLU A 66 -5.615 1.876 1.977 1.00 0.00 O ATOM 976 CB GLU A 66 -8.751 1.832 1.368 1.00 0.00 C ATOM 977 CG GLU A 66 -8.266 0.431 1.745 1.00 0.00 C ATOM 978 CD GLU A 66 -9.446 -0.499 2.030 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.389 -0.489 1.208 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.381 -1.201 3.063 1.00 0.00 O ATOM 0 H GLU A 66 -8.823 4.254 0.658 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.776 2.853 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.742 2.003 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.848 1.908 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.663 0.021 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.623 0.489 2.624 1.00 0.00 H new ATOM 987 N TRP A 67 -6.033 3.291 0.264 1.00 0.00 N ATOM 988 CA TRP A 67 -4.716 3.138 -0.331 1.00 0.00 C ATOM 989 C TRP A 67 -3.871 4.346 0.077 1.00 0.00 C ATOM 990 O TRP A 67 -2.829 4.611 -0.523 1.00 0.00 O ATOM 991 CB TRP A 67 -4.815 2.962 -1.847 1.00 0.00 C ATOM 992 CG TRP A 67 -5.929 2.014 -2.292 1.00 0.00 C ATOM 993 CD1 TRP A 67 -7.178 2.325 -2.666 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.845 0.577 -2.394 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.901 1.198 -3.001 1.00 0.00 N ATOM 996 CE2 TRP A 67 -7.065 0.101 -2.830 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.774 -0.294 -2.127 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.330 -1.257 -3.038 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -5.054 -1.649 -2.339 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.277 -2.143 -2.777 1.00 0.00 C ATOM 0 H TRP A 67 -6.655 3.926 -0.236 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.230 2.233 0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.977 3.937 -2.306 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.862 2.588 -2.222 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.569 3.331 -2.701 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.871 1.175 -3.316 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.811 0.055 -1.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.294 -1.603 -3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.264 -2.361 -2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.415 -3.205 -2.915 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.348 5.047 1.095 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.649 6.221 1.590 1.00 0.00 C ATOM 1013 C ASP A 68 -2.647 5.796 2.664 1.00 0.00 C ATOM 1014 O ASP A 68 -1.572 6.384 2.782 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.624 7.217 2.220 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.025 8.105 3.313 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.881 8.566 3.105 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.724 8.302 4.330 1.00 0.00 O ATOM 0 H ASP A 68 -5.211 4.824 1.591 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.145 6.694 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.026 7.856 1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.463 6.664 2.642 1.00 0.00 H new ATOM 1023 N THR A 69 -3.033 4.779 3.420 1.00 0.00 N ATOM 1024 CA THR A 69 -2.181 4.270 4.482 1.00 0.00 C ATOM 1025 C THR A 69 -1.848 2.797 4.238 1.00 0.00 C ATOM 1026 O THR A 69 -2.557 2.110 3.504 1.00 0.00 O ATOM 1027 CB THR A 69 -2.886 4.520 5.816 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.235 4.127 5.575 1.00 0.00 O ATOM 1029 CG2 THR A 69 -2.988 6.008 6.156 1.00 0.00 C ATOM 0 H THR A 69 -3.924 4.293 3.319 1.00 0.00 H new ATOM 0 HA THR A 69 -1.223 4.789 4.503 1.00 0.00 H new ATOM 0 HB THR A 69 -2.350 4.002 6.611 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.633 3.795 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.497 6.129 7.112 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.988 6.436 6.221 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.553 6.521 5.378 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.740 2.343 4.881 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.304 0.964 4.742 1.00 0.00 C ATOM 1039 C PRO A 70 -1.200 0.021 5.547 1.00 0.00 C ATOM 1040 O PRO A 70 -1.367 -1.142 5.185 1.00 0.00 O ATOM 1041 CB PRO A 70 1.141 0.959 5.213 1.00 0.00 C ATOM 1042 CG PRO A 70 1.317 2.226 6.033 1.00 0.00 C ATOM 1043 CD PRO A 70 0.125 3.128 5.757 1.00 0.00 C ATOM 0 HA PRO A 70 -0.375 0.602 3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.353 0.074 5.812 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.828 0.943 4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.378 1.988 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.246 2.728 5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.388 3.400 6.680 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.434 4.057 5.279 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.753 0.560 6.625 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.629 -0.219 7.484 1.00 0.00 C ATOM 1053 C ASN A 71 -3.921 -0.540 6.732 1.00 0.00 C ATOM 1054 O ASN A 71 -4.408 -1.669 6.780 1.00 0.00 O ATOM 1055 CB ASN A 71 -2.997 0.562 8.747 1.00 0.00 C ATOM 1056 CG ASN A 71 -4.228 -0.042 9.425 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -4.494 -1.230 9.344 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -4.963 0.840 10.096 1.00 0.00 N ATOM 0 H ASN A 71 -1.611 1.525 6.922 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.103 -1.131 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.156 0.557 9.440 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.192 1.603 