USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=12 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 73 TYR OH : rot -36:sc= -3.4! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.578 K(o=-4,f=-6.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 ASN : amide:sc= -8.12! C(o=-8.1!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.834 K(o=-0.83,f=-1.4) USER MOD Single : A 16 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.9!) USER MOD Single : A 21 THR OG1 : rot -38:sc= 0.477 USER MOD Single : A 31 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.0534 (180deg=-0.313) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -1.46 (180deg=-2.73!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 48 GLN : amide:sc= -0.0021 K(o=-0.0021,f=-0.75) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 63 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.01) USER MOD Single : A 64 HIS : no HD1:sc= -13.8! C(o=-14!,f=-12!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.0223 (180deg=-0.0223) USER MOD Single : A 79 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-5!) USER MOD Single : A 81 THR OG1 : rot -148:sc= -0.376 USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0114 (180deg=-0.108) USER MOD Single : A 100 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.18) USER MOD Single : A 105 MET CE :methyl 146:sc= -0.442 (180deg=-1.76!) USER MOD Single : A 106 SER OG : rot 39:sc= 0.56 USER MOD Single : A 111 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.5!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0526) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.755 -5.733 -2.291 1.00 0.00 N ATOM 21 CA LYS A 2 -20.652 -4.795 -2.475 1.00 0.00 C ATOM 22 C LYS A 2 -19.310 -5.480 -2.228 1.00 0.00 C ATOM 23 O LYS A 2 -19.095 -6.086 -1.180 1.00 0.00 O ATOM 24 CB LYS A 2 -20.812 -3.597 -1.537 1.00 0.00 C ATOM 25 CG LYS A 2 -21.177 -2.308 -2.255 1.00 0.00 C ATOM 26 CD LYS A 2 -22.453 -2.464 -3.067 1.00 0.00 C ATOM 27 CE LYS A 2 -22.758 -1.212 -3.872 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.994 -1.172 -5.150 1.00 0.00 N ATOM 0 HA LYS A 2 -20.673 -4.442 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.582 -3.823 -0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.881 -3.448 -0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.304 -1.508 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.360 -2.013 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.355 -3.316 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -23.287 -2.680 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.826 -1.170 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -22.517 -0.331 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.231 -0.302 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.974 -1.187 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.243 -1.999 -5.729 1.00 0.00 H new ATOM 42 N LYS A 3 -18.411 -5.374 -3.201 1.00 0.00 N ATOM 43 CA LYS A 3 -17.090 -5.980 -3.091 1.00 0.00 C ATOM 44 C LYS A 3 -16.021 -5.054 -3.662 1.00 0.00 C ATOM 45 O LYS A 3 -16.187 -4.493 -4.745 1.00 0.00 O ATOM 46 CB LYS A 3 -17.060 -7.326 -3.817 1.00 0.00 C ATOM 47 CG LYS A 3 -17.385 -7.227 -5.299 1.00 0.00 C ATOM 48 CD LYS A 3 -17.017 -8.504 -6.036 1.00 0.00 C ATOM 49 CE LYS A 3 -15.688 -8.368 -6.759 1.00 0.00 C ATOM 50 NZ LYS A 3 -15.863 -7.912 -8.166 1.00 0.00 N ATOM 0 H LYS A 3 -18.574 -4.874 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.878 -6.143 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.072 -7.771 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.772 -8.001 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.449 -7.026 -5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.847 -6.386 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.964 -9.331 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.799 -8.749 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.055 -7.660 -6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.171 -9.327 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.932 -7.832 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.446 -8.600 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.333 -6.985 -8.174 1.00 0.00 H new ATOM 64 N LEU A 4 -14.927 -4.895 -2.925 1.00 0.00 N ATOM 65 CA LEU A 4 -13.836 -4.031 -3.360 1.00 0.00 C ATOM 66 C LEU A 4 -12.485 -4.583 -2.910 1.00 0.00 C ATOM 67 O LEU A 4 -12.266 -4.828 -1.724 1.00 0.00 O ATOM 68 CB LEU A 4 -14.037 -2.617 -2.810 1.00 0.00 C ATOM 69 CG LEU A 4 -13.826 -2.468 -1.300 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.408 -2.008 -1.003 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.838 -1.494 -0.714 1.00 0.00 C ATOM 0 H LEU A 4 -14.772 -5.352 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.842 -3.997 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.352 -1.944 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.048 -2.290 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.976 -3.442 -0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.276 -1.908 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.699 -2.741 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.230 -1.045 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.673 -1.400 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.720 -0.519 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.847 -1.865 -0.895 1.00 0.00 H new ATOM 83 N GLN A 5 -11.583 -4.779 -3.868 1.00 0.00 N ATOM 84 CA GLN A 5 -10.255 -5.303 -3.572 1.00 0.00 C ATOM 85 C GLN A 5 -9.207 -4.205 -3.582 1.00 0.00 C ATOM 86 O GLN A 5 -9.303 -3.237 -4.336 1.00 0.00 O ATOM 87 CB GLN A 5 -9.868 -6.373 -4.584 1.00 0.00 C ATOM 88 CG GLN A 5 -10.942 -7.421 -4.770 1.00 0.00 C ATOM 89 CD GLN A 5 -10.454 -8.639 -5.527 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.542 -8.549 -6.350 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.059 -9.790 -5.252 1.00 0.00 N ATOM 0 H GLN A 5 -11.748 -4.583 -4.855 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.294 -5.737 -2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.659 -5.900 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.947 -6.857 -4.259 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.312 -7.731 -3.793 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.783 -6.980 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.810 -9.819 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.772 -10.644 -5.730 1.00 0.00 H new ATOM 100 N ILE A 6 -8.200 -4.378 -2.742 1.00 0.00 N ATOM 101 CA ILE A 6 -7.113 -3.427 -2.636 1.00 0.00 C ATOM 102 C ILE A 6 -5.804 -4.139 -2.318 1.00 0.00 C ATOM 103 O ILE A 6 -5.705 -4.861 -1.326 1.00 0.00 O ATOM 104 CB ILE A 6 -7.388 -2.377 -1.547 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.721 -1.672 -1.808 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.246 -1.375 -1.486 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.726 -0.825 -3.062 1.00 0.00 C ATOM 0 H ILE A 6 -8.116 -5.180 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.033 -2.923 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.456 -2.879 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.509 -2.421 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.961 -1.041 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.451 -0.636 -0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.317 -1.896 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.150 -0.874 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.703 -0.357 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.961 -0.053 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.517 -1.454 -3.927 1.00 0.00 H new ATOM 119 N ALA A 7 -4.796 -3.915 -3.150 1.00 0.00 N ATOM 120 CA ALA A 7 -3.490 -4.520 -2.937 1.00 0.00 C ATOM 121 C ALA A 7 -2.428 -3.440 -2.892 1.00 0.00 C ATOM 122 O ALA A 7 -2.318 -2.641 -3.812 1.00 0.00 O ATOM 123 CB ALA A 7 -3.176 -5.528 -4.030 1.00 0.00 C ATOM 0 H ALA A 7 -4.858 -3.320 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.501 -5.050 -1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.195 -5.967 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.931 -6.314 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.177 -5.027 -4.998 1.00 0.00 H new ATOM 129 N VAL A 8 -1.654 -3.409 -1.828 1.00 0.00 N ATOM 130 CA VAL A 8 -0.618 -2.400 -1.695 1.00 0.00 C ATOM 131 C VAL A 8 0.695 -3.021 -1.249 1.00 0.00 C ATOM 132 O VAL A 8 0.724 -4.136 -0.735 1.00 0.00 O ATOM 133 CB VAL A 8 -1.033 -1.280 -0.708 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.526 -1.337 -0.410 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.227 -1.355 0.583 1.00 0.00 C ATOM 0 H VAL A 8 -1.719 -4.063 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.481 -1.953 -2.680 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.817 -0.325 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.789 -0.540 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.087 -1.211 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.772 -2.301 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.541 -0.556 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.396 -2.320 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.833 -1.243 0.357 1.00 0.00 H new ATOM 145 N GLY A 9 1.777 -2.284 -1.445 1.00 0.00 N ATOM 146 CA GLY A 9 3.080 -2.766 -1.054 1.00 0.00 C ATOM 147 C GLY A 9 3.954 -1.661 -0.501 1.00 0.00 C ATOM 148 O GLY A 9 4.156 -0.638 -1.155 1.00 0.00 O ATOM 0 H GLY A 9 1.773 -1.357 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.966 -3.548 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.571 -3.220 -1.915 1.00 0.00 H new ATOM 152 N ILE A 10 4.485 -1.865 0.698 1.00 0.00 N ATOM 153 CA ILE A 10 5.354 -0.866 1.314 1.00 0.00 C ATOM 154 C ILE A 10 6.716 -0.892 0.639 1.00 0.00 C ATOM 155 O ILE A 10 7.480 -1.838 0.817 1.00 0.00 O ATOM 156 CB ILE A 10 5.539 -1.076 2.842 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.756 -2.293 3.346 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.116 0.175 3.600 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.851 -2.500 4.844 1.00 0.00 C ATOM 0 H ILE A 10 4.333 -2.703 1.259 1.00 0.00 H new ATOM 0 HA ILE A 10 4.869 0.100 1.178 1.00 0.00 H new ATOM 0 HB ILE A 10 6.597 -1.265 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.708 -2.180 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.124 -3.186 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.250 0.015 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.727 1.019 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.067 0.388 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.272 -3.379 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.894 -2.646 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.455 -1.624 5.358 1.00 0.00 H new ATOM 171 N ILE A 11 7.010 0.138 -0.150 1.00 0.00 N ATOM 172 CA ILE A 11 8.282 0.203 -0.864 1.00 0.00 C ATOM 173 C ILE A 11 9.435 0.463 0.092 1.00 0.00 C ATOM 174 O ILE A 11 9.432 1.438 0.836 1.00 0.00 O ATOM 175 CB ILE A 11 8.290 1.291 -1.958 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.887 1.496 -2.543 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.274 0.909 -3.056 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.887 2.234 -3.864 1.00 0.00 C ATOM 0 H ILE A 11 6.391 0.933 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 11 8.408 -0.769 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 11 8.604 2.233 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.413 0.524 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.280 2.050 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.277 1.680 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.274 0.816 -2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.977 -0.043 -3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.862 2.344 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.332 3.220 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.467 1.671 -4.595 1.00 0.00 H new ATOM 190 N ARG A 12 10.415 -0.431 0.066 1.00 0.00 N ATOM 191 