USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 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 21 THR OG1 : rot -91:sc= -0.0845 USER MOD Set 1.2: A 100 GLN : amide:sc= -2.62 K(o=-2.7,f=-2.2) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 129:sc= -0.24 (180deg=-1.03) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 13 ASN : amide:sc= -9.69! C(o=-9.7!,f=-5.8!) USER MOD Single : A 15 ASN : amide:sc= -0.68 X(o=-0.68,f=-1.2) USER MOD Single : A 16 ASN : amide:sc= -3.29! C(o=-3.3!,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -2.11 K(o=-2.1,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -110:sc= -1.29 (180deg=-3.17!) USER MOD Single : A 42 MET CE :methyl 152:sc= -1.31 (180deg=-3.34!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 48 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.6) USER MOD Single : A 55 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 63 GLN : amide:sc= -0.884 K(o=-0.88,f=-2!) USER MOD Single : A 64 HIS : no HD1:sc= -17.4! C(o=-17!,f=-17!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= -1.54 (180deg=-1.6) USER MOD Single : A 73 TYR OH : rot -30:sc= -0.971 USER MOD Single : A 79 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-1.3) USER MOD Single : A 81 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 163:sc= -3.34 (180deg=-3.98) USER MOD Single : A 106 SER OG : rot -3:sc= 0.748! USER MOD Single : A 111 ASN : amide:sc= -0.943 K(o=-0.94,f=-8.4!) USER MOD Single : A 119 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.6!) USER MOD Single : A 125 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0282) USER MOD Single : A 127 LYS NZ :NH3+ -156:sc= -0.0663 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.623 -5.139 -2.247 1.00 0.00 N ATOM 21 CA LYS A 2 -20.451 -4.555 -2.889 1.00 0.00 C ATOM 22 C LYS A 2 -19.183 -5.309 -2.500 1.00 0.00 C ATOM 23 O LYS A 2 -19.067 -5.821 -1.387 1.00 0.00 O ATOM 24 CB LYS A 2 -20.320 -3.074 -2.520 1.00 0.00 C ATOM 25 CG LYS A 2 -19.950 -2.839 -1.065 1.00 0.00 C ATOM 26 CD LYS A 2 -20.774 -1.718 -0.452 1.00 0.00 C ATOM 27 CE LYS A 2 -20.341 -0.358 -0.974 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.493 0.573 -1.124 1.00 0.00 N ATOM 0 HA LYS A 2 -20.581 -4.638 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -19.564 -2.615 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -21.263 -2.571 -2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.104 -3.757 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.890 -2.593 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.829 -1.876 -0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.672 -1.742 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.610 0.076 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.845 -0.480 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.155 1.489 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.179 0.171 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.951 0.710 -0.200 1.00 0.00 H new ATOM 42 N LYS A 3 -18.235 -5.367 -3.428 1.00 0.00 N ATOM 43 CA LYS A 3 -16.969 -6.053 -3.197 1.00 0.00 C ATOM 44 C LYS A 3 -15.813 -5.238 -3.764 1.00 0.00 C ATOM 45 O LYS A 3 -15.921 -4.665 -4.847 1.00 0.00 O ATOM 46 CB LYS A 3 -16.992 -7.445 -3.831 1.00 0.00 C ATOM 47 CG LYS A 3 -17.119 -7.422 -5.345 1.00 0.00 C ATOM 48 CD LYS A 3 -15.758 -7.498 -6.020 1.00 0.00 C ATOM 49 CE LYS A 3 -15.308 -8.938 -6.206 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.286 -9.726 -7.005 1.00 0.00 N ATOM 0 H LYS A 3 -18.320 -4.945 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.827 -6.161 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.078 -7.974 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.824 -8.012 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.736 -8.259 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.629 -6.510 -5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.803 -7.002 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.023 -6.961 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.337 -8.954 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.175 -9.406 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.790 -10.212 -7.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.747 -10.430 -6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.005 -9.088 -7.401 1.00 0.00 H new ATOM 64 N LEU A 4 -14.713 -5.175 -3.023 1.00 0.00 N ATOM 65 CA LEU A 4 -13.552 -4.411 -3.458 1.00 0.00 C ATOM 66 C LEU A 4 -12.246 -5.063 -3.009 1.00 0.00 C ATOM 67 O LEU A 4 -12.128 -5.528 -1.877 1.00 0.00 O ATOM 68 CB LEU A 4 -13.641 -2.988 -2.908 1.00 0.00 C ATOM 69 CG LEU A 4 -13.484 -2.872 -1.391 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.028 -2.640 -1.021 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.362 -1.754 -0.850 1.00 0.00 C ATOM 0 H LEU A 4 -14.601 -5.641 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.552 -4.388 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.872 -2.381 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.604 -2.564 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.805 -3.810 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.936 -2.560 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.425 -3.476 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.678 -1.718 -1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.238 -1.685 0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.072 -0.809 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.406 -1.966 -1.083 1.00 0.00 H new ATOM 83 N GLN A 5 -11.264 -5.081 -3.906 1.00 0.00 N ATOM 84 CA GLN A 5 -9.960 -5.663 -3.605 1.00 0.00 C ATOM 85 C GLN A 5 -8.924 -4.578 -3.354 1.00 0.00 C ATOM 86 O GLN A 5 -9.038 -3.463 -3.862 1.00 0.00 O ATOM 87 CB GLN A 5 -9.487 -6.562 -4.744 1.00 0.00 C ATOM 88 CG GLN A 5 -10.599 -7.394 -5.350 1.00 0.00 C ATOM 89 CD GLN A 5 -10.116 -8.302 -6.463 1.00 0.00 C ATOM 90 OE1 GLN A 5 -8.914 -8.511 -6.632 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.052 -8.845 -7.233 1.00 0.00 N ATOM 0 H GLN A 5 -11.347 -4.699 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.072 -6.263 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.038 -5.945 -5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.706 -7.226 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.061 -7.998 -4.569 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.372 -6.731 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.037 -8.645 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.786 -9.462 -8.000 1.00 0.00 H new ATOM 100 N ILE A 6 -7.918 -4.914 -2.562 1.00 0.00 N ATOM 101 CA ILE A 6 -6.861 -3.984 -2.228 1.00 0.00 C ATOM 102 C ILE A 6 -5.525 -4.701 -2.062 1.00 0.00 C ATOM 103 O ILE A 6 -5.375 -5.552 -1.188 1.00 0.00 O ATOM 104 CB ILE A 6 -7.180 -3.238 -0.925 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.576 -2.620 -0.988 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.131 -2.175 -0.665 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.994 -1.955 0.302 1.00 0.00 C ATOM 0 H ILE A 6 -7.815 -5.835 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.790 -3.274 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.164 -3.950 -0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.605 -1.886 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.299 -3.397 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.366 -1.651 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.151 -2.644 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.121 -1.464 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.994 -1.537 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.997 -2.691 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.293 -1.156 0.544 1.00 0.00 H new ATOM 119 N ALA A 7 -4.551 -4.331 -2.883 1.00 0.00 N ATOM 120 CA ALA A 7 -3.221 -4.918 -2.795 1.00 0.00 C ATOM 121 C ALA A 7 -2.202 -3.813 -2.631 1.00 0.00 C ATOM 122 O ALA A 7 -2.168 -2.876 -3.422 1.00 0.00 O ATOM 123 CB ALA A 7 -2.906 -5.756 -4.024 1.00 0.00 C ATOM 0 H ALA A 7 -4.657 -3.629 -3.615 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.184 -5.581 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.907 -6.181 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.635 -6.561 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.950 -5.128 -4.914 1.00 0.00 H new ATOM 129 N VAL A 8 -1.385 -3.902 -1.598 1.00 0.00 N ATOM 130 CA VAL A 8 -0.398 -2.866 -1.356 1.00 0.00 C ATOM 131 C VAL A 8 0.977 -3.447 -1.071 1.00 0.00 C ATOM 132 O VAL A 8 1.121 -4.621 -0.737 1.00 0.00 O ATOM 133 CB VAL A 8 -0.824 -1.931 -0.196 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.277 -2.169 0.195 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.089 -2.098 1.014 1.00 0.00 C ATOM 0 H VAL A 8 -1.383 -4.667 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.338 -2.279 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.729 -0.905 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.549 -1.499 1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.921 -1.975 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.403 -3.203 0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.236 -1.429 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.043 -3.129 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.114 -1.856 0.733 1.00 0.00 H new ATOM 145 N GLY A 9 1.983 -2.596 -1.200 1.00 0.00 N ATOM 146 CA GLY A 9 3.342 -3.007 -0.950 1.00 0.00 C ATOM 147 C GLY A 9 4.191 -1.866 -0.428 1.00 0.00 C ATOM 148 O GLY A 9 4.376 -0.860 -1.113 1.00 0.00 O ATOM 0 H GLY A 9 1.877 -1.620 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.347 -3.823 -0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.780 -3.393 -1.871 1.00 0.00 H new ATOM 152 N ILE A 10 4.716 -2.023 0.780 1.00 0.00 N ATOM 153 CA ILE A 10 5.560 -0.991 1.375 1.00 0.00 C ATOM 154 C ILE A 10 6.884 -0.945 0.629 1.00 0.00 C ATOM 155 O ILE A 10 7.682 -1.873 0.728 1.00 0.00 O ATOM 156 CB ILE A 10 5.836 -1.236 2.885 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.246 -2.568 3.366 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.287 -0.087 3.720 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.498 -2.846 4.833 1.00 0.00 C ATOM 0 H ILE A 10 4.575 -2.847 1.364 1.00 0.00 H new ATOM 0 HA ILE A 10 5.026 -0.044 1.292 1.00 0.00 H new ATOM 0 HB ILE A 10 6.917 -1.287 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.171 -2.567 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.669 -3.379 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.489 -0.275 4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.768 0.844 3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.211 -0.006 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.053 -3.804 5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.572 -2.880 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.051 -2.055 5.435 1.00 0.00 H new ATOM 171 N ILE A 11 7.104 0.126 -0.131 1.00 0.00 N ATOM 172 CA ILE A 11 8.327 0.261 -0.918 1.00 0.00 C ATOM 173 C ILE A 11 9.538 0.504 -0.033 1.00 0.00 C ATOM 174 O ILE A 11 9.602 1.489 0.696 1.00 0.00 O ATOM 175 CB ILE A 11 8.237 1.400 -1.953 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.797 1.584 -2.445 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.169 1.108 -3.121 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.699 2.297 -3.776 1.00 0.00 C ATOM 0 H ILE A 11 6.455 0.908 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 11 8.443 -0.685 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 11 8.545 2.330 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.323 0.606 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.236 2.146 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.102 1.915 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.194 1.030 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.879 0.169 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.651 2.392 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.143 3.289 -3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.232 1.725 -4.535 1.00 0.00 H new ATOM 190 N ARG A 12 10.493 -0.415 -0.104 1.00 0.00 N ATOM 191 CA ARG A 12 11.711 -0.327 0.691 1.00 0.00 C ATOM 192 C ARG A 12 12.741 0.583 0.044 1.00 0.00 C ATOM 193 O ARG A 12 13.213 0.318 -1.066 1.00 0.00 O ATOM 194 CB ARG A 12 12.315 -1.714 0.894 1.00 0.00 C ATOM 195 CG ARG A 12 12.201 -2.212 2.323 1.00 0.00 C ATOM 196 CD ARG A 12 13.563 -2.348 2.988 1.00 0.00 C ATOM 197 NE ARG A 12 13.871 -3.736 3.326 1.00 0.00 N ATOM 198 CZ ARG A 12 13.378 -4.366 4.389 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.553 -3.739 5.218 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.709 -5.628 4.623 1.00 0.00 N ATOM 0 H ARG A 12 10.446 -1.235 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 12 11.437 0.099 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.818 -2.420 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.366 -1.691 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.583 -1.523 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.695 -3.177 2.332 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.332 -1.958 2.322 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.587 -1.741 3.893 1.00 0.00 H new ATOM 0 HE ARG A 12 14.501 -4.252 2.711 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.293 -2.768 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.178 -4.228 6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.341 -6.115 3.988 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.331 -6.112 5.438 1.00 0.00 H new ATOM 214 N ASN A 13 13.084 1.648 0.765 1.00 0.00 N ATOM 215 CA ASN A 13 14.067 2.624 0.304 1.00 0.00 C ATOM 216 C ASN A 13 15.488 2.115 0.485 1.00 0.00 C ATOM 217 O ASN A 13 15.721 0.954 0.823 1.00 0.00 O ATOM 218 CB ASN A 13 13.907 3.949 1.039 1.00 0.00 C ATOM 219 CG ASN A 13 14.513 5.137 0.309 1.00 0.00 C ATOM 220 OD1 ASN A 13 15.021 6.067 0.938 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.466 5.122 -1.020 1.00 0.00 N ATOM 0 H ASN A 13 12.690 1.858 1.682 1.00 0.00 H new ATOM 0 HA ASN A 13 13.886 2.779 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.846 4.138 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.369 3.865 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.859 5.898 -1.553 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.037 4.335 -1.506 1.00 0.00 H new ATOM 228 N GLU A 14 16.428 3.009 0.234 1.00 0.00 N ATOM 229 CA GLU A 14 17.852 2.709 0.333 1.00 0.00 C ATOM 230 C GLU A 14 18.375 2.829 1.769 1.00 0.00 C ATOM 231 O GLU A 14 19.576 2.700 2.005 1.00 0.00 O ATOM 232 CB GLU A 14 18.625 3.664 -0.580 1.00 0.00 C ATOM 233 CG GLU A 14 20.136 3.504 -0.507 1.00 0.00 C ATOM 234 CD GLU A 14 20.811 3.730 -1.846 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.272 4.511 -2.658 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.878 3.126 -2.083 1.00 0.00 O ATOM 0 H GLU A 14 16.228 3.969 -0.046 1.00 0.00 H new ATOM 0 HA GLU A 14 18.000 1.675 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.303 3.506 -1.