8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.806 0.536 10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.684 1.821 10.124 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.442 0.473 6.056 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.669 0.312 5.295 1.00 0.00 C ATOM 1067 C LYS A 72 -5.404 -0.597 4.093 1.00 0.00 C ATOM 1068 O LYS A 72 -6.314 -1.264 3.603 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.247 1.678 4.916 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.448 2.028 5.797 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.845 3.496 5.624 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.803 4.236 6.963 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.700 3.587 7.944 1.00 0.00 N ATOM 0 H LYS A 72 -4.037 1.408 6.019 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.432 -0.175 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.479 2.444 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.549 1.671 3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.291 1.387 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.206 1.834 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.170 3.978 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.848 3.558 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.783 4.247 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.102 5.275 6.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.075 4.303 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.488 3.129 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.168 2.872 8.480 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.154 -0.595 3.654 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.758 -1.412 2.519 1.00 0.00 C ATOM 1089 C ILE A 73 -3.490 -2.841 2.994 1.00 0.00 C ATOM 1090 O ILE A 73 -4.021 -3.797 2.431 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.576 -0.775 1.787 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -3.033 0.408 0.931 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.814 -1.817 0.965 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.856 1.026 0.175 1.00 0.00 C ATOM 0 H ILE A 73 -3.402 -0.041 4.064 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.564 -1.465 1.788 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.884 -0.384 2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.791 0.076 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.498 1.162 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.979 -1.338 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.436 -2.597 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.484 -2.260 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.209 1.864 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.111 1.379 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.408 0.276 -0.477 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.665 -2.942 4.027 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.320 -4.239 4.584 1.00 0.00 C ATOM 1108 C ILE A 74 -3.602 -5.005 4.916 1.00 0.00 C ATOM 1109 O ILE A 74 -3.590 -6.232 5.011 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.376 -4.075 5.777 1.00 0.00 C ATOM 1111 CG1 ILE A 74 0.084 -4.049 5.321 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.628 -5.158 6.828 1.00 0.00 C ATOM 1113 CD1 ILE A 74 1.006 -3.602 6.458 1.00 0.00 C ATOM 0 H ILE A 74 -2.226 -2.147 4.492 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.773 -4.834 3.853 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.584 -3.114 6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.379 -5.040 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.192 -3.372 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.944 -5.019 7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.656 -5.088 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.464 -6.140 6.385 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.038 -3.592 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.724 -2.601 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.914 -4.294 7.295 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.679 -4.250 5.082 1.00 0.00 N ATOM 1126 CA ALA A 75 -5.966 -4.842 5.400 1.00 0.00 C ATOM 1127 C ALA A 75 -6.668 -5.254 4.105 1.00 0.00 C ATOM 1128 O ALA A 75 -7.507 -6.154 4.108 1.00 0.00 O ATOM 1129 CB ALA A 75 -6.794 -3.853 6.223 1.00 0.00 C ATOM 0 H ALA A 75 -4.686 -3.233 5.002 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.836 -5.740 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.760 -4.298 6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.266 -3.616 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.947 -2.940 5.648 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.298 -4.578 3.029 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.881 -4.862 1.728 1.00 0.00 C ATOM 1137 C LYS A 76 -6.333 -6.192 1.208 1.00 0.00 C ATOM 1138 O LYS A 76 -7.073 -6.990 0.634 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.657 -3.689 0.772 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.823 -2.699 0.836 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.125 -3.354 0.373 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.940 -2.399 -0.501 1.00 0.00 C ATOM 1143 NZ LYS A 76 -10.117 -2.961 -1.859 1.00 0.00 N ATOM 0 H LYS A 76 -5.601 -3.833 3.030 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.962 -4.973 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.728 -3.179 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.547 -4.061 