CA ARG A 12 11.581 -0.320 0.935 1.00 0.00 C ATOM 192 C ARG A 12 12.690 0.493 0.285 1.00 0.00 C ATOM 193 O ARG A 12 13.151 0.170 -0.816 1.00 0.00 O ATOM 194 CB ARG A 12 12.110 -1.707 1.299 1.00 0.00 C ATOM 195 CG ARG A 12 11.765 -2.129 2.717 1.00 0.00 C ATOM 196 CD ARG A 12 13.012 -2.300 3.570 1.00 0.00 C ATOM 197 NE ARG A 12 12.889 -3.417 4.503 1.00 0.00 N ATOM 198 CZ ARG A 12 13.084 -4.690 4.167 1.00 0.00 C ATOM 199 NH1 ARG A 12 13.411 -5.013 2.922 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.953 -5.644 5.078 1.00 0.00 N ATOM 0 H ARG A 12 10.426 -1.244 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 12 11.263 0.198 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.703 -2.438 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.193 -1.719 1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.113 -1.383 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.209 -3.066 2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.874 -2.462 2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.199 -1.382 4.127 1.00 0.00 H new ATOM 0 HE ARG A 12 12.639 -3.209 5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.514 -4.284 2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.559 -5.990 2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.703 -5.403 6.037 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.103 -6.619 4.820 1.00 0.00 H new ATOM 214 N ASN A 13 13.109 1.540 0.989 1.00 0.00 N ATOM 215 CA ASN A 13 14.171 2.428 0.521 1.00 0.00 C ATOM 216 C ASN A 13 15.554 1.859 0.797 1.00 0.00 C ATOM 217 O ASN A 13 15.713 0.709 1.206 1.00 0.00 O ATOM 218 CB ASN A 13 14.070 3.809 1.156 1.00 0.00 C ATOM 219 CG ASN A 13 14.521 4.919 0.225 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.600 4.733 -0.990 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.829 6.079 0.792 1.00 0.00 N ATOM 0 H ASN A 13 12.724 1.797 1.898 1.00 0.00 H new ATOM 0 HA ASN A 13 14.034 2.516 -0.557 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.038 3.991 1.457 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.676 3.832 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.146 6.860 0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.749 6.190 1.803 1.00 0.00 H new ATOM 228 N GLU A 14 16.545 2.696 0.541 1.00 0.00 N ATOM 229 CA GLU A 14 17.950 2.344 0.719 1.00 0.00 C ATOM 230 C GLU A 14 18.404 2.460 2.180 1.00 0.00 C ATOM 231 O GLU A 14 19.580 2.255 2.481 1.00 0.00 O ATOM 232 CB GLU A 14 18.803 3.261 -0.161 1.00 0.00 C ATOM 233 CG GLU A 14 20.302 3.087 0.028 1.00 0.00 C ATOM 234 CD GLU A 14 21.074 3.235 -1.270 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.645 2.648 -2.285 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.107 3.936 -1.269 1.00 0.00 O ATOM 0 H GLU A 14 16.400 3.647 0.201 1.00 0.00 H new ATOM 0 HA GLU A 14 18.075 1.301 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.556 3.076 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.539 4.297 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.662 3.823 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.499 2.103 0.454 1.00 0.00 H new ATOM 243 N ASN A 15 17.488 2.793 3.083 1.00 0.00 N ATOM 244 CA ASN A 15 17.842 2.934 4.494 1.00 0.00 C ATOM 245 C ASN A 15 16.756 2.364 5.401 1.00 0.00 C ATOM 246 O ASN A 15 16.276 3.039 6.311 1.00 0.00 O ATOM 247 CB ASN A 15 18.084 4.407 4.829 1.00 0.00 C ATOM 248 CG ASN A 15 18.528 4.610 6.266 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.728 4.969 7.130 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.809 4.379 6.527 1.00 0.00 N ATOM 0 H ASN A 15 16.506 2.969 2.869 1.00 0.00 H new ATOM 0 HA ASN A 15 18.757 2.368 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.842 4.809 4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.169 4.972 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.166 4.498 7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.436 4.083 5.779 1.00 0.00 H new ATOM 257 N ASN A 16 16.369 1.117 5.141 1.00 0.00 N ATOM 258 CA ASN A 16 15.334 0.444 5.928 1.00 0.00 C ATOM 259 C ASN A 16 14.124 1.352 6.151 1.00 0.00 C ATOM 260 O ASN A 16 13.362 1.170 7.101 1.00 0.00 O ATOM 261 CB ASN A 16 15.900 -0.025 7.272 1.00 0.00 C ATOM 262 CG ASN A 16 16.264 1.126 8.190 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.400 1.897 8.611 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.547 1.249 8.506 1.00 0.00 N ATOM 0 H ASN A 16 16.758 0.549 4.388 1.00 0.00 H new ATOM 0 HA ASN A 16 15.002 -0.427 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.167 -0.661 7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.785 -0.636 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.851 2.005 9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.229 0.588 8.135 1.00 0.00 H new ATOM 271 N GLU A 17 13.948 2.317 5.256 1.00 0.00 N ATOM 272 CA GLU A 17 12.827 3.241 5.332 1.00 0.00 C ATOM 273 C GLU A 17 11.924 3.022 4.131 1.00 0.00 C ATOM 274 O GLU A 17 12.404 2.745 3.040 1.00 0.00 O ATOM 275 CB GLU A 17 13.324 4.688 5.366 1.00 0.00 C ATOM 276 CG GLU A 17 14.239 5.045 4.206 1.00 0.00 C ATOM 277 CD GLU A 17 14.869 6.416 4.363 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.309 7.246 5.107 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.925 6.658 3.740 1.00 0.00 O ATOM 0 H GLU A 17 14.572 2.479 4.466 1.00 0.00 H new ATOM 0 HA GLU A 17 12.268 3.055 6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.465 5.359 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.855 4.859 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.025 4.295 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.671 5.014 3.276 1.00 0.00 H new ATOM 286 N ILE A 18 10.621 3.125 4.331 1.00 0.00 N ATOM 287 CA ILE A 18 9.682 2.908 3.241 1.00 0.00 C ATOM 288 C ILE A 18 8.906 4.177 2.907 1.00 0.00 C ATOM 289 O ILE A 18 8.446 4.895 3.796 1.00 0.00 O ATOM 290 CB ILE A 18 8.706 1.762 3.587 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.418 0.412 3.482 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.473 1.787 2.690 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.976 -0.587 4.529 1.00 0.00 C ATOM 0 H ILE A 18 10.192 3.355 5.227 1.00 0.00 H new ATOM 0 HA ILE A 18 10.261 2.628 2.361 1.00 0.00 H new ATOM 0 HB ILE A 18 8.369 1.907 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.239 -0.008 2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.493 0.569 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.809 0.967 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.950 2.735 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.778 1.677 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.522 -1.521 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.180 -0.187 5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.907 -0.774 4.426 1.00 0.00 H new ATOM 305 N PHE A 19 8.763 4.438 1.611 1.00 0.00 N ATOM 306 CA PHE A 19 8.043 5.610 1.136 1.00 0.00 C ATOM 307 C PHE A 19 6.541 5.335 1.088 1.00 0.00 C ATOM 308 O PHE A 19 6.068 4.546 0.270 1.00 0.00 O ATOM 309 CB PHE A 19 8.571 6.021 -0.252 1.00 0.00 C ATOM 310 CG PHE A 19 7.503 6.238 -1.291 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.867 7.463 -1.405 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.136 5.214 -2.148 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.886 7.664 -2.357 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.155 5.408 -3.102 1.00 0.00 C ATOM 315 CZ PHE A 19 5.529 6.635 -3.207 1.00 0.00 C ATOM 0 H PHE A 19 9.140 3.848 0.869 1.00 0.00 H new ATOM 0 HA PHE A 19 8.210 6.434 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.150 6.939 -0.149 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.255 5.251 -0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.141 8.270 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.622 4.253 -2.070 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.399 8.625 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.878 4.601 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.762 6.790 -3.952 1.00 0.00 H new ATOM 325 N ILE A 20 5.795 5.990 1.970 1.00 0.00 N ATOM 326 CA ILE A 20 4.349 5.819 2.021 1.00 0.00 C ATOM 327 C ILE A 20 3.651 7.130 1.676 1.00 0.00 C ATOM 328 O ILE A 20 4.172 8.210 1.952 1.00 0.00 O ATOM 329 CB ILE A 20 3.856 5.339 3.410 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.012 5.202 4.408 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.114 4.019 3.279 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.250 6.453 5.224 1.00 0.00 C ATOM 0 H ILE A 20 6.168 6.644 2.659 1.00 0.00 H new ATOM 0 HA ILE A 20 4.099 5.050 1.290 1.00 0.00 H new ATOM 0 HB ILE A 20 3.174 6.096 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.804 4.371 5.082 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.924 4.952 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.774 3.694 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.254 4.149 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.781 3.267 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.081 6.288 5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.489 7.282 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.352 6.692 5.794 1.00 0.00 H new ATOM 344 N THR A 21 2.471 7.032 1.075 1.00 0.00 N ATOM 345 CA THR A 21 1.713 8.220 0.702 1.00 0.00 C ATOM 346 C THR A 21 1.163 8.915 1.942 1.00 0.00 C ATOM 347 O THR A 21 0.588 8.272 2.819 1.00 0.00 O ATOM 348 CB THR A 21 0.569 7.850 -0.241 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.493 7.244 0.472 1.00 0.00 O ATOM 350 CG2 THR A 21 0.984 6.900 -1.343 1.00 0.00 C ATOM 0 H THR A 21 2.021 6.148 0.837 1.00 0.00 H new ATOM 0 HA THR A 21 2.385 8.906 0.186 1.00 0.00 H new ATOM 0 HB THR A 21 0.254 8.790 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.128 6.662 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.124 6.679 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.768 7.360 -1.944 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.359 5.975 -0.904 1.00 0.00 H new ATOM 358 N ARG A 22 1.345 10.229 2.011 1.00 0.00 N ATOM 359 CA ARG A 22 0.869 11.007 3.149 1.00 0.00 C ATOM 360 C ARG A 22 0.236 12.315 2.689 1.00 0.00 C ATOM 361 O ARG A 22 0.925 13.216 2.211 1.00 0.00 O ATOM 362 CB ARG A 22 2.021 11.297 4.113 1.00 0.00 C ATOM 363 CG ARG A 22 1.564 11.787 5.477 1.00 0.00 C ATOM 364 CD ARG A 22 2.700 11.756 6.488 1.00 0.00 C ATOM 365 NE ARG A 22 2.516 12.746 7.547 1.00 0.00 N ATOM 366 CZ ARG A 22 3.456 13.065 8.433 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.645 12.478 8.391 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.207 13.976 9.365 1.00 0.00 N ATOM 0 H ARG A 22 1.818 10.778 1.293 1.00 0.00 H new ATOM 0 HA ARG A 22 0.110 10.419 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.613 10.391 4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.676 12.046 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.180 12.803 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.742 11.165 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.766 10.761 6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.645 11.942 5.978 1.00 0.00 H new ATOM 0 HE ARG A 22 1.615 13.220 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.843 11.778 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.361 12.727 9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.295 14.432 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.927 14.221 10.044 1.00 0.00 H new ATOM 493 N ASN A 31 -5.481 12.615 6.586 1.00 0.00 N ATOM 494 CA ASN A 31 -5.694 11.313 7.207 1.00 0.00 C ATOM 495 C ASN A 31 -5.723 10.203 6.159 1.00 0.00 C ATOM 496 O ASN A 31 -6.413 9.196 6.327 1.00 0.00 O ATOM 497 CB ASN A 31 -7.000 11.314 8.005 1.00 0.00 C ATOM 498 CG ASN A 31 -6.826 10.741 9.398 1.00 0.00 C ATOM 499 OD1 ASN A 31 -7.163 9.585 9.652 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.301 11.550 10.310 1.00 0.00 N ATOM 0 HA ASN A 31 -4.862 11.122 7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.377 12.334 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.751 10.735 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.163 11.220 11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.036 12.501 10.056 1.00 0.00 H new ATOM 507 N LYS A 32 -4.975 10.392 5.077 1.00 0.00 N ATOM 508 CA LYS A 32 -4.919 9.406 4.004 1.00 0.00 C ATOM 509 C LYS A 32 -3.547 8.756 3.921 1.00 0.00 C ATOM 510 O LYS A 32 -3.130 8.283 2.863 1.00 0.00 O ATOM 511 CB LYS A 32 -5.284 10.045 2.663 1.00 0.00 C ATOM 512 CG LYS A 32 -6.099 9.137 1.756 1.00 0.00 C ATOM 513 CD LYS A 32 -7.564 9.542 1.732 1.00 0.00 C ATOM 514 CE LYS A 32 -8.236 9.121 0.434 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.742 9.911 -0.728 1.00 0.00 N ATOM 0 H LYS A 32 -4.399 11.219 4.920 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.648 8.629 4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.847 10.960 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.368 10.333 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.694 9.173 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.011 8.106 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.083 9.087 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.646 10.622 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.052 8.061 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.315 9.247 0.