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.366 4.690 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.538 4.208 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.375 2.503 -0.148 1.00 0.00 H new ATOM 243 N ASN A 15 17.487 3.080 2.726 1.00 0.00 N ATOM 244 CA ASN A 15 17.902 3.217 4.120 1.00 0.00 C ATOM 245 C ASN A 15 16.899 2.563 5.068 1.00 0.00 C ATOM 246 O ASN A 15 16.429 3.188 6.018 1.00 0.00 O ATOM 247 CB ASN A 15 18.071 4.697 4.473 1.00 0.00 C ATOM 248 CG ASN A 15 18.560 4.902 5.894 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.820 5.378 6.755 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.813 4.542 6.146 1.00 0.00 N ATOM 0 H ASN A 15 16.486 3.192 2.566 1.00 0.00 H new ATOM 0 HA ASN A 15 18.857 2.705 4.238 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.777 5.154 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.118 5.210 4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.198 4.656 7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.391 4.151 5.402 1.00 0.00 H new ATOM 257 N ASN A 16 16.574 1.300 4.798 1.00 0.00 N ATOM 258 CA ASN A 16 15.623 0.549 5.621 1.00 0.00 C ATOM 259 C ASN A 16 14.368 1.369 5.925 1.00 0.00 C ATOM 260 O ASN A 16 13.656 1.096 6.890 1.00 0.00 O ATOM 261 CB ASN A 16 16.286 0.091 6.925 1.00 0.00 C ATOM 262 CG ASN A 16 16.607 1.244 7.858 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.726 2.017 8.234 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.874 1.365 8.235 1.00 0.00 N ATOM 0 H ASN A 16 16.956 0.772 4.013 1.00 0.00 H new ATOM 0 HA ASN A 16 15.317 -0.328 5.051 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.627 -0.611 7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.204 -0.447 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.150 2.122 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.572 0.701 7.899 1.00 0.00 H new ATOM 271 N GLU A 17 14.091 2.353 5.077 1.00 0.00 N ATOM 272 CA GLU A 17 12.911 3.192 5.230 1.00 0.00 C ATOM 273 C GLU A 17 12.007 2.982 4.029 1.00 0.00 C ATOM 274 O GLU A 17 12.488 2.714 2.935 1.00 0.00 O ATOM 275 CB GLU A 17 13.291 4.673 5.362 1.00 0.00 C ATOM 276 CG GLU A 17 14.559 5.061 4.618 1.00 0.00 C ATOM 277 CD GLU A 17 14.486 6.456 4.026 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.505 7.174 4.314 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.411 6.830 3.275 1.00 0.00 O ATOM 0 H GLU A 17 14.672 2.589 4.273 1.00 0.00 H new ATOM 0 HA GLU A 17 12.389 2.909 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.466 5.282 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.416 4.912 6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.407 5.004 5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.742 4.341 3.820 1.00 0.00 H new ATOM 286 N ILE A 18 10.702 3.066 4.230 1.00 0.00 N ATOM 287 CA ILE A 18 9.769 2.840 3.136 1.00 0.00 C ATOM 288 C ILE A 18 9.020 4.110 2.742 1.00 0.00 C ATOM 289 O ILE A 18 8.674 4.936 3.586 1.00 0.00 O ATOM 290 CB ILE A 18 8.761 1.730 3.504 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.433 0.356 3.456 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.542 1.757 2.589 1.00 0.00 C ATOM 293 CD1 ILE A 18 10.663 0.251 4.331 1.00 0.00 C ATOM 0 H ILE A 18 10.268 3.286 5.127 1.00 0.00 H new ATOM 0 HA ILE A 18 10.360 2.525 2.276 1.00 0.00 H new ATOM 0 HB ILE A 18 8.419 1.919 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.713 -0.402 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.710 0.132 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.854 0.962 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.041 2.721 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.858 1.607 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.086 -0.750 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.402 0.985 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.389 0.442 5.368 1.00 0.00 H new ATOM 305 N PHE A 19 8.766 4.238 1.443 1.00 0.00 N ATOM 306 CA PHE A 19 8.046 5.380 0.900 1.00 0.00 C ATOM 307 C PHE A 19 6.542 5.109 0.915 1.00 0.00 C ATOM 308 O PHE A 19 6.055 4.222 0.215 1.00 0.00 O ATOM 309 CB PHE A 19 8.536 5.669 -0.529 1.00 0.00 C ATOM 310 CG PHE A 19 7.523 6.338 -1.422 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.541 5.594 -2.057 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.561 7.706 -1.631 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.615 6.202 -2.881 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.636 8.320 -2.456 1.00 0.00 C ATOM 315 CZ PHE A 19 5.662 7.567 -3.081 1.00 0.00 C ATOM 0 H PHE A 19 9.053 3.555 0.742 1.00 0.00 H new ATOM 0 HA PHE A 19 8.239 6.257 1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.423 6.300 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.842 4.730 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.500 4.525 -1.905 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.321 8.300 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.855 5.610 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.676 9.388 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.939 8.045 -3.725 1.00 0.00 H new ATOM 325 N ILE A 20 5.814 5.874 1.718 1.00 0.00 N ATOM 326 CA ILE A 20 4.367 5.714 1.819 1.00 0.00 C ATOM 327 C ILE A 20 3.663 6.995 1.384 1.00 0.00 C ATOM 328 O ILE A 20 4.091 8.096 1.731 1.00 0.00 O ATOM 329 CB ILE A 20 3.914 5.345 3.254 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.120 5.049 4.150 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.974 4.149 3.220 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.759 4.861 5.608 1.00 0.00 C ATOM 0 H ILE A 20 6.200 6.611 2.309 1.00 0.00 H new ATOM 0 HA ILE A 20 4.092 4.892 1.158 1.00 0.00 H new ATOM 0 HB ILE A 20 3.382 6.199 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.619 4.150 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.836 5.867 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.664 3.901 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.096 4.393 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.488 3.295 2.779 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.662 4.655 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.288 5.768 5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.067 4.024 5.707 1.00 0.00 H new ATOM 344 N THR A 21 2.587 6.850 0.619 1.00 0.00 N ATOM 345 CA THR A 21 1.838 8.004 0.135 1.00 0.00 C ATOM 346 C THR A 21 1.079 8.680 1.272 1.00 0.00 C ATOM 347 O THR A 21 0.271 8.049 1.954 1.00 0.00 O ATOM 348 CB THR A 21 0.863 7.584 -0.965 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.301 7.002 -0.409 1.00 0.00 O ATOM 350 CG2 THR A 21 1.451 6.591 -1.944 1.00 0.00 C ATOM 0 H THR A 21 2.215 5.948 0.321 1.00 0.00 H new ATOM 0 HA THR A 21 2.551 8.718 -0.276 1.00 0.00 H new ATOM 0 HB THR A 21 0.627 8.502 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.175 6.034 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.705 6.337 -2.697 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.322 7.031 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.751 5.689 -1.411 1.00 0.00 H new ATOM 358 N ARG A 22 1.344 9.968 1.470 1.00 0.00 N ATOM 359 CA ARG A 22 0.686 10.730 2.524 1.00 0.00 C ATOM 360 C ARG A 22 0.509 12.188 2.118 1.00 0.00 C ATOM 361 O ARG A 22 1.266 12.712 1.302 1.00 0.00 O ATOM 362 CB ARG A 22 1.493 10.646 3.820 1.00 0.00 C ATOM 363 CG ARG A 22 2.865 11.293 3.729 1.00 0.00 C ATOM 364 CD ARG A 22 3.355 11.755 5.092 1.00 0.00 C ATOM 365 NE ARG A 22 4.786 11.521 5.268 1.00 0.00 N ATOM 366 CZ ARG A 22 5.734 12.305 4.758 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.407 13.373 4.041 1.00 0.00 N ATOM 368 NH2 ARG A 22 7.012 12.020 4.968 1.00 0.00 N ATOM 0 H ARG A 22 2.010 10.505 0.914 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.301 10.297 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.928 11.124 4.621 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.613 9.598 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.576 10.583 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.823 12.144 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.144 12.818 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.803 11.231 5.872 1.00 0.00 H new ATOM 0 HE ARG A 22 5.076 10.709 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.425 13.597 3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.137 13.970 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.268 11.201 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.739 12.620 4.578 1.00 0.00 H new ATOM 493 N ASN A 31 -4.315 12.845 6.414 1.00 0.00 N ATOM 494 CA ASN A 31 -4.812 11.594 6.974 1.00 0.00 C ATOM 495 C ASN A 31 -4.832 10.483 5.926 1.00 0.00 C ATOM 496 O ASN A 31 -5.600 9.527 6.038 1.00 0.00 O ATOM 497 CB ASN A 31 -6.219 11.796 7.544 1.00 0.00 C ATOM 498 CG ASN A 31 -6.447 11.011 8.820 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.811 9.835 8.784 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.231 11.658 9.960 1.00 0.00 N ATOM 0 HA ASN A 31 -4.135 11.293 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.379 12.856 7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.956 11.495 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.366 11.180 10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.930 12.632 9.944 1.00 0.00 H new ATOM 507 N LYS A 32 -3.986 10.611 4.906 1.00 0.00 N ATOM 508 CA LYS A 32 -3.915 9.616 3.841 1.00 0.00 C ATOM 509 C LYS A 32 -2.570 8.901 3.840 1.00 0.00 C ATOM 510 O LYS A 32 -2.115 8.408 2.809 1.00 0.00 O ATOM 511 CB LYS A 32 -4.171 10.263 2.479 1.00 0.00 C ATOM 512 CG LYS A 32 -4.987 9.395 1.536 1.00 0.00 C ATOM 513 CD LYS A 32 -6.479 9.565 1.773 1.00 0.00 C ATOM 514 CE LYS A 32 -7.222 8.248 1.615 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.631 8.455 1.178 1.00 0.00 N ATOM 0 H LYS A 32 -3.341 11.394 4.796 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.692 8.875 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.690 11.210 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.214 10.494 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.750 9.654 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.713 8.349 1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.647 9.961 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.879 10.296 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.704 7.624 0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.211 7.709 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.104 7.534 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.133 9.029 1.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.642 8.947 0.262 1.00 0.00 H new ATOM 529 N LEU A 33 -1.943 8.855 5.003 1.00 0.00 N ATOM 530 CA LEU A 33 -0.645 8.206 5.151 1.00 0.00 C ATOM 531 C LEU A 33 -0.782 6.684 5.104 1.00 0.00 C ATOM 532 O LEU A 33 -0.505 5.995 6.083 1.00 0.00 O ATOM 533 CB LEU A 33 0.011 8.644 6.466 1.00 0.00 C ATOM 534 CG LEU A 33 1.308 7.916 6.834 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.309 7.986 5.693 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.903 8.505 8.104 1.00 0.00 C ATOM 0 H LEU A 33 -2.311 9.260 5.864 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.011 8.510 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.219 9.712 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.706 8.501 7.274 1.00 0.00 H new ATOM 0 HG LEU A 33 1.073 6.867 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.222 7.462 5.977 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.883 7.517 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.541 9.029 5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.824 7.978 8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.121 9.562 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.191 8.398 8.923 1.00 0.00 H new ATOM 548 N GLU A 34 -1.207 6.160 3.955 1.00 0.00 N ATOM 549 CA GLU A 34 -1.369 4.717 3.798 1.00 0.00 C ATOM 550 C GLU A 34 -0.394 4.161 2.763 1.00 0.00 C ATOM 551 O GLU A 34 0.497 4.869 2.292 1.00 0.00 O ATOM 552 CB GLU A 34 -2.812 4.363 3.420 1.00 0.00 C ATOM 553 CG GLU A 34 -3.361 5.155 2.247 1.00 0.00 C ATOM 554 CD GLU A 34 -2.771 4.718 0.919 1.00 0.00 C ATOM 555 OE1 GLU A 34 -1.670 5.193 0.574 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.412 3.901 0.226 1.00 0.00 O ATOM 0 H GLU A 34 -1.443 6.707 3.127 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.144 4.255 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.863 3.301 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.453 4.527 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.445 5.043 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.155 6.214 2.401 1.00 0.00 H new ATOM 563 N PHE A 35 -0.552 2.882 2.438 1.00 0.00 N ATOM 564 CA PHE A 35 0.329 2.215 1.486 1.00 0.00 C ATOM 565 C PHE A 35 -0.181 2.313 0.049 1.00 0.00 C ATOM 566 O PHE A 35 -1.365 2.545 -0.194 1.00 0.00 O ATOM 567 CB PHE A 35 0.474 0.744 1.865 1.00 0.00 C ATOM 568 CG PHE A 35 0.902 0.524 3.286 1.00 0.00 C ATOM 569 CD1 PHE A 35 2.175 0.874 3.701 1.00 0.00 C ATOM 570 CD2 PHE A 35 0.032 -0.041 4.202 1.00 0.00 C ATOM 571 CE1 PHE A 35 2.572 0.667 5.008 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.424 -0.252 5.510 1.00 0.00 C ATOM 573 CZ PHE A 35 1.695 0.103 5.912 1.00 0.00 C ATOM 0 H PHE A 35 -1.285 2.285 2.821 1.00 0.00 H new ATOM 0 HA PHE A 35 1.293 2.721 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.479 0.240 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.201 0.277 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.865 1.313 2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.964 -0.320 3.891 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.567 0.946 5.322 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.263 -0.694 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.004 -0.060 6.934 1.00 0.00 H new ATOM 583 N PRO A 36 0.729 2.112 -0.923 1.00 0.00 N ATOM 584 CA PRO A 36 0.416 2.148 -2.350 1.00 0.00 C ATOM 585 C PRO A 36 -0.124 0.810 -2.847 1.00 0.00 C ATOM 586 O PRO A 36 -0.021 -0.196 -2.155 1.00 0.00 O ATOM 587 CB PRO A 36 1.770 2.445 -2.984 1.00 0.00 C ATOM 588 CG PRO A 36 2.754 1.781 -2.084 1.00 0.00 C ATOM 589 CD PRO A 36 2.160 1.815 -0.696 1.00 0.00 C ATOM 0 HA PRO A 36 -0.357 2.877 -2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.829 2.050 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.952 3.518 -3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.939 0.755 -2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.713 2.299 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.293 0.863 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.633 2.579 -0.079 1.00 0.00 H new ATOM 597 N GLY A 37 -0.684 0.798 -4.049 1.00 0.00 N ATOM 598 CA GLY A 37 -1.221 -0.435 -4.607 1.00 0.00 C ATOM 599 C GLY A 37 -2.738 -0.546 -4.527 1.00 0.00 C ATOM 600 O GLY A 37 -3.319 -1.483 -5.058 1.00 0.00 O ATOM 0 H GLY A 37 -0.778 1.617 -4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.917 -0.511 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.778 -1.282 -4.083 1.00 0.00 H new ATOM 604 N GLY A 38 -3.377 0.408 -3.885 1.00 0.00 N ATOM 605 CA GLY A 38 -4.825 0.397 -3.770 1.00 0.00 C ATOM 606 C GLY A 38 -5.525 0.533 -5.113 1.00 0.00 C ATOM 607 O GLY A 38 -5.209 1.440 -5.884 1.00 0.00 O ATOM 0 H GLY A 38 -2.921 1.201 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.140 -0.532 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.139 1.212 -3.118 1.00 0.00 H new ATOM 611 N LYS A 39 -6.486 -0.367 -5.385 1.00 0.00 N ATOM 612 CA LYS A 39 -7.259 -0.362 -6.633 1.00 0.00 C ATOM 613 C LYS A 39 -6.882 -1.530 -7.539 1.00 0.00 C ATOM 614 O LYS A 39 -7.409 -1.658 -8.643 1.00 0.00 O ATOM 615 CB LYS A 39 -7.097 0.944 -7.406 1.00 0.00 C ATOM 616 CG LYS A 39 -8.057 1.065 -8.571 1.00 0.00 C ATOM 617 CD LYS A 39 -8.907 2.322 -8.467 1.00 0.00 C ATOM 618 CE LYS A 39 -9.748 2.325 -7.199 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.080 3.057 -6.084 1.00 0.00 N ATOM 0 H LYS A 39 -6.746 -1.117 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.303 -0.465 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.250 1.783 