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.939 -2.333 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.605 -1.834 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.900 -4.262 -0.186 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.715 -3.652 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.914 -2.221 -0.045 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.436 -1.434 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.795 -2.378 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.203 -2.966 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.478 -3.934 -1.788 1.00 0.00 H new ATOM 1157 N VAL A 77 -5.043 -6.390 1.427 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.387 -7.610 0.989 1.00 0.00 C ATOM 1159 C VAL A 77 -4.969 -8.801 1.753 1.00 0.00 C ATOM 1160 O VAL A 77 -5.239 -9.847 1.166 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.871 -7.478 1.153 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -2.152 -8.711 0.600 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.357 -6.200 0.489 1.00 0.00 C ATOM 0 H VAL A 77 -4.433 -5.725 1.903 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.572 -7.782 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.653 -7.412 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.076 -8.593 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.486 -9.599 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.381 -8.821 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.277 -6.131 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.592 -6.223 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.835 -5.334 0.948 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.147 -8.600 3.051 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.693 -9.644 3.901 1.00 0.00 C ATOM 1175 C GLU A 78 -7.161 -9.899 3.554 1.00 0.00 C ATOM 1176 O GLU A 78 -7.637 -11.030 3.645 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.533 -9.285 5.380 1.00 0.00 C ATOM 1178 CG GLU A 78 -4.109 -9.567 5.863 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.935 -11.043 6.226 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.700 -11.835 5.289 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -4.042 -11.346 7.434 1.00 0.00 O ATOM 0 H GLU A 78 -4.923 -7.730 3.534 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.134 -10.562 3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.769 -8.231 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.243 -9.859 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.396 -9.294 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.886 -8.947 6.731 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.837 -8.829 3.163 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.241 -8.922 2.802 1.00 0.00 C ATOM 1190 C GLN A 79 -9.387 -9.199 1.304 1.00 0.00 C ATOM 1191 O GLN A 79 -10.423 -8.900 0.712 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.996 -7.653 3.200 1.00 0.00 C ATOM 1193 CG GLN A 79 -10.273 -7.629 4.705 1.00 0.00 C ATOM 1194 CD GLN A 79 -9.963 -6.254 5.299 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -9.732 -5.284 4.596 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -9.972 -6.224 6.628 1.00 0.00 N ATOM 0 H GLN A 79 -7.438 -7.893 3.088 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.682 -9.754 3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.413 -6.776 2.920 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.937 -7.599 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.317 -7.882 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.668 -8.388 5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.173 -7.073 7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.778 -5.352 7.120 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.333 -9.765 0.734 1.00 0.00 N ATOM 1206 CA ALA A 80 -8.331 -10.085 -0.683 1.00 0.00 C ATOM 1207 C ALA A 80 -8.104 -11.587 -0.862 1.00 0.00 C ATOM 1208 O ALA A 80 -8.854 -12.251 -1.576 1.00 0.00 O ATOM 1209 CB ALA A 80 -7.266 -9.246 -1.394 1.00 0.00 C ATOM 0 H ALA A 80 -7.475 -10.010 1.228 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.293 -9.841 -1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.264 -9.486 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.488 -8.187 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.286 -9.467 -0.970 1.00 0.00 H new ATOM 1215 N GLN A 81 -7.066 -12.079 -0.201 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.732 -13.492 -0.279 1.00 0.00 C ATOM 1217 C GLN A 81 -8.002 -14.342 -0.229 1.00 0.00 C ATOM 1218 O GLN A 81 -8.137 -15.308 -0.979 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.763 -13.887 0.837 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.508 -13.011 0.810 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.935 -12.918 -0.606 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -4.360 -11.861 -1.292 1.00 0.00 O flip ATOM 1223 NE2 GLN A 81 -3.160 -13.751 -1.046 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.446 -11.526 0.390 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.234 -13.676 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.257 -13.790 1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.482 -14.934 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.749 -12.013 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.757 -13.424 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.874 -14.539 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.798 -13.659 -1.995 1.00 0.00 H new