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.437 9.865 -1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.607 10.902 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.836 9.519 -1.055 1.00 0.00 H new ATOM 529 N LEU A 33 -2.851 8.739 5.045 1.00 0.00 N ATOM 530 CA LEU A 33 -1.519 8.147 5.115 1.00 0.00 C ATOM 531 C LEU A 33 -1.574 6.654 4.809 1.00 0.00 C ATOM 532 O LEU A 33 -1.641 5.827 5.719 1.00 0.00 O ATOM 533 CB LEU A 33 -0.904 8.373 6.497 1.00 0.00 C ATOM 534 CG LEU A 33 0.525 7.851 6.665 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.423 8.385 5.560 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.072 8.231 8.033 1.00 0.00 C ATOM 0 H LEU A 33 -3.185 9.129 5.926 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.894 8.634 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.911 9.442 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.539 7.895 7.243 1.00 0.00 H new ATOM 0 HG LEU A 33 0.506 6.764 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.435 8.003 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.041 8.061 4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.438 9.474 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.089 7.852 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.077 9.316 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.443 7.797 8.810 1.00 0.00 H new ATOM 548 N GLU A 34 -1.548 6.314 3.525 1.00 0.00 N ATOM 549 CA GLU A 34 -1.600 4.917 3.106 1.00 0.00 C ATOM 550 C GLU A 34 -0.433 4.575 2.181 1.00 0.00 C ATOM 551 O GLU A 34 0.535 5.329 2.082 1.00 0.00 O ATOM 552 CB GLU A 34 -2.929 4.621 2.407 1.00 0.00 C ATOM 553 CG GLU A 34 -3.518 3.268 2.768 1.00 0.00 C ATOM 554 CD GLU A 34 -4.118 2.555 1.573 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.580 2.712 0.456 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.126 1.839 1.752 1.00 0.00 O ATOM 0 H GLU A 34 -1.491 6.984 2.758 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.521 4.296 3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.646 5.400 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.781 4.667 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.740 2.643 3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.286 3.402 3.530 1.00 0.00 H new ATOM 563 N PHE A 35 -0.533 3.430 1.511 1.00 0.00 N ATOM 564 CA PHE A 35 0.516 2.983 0.598 1.00 0.00 C ATOM 565 C PHE A 35 -0.011 2.846 -0.830 1.00 0.00 C ATOM 566 O PHE A 35 -1.218 2.889 -1.068 1.00 0.00 O ATOM 567 CB PHE A 35 1.110 1.640 1.050 1.00 0.00 C ATOM 568 CG PHE A 35 0.948 1.340 2.515 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.304 1.106 3.061 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.056 1.286 3.343 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.446 0.826 4.406 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.920 1.006 4.688 1.00 0.00 C ATOM 573 CZ PHE A 35 0.668 0.777 5.220 1.00 0.00 C ATOM 0 H PHE A 35 -1.328 2.795 1.583 1.00 0.00 H new ATOM 0 HA PHE A 35 1.297 3.743 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.642 0.840 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.172 1.628 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.178 1.143 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.039 1.465 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.427 0.646 4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.793 0.966 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.559 0.560 6.272 1.00 0.00 H new ATOM 583 N PRO A 36 0.904 2.678 -1.801 1.00 0.00 N ATOM 584 CA PRO A 36 0.560 2.531 -3.216 1.00 0.00 C ATOM 585 C PRO A 36 0.089 1.123 -3.573 1.00 0.00 C ATOM 586 O PRO A 36 0.251 0.185 -2.797 1.00 0.00 O ATOM 587 CB PRO A 36 1.875 2.842 -3.927 1.00 0.00 C ATOM 588 CG PRO A 36 2.931 2.410 -2.970 1.00 0.00 C ATOM 589 CD PRO A 36 2.366 2.616 -1.587 1.00 0.00 C ATOM 0 HA PRO A 36 -0.269 3.181 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.952 2.304 -4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.959 3.904 -4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.195 1.364 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.842 2.993 -3.108 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.637 1.798 -0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.742 3.534 -1.135 1.00 0.00 H new ATOM 597 N GLY A 37 -0.480 0.991 -4.764 1.00 0.00 N ATOM 598 CA GLY A 37 -0.965 -0.295 -5.235 1.00 0.00 C ATOM 599 C GLY A 37 -2.473 -0.467 -5.154 1.00 0.00 C ATOM 600 O GLY A 37 -3.009 -1.452 -5.645 1.00 0.00 O ATOM 0 H GLY A 37 -0.616 1.760 -5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.651 -0.431 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.490 -1.084 -4.652 1.00 0.00 H new ATOM 604 N GLY A 38 -3.161 0.495 -4.572 1.00 0.00 N ATOM 605 CA GLY A 38 -4.608 0.422 -4.473 1.00 0.00 C ATOM 606 C GLY A 38 -5.287 0.423 -5.833 1.00 0.00 C ATOM 607 O GLY A 38 -4.747 0.973 -6.796 1.00 0.00 O ATOM 0 H GLY A 38 -2.746 1.332 -4.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.886 -0.483 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.972 1.267 -3.889 1.00 0.00 H new ATOM 611 N LYS A 39 -6.479 -0.190 -5.907 1.00 0.00 N ATOM 612 CA LYS A 39 -7.257 -0.264 -7.143 1.00 0.00 C ATOM 613 C LYS A 39 -6.950 -1.527 -7.941 1.00 0.00 C ATOM 614 O LYS A 39 -7.484 -1.719 -9.032 1.00 0.00 O ATOM 615 CB LYS A 39 -7.038 0.962 -8.023 1.00 0.00 C ATOM 616 CG LYS A 39 -8.022 1.041 -9.172 1.00 0.00 C ATOM 617 CD LYS A 39 -8.786 2.356 -9.163 1.00 0.00 C ATOM 618 CE LYS A 39 -9.850 2.376 -8.074 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.262 2.568 -6.717 1.00 0.00 N ATOM 0 H LYS A 39 -6.925 -0.646 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.303 -0.296 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.125 1.862 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.023 0.942 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.489 0.935 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.725 0.210 -9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.090 3.181 -9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.255 2.512 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.561 3.177 -8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.409 1.441 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.979 2.974 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.947 1.650 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.449 3.214 -6.779 1.00 0.00 H new ATOM 633 N ILE A 40 -6.106 -2.396 -7.395 1.00 0.00 N ATOM 634 CA ILE A 40 -5.768 -3.643 -8.076 1.00 0.00 C ATOM 635 C ILE A 40 -7.031 -4.392 -8.466 1.00 0.00 C ATOM 636 O ILE A 40 -7.053 -5.155 -9.433 1.00 0.00 O ATOM 637 CB ILE A 40 -4.868 -4.553 -7.216 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.686 -5.314 -6.159 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.778 -3.716 -6.568 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.223 -6.741 -5.946 1.00 0.00 C ATOM 0 H ILE A 40 -5.647 -2.264 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.208 -3.375 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.407 -5.302 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.629 -4.777 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.734 -5.322 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.140 -4.357 -5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.178 -3.237 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.232 -2.952 -5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.845 -7.216 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.306 -7.294 -6.882 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.184 -6.741 -5.615 1.00 0.00 H new ATOM 652 N GLU A 41 -8.079 -4.148 -7.690 1.00 0.00 N ATOM 653 CA GLU A 41 -9.383 -4.761 -7.902 1.00 0.00 C ATOM 654 C GLU A 41 -9.690 -4.879 -9.386 1.00 0.00 C ATOM 655 O GLU A 41 -9.803 -5.983 -9.915 1.00 0.00 O ATOM 656 CB GLU A 41 -10.463 -3.928 -7.207 1.00 0.00 C ATOM 657 CG GLU A 41 -10.214 -2.423 -7.264 1.00 0.00 C ATOM 658 CD GLU A 41 -11.262 -1.685 -8.073 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.362 -1.439 -7.535 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.983 -1.353 -9.244 1.00 0.00 O ATOM 0 H GLU A 41 -8.048 -3.515 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.369 -5.764 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.427 -4.145 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.531 -4.236 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.196 -2.024 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.231 -2.238 -7.697 1.00 0.00 H new ATOM 667 N MET A 42 -9.804 -3.723 -10.043 1.00 0.00 N ATOM 668 CA MET A 42 -10.082 -3.645 -11.484 1.00 0.00 C ATOM 669 C MET A 42 -10.649 -4.954 -12.042 1.00 0.00 C ATOM 670 O MET A 42 -11.864 -5.111 -12.165 1.00 0.00 O ATOM 671 CB MET A 42 -8.805 -3.261 -12.241 1.00 0.00 C ATOM 672 CG MET A 42 -8.839 -1.854 -12.813 1.00 0.00 C ATOM 673 SD MET A 42 -7.261 -0.997 -12.651 1.00 0.00 S ATOM 674 CE MET A 42 -7.037 -0.379 -14.316 1.00 0.00 C ATOM 0 H MET A 42 -9.707 -2.813 -9.594 1.00 0.00 H new ATOM 0 HA MET A 42 -10.843 -2.878 -11.627 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.952 -3.350 -11.568 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.646 -3.971 -13.053 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.115 -1.901 -13.866 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.614 -1.279 -12.306 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.100 0.175 -14.375 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.008 -1.216 -15.014 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.866 0.280 -14.574 1.00 0.00 H new ATOM 684 N GLY A 43 -9.762 -5.891 -12.373 1.00 0.00 N ATOM 685 CA GLY A 43 -10.197 -7.168 -12.906 1.00 0.00 C ATOM 686 C GLY A 43 -9.045 -8.084 -13.250 1.00 0.00 C ATOM 687 O GLY A 43 -9.104 -8.834 -14.225 1.00 0.00 O ATOM 0 H GLY A 43 -8.752 -5.787 -12.281 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.841 -7.660 -12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.798 -6.998 -13.799 1.00 0.00 H new ATOM 691 N GLU A 44 -7.998 -8.020 -12.449 1.00 0.00 N ATOM 692 CA GLU A 44 -6.816 -8.849 -12.667 1.00 0.00 C ATOM 693 C GLU A 44 -6.912 -10.158 -11.887 1.00 0.00 C ATOM 694 O GLU A 44 -7.961 -10.480 -11.327 1.00 0.00 O ATOM 695 CB GLU A 44 -5.553 -8.085 -12.266 1.00 0.00 C ATOM 696 CG GLU A 44 -4.802 -7.490 -13.446 1.00 0.00 C ATOM 697 CD GLU A 44 -5.146 -6.033 -13.682 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.275 -5.626 -13.333 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.289 -5.299 -14.214 1.00 0.00 O ATOM 0 H GLU A 44 -7.937 -7.403 -11.639 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.762 -9.091 -13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.826 -7.284 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.888 -8.758 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.730 -7.583 -13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.031 -8.064 -14.344 1.00 0.00 H new ATOM 706 N THR A 45 -5.814 -10.913 -11.851 1.00 0.00 N ATOM 707 CA THR A 45 -5.784 -12.182 -11.137 1.00 0.00 C ATOM 708 C THR A 45 -5.168 -11.995 -9.755 1.00 0.00 C ATOM 709 O THR A 45 -4.356 -11.095 -9.551 1.00 0.00 O ATOM 710 CB THR A 45 -4.982 -13.218 -11.934 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.646 -12.717 -13.216 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.720 -14.524 -12.134 1.00 0.00 C ATOM 0 H THR A 45 -4.937 -10.665 -12.308 1.00 0.00 H new ATOM 0 HA THR A 45 -6.806 -12.541 -11.020 1.00 0.00 H new ATOM 0 HB THR A 45 -4.090 -13.410 -11.338 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.133 -13.393 -13.707 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.096 -15.211 -12.705 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.950 -14.964 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.647 -14.339 -12.677 1.00 0.00 H new ATOM 720 N PRO A 46 -5.535 -12.846 -8.782 1.00 0.00 N ATOM 721 CA PRO A 46 -5.005 -12.769 -7.421 1.00 0.00 C ATOM 722 C PRO A 46 -3.496 -12.535 -7.395 1.00 0.00 C ATOM 723 O PRO A 46 -2.958 -12.006 -6.423 1.00 0.00 O ATOM 724 CB PRO A 46 -5.352 -14.142 -6.815 1.00 0.00 C ATOM 725 CG PRO A 46 -5.953 -14.945 -7.925 1.00 0.00 C ATOM 726 CD PRO A 46 -6.484 -13.954 -8.917 1.00 0.00 C ATOM 0 HA PRO A 46 -5.430 -11.930 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.461 -14.630 -6.419 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.052 -14.037 -5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.207 -15.594 -8.384 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.750 -15.589 -7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.498 -14.358 -9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.504 -13.648 -8.682 1.00 0.00 H new ATOM 734 N GLU A 47 -2.817 -12.934 -8.469 1.00 0.00 N ATOM 735 CA GLU A 47 -1.372 -12.767 -8.561 1.00 0.00 C ATOM 736 C GLU A 47 -0.998 -11.583 -9.454 1.00 0.00 C ATOM 737 O GLU A 47 -0.112 -10.799 -9.114 1.00 0.00 O ATOM 738 CB GLU A 47 -0.727 -14.046 -9.099 1.00 0.00 C ATOM 739 CG GLU A 47 -0.353 -15.041 -8.012 1.00 0.00 C ATOM 740 CD GLU A 47 0.558 -16.143 -8.519 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.200 -15.944 -9.572 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.628 -17.203 -7.864 1.00 0.00 O ATOM 0 H GLU A 47 -3.245 -13.374 -9.284 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.998 -12.564 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.414 -14.524 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.168 -13.783 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.140 -14.513 -7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.261 -15.484 -7.602 1.00 0.00 H new ATOM 749 N GLN A 48 -1.666 -11.459 -10.601 1.00 0.00 N ATOM 750 CA GLN A 48 -1.382 -10.371 -11.533 1.00 0.00 C ATOM 751 C GLN A 48 -2.059 -9.071 -11.109 1.00 0.00 C ATOM 752 O GLN A 48 -1.858 -8.029 -11.733 1.00 0.00 O ATOM 753 CB GLN A 48 -1.830 -10.754 -12.945 1.00 0.00 C ATOM 754 CG GLN A 48 -0.783 -11.530 -13.726 1.00 0.00 C ATOM 755 CD GLN A 48 -0.933 -11.365 -15.225 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.987 -10.955 -15.713 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.121 -11.686 -15.966 1.00 0.00 N ATOM 0 H GLN A 48 -2.403 -12.095 -10.905 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.305 -10.205 -11.525 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.739 -11.352 -12.879 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.084 -9.848 -13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.210 -11.197 -13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.855 -12.587 -13.472 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.975 -12.022 -15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.077 -11.597 -16.981 1.00 0.00 H new ATOM 766 N ALA A 49 -2.864 -9.127 -10.052 1.00 0.00 N ATOM 767 CA ALA A 49 -3.558 -7.944 -9.572 1.00 0.00 C ATOM 768 C ALA A 49 -2.567 -6.881 -9.131 1.00 0.00 C ATOM 769 O ALA A 49 -2.584 -5.760 -9.634 1.00 0.00 O ATOM 770 CB ALA A 49 -4.498 -8.302 -8.432 1.00 0.00 C ATOM 0 H ALA A 49 -3.049 -9.975 -9.517 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.150 -7.540 -10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.009 -7.403 -8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.234 -9.026 -8.781 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.926 -8.734 -7.611 1.00 0.00 H new ATOM 776 N VAL A 50 -1.703 -7.238 -8.191 1.00 0.00 N ATOM 777 CA VAL A 50 -0.704 -6.302 -7.694 1.00 0.00 C ATOM 778 C VAL A 50 0.471 -6.182 -8.660 1.00 0.00 C ATOM 779 O VAL A 50 0.932 -5.086 -8.947 1.00 0.00 O ATOM 780 CB VAL A 50 -0.172 -6.684 -6.283 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.153 -7.577 -5.536 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.197 -7.351 -6.366 1.00 0.00 C ATOM 0 H VAL A 50 -1.673 -8.162 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.210 -5.340 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.066 -5.756 -5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.747 -7.823 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.102 -7.054 -5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.314 -8.494 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.539 -7.605 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.124 -8.259 -6.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.908 -6.667 -6.830 1.00 0.00 H new ATOM 792 N VAL A 51 0.964 -7.325 -9.130 1.00 0.00 N ATOM 793 CA VAL A 51 2.109 -7.357 -10.034 1.00 0.00 C ATOM 794 C VAL A 51 1.881 -6.512 -11.278 1.00 0.00 C ATOM 795 O VAL A 51 2.790 -5.823 -11.743 1.00 0.00 O ATOM 796 CB VAL A 51 2.449 -8.800 -10.460 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.725 -8.831 -11.291 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.582 -9.702 -9.240 1.00 0.00 C ATOM 0 H VAL A 51 0.586 -8.244 -8.898 1.00 0.00 H new ATOM 0 HA VAL A 51 2.947 -6.937 -9.477 1.00 0.00 H new ATOM 0 HB VAL A 51 1.632 -9.174 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.946 -9.858 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.592 -8.223 -12.186 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.552 -8.434 -10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.822 -10.716 -9.561 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.378 -9.328 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.642 -9.709 -8.689 1.00 0.00 H new ATOM 808 N ARG A 52 0.675 -6.567 -11.821 1.00 0.00 N ATOM 809 CA ARG A 52 0.359 -5.803 -13.018 1.00 0.00 C ATOM 810 C ARG A 52 0.108 -4.340 -12.687 1.00 0.00 C ATOM 811 O ARG A 52 0.700 -3.447 -13.292 1.00 0.00 O ATOM 812 CB ARG A 52 -0.858 -6.397 -13.731 1.00 0.00 C ATOM 813 CG ARG A 52 -0.921 -6.056 -15.212 1.00 0.00 C ATOM 814 CD ARG A 52 -0.428 -7.209 -16.071 1.00 0.00 C ATOM 815 NE ARG A 52 -0.621 -6.952 -17.496 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.811 -6.942 -18.093 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.915 -7.174 -17.393 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.897 -6.697 -19.394 1.00 0.00 N ATOM 0 H ARG A 52 -0.095 -7.127 -11.456 1.00 0.00 H new ATOM 0 HA ARG A 52 1.220 -5.859 -13.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.843 -7.481 -13.616 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.765 -6.038 -13.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.947 -5.809 -15.486 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.317 -5.170 -15.408 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.630 -7.381 -15.874 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.957 -8.121 -15.792 1.00 0.00 H new ATOM 0 HE ARG A 52 0.204 -6.770 -18.067 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.854 -7.361 -16.392 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.824 -7.165 -17.856 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.052 -6.517 -19.936 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.808 -6.689 -19.852 1.00 0.00 H new ATOM 832 N GLU A 53 -0.771 -4.098 -11.726 1.00 0.00 N ATOM 833 CA GLU A 53 -1.092 -2.741 -11.325 1.00 0.00 C ATOM 834 C GLU A 53 0.095 -2.083 -10.630 1.00 0.00 C ATOM 835 O GLU A 53 0.181 -0.857 -10.569 1.00 0.00 O ATOM 836 CB GLU A 53 -2.321 -2.728 -10.416 1.00 0.00 C ATOM 837 CG GLU A 53 -3.627 -2.522 -11.167 1.00 0.00 C ATOM 838 CD GLU A 53 -4.044 -1.066 -11.225 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.372 -0.283 -11.928 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.043 -0.707 -10.566 1.00 0.00 O ATOM 0 H GLU A 53 -1.272 -4.823 -11.212 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.319 -2.166 -12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.369 -3.670 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.208 -1.936 -9.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.523 -2.907 -12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.414 -3.102 -10.685 1.00 0.00 H new ATOM 847 N LEU A 54 1.022 -2.897 -10.115 1.00 0.00 N ATOM 848 CA LEU A 54 2.204 -2.363 -9.441 1.00 0.00 C ATOM 849 C LEU A 54 2.872 -1.333 -10.332 1.00 0.00 C ATOM 850 O LEU A 54 3.233 -0.249 -9.886 1.00 0.00 O ATOM 851 CB LEU A 54 3.202 -3.477 -9.104 1.00 0.00 C ATOM 852 CG LEU A 54 3.816 -3.399 -7.704 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.734 -3.219 -6.648 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.643 -4.643 -7.418 1.00 0.00 C ATOM 0 H LEU A 54 0.976 -3.915 -10.152 1.00 0.00 H new ATOM 0 HA LEU A 54 1.886 -1.898 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.699 -4.438 -9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.007 -3.456 -9.838 1.00 0.00 H new ATOM 0 HG LEU A 54 4.473 -2.530 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.194 -3.166 -5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.185 -2.297 -6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.047 -4.064 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.073 -4.572 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.006 -5.525 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.444 -4.724 -8.153 1.00 0.00 H new ATOM 866 N GLN A 55 3.000 -1.674 -11.606 1.00 0.00 N ATOM 867 CA GLN A 55 3.592 -0.769 -12.578 1.00 0.00 C ATOM 868 C GLN A 55 2.790 0.528 -12.619 1.00 0.00 C ATOM 869 O GLN A 55 3.339 1.610 -12.831 1.00 0.00 O ATOM 870 CB GLN A 55 3.618 -1.431 -13.960 1.00 0.00 C ATOM 871 CG GLN A 55 5.018 -1.591 -14.531 1.00 0.00 C ATOM 872 CD GLN A 55 5.112 -1.142 -15.977 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.042 -1.957 -16.897 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.274 0.159 -16.184 1.00 0.00 N ATOM 0 H GLN A 55 2.702 -2.571 -11.990 1.00 0.00 H new ATOM 0 HA GLN A 55 4.617 -0.541 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.148 -2.412 -13.893 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.019 -0.837 -14.650 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.720 -1.015 -13.929 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.319 -2.636 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.327 0.799 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.346 0.519 -17.136 1.00 0.00 H new ATOM 883 N GLU A 56 1.484 0.402 -12.396 1.00 0.00 N ATOM 884 CA GLU A 56 0.586 1.549 -12.383 1.00 0.00 C ATOM 885 C GLU A 56 0.708 2.319 -11.080 1.00 0.00 C ATOM 886 O GLU A 56 0.477 3.527 -11.038 1.00 0.00 O ATOM 887 CB GLU A 56 -0.862 1.090 -12.548 1.00 0.00 C ATOM 888 CG GLU A 56 -1.814 2.199 -12.969 1.00 0.00 C ATOM 889 CD GLU A 56 -2.667 2.711 -11.821 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.941 1.929 -10.883 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.064 3.894 -11.861 1.00 0.00 O ATOM 0 H GLU A 56 1.023 -0.491 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 56 0.867 2.199 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.898 0.292 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.208 0.665 -11.606 