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.074 1.016 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.496 1.081 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.704 0.189 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.262 3.200 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.559 2.394 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.714 2.785 -7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.943 1.298 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.780 2.379 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.248 3.562 -6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.745 3.740 -5.670 1.00 0.00 H new ATOM 633 N ILE A 40 -5.978 -2.386 -7.074 1.00 0.00 N ATOM 634 CA ILE A 40 -5.556 -3.544 -7.861 1.00 0.00 C ATOM 635 C ILE A 40 -6.760 -4.301 -8.392 1.00 0.00 C ATOM 636 O ILE A 40 -6.708 -4.935 -9.446 1.00 0.00 O ATOM 637 CB ILE A 40 -4.670 -4.505 -7.044 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.521 -5.363 -6.088 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.623 -3.708 -6.282 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.018 -6.782 -5.925 1.00 0.00 C ATOM 0 H ILE A 40 -5.525 -2.303 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.968 -3.161 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.164 -5.187 -7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.547 -4.883 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.546 -5.391 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.997 -4.388 -5.705 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.003 -3.154 -6.987 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.118 -3.009 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.669 -7.322 -5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.019 -7.282 -6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.004 -6.765 -5.526 1.00 0.00 H new ATOM 652 N GLU A 41 -7.840 -4.223 -7.628 1.00 0.00 N ATOM 653 CA GLU A 41 -9.093 -4.884 -7.962 1.00 0.00 C ATOM 654 C GLU A 41 -9.358 -4.823 -9.458 1.00 0.00 C ATOM 655 O GLU A 41 -9.142 -5.804 -10.167 1.00 0.00 O ATOM 656 CB GLU A 41 -10.248 -4.237 -7.193 1.00 0.00 C ATOM 657 CG GLU A 41 -10.073 -2.740 -6.945 1.00 0.00 C ATOM 658 CD GLU A 41 -11.225 -1.917 -7.490 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.315 -1.944 -6.880 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.038 -1.245 -8.526 1.00 0.00 O ATOM 0 H GLU A 41 -7.872 -3.697 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.015 -5.932 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.173 -4.397 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.359 -4.742 -6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.980 -2.562 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.143 -2.406 -7.406 1.00 0.00 H new ATOM 667 N MET A 42 -9.811 -3.661 -9.925 1.00 0.00 N ATOM 668 CA MET A 42 -10.099 -3.443 -11.346 1.00 0.00 C ATOM 669 C MET A 42 -10.626 -4.712 -12.023 1.00 0.00 C ATOM 670 O MET A 42 -11.836 -4.912 -12.130 1.00 0.00 O ATOM 671 CB MET A 42 -8.842 -2.945 -12.068 1.00 0.00 C ATOM 672 CG MET A 42 -8.453 -1.523 -11.701 1.00 0.00 C ATOM 673 SD MET A 42 -9.230 -0.293 -12.765 1.00 0.00 S ATOM 674 CE MET A 42 -10.895 -0.279 -12.105 1.00 0.00 C ATOM 0 H MET A 42 -9.989 -2.848 -9.336 1.00 0.00 H new ATOM 0 HA MET A 42 -10.880 -2.685 -11.411 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.011 -3.612 -11.835 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.005 -3.002 -13.144 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.732 -1.330 -10.665 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.370 -1.419 -11.764 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.344 0.700 -12.271 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.492 -1.041 -12.607 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.864 -0.488 -11.036 1.00 0.00 H new ATOM 684 N GLY A 43 -9.708 -5.566 -12.473 1.00 0.00 N ATOM 685 CA GLY A 43 -10.098 -6.799 -13.126 1.00 0.00 C ATOM 686 C GLY A 43 -8.917 -7.683 -13.454 1.00 0.00 C ATOM 687 O GLY A 43 -8.920 -8.393 -14.459 1.00 0.00 O ATOM 0 H GLY A 43 -8.701 -5.423 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.787 -7.345 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.637 -6.565 -14.044 1.00 0.00 H new ATOM 691 N GLU A 44 -7.905 -7.632 -12.607 1.00 0.00 N ATOM 692 CA GLU A 44 -6.699 -8.430 -12.809 1.00 0.00 C ATOM 693 C GLU A 44 -6.830 -9.802 -12.151 1.00 0.00 C ATOM 694 O GLU A 44 -7.899 -10.165 -11.661 1.00 0.00 O ATOM 695 CB GLU A 44 -5.479 -7.694 -12.257 1.00 0.00 C ATOM 696 CG GLU A 44 -4.733 -6.882 -13.302 1.00 0.00 C ATOM 697 CD GLU A 44 -5.049 -5.401 -13.224 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.849 -4.809 -12.143 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.495 -4.834 -14.243 1.00 0.00 O ATOM 0 H GLU A 44 -7.890 -7.048 -11.771 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.569 -8.580 -13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.799 -7.030 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.795 -8.420 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.661 -7.028 -13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.988 -7.252 -14.295 1.00 0.00 H new ATOM 706 N THR A 45 -5.736 -10.562 -12.144 1.00 0.00 N ATOM 707 CA THR A 45 -5.733 -11.891 -11.546 1.00 0.00 C ATOM 708 C THR A 45 -5.144 -11.837 -10.140 1.00 0.00 C ATOM 709 O THR A 45 -4.340 -10.960 -9.835 1.00 0.00 O ATOM 710 CB THR A 45 -4.927 -12.861 -12.417 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.538 -12.244 -13.632 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.682 -14.124 -12.768 1.00 0.00 C ATOM 0 H THR A 45 -4.842 -10.278 -12.546 1.00 0.00 H new ATOM 0 HA THR A 45 -6.761 -12.246 -11.482 1.00 0.00 H new ATOM 0 HB THR A 45 -4.060 -13.131 -11.815 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.023 -12.880 -14.172 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.052 -14.765 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.952 -14.653 -11.854 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.587 -13.866 -13.318 1.00 0.00 H new ATOM 720 N PRO A 46 -5.526 -12.781 -9.262 1.00 0.00 N ATOM 721 CA PRO A 46 -5.024 -12.836 -7.889 1.00 0.00 C ATOM 722 C PRO A 46 -3.516 -12.601 -7.808 1.00 0.00 C ATOM 723 O PRO A 46 -3.003 -12.167 -6.776 1.00 0.00 O ATOM 724 CB PRO A 46 -5.376 -14.261 -7.427 1.00 0.00 C ATOM 725 CG PRO A 46 -5.947 -14.954 -8.624 1.00 0.00 C ATOM 726 CD PRO A 46 -6.467 -13.872 -9.524 1.00 0.00 C ATOM 0 HA PRO A 46 -5.464 -12.056 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.492 -14.782 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.096 -14.239 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.186 -15.549 -9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.746 -15.637 -8.335 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.460 -14.174 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.492 -13.595 -9.279 1.00 0.00 H new ATOM 734 N GLU A 47 -2.811 -12.891 -8.897 1.00 0.00 N ATOM 735 CA GLU A 47 -1.365 -12.710 -8.940 1.00 0.00 C ATOM 736 C GLU A 47 -0.980 -11.444 -9.706 1.00 0.00 C ATOM 737 O GLU A 47 -0.105 -10.694 -9.275 1.00 0.00 O ATOM 738 CB GLU A 47 -0.700 -13.932 -9.580 1.00 0.00 C ATOM 739 CG GLU A 47 0.142 -14.744 -8.610 1.00 0.00 C ATOM 740 CD GLU A 47 1.607 -14.354 -8.641 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.925 -13.210 -8.253 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.436 -15.193 -9.052 1.00 0.00 O ATOM 0 H GLU A 47 -3.217 -13.252 -9.760 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.012 -12.601 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.472 -14.575 -10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.070 -13.602 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.244 -14.610 -7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.047 -15.803 -8.850 1.00 0.00 H new ATOM 749 N GLN A 48 -1.629 -11.213 -10.846 1.00 0.00 N ATOM 750 CA GLN A 48 -1.337 -10.040 -11.665 1.00 0.00 C ATOM 751 C GLN A 48 -2.028 -8.788 -11.130 1.00 0.00 C ATOM 752 O GLN A 48 -1.824 -7.691 -11.649 1.00 0.00 O ATOM 753 CB GLN A 48 -1.762 -10.288 -13.113 1.00 0.00 C ATOM 754 CG GLN A 48 -1.228 -11.589 -13.689 1.00 0.00 C ATOM 755 CD GLN A 48 0.287 -11.616 -13.763 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.943 -10.579 -13.664 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.850 -12.806 -13.936 1.00 0.00 N ATOM 0 H GLN A 48 -2.357 -11.820 -11.222 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.261 -9.872 -11.624 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.851 -10.296 -13.167 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.418 -9.459 -13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.573 -12.422 -13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.640 -11.736 -14.688 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.267 -13.640 -14.013 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.865 -12.887 -13.992 1.00 0.00 H new ATOM 766 N ALA A 49 -2.848 -8.947 -10.098 1.00 0.00 N ATOM 767 CA ALA A 49 -3.559 -7.817 -9.519 1.00 0.00 C ATOM 768 C ALA A 49 -2.587 -6.780 -8.977 1.00 0.00 C ATOM 769 O ALA A 49 -2.639 -5.611 -9.358 1.00 0.00 O ATOM 770 CB ALA A 49 -4.503 -8.289 -8.427 1.00 0.00 C ATOM 0 H ALA A 49 -3.036 -9.843 -9.648 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.147 -7.346 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.027 -7.432 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.228 -8.986 -8.848 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.933 -8.788 -7.644 1.00 0.00 H new ATOM 776 N VAL A 50 -1.699 -7.211 -8.093 1.00 0.00 N ATOM 777 CA VAL A 50 -0.714 -6.308 -7.510 1.00 0.00 C ATOM 778 C VAL A 50 0.435 -6.054 -8.480 1.00 0.00 C ATOM 779 O VAL A 50 0.873 -4.922 -8.654 1.00 0.00 O ATOM 780 CB VAL A 50 -0.141 -6.833 -6.162 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.058 -7.871 -5.532 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.265 -7.401 -6.339 1.00 0.00 C ATOM 0 H VAL A 50 -1.639 -8.175 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.241 -5.375 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.082 -5.980 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.626 -8.215 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.034 -7.426 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.171 -8.716 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.636 -7.759 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.237 -8.228 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.927 -6.622 -6.716 1.00 0.00 H new ATOM 792 N VAL A 51 0.930 -7.128 -9.086 1.00 0.00 N ATOM 793 CA VAL A 51 2.049 -7.041 -10.017 1.00 0.00 C ATOM 794 C VAL A 51 1.731 -6.150 -11.209 1.00 0.00 C ATOM 795 O VAL A 51 2.554 -5.329 -11.613 1.00 0.00 O ATOM 796 CB VAL A 51 2.461 -8.438 -10.524 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.706 -8.350 -11.394 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.687 -9.385 -9.355 1.00 0.00 C ATOM 0 H VAL A 51 0.572 -8.073 -8.948 1.00 0.00 H new ATOM 0 HA VAL A 51 2.877 -6.597 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 51 1.649 -8.834 -11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.979 -9.347 -11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.505 -7.709 -12.253 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.527 -7.931 -10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.977 -10.366 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.479 -8.993 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.767 -9.476 -8.777 1.00 0.00 H new ATOM 808 N ARG A 52 0.546 -6.318 -11.781 1.00 0.00 N ATOM 809 CA ARG A 52 0.157 -5.522 -12.936 1.00 0.00 C ATOM 810 C ARG A 52 -0.276 -4.122 -12.525 1.00 0.00 C ATOM 811 O ARG A 52 0.002 -3.146 -13.224 1.00 0.00 O ATOM 812 CB ARG A 52 -0.965 -6.209 -13.717 1.00 0.00 C ATOM 813 CG ARG A 52 -0.961 -5.881 -15.201 1.00 0.00 C ATOM 814 CD ARG A 52 -0.097 -6.856 -15.985 1.00 0.00 C ATOM 815 NE ARG A 52 -0.808 -8.095 -16.290 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.238 -9.159 -16.850 1.00 0.00 C ATOM 817 NH1 ARG A 52 1.051 -9.140 -17.166 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.957 -10.246 -17.093 1.00 0.00 N ATOM 0 H ARG A 52 -0.155 -6.990 -11.468 1.00 0.00 H new ATOM 0 HA ARG A 52 1.032 -5.433 -13.580 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.876 -7.288 -13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.925 -5.917 -13.291 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.981 -5.909 -15.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.592 -4.866 -15.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.228 -6.387 -16.914 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.802 -7.085 -15.412 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.800 -8.148 -16.060 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.610 -8.307 -16.980 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.483 -9.958 -17.595 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.948 -10.267 -16.851 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.520 -11.061 -17.522 1.00 0.00 H new ATOM 832 N GLU A 53 -0.953 -4.023 -11.390 1.00 0.00 N ATOM 833 CA GLU A 53 -1.416 -2.739 -10.894 1.00 0.00 C ATOM 834 C GLU A 53 -0.272 -1.967 -10.245 1.00 0.00 C ATOM 835 O GLU A 53 -0.311 -0.740 -10.162 1.00 0.00 O ATOM 836 CB GLU A 53 -2.559 -2.929 -9.897 1.00 0.00 C ATOM 837 CG GLU A 53 -3.178 -1.622 -9.430 1.00 0.00 C ATOM 838 CD GLU A 53 -4.446 -1.264 -10.180 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.851 -2.038 -11.073 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.037 -0.205 -9.871 1.00 0.00 O ATOM 0 H GLU A 53 -1.193 -4.817 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.786 -2.161 -11.741 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.332 -3.545 -10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.188 -3.476 -9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.400 -1.692 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.452 -0.819 -9.552 1.00 0.00 H new ATOM 847 N LEU A 54 0.756 -2.689 -9.794 1.00 0.00 N ATOM 848 CA LEU A 54 1.911 -2.054 -9.166 1.00 0.00 C ATOM 849 C LEU A 54 2.447 -0.950 -10.061 1.00 0.00 C ATOM 850 O LEU A 54 2.735 0.152 -9.602 1.00 0.00 O ATOM 851 CB LEU A 54 3.013 -3.080 -8.888 1.00 0.00 C ATOM 852 CG LEU A 54 3.459 -3.182 -7.427 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.258 -3.206 -6.489 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.322 -4.417 -7.225 1.00 0.00 C ATOM 0 H LEU A 54 0.810 -3.706 -9.852 1.00 0.00 H new ATOM 0 HA LEU A 54 1.592 -1.625 -8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.664 -4.060 -9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.881 -2.831 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 54 4.052 -2.299 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.603 -3.279 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.680 -2.290 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.631 -4.066 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.632 -4.477 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.750 -5.307 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.204 -4.353 -7.863 1.00 0.00 H new ATOM 866 N GLN A 55 2.549 -1.248 -11.352 1.00 0.00 N ATOM 867 CA GLN A 55 3.021 -0.269 -12.318 1.00 0.00 C ATOM 868 C GLN A 55 2.136 0.972 -12.258 1.00 0.00 C ATOM 869 O GLN A 55 2.581 2.087 -12.535 1.00 0.00 O ATOM 870 CB GLN A 55 3.007 -0.865 -13.729 1.00 0.00 C ATOM 871 CG GLN A 55 4.366 -0.849 -14.409 1.00 0.00 C ATOM 872 CD GLN A 55 5.163 -2.112 -14.149 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.562 -2.811 -15.080 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.398 -2.412 -12.876 1.00 0.00 N ATOM 0 H GLN A 55 2.312 -2.157 -11.750 1.00 0.00 H new ATOM 0 HA GLN A 55 4.046 0.010 -12.074 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.648 -1.893 -13.677 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.297 -0.310 -14.342 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.229 -0.725 -15.483 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.934 0.013 -14.058 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.048 -1.804 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.928 -3.251 -12.639 1.00 0.00 H new ATOM 883 N GLU A 56 0.877 0.760 -11.882 1.00 0.00 N ATOM 884 CA GLU A 56 -0.089 1.842 -11.764 1.00 0.00 C ATOM 885 C GLU A 56 0.127 2.639 -10.487 1.00 0.00 C ATOM 886 O GLU A 56 -0.171 3.830 -10.437 1.00 0.00 O ATOM 887 CB GLU A 56 -1.509 1.283 -11.765 1.00 0.00 C ATOM 888 CG GLU A 56 -2.565 2.293 -12.184 1.00 0.00 C ATOM 889 CD GLU A 56 -3.615 2.521 -11.112 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.321 2.261 -9.926 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.732 2.959 -11.460 1.00 0.00 O ATOM 0 H GLU A 56 0.503 -0.161 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 56 0.052 2.503 -12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.552 0.426 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.746 0.916 -10.766 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.082 3.241 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.052 1.947 -13.096 1.00 0.00 H new ATOM 898 N GLU A 57 0.618 1.972 -9.447 1.00 0.00 N ATOM 899 CA GLU A 57 0.837 2.633 -8.167 1.00 0.00 C ATOM 900 C GLU A 57 2.322 2.840 -7.870 1.00 0.00 C ATOM 901 O GLU A 57 2.685 3.296 -6.785 1.00 0.00 O ATOM 902 CB GLU A 57 0.185 1.836 -7.040 1.00 0.00 C ATOM 903 CG GLU A 57 -1.333 1.816 -7.120 1.00 0.00 C ATOM 904 CD GLU A 57 -1.879 0.479 -7.575 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.072 -0.432 -7.856 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.114 0.339 -7.646 1.00 0.00 O ATOM 0 H GLU A 57 0.869 0.984 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 57 0.375 3.618 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.557 0.812 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.486 2.261 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.747 2.058 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.666 2.593 -7.808 1.00 0.00 H new ATOM 913 N VAL A 58 3.177 2.516 -8.834 1.00 0.00 N ATOM 914 CA VAL A 58 4.613 2.685 -8.666 1.00 0.00 C ATOM 915 C VAL A 58 5.211 3.343 -9.903 1.00 0.00 C ATOM 916 O VAL A 58 6.004 4.279 -9.803 1.00 0.00 O ATOM 917 CB VAL A 58 5.297 1.321 -8.402 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.775 1.344 -8.762 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.119 0.915 -6.948 1.00 0.00 C ATOM 0 H VAL A 58 2.899 2.135 -9.739 1.00 0.00 H new ATOM 0 HA VAL A 58 4.786 3.329 -7.804 1.00 0.00 H new ATOM 0 HB VAL A 58 4.814 0.585 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.214 0.367 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.888 1.582 -9.820 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.283 2.100 -8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.605 -0.046 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.568 1.669 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.056 0.830 -6.722 1.00 0.00 H new ATOM 929 N GLY A 59 4.796 2.858 -11.067 1.00 0.00 N ATOM 930 CA GLY A 59 5.262 3.405 -12.327 1.00 0.00 C ATOM 931 C GLY A 59 6.739 3.193 -12.599 1.00 0.00 C ATOM 932 O GLY A 59 7.138 2.948 -13.737 1.00 0.00 O ATOM 0 H GLY A 59 4.136 2.086 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.688 2.955 -13.138 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.053 4.475 -12.343 1.00 0.00 H new ATOM 936 N ILE A 60 7.547 3.302 -11.565 1.00 0.00 N ATOM 937 CA ILE A 60 8.978 3.141 -11.681 1.00 0.00 C ATOM 938 C ILE A 60 9.370 1.675 -11.773 1.00 0.00 C ATOM 939 O ILE A 60 8.514 0.792 -11.822 1.00 0.00 O ATOM 940 CB ILE A 60 9.686 3.768 -10.474 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.081 3.260 -9.166 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.633 5.283 -10.544 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.919 3.581 -7.948 1.00 0.00 C ATOM 0 H ILE A 60 7.227 3.505 -10.618 1.00 0.00 H new ATOM 0 HA ILE A 60 9.286 3.645 -12.597 1.00 0.00 H new ATOM 0 HB ILE A 60 10.733 3.467 -10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.090 3.696 -9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.949 2.180 -9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.142 5.705 -9.677 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.126 5.623 -11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.593 5.611 -10.550 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.429 3.191 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.902 3.122 -8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.030 4.662 -7.857 1.00 0.00 H new ATOM 955 N THR A 61 10.676 1.424 -11.800 1.00 0.00 N ATOM 956 CA THR A 61 11.195 0.077 -11.887 1.00 0.00 C ATOM 957 C THR A 61 11.966 -0.277 -10.620 1.00 0.00 C ATOM 958 O THR A 61 13.171 -0.040 -10.533 1.00 0.00 O ATOM 959 CB THR A 61 12.123 -0.006 -13.086 1.00 0.00 C ATOM 960 OG1 THR A 61 12.644 1.274 -13.404 1.00 0.00 O ATOM 961 CG2 THR A 61 11.451 -0.545 -14.327 1.00 0.00 C ATOM 0 H THR A 61 11.394 2.148 -11.762 1.00 0.00 H new ATOM 0 HA THR A 61 10.369 -0.626 -11.998 1.00 0.00 H new ATOM 0 HB THR A 61 12.914 -0.696 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.241 1.201 -14.178 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.170 -0.578 -15.145 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.078 -1.550 -14.131 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.619 0.104 -14.601 1.00 0.00 H new ATOM 969 N PRO A 62 11.275 -0.805 -9.600 1.00 0.00 N ATOM 970 CA PRO A 62 11.865 -1.141 -8.324 1.00 0.00 C ATOM 971 C PRO A 62 11.908 -2.635 -8.039 1.00 0.00 C ATOM 972 O PRO A 62 10.980 -3.363 -8.395 1.00 0.00 O ATOM 973 CB PRO A 62 10.828 -0.501 -7.419 1.00 0.00 C ATOM 974 CG PRO A 62 9.524 -0.848 -8.075 1.00 0.00 C ATOM 975 CD PRO A 62 9.830 -1.058 -9.546 1.00 0.00 C ATOM 0 HA PRO A 62 12.902 -0.821 -8.227 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.884 -0.895 -6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.967 0.578 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.095 -1.748 -7.635 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.796 -0.048 -7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.581 -2.067 -9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.272 -0.370 -10.181 1.00 0.00 H new ATOM 983 N GLN A 63 12.940 -3.085 -7.329 1.00 0.00 N ATOM 984 CA GLN A 63 12.999 -4.483 -6.944 1.00 0.00 C ATOM 985 C GLN A 63 11.994 -4.643 -5.821 1.00 0.00 C ATOM 986 O GLN A 63 12.331 -4.592 -4.638 1.00 0.00 O ATOM 987 CB GLN A 63 14.402 -4.881 -6.488 1.00 0.00 C ATOM 988 CG GLN A 63 15.502 -4.330 -7.378 1.00 0.00 C ATOM 989 CD GLN A 63 16.886 -4.566 -6.807 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.693 -3.640 -6.702 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.171 -5.809 -6.437 1.00 0.00 N ATOM 0 H GLN A 63 13.726 -2.515 -7.017 1.00 0.00 H new ATOM 0 HA GLN A 63 12.766 -5.133 -7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.559 -4.529 -5.468 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.474 -5.968 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.435 -4.794 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.349 -3.260 -7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.473 -6.545 -6.542 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.088 -6.028 -6.048 1.00 0.00 H new ATOM 1000 N HIS A 64 10.743 -4.755 -6.228 1.00 0.00 N ATOM 1001 CA HIS A 64 9.627 -4.831 -5.303 1.00 0.00 C ATOM 1002 C HIS A 64 8.832 -6.111 -5.491 1.00 0.00 C ATOM 1003 O HIS A 64 8.552 -6.524 -6.617 1.00 0.00 O ATOM 1004 CB HIS A 64 8.758 -3.590 -5.550 1.00 0.00 C ATOM 1005 CG HIS A 64 7.337 -3.647 -5.045 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.676 -2.532 -4.570 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.436 -4.663 -4.982 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.439 -2.859 -4.237 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.270 -4.144 -4.477 1.00 0.00 N ATOM 0 H HIS A 64 10.472 -4.796 -7.210 1.00 0.00 H new ATOM 0 HA HIS A 64 9.985 -4.851 -4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.249 -2.733 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.731 -3.402 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.606 -5.688 -5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.694 -2.188 -3.837 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.411 -4.669 -4.314 1.00 0.00 H new ATOM 1018 N PHE A 65 8.469 -6.733 -4.373 1.00 0.00 N ATOM 1019 CA PHE A 65 7.704 -7.967 -4.392 1.00 0.00 C ATOM 1020 C PHE A 65 7.463 -8.464 -2.958 1.00 0.00 C ATOM 1021 O PHE A 65 7.122 -7.680 -2.074 1.00 0.00 O ATOM 1022 CB PHE A 65 8.464 -9.010 -5.213 1.00 0.00 C ATOM 1023 CG PHE A 65 7.577 -10.032 -5.865 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.450 -9.639 -6.570 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.870 -11.384 -5.777 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.632 -10.575 -7.174 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.056 -12.324 -6.380 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.935 -11.918 -7.079 1.00 0.00 C ATOM 0 H PHE A 65 8.697 -6.396 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 65 6.731 -7.793 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.043 -8.501 -5.983 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.176 -9.521 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.208 -8.589 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.744 -11.706 -5.231 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.756 -10.256 -7.720 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.296 -13.374 -6.305 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.297 -12.651 -7.550 1.00 0.00 H new ATOM 1038 N SER A 66 7.650 -9.763 -2.737 1.00 0.00 N ATOM 1039 CA SER A 66 7.474 -10.374 -1.426 1.00 0.00 C ATOM 1040 C SER A 66 6.086 -10.110 -0.861 1.00 0.00 C ATOM 1041 O SER A 66 5.350 -9.259 -1.355 1.00 0.00 O ATOM 1042 CB SER A 66 8.538 -9.858 -0.458 1.00 0.00 C ATOM 1043 OG SER A 66 9.162 -10.927 0.233 1.00 0.00 O ATOM 0 H SER A 66 7.928 -10.421 -3.465 1.00 0.00 H new ATOM 0 HA SER A 66 7.584 -11.452 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.288 -9.289 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.081 -9.175 0.259 1.00 0.00 H new ATOM 0 HG SER A 66 9.840 -10.570 0.844 1.00 0.00 H new ATOM 1049 N LEU A 67 5.742 -10.852 0.187 1.00 0.00 N ATOM 1050 CA LEU A 67 4.448 -10.708 0.835 1.00 0.00 C ATOM 1051 C LEU A 67 4.616 -10.538 2.343 1.00 0.00 C ATOM 1052 O LEU A 67 5.074 -11.449 3.033 1.00 0.00 O ATOM 1053 CB LEU A 67 3.562 -11.920 0.541 1.00 0.00 C ATOM 1054 CG LEU A 67 2.238 -11.955 1.308 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.110 -12.442 0.412 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.361 -12.838 2.540 1.00 0.00 C ATOM 0 H LEU A 67 6.345 -11.561 0.605 1.00 0.00 H new ATOM 0 HA LEU A 67 3.967 -9.816 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.346 -11.943 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.123 -12.826 0.772 1.00 0.00 H new ATOM 0 HG LEU A 67 2.002 -10.941 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.178 -12.459 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.006 -11.770 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.337 -13.447 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.411 -12.852 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.622 -13.852 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.139 -12.444 3.194 1.00 0.00 H new ATOM 1068 N PHE A 68 4.237 -9.369 2.846 1.00 0.00 N ATOM 1069 CA PHE A 68 4.335 -9.081 4.272 1.00 0.00 C ATOM 1070 C PHE A 68 3.207 -9.784 5.015 1.00 0.00 C ATOM 1071 O PHE A 68 3.438 -10.520 5.975 1.00 0.00 O ATOM 1072 CB PHE A 68 4.283 -7.559 4.498 1.00 0.00 C ATOM 1073 CG PHE A 68 3.537 -7.119 5.736 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.150 -7.062 5.749 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.226 -6.750 6.880 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.467 -6.649 6.874 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.547 -6.337 8.012 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.165 -6.285 8.009 1.00 0.00 C ATOM 0 H PHE A 68 3.859 -8.604 2.287 1.00 0.00 H new ATOM 0 HA PHE A 68 5.284 -9.452 4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.304 -7.181 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.818 -7.094 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.598 -7.345 4.865 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.305 -6.785 6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.388 -6.610 6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.096 -6.055 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.633 -5.961 8.891 1.00 0.00 H new ATOM 1088 N GLU A 69 1.990 -9.550 4.553 1.00 0.00 N ATOM 1089 CA GLU A 69 0.809 -10.149 5.148 1.00 0.00 C ATOM 1090 C GLU A 69 -0.410 -9.857 4.287 1.00 0.00 C ATOM 1091 O GLU A 69 -0.452 -8.854 3.579 1.00 0.00 O ATOM 1092 CB GLU A 69 0.593 -9.615 6.565 1.00 0.00 C ATOM 1093 CG GLU A 69 0.000 -10.639 7.518 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.786 -10.001 8.647 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.153 -9.444 9.568 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -2.032 -10.058 8.609 1.00 0.00 O ATOM 0 H GLU A 69 1.794 -8.942 3.758 1.00 0.00 H new ATOM 0 HA GLU A 69 0.955 -11.228 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.547 -9.270 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.066 -8.748 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.652 -11.312 6.962 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.802 -11.247 7.937 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.402 -10.727 4.348 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.615 -10.534 3.573 1.00 0.00 C ATOM 1105 C LYS A 70 -3.828 -11.006 4.371 1.00 0.00 C ATOM 1106 O LYS A 70 -3.837 -12.120 4.896 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.529 -11.284 2.240 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.393 -12.793 2.389 1.00 0.00 C ATOM 1109 CD LYS A 70 -0.990 -13.191 2.822 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.008 -13.985 4.119 1.00 0.00 C ATOM 1111 NZ LYS A 70 0.355 -14.136 4.699 1.00 0.00 N ATOM 0 H LYS A 70 -1.393 -11.570 4.923 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.726 -9.471 3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.421 -11.066 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.676 -10.906 1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.116 -13.153 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.632 -13.275 1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.521 -13.785 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.381 -12.296 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.656 -13.487 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.435 -14.971 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.308 -14.740 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.985 -14.573 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.726 -13.201 4.962 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.846 -10.161 4.470 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.050 -10.515 5.215 1.00 0.00 C ATOM 1127 C LEU A 71 -7.305 -10.235 4.400 1.00 0.00 C ATOM 1128 O LEU A 71 -7.285 -9.446 3.456 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.105 -9.753 6.541 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.680 -8.287 6.469 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.876 -7.399 6.162 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.018 -7.862 7.771 1.00 0.00 C ATOM 0 H LEU A 71 -4.864 -9.233 4.048 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.009 -11.584 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.123 -9.801 6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.467 -10.264 7.262 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.956 -8.176 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.554 -6.359 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.308 -7.689 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.624 -7.512 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.721 -6.815 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.721 -7.987 8.594 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.137 -8.478 7.949 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.398 -10.893 4.773 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.667 -10.724 4.079 1.00 0.00 C ATOM 1146 C GLU A 72 -10.810 -10.531 5.068 1.00 0.00 C ATOM 1147 O GLU A 72 -11.077 -11.397 5.902 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.947 -11.932 3.186 1.00 0.00 C ATOM 1149 CG GLU A 72 -9.273 -11.847 1.831 1.00 0.00 C ATOM 1150 CD GLU A 72 -8.039 -12.723 1.738 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -8.170 -13.953 1.907 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -6.940 -12.179 1.495 1.00 0.00 O ATOM 0 H GLU A 72 -8.429 -11.549 5.553 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.596 -9.830 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.612 -12.836 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.023 -12.027 3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.982 -12.141 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.995 -10.812 1.632 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.482 -9.392 4.963 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.601 -9.081 5.844 1.00 0.00 C ATOM 1161 C TYR A 73 -13.712 -8.377 5.072 1.00 0.00 C ATOM 1162 O TYR A 73 -13.448 -7.635 4.127 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.138 -8.208 7.012 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.402 -6.957 6.584 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.181 -7.035 5.926 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -11.928 -5.698 6.844 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.506 -5.894 5.539 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.259 -4.551 6.458 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.049 -4.656 5.807 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.378 -3.517 5.424 1.00 0.00 O ATOM 0 H TYR A 73 -11.272 -8.668 4.276 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.992 -10.018 6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.006 -7.922 7.607 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.488 -8.797 7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.753 -8.003 5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.875 -5.614 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.557 -5.972 5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.682 -3.579 6.665 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.413 -3.687 5.434 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.955 -8.615 5.478 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.099 -7.999 4.816 1.00 0.00 C ATOM 1182 C GLU A 74 -16.919 -7.163 5.790 1.00 0.00 C ATOM 1183 O GLU A 74 -17.563 -7.692 6.697 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.987 -9.064 4.167 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.277 -10.253 5.067 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.608 -11.509 4.286 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.822 -11.871 3.384 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.650 -12.132 4.576 1.00 0.00 O ATOM 0 H GLU A 74 -15.195 -9.227 6.258 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.712 -7.339 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.931 -8.606 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.506 -9.419 3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.412 -10.442 5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.110 -10.010 5.727 1.00 0.00 H new ATOM 1195 N PHE A 75 -16.899 -5.854 5.582 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.641 -4.924 6.413 1.00 0.00 C ATOM 1197 C PHE A 75 -19.141 -5.072 6.167 1.00 0.00 C ATOM 1198 O PHE A 75 -19.551 -5.647 5.161 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.196 -3.494 6.110 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.221 -2.939 7.111 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -14.917 -3.403 7.157 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.611 -1.953 8.003 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.019 -2.894 8.076 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.717 -1.441 8.924 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.419 -1.912 8.961 1.00 0.00 C ATOM 0 H PHE A 75 -16.368 -5.410 4.833 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.439 -5.147 7.461 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.741 -3.467 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.074 -2.849 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.598 -4.171 6.467 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.624 -1.581 7.978 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.005 -3.264 8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.033 -0.673 9.614 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.719 -1.513 9.680 1.00 0.00 H new ATOM 1215 N PRO A 76 -19.976 -4.555 7.084 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.433 -4.626 6.967 1.00 0.00 C ATOM 1217 C PRO A 76 -21.929 -4.152 5.605 1.00 0.00 C ATOM 1218 O PRO A 76 -22.362 -3.011 5.452 1.00 0.00 O ATOM 1219 CB PRO A 76 -21.945 -3.697 8.080 1.00 0.00 C ATOM 1220 CG PRO A 76 -20.742 -2.964 8.578 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.568 -3.854 8.301 1.00 0.00 C ATOM 0 HA PRO A 76 -21.792 -5.651 7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.695 -3.005 7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.416 -4.267 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.632 -2.005 8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -20.828 -2.753 9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.653 -3.282 8.151 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.381 -4.545 9.123 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.857 -5.052 4.626 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.291 -4.783 3.249 1.00 0.00 C ATOM 1231 C ASP A 77 -21.146 -4.250 2.386 1.00 0.00 C ATOM 1232 O ASP A 77 -21.375 -3.753 1.285 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.469 -3.801 3.211 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.548 -4.149 4.218 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.637 -5.333 4.608 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.304 -3.239 4.617 1.00 0.00 O ATOM 0 H ASP A 77 -21.494 -5.995 4.763 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.618 -5.737 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.104 -2.793 3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.900 -3.794 2.210 1.00 0.00 H new ATOM 1241 N ARG A 78 -19.914 -4.363 2.882 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.747 -3.898 2.135 1.00 0.00 C ATOM 1243 C ARG A 78 -17.601 -4.902 2.233 1.00 0.00 C ATOM 1244 O ARG A 78 -16.905 -4.961 3.245 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.289 -2.532 2.649 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.519 -1.724 1.614 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.183 -0.328 2.125 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.438 -0.357 3.385 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.682 0.649 3.826 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.561 1.760 3.110 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.049 0.547 4.990 1.00 0.00 N ATOM 0 H ARG A 78 -19.699 -4.770 3.792 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.036 -3.803 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.161 -1.962 2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.661 -2.675 3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.599 -2.248 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.109 -1.645 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.597 0.200 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.105 0.236 2.265 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.501 -1.197 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.048 1.847 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.981 2.527 3.452 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.141 -0.302 5.548 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.471 1.318 5.326 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.407 -5.688 1.179 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.341 -6.685 1.159 1.00 0.00 C ATOM 1267 C HIS A 79 -15.034 -6.074 0.667 1.00 0.00 C ATOM 1268 O HIS A 79 -14.919 -5.684 -0.495 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.734 -7.866 0.271 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.795 -9.028 0.369 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.744 -9.073 1.262 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.750 -10.193 -0.320 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.095 -10.214 1.118 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.685 -10.912 0.166 1.00 0.00 N ATOM 0 H HIS A 79 -17.971 -5.655 0.330 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.192 -7.042 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.737 -8.196 0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.778 -7.532 -0.766 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.425 -10.500 -1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.228 -10.523 1.683 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.397 -11.836 -0.157 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.052 -5.988 1.559 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.760 -5.419 1.219 1.00 0.00 C ATOM 1285 C ILE A 80 -11.640 -6.437 1.424 1.00 0.00 C ATOM 1286 O ILE A 80 -11.398 -6.893 2.542 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.465 -4.165 2.072 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -10.993 -3.771 1.966 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.837 -4.417 3.524 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.615 -2.581 2.822 1.00 0.00 C ATOM 0 H ILE A 80 -14.131 -6.307 2.525 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.799 -5.137 0.167 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.069 -3.342 1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.377 -4.623 2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.761 -3.546 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.624 -3.526 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.899 -4.652 3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.255 -5.254 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.555 -2.362 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.204 -1.714 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.814 -2.808 3.869 1.00 0.00 H new ATOM 1302 N THR A 81 -10.943 -6.762 0.343 1.00 0.00 N ATOM 1303 CA THR A 81 -9.827 -7.695 0.405 1.00 0.00 C ATOM 1304 C THR A 81 -8.525 -6.908 0.489 1.00 0.00 C ATOM 1305 O THR A 81 -8.214 -6.127 -0.406 1.00 0.00 O ATOM 1306 CB THR A 81 -9.823 -8.598 -0.833 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.746 -8.129 -1.800 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.177 -10.036 -0.528 1.00 0.00 C ATOM 0 H THR A 81 -11.132 -6.392 -0.589 1.00 0.00 H new ATOM 0 HA THR A 81 -9.928 -8.326 1.288 1.00 0.00 H new ATOM 0 HB THR A 81 -8.801 -8.563 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.845 -8.798 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.155 -10.619 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.456 -10.446 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.176 -10.081 -0.094 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.773 -7.086 1.571 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.525 -6.347 1.738 1.00 0.00 C ATOM 1318 C LEU A 82 -5.303 -7.258 1.704 1.00 0.00 C ATOM 1319 O LEU A 82 -5.105 -8.087 2.592 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.543 -5.560 3.053 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.876 -4.175 3.014 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.698 -4.144 2.048 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.890 -3.105 2.647 1.00 0.00 C ATOM 0 H LEU A 82 -8.000 -7.724 2.334 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.449 -5.658 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.580 -5.434 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.050 -6.158 3.819 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.491 -3.968 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.253 -3.149 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.952 -4.875 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.045 -4.386 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.400 -2.132 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.310 -3.323 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.689 -3.092 3.388 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.475 -7.078 0.678 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.255 -7.859 0.529 1.00 0.00 C ATOM 1337 C TRP A 83 -2.041 -6.960 0.688 1.00 0.00 C ATOM 1338 O TRP A 83 -1.878 -5.986 -0.045 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.202 -8.545 -0.840 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.315 -9.517 -1.062 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.603 -9.374 -0.657 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.239 -10.777 -1.737 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.343 -10.466 -1.037 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.528 -11.343 -1.703 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.211 -11.481 -2.370 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.814 -12.580 -2.277 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.495 -12.709 -2.938 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.788 -13.247 -2.888 1.00 0.00 C ATOM 0 H TRP A 83 -4.630 -6.395 -0.064 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.251 -8.626 1.303 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.233 -7.785 -1.620 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.250 -9.066 -0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.989 -8.524 -0.114 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.337 -10.602 -0.854 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.212 -11.073 -2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.810 -12.997 -2.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.708 -13.263 -3.428 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.978 -14.209 -3.341 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.189 -7.295 1.641 1.00 0.00 N ATOM 1360 CA PHE A 84 0.017 -6.507 1.882 1.00 0.00 C ATOM 1361 C PHE A 84 1.265 -7.248 1.392 1.00 0.00 C ATOM 1362 O PHE A 84 1.434 -8.440 1.647 1.00 0.00 O ATOM 1363 CB PHE A 84 0.155 -6.134 3.367 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.551 -4.857 3.758 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.446 -4.239 2.893 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.321 -4.275 4.997 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.091 -3.073 3.258 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.966 -3.109 5.363 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.852 -2.509 4.492 1.00 0.00 C ATOM 0 H PHE A 84 -1.304 -8.099 2.258 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.076 -5.582 1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.237 -6.951 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.214 -6.038 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.640 -4.675 1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.371 -4.739 5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.783 -2.603 2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.777 -2.668 6.330 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.358 -1.598 4.777 1.00 0.00 H new ATOM 1379 N TRP A 85 2.123 -6.530 0.666 1.00 0.00 N ATOM 1380 CA TRP A 85 3.348 -7.105 0.107 1.00 0.00 C ATOM 1381 C TRP A 85 4.594 -6.410 0.658 1.00 0.00 C ATOM 1382 O TRP A 85 4.552 -5.226 0.995 1.00 0.00 O ATOM 1383 CB TRP A 85 3.313 -7.016 -1.419 1.00 0.00 C ATOM 1384 CG TRP A 85 2.135 -7.725 -2.014 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.817 -7.475 -1.762 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.165 -8.807 -2.953 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.026 -8.333 -2.486 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.830 -9.158 -3.228 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.190 -9.509 -3.592 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.495 -10.181 -4.110 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.856 -10.525 -4.468 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.519 -10.852 -4.721 1.00 0.00 C ATOM 0 H TRP A 85 1.991 -5.542 0.450 1.00 0.00 H new ATOM 0 HA TRP A 85 3.400 -8.153 0.403 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.289 -5.968 -1.717 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.231 -7.442 -1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.450 -6.713 -1.091 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.994 -8.353 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.225 -9.262 -3.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.536 -10.436 -4.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.640 -11.076 -4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.291 -11.650 -5.412 1.00 0.00 H new ATOM 1403 N LEU A 86 5.700 -7.153 0.771 1.00 0.00 N ATOM 1404 CA LEU A 86 6.939 -6.589 1.308 1.00 0.00 C ATOM 1405 C LEU A 86 7.948 -6.251 0.208 1.00 0.00 C ATOM 1406 O LEU A 86 8.620 -7.125 -0.338 1.00 0.00 O ATOM 1407 CB LEU A 86 7.572 -7.552 2.321 1.00 0.00 C ATOM 1408 CG LEU A 86 8.400 -6.908 3.449 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.778 -7.546 3.525 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.533 -5.400 3.263 1.00 0.00 C ATOM 0 H LEU A 86 5.761 -8.135 0.501 1.00 0.00 H new ATOM 0 HA LEU A 86 6.674 -5.657 1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.776 -8.143 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.214 -8.246 1.778 1.00 0.00 H new ATOM 0 HG LEU A 86 7.869 -7.084 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.351 -7.080 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.675 -8.612 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.298 -7.403 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.124 -4.983 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.028 -5.193 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.543 -4.945 3.263 1.00 0.00 H new ATOM 1422 N VAL A 87 8.050 -4.961 -0.081 1.00 0.00 N ATOM 1423 CA VAL A 87 8.971 -4.431 -1.087 1.00 0.00 C ATOM 1424 C VAL A 87 10.372 -4.327 -0.536 1.00 0.00 C ATOM 1425 O VAL A 87 10.549 -4.082 0.658 1.00 0.00 O ATOM 1426 CB VAL A 87 8.549 -3.042 -1.539 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.330 -2.603 -2.763 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.054 -3.015 -1.793 1.00 0.00 C ATOM 0 H VAL A 87 7.491 -4.242 0.379 1.00 0.00 H new ATOM 0 HA VAL A 87 8.947 -5.123 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 87 8.776 -2.331 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.006 -1.606 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.394 -2.584 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.151 -3.303 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.758 -2.017 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.804 -3.738 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.524 -3.271 -0.875 1.00 0.00 H new ATOM 1438 N GLU A 88 11.373 -4.540 -1.381 1.00 0.00 N ATOM 1439 CA GLU A 88 12.745 -4.481 -0.897 1.00 0.00 C ATOM 1440 C GLU A 88 13.572 -3.330 -1.483 1.00 0.00 C ATOM 1441 O GLU A 88 14.557 -2.915 -0.872 1.00 0.00 O ATOM 1442 CB GLU A 88 13.461 -5.810 -1.156 1.00 0.00 C ATOM 1443 CG GLU A 88 12.539 -7.019 -1.138 1.00 0.00 C ATOM 1444 CD GLU A 88 13.275 -8.318 -1.407 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.123 -8.703 -0.575 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.003 -8.949 -2.450 1.00 0.00 O ATOM 0 H GLU A 88 11.267 -4.749 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 88 12.667 -4.290 0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.960 -5.760 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.238 -5.946 -0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.045 -7.080 -0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.758 -6.887 -1.886 1.00 0.00 H new ATOM 1453 N ARG A 89 13.210 -2.818 -2.658 1.00 0.00 N ATOM 1454 CA ARG A 89 13.985 -1.734 -3.261 1.00 0.00 C ATOM 1455 C ARG A 89 13.188 -1.018 -4.346 1.00 0.00 C ATOM 1456 O ARG A 89 12.219 -1.559 -4.874 1.00 0.00 O ATOM 1457 CB ARG A 89 15.299 -2.301 -3.825 1.00 0.00 C ATOM 1458 CG ARG A 89 15.966 -1.444 -4.896 1.00 0.00 C ATOM 1459 CD ARG A 89 16.675 -0.242 -4.291 1.00 0.00 C ATOM 1460 NE ARG A 89 18.125 -0.422 -4.256 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.907 -0.350 -5.331 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.384 -0.101 -6.525 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.215 -0.526 -5.211 1.00 0.00 N ATOM 0 H ARG A 89 12.404 -3.127 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 89 14.214 -0.995 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.001 -2.438 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.101 -3.288 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.683 -2.048 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.216 -1.103 -5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.434 0.650 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.306 -0.075 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 89 18.563 -0.614 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.378 0.036 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.988 -0.047 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.622 -0.717 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.815 -0.471 -6.034 1.00 0.00 H new ATOM 1477 N TRP A 90 13.615 0.198 -4.685 1.00 0.00 N ATOM 1478 CA TRP A 90 12.948 0.975 -5.720 1.00 0.00 C ATOM 1479 C TRP A 90 13.884 2.023 -6.321 1.00 0.00 C ATOM 1480 O TRP A 90 14.475 2.827 -5.600 1.00 0.00 O ATOM 1481 CB TRP A 90 11.668 1.614 -5.160 1.00 0.00 C ATOM 1482 CG TRP A 90 11.839 2.995 -4.608 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.104 4.135 -5.311 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.730 3.386 -3.235 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.171 5.208 -4.460 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.942 4.777 -3.181 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.473 2.697 -2.046 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.904 5.489 -1.989 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.436 3.407 -0.861 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.648 4.791 -0.841 1.00 0.00 C ATOM 0 H TRP A 90 14.417 0.662 -4.258 1.00 0.00 H new ATOM 0 HA TRP A 90 12.666 0.301 -6.529 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.919 1.646 -5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.273 0.971 -4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.241 4.184 -6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.361 6.172 -4.735 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.307 1.630 -2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.071 6.556 -1.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.240 2.886 0.065 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.609 5.318 0.101 1.00 0.00 H new ATOM 1501 N GLU A 91 14.021 2.003 -7.650 1.00 0.00 N ATOM 1502 CA GLU A 91 14.889 2.949 -8.340 1.00 0.00 C ATOM 1503 C GLU A 91 14.262 4.340 -8.390 1.00 0.00 C ATOM 1504 O GLU A 91 13.057 4.481 -8.597 1.00 0.00 O ATOM 1505 CB GLU A 91 15.182 2.459 -9.760 1.00 0.00 C ATOM 1506 CG GLU A 91 16.147 3.351 -10.524 1.00 0.00 C ATOM 1507 CD GLU A 91 16.925 2.594 -11.583 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.611 1.613 -11.227 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.848 2.982 -12.767 1.00 0.00 O ATOM 0 H GLU A 91 13.542 1.343 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 91 15.823 3.015 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.594 1.451 -9.710 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.245 2.393 -10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.591 4.161 -10.996 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.845 3.809 -9.823 1.00 0.00 H new ATOM 1516 N GLY A 92 15.091 5.363 -8.202 1.00 0.00 N ATOM 1517 CA GLY A 92 14.605 6.731 -8.231 1.00 0.00 C ATOM 1518 C GLY A 92 13.480 6.975 -7.244 1.00 0.00 C ATOM 1519 O GLY A 92 13.590 6.628 -6.068 1.00 0.00 O ATOM 0 H GLY A 92 16.092 5.268 -8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.429 7.409 -8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.258 6.967 -9.237 1.00 0.00 H new ATOM 1523 N GLU A 93 12.393 7.571 -7.725 1.00 0.00 N ATOM 1524 CA GLU A 93 11.239 7.861 -6.881 1.00 0.00 C ATOM 1525 C GLU A 93 9.991 7.170 -7.427 1.00 0.00 C ATOM 1526 O GLU A 93 9.755 7.178 -8.634 1.00 0.00 O ATOM 1527 CB GLU A 93 11.007 9.370 -6.799 1.00 0.00 C ATOM 1528 CG GLU A 93 10.518 9.838 -5.438 1.00 0.00 C ATOM 1529 CD GLU A 93 10.826 11.299 -5.177 1.00 0.00 C ATOM 1530 OE1 GLU A 93 10.330 12.155 -5.939 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.564 11.587 -4.212 1.00 0.00 O ATOM 0 H GLU A 93 12.287 7.863 -8.697 1.00 0.00 H new ATOM 0 HA GLU A 93 11.441 7.480 -5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.937 9.886 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.278 9.659 -7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.442 9.680 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.980 9.229 -4.661 1.00 0.00 H new ATOM 1538 N PRO A 94 9.165 6.568 -6.550 1.00 0.00 N ATOM 1539 CA PRO A 94 7.942 5.880 -6.961 1.00 0.00 C ATOM 1540 C PRO A 94 6.835 6.864 -7.301 1.00 0.00 C ATOM 1541 O PRO A 94 6.537 7.765 -6.516 1.00 0.00 O ATOM 1542 CB PRO A 94 7.557 5.041 -5.727 1.00 0.00 C ATOM 1543 CG PRO A 94 8.682 5.208 -4.755 1.00 0.00 C ATOM 1544 CD PRO A 94 9.337 6.511 -5.098 1.00 0.00 C ATOM 0 HA PRO A 94 8.090 5.280 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.615 5.385 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.422 3.993 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.313 5.215 -3.729 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.390 4.383 -4.833 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.858 7.352 -4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.388 6.527 -4.811 1.00 0.00 H new ATOM 1552 N TRP A 95 6.229 6.702 -8.471 1.00 0.00 N ATOM 1553 CA TRP A 95 5.163 7.600 -8.885 1.00 0.00 C ATOM 1554 C TRP A 95 3.855 6.863 -9.111 1.00 0.00 C ATOM 1555 O TRP A 95 2.847 7.153 -8.466 1.00 0.00 O ATOM 1556 CB TRP A 95 5.548 8.362 -10.158 1.00 0.00 C ATOM 1557 CG TRP A 95 6.110 7.508 -11.267 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.419 7.191 -11.463 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.386 6.880 -12.337 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.564 6.427 -12.600 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.330 6.223 -13.152 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.034 6.811 -12.689 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 5.965 5.515 -14.296 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 3.675 6.105 -13.821 1.00 0.00 C ATOM 1565 CH2 TRP A 95 4.637 5.470 -14.616 1.00 0.00 C ATOM 0 H TRP A 95 6.455 5.967 -9.141 1.00 0.00 H new ATOM 0 HA TRP A 95 5.019 8.310 -8.071 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.667 8.883 -10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.283 9.124 -9.899 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.230 7.496 -10.818 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.446 6.072 -12.969 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.284 7.301 -12.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.705 5.020 -14.