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.239 3.026 -13.385 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.464 1.831 -13.763 1.00 0.00 H new ATOM 898 N GLU A 57 1.043 1.610 -10.008 1.00 0.00 N ATOM 899 CA GLU A 57 1.156 2.232 -8.700 1.00 0.00 C ATOM 900 C GLU A 57 2.610 2.423 -8.269 1.00 0.00 C ATOM 901 O GLU A 57 2.877 2.859 -7.149 1.00 0.00 O ATOM 902 CB GLU A 57 0.409 1.405 -7.659 1.00 0.00 C ATOM 903 CG GLU A 57 -1.095 1.366 -7.888 1.00 0.00 C ATOM 904 CD GLU A 57 -1.585 0.006 -8.350 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.787 -0.954 -8.330 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.769 -0.101 -8.725 1.00 0.00 O ATOM 0 H GLU A 57 1.240 0.609 -10.021 1.00 0.00 H new ATOM 0 HA GLU A 57 0.707 3.222 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.797 0.387 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.608 1.814 -6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.606 1.636 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.364 2.116 -8.632 1.00 0.00 H new ATOM 913 N VAL A 58 3.547 2.116 -9.160 1.00 0.00 N ATOM 914 CA VAL A 58 4.962 2.281 -8.859 1.00 0.00 C ATOM 915 C VAL A 58 5.667 2.954 -10.026 1.00 0.00 C ATOM 916 O VAL A 58 6.452 3.885 -9.844 1.00 0.00 O ATOM 917 CB VAL A 58 5.632 0.919 -8.546 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.071 0.871 -9.036 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.574 0.634 -7.054 1.00 0.00 C ATOM 0 H VAL A 58 3.352 1.753 -10.093 1.00 0.00 H new ATOM 0 HA VAL A 58 5.049 2.911 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 58 5.076 0.148 -9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.504 -0.100 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.093 1.023 -10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.648 1.656 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.048 -0.326 -6.848 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.098 1.421 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.534 0.602 -6.730 1.00 0.00 H new ATOM 929 N GLY A 59 5.360 2.486 -11.230 1.00 0.00 N ATOM 930 CA GLY A 59 5.941 3.048 -12.430 1.00 0.00 C ATOM 931 C GLY A 59 7.425 2.786 -12.587 1.00 0.00 C ATOM 932 O GLY A 59 7.907 2.532 -13.690 1.00 0.00 O ATOM 0 H GLY A 59 4.710 1.717 -11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.419 2.642 -13.297 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.772 4.125 -12.431 1.00 0.00 H new ATOM 936 N ILE A 60 8.148 2.871 -11.491 1.00 0.00 N ATOM 937 CA ILE A 60 9.579 2.671 -11.488 1.00 0.00 C ATOM 938 C ILE A 60 9.946 1.195 -11.549 1.00 0.00 C ATOM 939 O ILE A 60 9.081 0.330 -11.691 1.00 0.00 O ATOM 940 CB ILE A 60 10.208 3.298 -10.229 1.00 0.00 C ATOM 941 CG1 ILE A 60 10.083 2.356 -9.013 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.597 4.662 -9.942 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.610 3.026 -7.739 1.00 0.00 C ATOM 0 H ILE A 60 7.757 3.082 -10.573 1.00 0.00 H new ATOM 0 HA ILE A 60 9.971 3.159 -12.380 1.00 0.00 H new ATOM 0 HB ILE A 60 11.271 3.443 -10.419 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.391 1.552 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.053 1.895 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.056 5.086 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.772 5.325 -10.789 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.524 4.554 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.552 2.288 -6.939 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.312 3.811 -7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.624 3.462 -7.902 1.00 0.00 H new ATOM 955 N THR A 61 11.238 0.920 -11.428 1.00 0.00 N ATOM 956 CA THR A 61 11.737 -0.430 -11.451 1.00 0.00 C ATOM 957 C THR A 61 12.400 -0.754 -10.117 1.00 0.00 C ATOM 958 O THR A 61 13.599 -0.533 -9.940 1.00 0.00 O ATOM 959 CB THR A 61 12.753 -0.541 -12.573 1.00 0.00 C ATOM 960 OG1 THR A 61 13.418 0.697 -12.766 1.00 0.00 O ATOM 961 CG2 THR A 61 12.141 -0.940 -13.897 1.00 0.00 C ATOM 0 H THR A 61 11.960 1.631 -11.312 1.00 0.00 H new ATOM 0 HA THR A 61 10.920 -1.133 -11.615 1.00 0.00 H new ATOM 0 HB THR A 61 13.446 -1.322 -12.261 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.071 0.608 -13.492 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.922 -1.001 -14.655 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.657 -1.911 -13.796 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.403 -0.196 -14.196 1.00 0.00 H new ATOM 969 N PRO A 62 11.618 -1.235 -9.139 1.00 0.00 N ATOM 970 CA PRO A 62 12.092 -1.535 -7.806 1.00 0.00 C ATOM 971 C PRO A 62 12.092 -3.016 -7.470 1.00 0.00 C ATOM 972 O PRO A 62 11.186 -3.747 -7.873 1.00 0.00 O ATOM 973 CB PRO A 62 10.993 -0.852 -7.007 1.00 0.00 C ATOM 974 CG PRO A 62 9.742 -1.171 -7.772 1.00 0.00 C ATOM 975 CD PRO A 62 10.168 -1.456 -9.200 1.00 0.00 C ATOM 0 HA PRO A 62 13.122 -1.223 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.945 -1.232 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.157 0.223 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.233 -2.033 -7.340 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.042 -0.336 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.923 -2.474 -9.503 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.683 -0.787 -9.911 1.00 0.00 H new ATOM 983 N GLN A 63 13.062 -3.451 -6.670 1.00 0.00 N ATOM 984 CA GLN A 63 13.075 -4.837 -6.238 1.00 0.00 C ATOM 985 C GLN A 63 11.990 -4.961 -5.189 1.00 0.00 C ATOM 986 O GLN A 63 12.238 -4.904 -3.985 1.00 0.00 O ATOM 987 CB GLN A 63 14.438 -5.227 -5.673 1.00 0.00 C ATOM 988 CG GLN A 63 15.584 -4.859 -6.598 1.00 0.00 C ATOM 989 CD GLN A 63 16.942 -5.301 -6.079 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.820 -5.676 -6.857 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.126 -5.263 -4.764 1.00 0.00 N ATOM 0 H GLN A 63 13.829 -2.878 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 63 12.892 -5.511 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.582 -4.736 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.456 -6.301 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.412 -5.310 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.592 -3.779 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.374 -4.946 -4.153 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.020 -5.551 -4.366 1.00 0.00 H new ATOM 1000 N HIS A 64 10.774 -5.067 -5.690 1.00 0.00 N ATOM 1001 CA HIS A 64 9.579 -5.131 -4.866 1.00 0.00 C ATOM 1002 C HIS A 64 8.825 -6.419 -5.135 1.00 0.00 C ATOM 1003 O HIS A 64 8.580 -6.767 -6.290 1.00 0.00 O ATOM 1004 CB HIS A 64 8.726 -3.901 -5.206 1.00 0.00 C ATOM 1005 CG HIS A 64 7.303 -3.920 -4.713 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.627 -2.768 -4.364 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.417 -4.935 -4.536 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.396 -3.072 -3.992 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.244 -4.378 -4.088 1.00 0.00 N ATOM 0 H HIS A 64 10.585 -5.112 -6.691 1.00 0.00 H new ATOM 0 HA HIS A 64 9.832 -5.127 -3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.218 -3.019 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.711 -3.783 -6.290 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.601 -5.984 -4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.643 -2.370 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.392 -4.892 -3.865 1.00 0.00 H new ATOM 1018 N PHE A 65 8.469 -7.140 -4.072 1.00 0.00 N ATOM 1019 CA PHE A 65 7.761 -8.403 -4.235 1.00 0.00 C ATOM 1020 C PHE A 65 7.477 -9.090 -2.899 1.00 0.00 C ATOM 1021 O PHE A 65 8.125 -8.806 -1.894 1.00 0.00 O ATOM 1022 CB PHE A 65 8.612 -9.323 -5.090 1.00 0.00 C ATOM 1023 CG PHE A 65 7.834 -10.402 -5.788 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.759 -10.079 -6.601 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.177 -11.736 -5.636 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.040 -11.064 -7.248 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.461 -12.727 -6.281 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.391 -12.391 -7.089 1.00 0.00 C ATOM 0 H PHE A 65 8.657 -6.875 -3.105 1.00 0.00 H new ATOM 0 HA PHE A 65 6.801 -8.192 -4.706 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.136 -8.726 -5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.372 -9.786 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.480 -9.044 -6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.013 -12.004 -5.007 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.204 -10.798 -7.878 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.737 -13.763 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.831 -13.164 -7.595 1.00 0.00 H new ATOM 1038 N SER A 66 6.513 -10.017 -2.916 1.00 0.00 N ATOM 1039 CA SER A 66 6.126 -10.783 -1.725 1.00 0.00 C ATOM 1040 C SER A 66 5.041 -10.059 -0.931 1.00 0.00 C ATOM 1041 O SER A 66 4.415 -9.124 -1.432 1.00 0.00 O ATOM 1042 CB SER A 66 7.338 -11.062 -0.827 1.00 0.00 C ATOM 1043 OG SER A 66 7.261 -12.357 -0.255 1.00 0.00 O ATOM 0 H SER A 66 5.981 -10.257 -3.752 1.00 0.00 H new ATOM 0 HA SER A 66 5.724 -11.736 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.255 -10.972 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.389 -10.314 -0.036 1.00 0.00 H new ATOM 0 HG SER A 66 8.046 -12.512 0.312 1.00 0.00 H new ATOM 1049 N LEU A 67 4.818 -10.496 0.307 1.00 0.00 N ATOM 1050 CA LEU A 67 3.804 -9.890 1.166 1.00 0.00 C ATOM 1051 C LEU A 67 4.162 -10.046 2.638 1.00 0.00 C ATOM 1052 O LEU A 67 4.497 -11.142 3.087 1.00 0.00 O ATOM 1053 CB LEU A 67 2.434 -10.518 0.893 1.00 0.00 C ATOM 1054 CG LEU A 67 2.278 -11.966 1.363 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.565 -12.018 2.705 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.525 -12.786 0.325 1.00 0.00 C ATOM 0 H LEU A 67 5.327 -11.268 0.737 1.00 0.00 H new ATOM 0 HA LEU A 67 3.764 -8.825 0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.670 -9.911 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.240 -10.477 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 67 3.272 -12.397 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.463 -13.056 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.144 -11.466 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.576 -11.569 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.424 -13.813 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.535 -12.356 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.076 -12.777 -0.615 1.00 0.00 H new ATOM 1068 N PHE A 68 4.079 -8.951 3.394 1.00 0.00 N ATOM 1069 CA PHE A 68 4.389 -9.009 4.814 1.00 0.00 C ATOM 1070 C PHE A 68 3.226 -9.646 5.571 1.00 0.00 C ATOM 1071 O PHE A 68 3.429 -10.486 6.447 1.00 0.00 O ATOM 1072 CB PHE A 68 4.743 -7.620 5.377 1.00 0.00 C ATOM 1073 CG PHE A 68 3.587 -6.668 5.564 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.591 -6.920 6.494 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.519 -5.498 4.824 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.548 -6.032 6.676 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.483 -4.603 5.006 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.495 -4.872 5.933 1.00 0.00 C ATOM 0 H PHE A 68 3.804 -8.031 3.051 1.00 0.00 H new ATOM 0 HA PHE A 68 5.273 -9.632 4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.236 -7.755 6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.468 -7.153 4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.631 -7.823 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.287 -5.283 4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.775 -6.246 7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.445 -3.694 4.424 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.683 -4.175 6.075 1.00 0.00 H new ATOM 1088 N GLU A 69 2.008 -9.261 5.190 1.00 0.00 N ATOM 1089 CA GLU A 69 0.784 -9.799 5.785 1.00 0.00 C ATOM 1090 C GLU A 69 -0.424 -9.324 4.986 1.00 0.00 C ATOM 1091 O GLU A 69 -0.550 -8.140 4.691 1.00 0.00 O ATOM 1092 CB GLU A 69 0.627 -9.366 7.248 1.00 0.00 C ATOM 1093 CG GLU