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.633 6.042 -14.098 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.323 4.934 -15.500 1.00 0.00 H new ATOM 1576 N GLY A 96 3.873 5.917 -10.038 1.00 0.00 N ATOM 1577 CA GLY A 96 2.673 5.156 -10.348 1.00 0.00 C ATOM 1578 C GLY A 96 1.434 6.029 -10.481 1.00 0.00 C ATOM 1579 O GLY A 96 1.248 6.707 -11.491 1.00 0.00 O ATOM 0 H GLY A 96 4.696 5.660 -10.583 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.827 4.608 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.507 4.415 -9.566 1.00 0.00 H new ATOM 1583 N LYS A 97 0.584 6.005 -9.454 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.648 6.794 -9.452 1.00 0.00 C ATOM 1585 C LYS A 97 -1.527 6.440 -8.250 1.00 0.00 C ATOM 1586 O LYS A 97 -2.753 6.405 -8.356 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.431 6.573 -10.752 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.742 7.859 -11.500 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.931 7.688 -12.431 1.00 0.00 C ATOM 1590 CE LYS A 97 -4.247 7.777 -11.676 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.871 9.123 -11.804 1.00 0.00 N ATOM 0 H LYS A 97 0.726 5.447 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.369 7.845 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.859 5.913 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.365 6.061 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.950 8.656 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.869 8.167 -12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.902 8.455 -13.205 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.864 6.724 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.935 7.021 -12.055 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.077 7.554 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.766 9.142 -11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.226 9.843 -11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.057 9.325 -12.807 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.895 6.183 -7.109 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.621 5.837 -5.889 1.00 0.00 C ATOM 1607 C GLU A 98 -2.582 6.955 -5.496 1.00 0.00 C ATOM 1608 O GLU A 98 -3.756 6.709 -5.220 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.636 5.572 -4.747 1.00 0.00 C ATOM 1610 CG GLU A 98 0.673 4.944 -5.203 1.00 0.00 C ATOM 1611 CD GLU A 98 1.841 5.908 -5.131 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.687 7.062 -5.583 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.909 5.508 -4.622 1.00 0.00 O ATOM 0 H GLU A 98 0.119 6.208 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.200 4.933 -6.080 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.420 6.512 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.109 4.916 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.888 4.073 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.563 4.589 -6.228 1.00 0.00 H new ATOM 1620 N GLY A 99 -2.076 8.186 -5.473 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.908 9.319 -5.114 1.00 0.00 C ATOM 1622 C GLY A 99 -2.102 10.569 -4.811 1.00 0.00 C ATOM 1623 O GLY A 99 -2.032 11.484 -5.632 1.00 0.00 O ATOM 0 H GLY A 99 -1.108 8.417 -5.696 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.601 9.528 -5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.510 9.060 -4.243 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.500 10.611 -3.627 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.704 11.762 -3.210 1.00 0.00 C ATOM 1629 C GLN A 100 0.743 11.370 -2.954 1.00 0.00 C ATOM 1630 O GLN A 100 1.028 10.483 -2.150 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.303 12.393 -1.953 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.711 11.378 -0.897 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.059 10.746 -1.187 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.059 11.442 -1.362 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.092 9.420 -1.237 1.00 0.00 N ATOM 0 H GLN A 100 -1.548 9.861 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.721 12.490 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.577 13.082 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.175 12.984 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.953 10.597 -0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.744 11.866 0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.238 8.883 -1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.971 8.939 -1.427 1.00 0.00 H new ATOM 1644 N PRO A 101 1.683 12.041 -3.637 1.00 0.00 N ATOM 1645 CA PRO A 101 3.115 11.778 -3.490 1.00 0.00 C ATOM 1646 C PRO A 101 3.533 11.596 -2.032 1.00 0.00 C ATOM 1647 O PRO A 101 2.972 12.222 -1.133 1.00 0.00 O ATOM 1648 CB PRO A 101 3.729 13.047 -4.066 1.00 0.00 C ATOM 1649 CG PRO A 101 2.793 13.439 -5.148 1.00 0.00 C ATOM 1650 CD PRO A 101 1.424 13.118 -4.619 1.00 0.00 C ATOM 0 HA PRO A 101 3.426 10.856 -3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.815 13.828 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.732 12.866 -4.452 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.886 14.499 -5.384 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.000 12.889 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.960 13.986 -4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.754 12.787 -5.412 1.00 0.00 H new ATOM 1658 N GLY A 102 4.513 10.727 -1.807 1.00 0.00 N ATOM 1659 CA GLY A 102 4.985 10.469 -0.458 1.00 0.00 C ATOM 1660 C GLY A 102 6.478 10.693 -0.301 1.00 0.00 C ATOM 1661 O GLY A 102 7.174 11.007 -1.267 1.00 0.00 O ATOM 0 H GLY A 102 4.990 10.196 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.451 11.115 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.746 9.441 -0.186 1.00 0.00 H new ATOM 1665 N GLU A 103 6.972 10.528 0.923 1.00 0.00 N ATOM 1666 CA GLU A 103 8.392 10.706 1.213 1.00 0.00 C ATOM 1667 C GLU A 103 8.960 9.456 1.881 1.00 0.00 C ATOM 1668 O GLU A 103 8.219 8.672 2.473 1.00 0.00 O ATOM 1669 CB GLU A 103 8.603 11.923 2.116 1.00 0.00 C ATOM 1670 CG GLU A 103 9.869 12.703 1.800 1.00 0.00 C ATOM 1671 CD GLU A 103 9.934 13.145 0.351 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.049 13.916 -0.075 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.871 12.721 -0.358 1.00 0.00 O ATOM 0 H GLU A 103 6.408 10.270 1.733 1.00 0.00 H new ATOM 0 HA GLU A 103 8.917 10.871 0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.744 12.587 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.639 11.593 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.923 13.579 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.738 12.086 2.027 1.00 0.00 H new ATOM 1680 N TRP A 104 10.275 9.269 1.784 1.00 0.00 N ATOM 1681 CA TRP A 104 10.915 8.101 2.386 1.00 0.00 C ATOM 1682 C TRP A 104 10.876 8.201 3.908 1.00 0.00 C ATOM 1683 O TRP A 104 11.606 8.990 4.508 1.00 0.00 O ATOM 1684 CB TRP A 104 12.370 7.966 1.904 1.00 0.00 C ATOM 1685 CG TRP A 104 12.590 8.453 0.502 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.680 8.462 -0.516 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.799 9.003 -0.034 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.250 8.983 -1.653 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.550 9.323 -1.382 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.068 9.257 0.495 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.522 9.883 -2.207 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.032 9.813 -0.325 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.755 10.121 -1.663 1.00 0.00 C ATOM 0 H TRP A 104 10.912 9.903 1.301 1.00 0.00 H new ATOM 0 HA TRP A 104 10.364 7.213 2.075 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.020 8.523 2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.668 6.919 1.966 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.661 8.111 -0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.782 9.098 -2.552 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.291 9.023 1.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.310 10.121 -3.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.016 10.013 0.073 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.530 10.555 -2.278 1.00 0.00 H new ATOM 1704 N MET A 105 10.017 7.396 4.523 1.00 0.00 N ATOM 1705 CA MET A 105 9.874 7.387 5.976 1.00 0.00 C ATOM 1706 C MET A 105 10.188 6.010 6.550 1.00 0.00 C ATOM 1707 O MET A 105 10.199 5.015 5.828 1.00 0.00 O ATOM 1708 CB MET A 105 8.459 7.810 6.376 1.00 0.00 C ATOM 1709 CG MET A 105 7.369 7.175 5.528 1.00 0.00 C ATOM 1710 SD MET A 105 5.740 7.876 5.853 1.00 0.00 S ATOM 1711 CE MET A 105 5.397 8.675 4.287 1.00 0.00 C ATOM 0 H MET A 105 9.407 6.739 4.037 1.00 0.00 H new ATOM 0 HA MET A 105 10.588 8.101 6.387 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.293 7.548 7.421 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.379 8.895 6.302 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.612 7.305 4.473 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.344 6.102 5.720 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.331 8.890 4.214 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.960 9.606 4.223 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.691 8.016 3.470 1.00 0.00 H new ATOM 1721 N SER A 106 10.429 5.958 7.857 1.00 0.00 N ATOM 1722 CA SER A 106 10.727 4.699 8.527 1.00 0.00 C ATOM 1723 C SER A 106 9.439 3.942 8.838 1.00 0.00 C ATOM 1724 O SER A 106 8.614 4.399 9.628 1.00 0.00 O ATOM 1725 CB SER A 106 11.509 4.954 9.818 1.00 0.00 C ATOM 1726 OG SER A 106 10.646 5.361 10.865 1.00 0.00 O ATOM 0 H SER A 106 10.423 6.772 8.471 1.00 0.00 H new ATOM 0 HA SER A 106 11.338 4.091 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.039 4.048 10.111 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.263 5.722 9.645 1.00 0.00 H new ATOM 0 HG SER A 106 9.730 5.435 10.524 1.00 0.00 H new ATOM 1732 N LEU A 107 9.271 2.783 8.207 1.00 0.00 N ATOM 1733 CA LEU A 107 8.079 1.966 8.413 1.00 0.00 C ATOM 1734 C LEU A 107 8.036 1.387 9.825 1.00 0.00 C ATOM 1735 O LEU A 107 6.979 0.971 10.300 1.00 0.00 O ATOM 1736 CB LEU A 107 8.023 0.839 7.379 1.00 0.00 C ATOM 1737 CG LEU A 107 6.656 0.632 6.723 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.668 0.047 7.721 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.131 1.944 6.159 1.00 0.00 C ATOM 0 H LEU A 107 9.944 2.389 7.550 1.00 0.00 H new ATOM 0 HA LEU A 107 7.208 2.610 8.288 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.756 1.045 6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.323 -0.092 7.861 1.00 0.00 H new ATOM 0 HG LEU A 107 6.773 -0.074 5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.702 -0.093 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.038 -0.914 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.556 0.729 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.158 1.778 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.030 2.672 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.828 2.324 5.412 1.00 0.00 H new ATOM 1751 N VAL A 108 9.185 1.363 10.494 1.00 0.00 N ATOM 1752 CA VAL A 108 9.271 0.833 11.851 1.00 0.00 C ATOM 1753 C VAL A 108 8.260 1.507 12.782 1.00 0.00 C ATOM 1754 O VAL A 108 7.933 0.974 13.843 1.00 0.00 O ATOM 1755 CB VAL A 108 10.688 1.011 12.432 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.052 2.485 12.522 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.797 0.342 13.794 1.00 0.00 C ATOM 0 H VAL A 108 10.070 1.705 10.118 1.00 0.00 H new ATOM 0 HA VAL A 108 9.040 -0.230 11.787 1.00 0.00 H new ATOM 0 HB VAL A 108 11.397 0.529 11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.056 2.587 12.935 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.022 2.929 11.527 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.340 2.997 13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.804 0.479 14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.077 0.790 14.478 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.588 -0.723 13.694 1.00 0.00 H new ATOM 1767 N GLY A 109 7.769 2.677 12.381 1.00 0.00 N ATOM 1768 CA GLY A 109 6.804 3.394 13.191 1.00 0.00 C ATOM 1769 C GLY A 109 5.764 4.104 12.349 1.00 0.00 C ATOM 1770 O GLY A 109 5.574 5.314 12.467 1.00 0.00 O ATOM 0 H GLY A 109 8.024 3.140 11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.308 2.696 13.865 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.324 4.122 13.813 1.00 0.00 H new ATOM 1774 N LEU A 110 5.092 3.342 11.494 1.00 0.00 N ATOM 1775 CA LEU A 110 4.061 3.890 10.616 1.00 0.00 C ATOM 1776 C LEU A 110 2.906 4.473 11.427 1.00 0.00 C ATOM 1777 O LEU A 110 2.632 4.033 12.544 1.00 0.00 O ATOM 1778 CB LEU A 110 3.545 2.810 9.662 1.00 0.00 C ATOM 1779 CG LEU A 110 2.221 3.135 8.972 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.145 2.461 7.611 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.054 2.712 9.850 1.00 0.00 C ATOM 0 H LEU A 110 5.242 2.339 11.389 1.00 0.00 H new ATOM 0 HA LEU A 110 4.507 4.694 10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.301 2.631 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.428 1.880 10.219 1.00 0.00 H new ATOM 0 HG LEU A 110 2.165 4.212 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.195 2.705 7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.964 2.813 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.222 1.381 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.116 2.949 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.107 1.639 10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.101 3.245 10.800 1.00 0.00 H new ATOM 1793 N ASN A 111 2.242 5.478 10.861 1.00 0.00 N ATOM 1794 CA ASN A 111 1.128 6.138 11.532 1.00 0.00 C ATOM 1795 C ASN A 111 -0.212 5.513 11.165 1.00 0.00 C ATOM 1796 O ASN A 111 -0.843 5.905 10.182 1.00 0.00 O ATOM 1797 CB ASN A 111 1.116 7.628 11.191 1.00 0.00 C ATOM 1798 CG ASN A 111 0.698 8.487 12.368 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.480 8.547 12.721 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.665 9.160 12.983 1.00 0.00 N ATOM 0 H ASN A 111 2.458 5.853 9.937 1.00 0.00 H new ATOM 0 HA ASN A 111 1.271 6.008 12.605 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.109 7.930 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.435 7.802 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.444 9.755 13.781 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.628 9.081 12.657 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.654 4.554 11.974 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.932 3.900 11.741 1.00 0.00 C ATOM 1809 C ALA A 112 -3.080 4.860 12.056 1.00 0.00 C ATOM 1810 O ALA A 112 -4.212 4.665 11.615 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.052 2.629 12.570 1.00 0.00 C ATOM 0 H ALA A 112 -0.147 4.216 12.792 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.989 3.620 10.689 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.016 2.159 12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.252 1.940 12.298 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.974 2.876 13.629 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.772 5.906 12.823 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.763 6.910 13.190 1.00 0.00 C ATOM 1819 C ASP A 113 -3.990 7.885 12.036 1.00 0.00 C ATOM 1820 O ASP A 113 -5.127 8.229 11.713 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.312 7.673 14.437 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.396 8.582 14.982 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.734 9.575 14.304 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.907 8.303 16.087 1.00 0.00 O ATOM 0 H ASP A 113 -1.841 6.078 13.202 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.702 6.401 13.408 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.017 6.961 15.208 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.430 8.267 14.197 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.893 8.325 11.420 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.961 9.261 10.302 1.00 0.00 C ATOM 1831 C ASP A 114 -3.612 8.609 9.089 1.00 0.00 C ATOM 1832 O ASP A 114 -4.427 9.225 8.403 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.564 9.762 9.942 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.433 11.266 10.088 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.321 11.990 9.592 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.443 11.718 10.700 1.00 0.00 O ATOM 0 H ASP A 114 -1.946 8.047 11.678 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.573 10.110 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.830 9.272 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.333 9.478 8.915 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.259 7.356 8.835 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.823 6.629 7.711 1.00 0.00 C ATOM 1843 C PHE A 115 -5.226 6.135 8.076 1.00 0.00 C ATOM 1844 O PHE A 115 -5.639 6.250 9.231 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.864 5.495 7.292 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.278 4.102 7.667 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.641 3.805 8.962 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.269 3.085 6.724 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.994 2.521 9.318 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.616 1.800 7.073 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.978 1.517 8.371 1.00 0.00 C ATOM 0 H PHE A 115 -2.588 6.826 9.391 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.933 7.281 6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.739 