A 69 1.562 -10.080 8.210 1.00 0.00 C ATOM 1094 CD GLU A 69 0.991 -10.179 9.611 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.187 -10.571 9.747 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.723 -9.864 10.573 1.00 0.00 O ATOM 0 H GLU A 69 1.842 -8.568 4.461 1.00 0.00 H new ATOM 0 HA GLU A 69 0.850 -10.887 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.801 -8.292 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.402 -9.543 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.769 -11.082 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.514 -9.551 8.246 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.312 -10.245 4.636 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.503 -9.895 3.869 1.00 0.00 C ATOM 1105 C LYS A 70 -3.765 -10.097 4.703 1.00 0.00 C ATOM 1106 O LYS A 70 -3.939 -11.136 5.340 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.580 -10.738 2.594 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.621 -12.236 2.857 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.998 -12.816 2.576 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.049 -13.495 1.216 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.501 -12.563 0.146 1.00 0.00 N ATOM 0 H LYS A 70 -1.232 -11.235 4.869 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.433 -8.842 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.469 -10.452 2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.719 -10.511 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.881 -12.736 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.348 -12.432 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.257 -13.535 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.744 -12.022 2.616 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.061 -13.882 0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.724 -14.350 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.522 -13.064 -0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.454 -12.213 0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.843 -11.760 0.084 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.641 -9.097 4.701 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.881 -9.164 5.460 1.00 0.00 C ATOM 1127 C LEU A 71 -7.086 -9.271 4.530 1.00 0.00 C ATOM 1128 O LEU A 71 -7.146 -8.603 3.498 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.013 -7.926 6.348 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.342 -7.802 7.090 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.185 -8.229 8.542 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.874 -6.379 7.005 1.00 0.00 C ATOM 0 H LEU A 71 -4.513 -8.229 4.180 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.854 -10.056 6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.205 -7.935 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.875 -7.038 5.731 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.064 -8.465 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.142 -8.134 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.853 -9.267 8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.447 -7.593 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.821 -6.312 7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.155 -5.694 7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.028 -6.110 5.960 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.047 -10.109 4.903 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.250 -10.296 4.105 1.00 0.00 C ATOM 1146 C GLU A 72 -10.483 -10.372 5.005 1.00 0.00 C ATOM 1147 O GLU A 72 -10.680 -11.351 5.726 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.121 -11.567 3.258 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.452 -12.168 2.834 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.303 -13.204 1.738 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.275 -13.176 1.029 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.214 -14.045 1.588 1.00 0.00 O ATOM 0 H GLU A 72 -8.015 -10.670 5.754 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.368 -9.441 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.537 -11.339 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.562 -12.312 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.931 -12.627 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.112 -11.372 2.489 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.312 -9.334 4.953 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.526 -9.281 5.758 1.00 0.00 C ATOM 1161 C TYR A 73 -13.673 -8.655 4.971 1.00 0.00 C ATOM 1162 O TYR A 73 -13.487 -7.654 4.281 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.280 -8.484 7.041 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.944 -7.029 6.797 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.806 -6.668 6.088 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.768 -6.018 7.276 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.496 -5.340 5.864 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.465 -4.687 7.055 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.328 -4.354 6.349 1.00 0.00 C ATOM 1170 OH TYR A 73 -11.024 -3.031 6.129 1.00 0.00 O ATOM 0 H TYR A 73 -11.164 -8.517 4.360 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.802 -10.302 6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.168 -8.542 7.671 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.465 -8.948 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.152 -7.438 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.659 -6.276 7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.606 -5.076 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.115 -3.912 7.433 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.053 -2.908 6.168 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.859 -9.244 5.081 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.029 -8.727 4.378 1.00 0.00 C ATOM 1182 C GLU A 74 -17.141 -8.366 5.352 1.00 0.00 C ATOM 1183 O GLU A 74 -17.491 -9.146 6.238 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.551 -9.736 3.350 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.402 -11.187 3.774 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.363 -12.138 2.594 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -15.402 -12.062 1.800 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.296 -12.958 2.463 1.00 0.00 O ATOM 0 H GLU A 74 -15.036 -10.074 5.646 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.715 -7.825 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.604 -9.531 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.021 -9.587 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.488 -11.299 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.232 -11.458 4.427 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.695 -7.177 5.170 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.772 -6.686 6.004 1.00 0.00 C ATOM 1197 C PHE A 75 -20.112 -7.230 5.510 1.00 0.00 C ATOM 1198 O PHE A 75 -20.211 -7.725 4.388 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.772 -5.159 6.004 1.00 0.00 C ATOM 1200 CG PHE A 75 -18.001 -4.553 7.145 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -18.097 -5.073 8.427 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.175 -3.458 6.933 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -17.387 -4.516 9.474 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.463 -2.897 7.977 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.569 -3.427 9.248 1.00 0.00 C ATOM 0 H PHE A 75 -17.407 -6.527 4.438 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.621 -7.033 7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -18.350 -4.805 5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.802 -4.805 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.735 -5.925 8.610 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -17.087 -3.039 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.472 -4.932 10.467 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.824 -2.045 7.799 1.00 0.00 H new ATOM 0 HZ PHE A 75 -16.013 -2.990 10.064 1.00 0.00 H new ATOM 1215 N PRO A 76 -21.164 -7.151 6.345 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.506 -7.635 6.008 1.00 0.00 C ATOM 1217 C PRO A 76 -22.897 -7.365 4.561 1.00 0.00 C ATOM 1218 O PRO A 76 -23.684 -8.103 3.968 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.421 -6.861 6.974 1.00 0.00 C ATOM 1220 CG PRO A 76 -22.516 -5.960 7.761 1.00 0.00 C ATOM 1221 CD PRO A 76 -21.150 -6.571 7.685 1.00 0.00 C ATOM 0 HA PRO A 76 -22.575 -8.718 6.107 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -24.168 -6.285 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.962 -7.542 7.631 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -22.515 -4.951 7.347 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.850 -5.880 8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -20.361 -5.828 7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.994 -7.325 8.457 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.340 -6.309 4.007 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.618 -5.927 2.627 1.00 0.00 C ATOM 1231 C ASP A 77 -21.350 -5.453 1.920 1.00 0.00 C ATOM 1232 O ASP A 77 -21.147 -5.729 0.738 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.678 -4.825 2.585 1.00 0.00 C ATOM 1234 CG ASP A 77 -23.231 -3.564 3.297 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -22.341 -3.659 4.168 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -23.771 -2.482 2.984 1.00 0.00 O ATOM 0 H ASP A 77 -21.687 -5.692 4.490 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.993 -6.807 2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.912 -4.589 1.547 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.597 -5.191 3.043 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.505 -4.733 2.652 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.263 -4.212 2.097 1.00 0.00 C ATOM 1243 C ARG A 78 -18.134 -5.238 2.195 1.00 0.00 C ATOM 1244 O ARG A 78 -17.551 -5.435 3.260 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.868 -2.929 2.833 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.947 -2.024 2.031 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.781 -0.665 2.694 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.182 -0.769 4.024 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.591 0.246 4.653 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.516 1.440 4.077 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -16.076 0.067 5.862 1.00 0.00 N ATOM 0 H ARG A 78 -20.659 -4.498 3.632 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.427 -3.995 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.771 -2.376 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.377 -3.194 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.972 -2.499 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.349 -1.893 1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.157 -0.030 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.754 -0.180 2.772 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.219 -1.671 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.912 1.584 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.062 2.213 4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.132 -0.848 6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.623 0.844 6.344 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.822 -5.884 1.076 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.759 -6.881 1.041 1.00 0.00 C ATOM 1267 C HIS A 79 -15.438 -6.232 0.638 1.00 0.00 C ATOM 1268 O HIS A 79 -15.189 -5.990 -0.543 1.00 0.00 O ATOM 1269 CB HIS A 79 -17.121 -8.009 0.068 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.987 -8.946 -0.233 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.839 -9.011 0.527 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.832 -9.858 -1.223 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.027 -9.921 0.018 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.607 -10.449 -1.043 1.00 0.00 N ATOM 0 H HIS A 79 -18.290 -5.735 0.182 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.645 -7.307 2.038 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.950 -8.581 0.484 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.473 -7.570 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.541 -10.079 -2.008 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.054 -10.187 0.405 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.209 -11.179 -1.634 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.597 -5.949 1.627 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.311 -5.329 1.380 1.00 0.00 C ATOM 1285 C ILE A 80 -12.188 -6.359 1.424 1.00 0.00 C ATOM 1286 O ILE A 80 -12.246 -7.330 2.178 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.019 -4.216 2.412 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.575 -3.737 2.281 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.286 -4.717 3.824 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.184 -2.683 3.295 1.00 0.00 C ATOM 0 H ILE A 80 -14.789 -6.142 2.610 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.355 -4.888 0.384 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.683 -3.375 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.908 -4.593 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.425 -3.336 1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.075 -3.921 4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.330 -5.017 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.644 -5.572 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.145 -2.394 3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.825 -1.809 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.300 -3.085 4.301 1.00 0.00 H new ATOM 1302 N THR A 81 -11.157 -6.124 0.623 1.00 0.00 N ATOM 1303 CA THR A 81 -10.003 -7.008 0.576 1.00 0.00 C ATOM 1304 C THR A 81 -8.724 -6.182 0.611 1.00 0.00 C ATOM 1305 O THR A 81 -8.480 -5.366 -0.276 1.00 0.00 O ATOM 1306 CB THR A 81 -10.040 -7.878 -0.684 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.249 -7.682 -1.397 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.915 -9.357 -0.393 1.00 0.00 C ATOM 0 H THR A 81 -11.098 -5.323 -0.006 1.00 0.00 H new ATOM 0 HA THR A 81 -10.028 -7.667 1.444 1.00 0.00 H new ATOM 0 HB THR A 81 -9.179 -7.565 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.502 -8.515 -1.847 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.949 -9.916 -1.328 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.968 -9.550 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.738 -9.673 0.248 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.913 -6.385 1.644 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.671 -5.638 1.781 1.00 0.00 C ATOM 1318 C LEU A 82 -5.457 -6.555 1.667 1.00 0.00 C ATOM 1319 O LEU A 82 -5.220 -7.399 2.530 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.649 -4.909 3.129 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.649 -3.380 3.049 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.939 -2.875 2.433 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.449 -2.777 4.431 1.00 0.00 C ATOM 0 H LEU A 82 -8.092 -7.055 2.392 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.622 -4.910 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.516 -5.226 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.764 -5.227 3.680 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.821 -3.070 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.918 -1.786 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.045 -3.280 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.783 -3.195 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.451 -1.689 4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.257 -3.098 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.495 -3.111 4.839 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.684 -6.368 0.603 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.483 -7.162 0.381 1.00 0.00 C ATOM 1337 C TRP A 83 -2.252 -6.288 0.549 1.00 0.00 C ATOM 1338 O TRP A 83 -2.101 -5.277 -0.134 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.485 -7.779 -1.021 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.605 -8.743 -1.249 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.853 -8.685 -0.710 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.579 -9.912 -2.077 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.609 -9.739 -1.150 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.850 -10.510 -1.991 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.607 -10.509 -2.884 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.174 -11.675 -2.681 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.928 -11.667 -3.567 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.203 -12.239 -3.462 1.00 0.00 C ATOM 0 H TRP A 83 -4.869 -5.672 -0.120 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.466 -7.968 1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.548 -6.980 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.537 -8.291 -1.185 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.198 -7.918 -0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.579 -9.921 -0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.623 -10.073 -2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.156 -12.117 -2.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.184 -12.139 -4.192 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.423 -13.144 -4.009 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.374 -6.678 1.460 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.159 -5.912 1.705 1.00 0.00 C ATOM 1361 C PHE A 84 1.074 -6.701 1.283 1.00 0.00 C ATOM 1362 O PHE A 84 1.402 -7.731 1.874 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.061 -5.495 3.175 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.061 -4.442 3.565 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.406 -4.619 3.287 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.663 -3.273 4.202 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.332 -3.658 3.632 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.589 -2.306 4.547 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.927 -2.501 4.261 1.00 0.00 C ATOM 0 H PHE A 84 -1.477 -7.512 2.038 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.205 -5.006 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.205 -6.373 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.944 -5.122 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.734 -5.522 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.381 -3.118 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.377 -3.812 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.267 -1.400 5.039 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.653 -1.748 4.530 1.00 0.00 H new ATOM 1379 N TRP A 85 1.740 -6.214 0.243 1.00 0.00 N ATOM 1380 CA TRP A 85 2.926 -6.868 -0.287 1.00 0.00 C ATOM 1381 C TRP A 85 4.207 -6.263 0.286 1.00 0.00 C ATOM 1382 O TRP A 85 4.262 -5.074 0.601 1.00 0.00 O ATOM 1383 CB TRP A 85 2.926 -6.791 -1.813 1.00 0.00 C ATOM 1384 CG TRP A 85 1.877 -7.666 -2.431 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.527 -7.578 -2.244 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.087 -8.767 -3.321 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.115 -8.554 -2.966 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.821 -9.297 -3.637 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.221 -9.356 -3.886 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.660 -10.386 -4.490 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.060 -10.437 -4.732 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.788 -10.941 -5.027 1.00 0.00 C ATOM 0 H TRP A 85 1.475 -5.362 -0.252 1.00 0.00 H new ATOM 0 HA TRP A 85 2.899 -7.915 0.016 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.762 -5.759 -2.122 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.906 -7.084 -2.189 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.036 -6.847 -1.619 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.124 -8.702 -2.998 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.206 -8.973 -3.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.320 -10.778 -4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.930 -10.901 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.696 -11.786 -5.693 1.00 0.00 H new ATOM 1403 N LEU A 86 5.229 -7.100 0.421 1.00 0.00 N ATOM 1404 CA LEU A 86 6.515 -6.682 0.958 1.00 0.00 C ATOM 1405 C LEU A 86 7.439 -6.203 -0.161 1.00 0.00 C ATOM 1406 O LEU A 86 7.485 -6.793 -1.236 1.00 0.00 O ATOM 1407 CB LEU A 86 7.165 -7.837 1.719 1.00 0.00 C ATOM 1408 CG LEU A 86 8.614 -7.602 2.152 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.680 -6.545 3.242 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.244 -8.902 2.627 1.00 0.00 C ATOM 0 H LEU A 86 5.188 -8.086 0.161 1.00 0.00 H new ATOM 0 HA LEU A 86 6.349 -5.852 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.568 -8.048 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.130 -8.728 1.092 1.00 0.00 H new ATOM 0 HG LEU A 86 9.178 -7.241 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.718 -6.391 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.267 -5.609 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.102 -6.876 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.274 -8.717 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.680 -9.291 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.230 -9.630 1.816 1.00 0.00 H new ATOM 1422 N VAL A 87 8.162 -5.124 0.094 1.00 0.00 N ATOM 1423 CA VAL A 87 9.083 -4.560 -0.888 1.00 0.00 C ATOM 1424 C VAL A 87 10.477 -4.478 -0.325 1.00 0.00 C ATOM 1425 O VAL A 87 10.649 -4.241 0.870 1.00 0.00 O ATOM 1426 CB VAL A 87 8.672 -3.158 -1.309 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.499 -2.680 -2.491 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.190 -3.132 -1.630 1.00 0.00 C ATOM 0 H VAL A 87 8.130 -4.616 0.978 1.00 0.00 H new ATOM 0 HA VAL A 87 9.055 -5.223 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 87 8.861 -2.473 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.185 -1.675 -2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.554 -2.667 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.352 -3.355 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.901 -2.125 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.981 -3.828 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.621 -3.424 -0.747 1.00 0.00 H new ATOM 1438 N GLU A 88 11.477 -4.694 -1.165 1.00 0.00 N ATOM 1439 CA GLU A 88 12.842 -4.646 -0.676 1.00 0.00 C ATOM 1440 C GLU A 88 13.657 -3.465 -1.216 1.00 0.00 C ATOM 1441 O GLU A 88 14.595 -3.021 -0.553 1.00 0.00 O ATOM 1442 CB GLU A 88 13.568 -5.959 -0.983 1.00 0.00 C ATOM 1443 CG GLU A 88 12.663 -7.180 -0.974 1.00 0.00 C ATOM 1444 CD GLU A 88 12.182 -7.540 0.418 1.00 0.00 C ATOM 1445 OE1 GLU A 88 11.401 -6.755 0.998 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.587 -8.605 0.929 1.00 0.00 O ATOM 0 H GLU A 88 11.374 -4.898 -2.159 1.00 0.00 H new ATOM 0 HA GLU A 88 12.764 -4.501 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.045 -5.879 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.363 -6.103 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.801 -6.994 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.199 -8.028 -1.400 1.00 0.00 H new ATOM 1453 N ARG A 89 13.339 -2.958 -2.408 1.00 0.00 N ATOM 1454 CA ARG A 89 14.115 -1.845 -2.959 1.00 0.00 C ATOM 1455 C ARG A 89 13.375 -1.143 -4.095 1.00 0.00 C ATOM 1456 O ARG A 89 12.482 -1.717 -4.710 1.00 0.00 O ATOM 1457 CB ARG A 89 15.494 -2.368 -3.413 1.00 0.00 C ATOM 1458 CG ARG A 89 16.027 -1.802 -4.730 1.00 0.00 C ATOM 1459 CD ARG A 89 17.099 -0.746 -4.499 1.00 0.00 C ATOM 1460 NE ARG A 89 16.712 0.220 -3.472 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.151 1.478 -3.431 