5.535 6.210 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.887 5.692 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.649 4.587 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.987 3.304 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.282 2.301 10.335 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.604 1.016 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.250 0.509 8.648 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.996 5.617 7.107 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.367 5.161 7.360 1.00 0.00 C ATOM 1863 C PRO A 116 -7.453 4.148 8.502 1.00 0.00 C ATOM 1864 O PRO A 116 -6.745 3.141 8.507 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.790 4.514 6.032 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.535 4.371 5.235 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.625 5.469 5.697 1.00 0.00 C ATOM 0 HA PRO A 116 -8.010 5.985 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.259 3.545 6.201 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.518 5.134 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.080 3.394 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.739 4.456 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.575 5.202 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.784 6.390 5.137 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.336 4.406 9.492 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.521 3.515 10.641 1.00 0.00 C ATOM 1877 C PRO A 117 -9.176 2.200 10.243 1.00 0.00 C ATOM 1878 O PRO A 117 -8.863 1.145 10.794 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.441 4.311 11.570 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.181 5.235 10.668 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.224 5.583 9.561 1.00 0.00 C ATOM 0 HA PRO A 117 -7.572 3.238 11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.123 3.654 12.110 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.869 4.861 12.318 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.079 4.760 10.273 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.502 6.129 11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.744 5.749 8.618 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.667 6.494 9.783 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.079 2.270 9.271 1.00 0.00 N ATOM 1890 CA ALA A 118 -10.767 1.080 8.786 1.00 0.00 C ATOM 1891 C ALA A 118 -9.814 0.181 8.008 1.00 0.00 C ATOM 1892 O ALA A 118 -10.145 -0.958 7.678 1.00 0.00 O ATOM 1893 CB ALA A 118 -11.961 1.473 7.931 1.00 0.00 C ATOM 0 H ALA A 118 -10.351 3.136 8.805 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.129 0.517 9.646 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.465 0.575 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.655 2.067 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.620 2.059 7.078 1.00 0.00 H new ATOM 1899 N ASN A 119 -8.630 0.703 7.730 1.00 0.00 N ATOM 1900 CA ASN A 119 -7.607 -0.029 7.005 1.00 0.00 C ATOM 1901 C ASN A 119 -6.452 -0.397 7.946 1.00 0.00 C ATOM 1902 O ASN A 119 -5.370 -0.780 7.501 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.118 0.845 5.848 1.00 0.00 C ATOM 1904 CG ASN A 119 -7.869 0.571 4.555 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -8.542 -0.451 4.420 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.768 1.490 3.599 1.00 0.00 N ATOM 0 H ASN A 119 -8.352 1.646 8.001 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.016 -0.958 6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.233 1.895 6.116 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.054 0.671 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.259 1.361 2.714 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.200 2.323 3.751 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.706 -0.263 9.254 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.719 -0.553 10.298 1.00 0.00 C ATOM 1915 C GLU A 120 -5.507 -2.050 10.552 1.00 0.00 C ATOM 1916 O GLU A 120 -4.419 -2.450 10.950 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.122 0.133 11.603 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.940 0.622 12.424 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.987 0.138 13.861 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.043 0.299 14.508 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -3.966 -0.399 14.340 1.00 0.00 O ATOM 0 H GLU A 120 -7.606 0.051 9.618 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.770 -0.161 9.933 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.769 0.979 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.708 -0.563 12.204 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.014 0.281 11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.920 1.712 12.412 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.529 -2.902 10.369 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.401 -4.342 10.633 1.00 0.00 C ATOM 1930 C PRO A 121 -5.101 -4.953 10.109 1.00 0.00 C ATOM 1931 O PRO A 121 -4.497 -5.801 10.769 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.590 -4.921 9.876 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.633 -3.862 9.971 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.896 -2.548 9.933 1.00 0.00 C ATOM 0 HA PRO A 121 -6.383 -4.552 11.702 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.335 -5.137 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.929 -5.856 10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.341 -3.936 9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.207 -3.961 10.893 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.898 -2.116 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.351 -1.814 10.598 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.679 -4.532 8.926 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.455 -5.051 8.322 1.00 0.00 C ATOM 1944 C VAL A 122 -2.215 -4.424 8.942 1.00 0.00 C ATOM 1945 O VAL A 122 -1.287 -5.124 9.351 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.411 -4.801 6.802 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.566 -5.862 6.113 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.807 -4.754 6.203 1.00 0.00 C ATOM 0 H VAL A 122 -5.164 -3.833 8.363 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.461 -6.124 8.513 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.951 -3.827 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.545 -5.671 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.550 -5.830 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.996 -6.846 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.737 -4.576 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -5.311 -5.704 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.375 -3.948 6.668 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.198 -3.098 8.989 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.066 -2.368 9.537 1.00 0.00 C ATOM 1960 C ILE A 123 -0.952 -2.558 11.046 1.00 0.00 C ATOM 1961 O ILE A 123 0.143 -2.515 11.604 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.150 -0.863 9.193 1.00 0.00 C ATOM 1963 CG1 ILE A 123 0.240 -0.334 8.851 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -1.765 -0.065 10.333 1.00 0.00 C ATOM 1965 CD1 ILE A 123 1.241 -0.519 9.968 1.00 0.00 C ATOM 0 H ILE A 123 -2.958 -2.507 8.653 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.168 -2.779 9.075 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.800 -0.744 8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.605 -0.841 7.958 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.168 0.726 8.609 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.809 0.989 10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.773 -0.431 10.531 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -1.155 -0.181 11.229 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.208 -0.122 9.659 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.897 0.011 10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.341 -1.580 10.195 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.086 -2.775 11.700 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.106 -2.975 13.142 1.00 0.00 C ATOM 1979 C ALA A 124 -1.160 -4.101 13.526 1.00 0.00 C ATOM 1980 O ALA A 124 -0.561 -4.087 14.601 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.519 -3.278 13.617 1.00 0.00 C ATOM 0 H ALA A 124 -3.003 -2.817 11.255 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.772 -2.058 13.628 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.516 -3.425 14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.174 -2.444 13.366 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.881 -4.183 13.129 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.015 -5.068 12.626 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.120 -6.194 12.864 1.00 0.00 C ATOM 1989 C LYS A 125 1.330 -5.716 12.896 1.00 0.00 C ATOM 1990 O LYS A 125 2.095 -6.071 13.794 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.302 -7.259 11.780 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.127 -8.452 12.232 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.251 -9.539 12.834 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.944 -10.230 13.998 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.124 -11.346 14.548 1.00 0.00 N ATOM 0 H LYS A 125 -1.503 -5.095 11.730 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.366 -6.636 13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.781 -6.804 10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.679 -7.608 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.864 -8.129 12.967 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.679 -8.856 11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.003 -10.274 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.689 -9.104 13.175 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.143 -9.503 14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.909 -10.616 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.599 -11.748 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.012 -12.084 13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.812 -10.986 14.823 1.00 0.00 H new ATOM 2009 N LEU A 126 1.696 -4.902 11.910 1.00 0.00 N ATOM 2010 CA LEU A 126 3.046 -4.357 11.812 1.00 0.00 C ATOM 2011 C LEU A 126 3.237 -3.190 12.777 1.00 0.00 C ATOM 2012 O LEU A 126 4.364 -2.831 13.117 1.00 0.00 O ATOM 2013 CB LEU A 126 3.328 -3.902 10.377 1.00 0.00 C ATOM 2014 CG LEU A 126 4.807 -3.720 10.020 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.341 -2.421 10.603 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.630 -4.905 10.505 1.00 0.00 C ATOM 0 H LEU A 126 1.070 -4.603 11.162 1.00 0.00 H new ATOM 0 HA LEU A 126 3.750 -5.144 12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.894 -4.630 9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.812 -2.957 10.206 1.00 0.00 H new ATOM 0 HG LEU A 126 4.892 -3.670 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.393 -2.309 10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.774 -1.581 10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.239 -2.440 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.677 -4.754 10.240 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.538 -4.993 11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.265 -5.818 10.035 1.00 0.00 H new ATOM 2028 N LYS A 127 2.132 -2.597 13.215 1.00 0.00 N ATOM 2029 CA LYS A 127 2.186 -1.473 14.141 1.00 0.00 C ATOM 2030 C LYS A 127 2.538 -1.952 15.535 1.00 0.00 C ATOM 2031 O LYS A 127 3.355 -1.346 16.228 1.00 0.00 O ATOM 2032 CB LYS A 127 0.846 -0.760 14.174 1.00 0.00 C ATOM 2033 CG LYS A 127 0.855 0.507 15.013 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.319 1.410 14.672 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.783 2.199 15.885 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.400 1.320 16.917 1.00 0.00 N ATOM 0 H LYS A 127 1.189 -2.876 12.944 1.00 0.00 H new ATOM 0 HA LYS A 127 2.956 -0.781 13.798 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.551 -0.510 13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.090 -1.441 14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.818 0.245 16.070 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.789 1.046 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.032 2.098 13.877 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.144 0.808 14.290 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.065 2.729 16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.505 2.954 15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.047 1.880 17.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.931 0.557 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.654 0.908 17.513 1.00 0.00 H new ATOM 2050 N ARG A 128 1.928 -3.059 15.931 1.00 0.00 N ATOM 2051 CA ARG A 128 2.189 -3.641 17.234 1.00 0.00 C ATOM 2052 C ARG A 128 3.638 -4.108 17.313 1.00 0.00 C ATOM 2053 O ARG A 128 4.134 -4.443 18.388 1.00 0.00 O ATOM 2054 CB ARG A 128 1.239 -4.811 17.495 1.00 0.00 C ATOM 2055 CG ARG A 128 1.503 -5.533 18.808 1.00 0.00 C ATOM 2056 CD ARG A 128 0.520 -6.671 19.024 1.00 0.00 C ATOM 2057 NE ARG A 128 0.513 -7.610 17.905 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.502 -8.463 17.648 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.577 -8.500 18.426 1.00 0.00 N ATOM 2060 NH2 ARG A 128 1.417 -9.283 16.609 1.00 0.00 N ATOM 0 H ARG A 128 1.249 -3.571 15.367 1.00 0.00 H new ATOM 0 HA ARG A 128 2.020 -2.883 17.999 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.213 -4.442 17.494 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.322 -5.525 16.675 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.520 -5.924 18.811 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.430 -4.826 19.634 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.776 -7.202 19.941 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.482 -6.263 19.161 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.297 -7.612 17.285 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.649 -7.872 19.227 1.00 0.00 H new ATOM 0 HH12 ARG A 128 3.331 -9.156 18.223 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.594 -9.260 16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.175 -9.937 16.412 1.00 0.00 H new ATOM 2074 N LEU A 129 4.318 -4.124 16.164 1.00 0.00 N ATOM 2075 CA LEU A 129 5.715 -4.549 16.123 1.00 0.00 C ATOM 2076 C LEU A 129 6.584 -3.620 16.969 1.00 0.00 C ATOM 2077 O LEU A 129 7.606 -4.036 17.514 1.00 0.00 O ATOM 2078 CB LEU A 129 6.219 -4.601 14.671 1.00 0.00 C ATOM 2079 CG LEU A 129 7.325 -3.603 14.312 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.951 -3.955 12.970 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.778 -2.181 14.295 1.00 0.00 C ATOM 0 H LEU A 129 3.928 -3.851 15.262 1.00 0.00 H new ATOM 0 HA LEU A 129 5.784 -5.552 16.543 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.585 -5.608 14.469 1.00 0.00 H new ATOM 0 HB3 LEU A 129 5.372 -4.430 14.006 1.00 0.00 H new ATOM 0 HG LEU A 129 8.101 -3.662 15.075 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.734 -3.234 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.382 -4.955 13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.186 -3.928 12.194 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.578 -1.487 14.038 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.981 -2.106 13.555 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.383 -1.931 15.280 1.00 0.00 H new