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.015 1.920 -4.338 1.00 0.00 N ATOM 1463 NH2 ARG A 89 16.729 2.294 -2.476 1.00 0.00 N ATOM 0 H ARG A 89 12.573 -3.287 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 89 14.257 -1.094 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.219 -2.151 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.437 -3.453 -3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.438 -2.611 -5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.205 -1.367 -5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.029 -1.233 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.296 -0.221 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 89 16.068 -0.087 -2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.347 1.295 -5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.346 2.884 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.069 1.959 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.064 3.257 -2.443 1.00 0.00 H new ATOM 1477 N TRP A 90 13.782 0.095 -4.381 1.00 0.00 N ATOM 1478 CA TRP A 90 13.184 0.867 -5.462 1.00 0.00 C ATOM 1479 C TRP A 90 14.177 1.887 -6.020 1.00 0.00 C ATOM 1480 O TRP A 90 14.713 2.714 -5.283 1.00 0.00 O ATOM 1481 CB TRP A 90 11.886 1.542 -4.994 1.00 0.00 C ATOM 1482 CG TRP A 90 12.059 2.896 -4.376 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.390 4.055 -5.018 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.883 3.234 -2.998 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.435 5.093 -4.121 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.125 4.615 -2.875 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.545 2.504 -1.854 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.036 5.279 -1.656 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.458 3.166 -0.645 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.701 4.542 -0.555 1.00 0.00 C ATOM 0 H TRP A 90 14.524 0.581 -3.877 1.00 0.00 H new ATOM 0 HA TRP A 90 12.929 0.183 -6.271 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.214 1.633 -5.848 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.396 0.890 -4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.587 4.142 -6.076 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.662 6.062 -4.345 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.356 1.442 -1.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.225 6.340 -1.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.198 2.613 0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.622 5.031 0.405 1.00 0.00 H new ATOM 1501 N GLU A 91 14.429 1.805 -7.326 1.00 0.00 N ATOM 1502 CA GLU A 91 15.370 2.707 -7.982 1.00 0.00 C ATOM 1503 C GLU A 91 14.738 4.071 -8.248 1.00 0.00 C ATOM 1504 O GLU A 91 13.529 4.179 -8.452 1.00 0.00 O ATOM 1505 CB GLU A 91 15.858 2.096 -9.297 1.00 0.00 C ATOM 1506 CG GLU A 91 16.881 2.953 -10.024 1.00 0.00 C ATOM 1507 CD GLU A 91 16.263 3.784 -11.131 1.00 0.00 C ATOM 1508 OE1 GLU A 91 15.477 4.702 -10.816 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.563 3.517 -12.314 1.00 0.00 O ATOM 0 H GLU A 91 13.994 1.124 -7.948 1.00 0.00 H new ATOM 0 HA GLU A 91 16.218 2.849 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.295 1.118 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.002 1.933 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.370 3.614 -9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.654 2.311 -10.445 1.00 0.00 H new ATOM 1516 N GLY A 92 15.570 5.109 -8.247 1.00 0.00 N ATOM 1517 CA GLY A 92 15.085 6.456 -8.493 1.00 0.00 C ATOM 1518 C GLY A 92 13.960 6.854 -7.559 1.00 0.00 C ATOM 1519 O GLY A 92 13.946 6.467 -6.390 1.00 0.00 O ATOM 0 H GLY A 92 16.574 5.041 -8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.910 7.160 -8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.739 6.530 -9.524 1.00 0.00 H new ATOM 1523 N GLU A 93 13.012 7.626 -8.079 1.00 0.00 N ATOM 1524 CA GLU A 93 11.874 8.077 -7.288 1.00 0.00 C ATOM 1525 C GLU A 93 10.615 7.308 -7.683 1.00 0.00 C ATOM 1526 O GLU A 93 10.338 7.139 -8.869 1.00 0.00 O ATOM 1527 CB GLU A 93 11.652 9.578 -7.481 1.00 0.00 C ATOM 1528 CG GLU A 93 10.542 10.146 -6.611 1.00 0.00 C ATOM 1529 CD GLU A 93 10.271 11.611 -6.896 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.245 12.390 -6.981 1.00 0.00 O ATOM 1531 OE2 GLU A 93 9.086 11.979 -7.034 1.00 0.00 O ATOM 0 H GLU A 93 13.010 7.952 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 93 12.088 7.886 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.580 10.105 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.416 9.770 -8.528 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.629 9.573 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.811 10.027 -5.561 1.00 0.00 H new ATOM 1538 N PRO A 94 9.824 6.840 -6.698 1.00 0.00 N ATOM 1539 CA PRO A 94 8.594 6.096 -6.960 1.00 0.00 C ATOM 1540 C PRO A 94 7.469 7.014 -7.404 1.00 0.00 C ATOM 1541 O PRO A 94 7.182 8.015 -6.748 1.00 0.00 O ATOM 1542 CB PRO A 94 8.252 5.450 -5.604 1.00 0.00 C ATOM 1543 CG PRO A 94 9.392 5.778 -4.692 1.00 0.00 C ATOM 1544 CD PRO A 94 10.045 7.003 -5.260 1.00 0.00 C ATOM 0 HA PRO A 94 8.721 5.369 -7.763 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.313 5.841 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.131 4.371 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.038 5.961 -3.677 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.099 4.950 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.591 7.918 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.106 7.048 -5.015 1.00 0.00 H new ATOM 1552 N TRP A 95 6.828 6.676 -8.518 1.00 0.00 N ATOM 1553 CA TRP A 95 5.736 7.495 -9.019 1.00 0.00 C ATOM 1554 C TRP A 95 4.467 6.683 -9.213 1.00 0.00 C ATOM 1555 O TRP A 95 3.442 6.954 -8.589 1.00 0.00 O ATOM 1556 CB TRP A 95 6.112 8.176 -10.337 1.00 0.00 C ATOM 1557 CG TRP A 95 6.779 7.283 -11.353 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.108 7.002 -11.438 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.154 6.575 -12.437 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.358 6.185 -12.517 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.175 5.910 -13.147 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.833 6.441 -12.881 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.918 5.135 -14.275 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.580 5.666 -13.998 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.618 5.027 -14.687 1.00 0.00 C ATOM 0 H TRP A 95 7.043 5.854 -9.082 1.00 0.00 H new ATOM 0 HA TRP A 95 5.547 8.259 -8.265 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.209 8.595 -10.782 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.777 9.012 -10.119 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.860 7.368 -10.755 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.275 5.841 -12.801 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.026 6.934 -12.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.716 4.637 -14.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.564 5.552 -14.345 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.388 4.437 -15.562 1.00 0.00 H new ATOM 1576 N GLY A 96 4.541 5.693 -10.088 1.00 0.00 N ATOM 1577 CA GLY A 96 3.384 4.861 -10.356 1.00 0.00 C ATOM 1578 C GLY A 96 2.126 5.668 -10.625 1.00 0.00 C ATOM 1579 O GLY A 96 2.013 6.329 -11.658 1.00 0.00 O ATOM 0 H GLY A 96 5.378 5.450 -10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.592 4.224 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.212 4.202 -9.505 1.00 0.00 H new ATOM 1583 N LYS A 97 1.179 5.613 -9.692 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.078 6.343 -9.827 1.00 0.00 C ATOM 1585 C LYS A 97 -0.991 6.092 -8.627 1.00 0.00 C ATOM 1586 O LYS A 97 -2.168 5.767 -8.787 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.793 5.943 -11.119 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.522 7.095 -11.794 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.015 7.056 -11.509 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.556 8.437 -11.174 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.074 8.915 -9.849 1.00 0.00 N ATOM 0 H LYS A 97 1.259 5.069 -8.833 1.00 0.00 H new ATOM 0 HA LYS A 97 0.156 7.407 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.063 5.528 -11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.509 5.151 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.109 8.042 -11.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.355 7.051 -12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.542 6.659 -12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.210 6.377 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.253 9.143 -11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.646 8.410 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.671 9.703 -9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.125 8.138 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.089 9.239 -9.934 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.443 6.252 -7.426 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.216 6.051 -6.200 1.00 0.00 C ATOM 1607 C GLU A 98 -2.181 7.213 -5.980 1.00 0.00 C ATOM 1608 O GLU A 98 -3.295 7.023 -5.494 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.298 5.889 -4.975 1.00 0.00 C ATOM 1610 CG GLU A 98 1.121 6.406 -5.166 1.00 0.00 C ATOM 1611 CD GLU A 98 1.175 7.898 -5.437 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.830 8.311 -6.564 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.564 8.652 -4.522 1.00 0.00 O ATOM 0 H GLU A 98 0.529 6.519 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.787 5.130 -6.318 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.748 6.410 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.252 4.833 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.707 6.182 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.587 5.874 -5.995 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.747 8.416 -6.350 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.591 9.587 -6.194 1.00 0.00 C ATOM 1622 C GLY A 99 -2.188 10.468 -5.024 1.00 0.00 C ATOM 1623 O GLY A 99 -2.754 11.544 -4.832 1.00 0.00 O ATOM 0 H GLY A 99 -0.828 8.599 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.557 10.175 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.624 9.266 -6.059 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.215 10.018 -4.235 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.759 10.788 -3.081 1.00 0.00 C ATOM 1629 C GLN A 100 0.754 10.721 -2.930 1.00 0.00 C ATOM 1630 O GLN A 100 1.291 9.784 -2.339 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.435 10.282 -1.806 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.797 10.906 -1.550 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.940 9.965 -1.877 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.970 8.824 -1.417 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.889 10.442 -2.674 1.00 0.00 N ATOM 0 H GLN A 100 -0.730 9.131 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.036 11.829 -3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.547 9.200 -1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.785 10.486 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.865 11.205 -0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.895 11.813 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.823 11.395 -3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.684 9.856 -2.928 1.00 0.00 H new ATOM 1644 N PRO A 101 1.465 11.733 -3.456 1.00 0.00 N ATOM 1645 CA PRO A 101 2.925 11.807 -3.373 1.00 0.00 C ATOM 1646 C PRO A 101 3.447 11.440 -1.986 1.00 0.00 C ATOM 1647 O PRO A 101 2.815 11.747 -0.976 1.00 0.00 O ATOM 1648 CB PRO A 101 3.188 13.279 -3.669 1.00 0.00 C ATOM 1649 CG PRO A 101 2.114 13.655 -4.623 1.00 0.00 C ATOM 1650 CD PRO A 101 0.896 12.896 -4.173 1.00 0.00 C ATOM 0 HA PRO A 101 3.422 11.112 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.144 13.882 -2.762 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.177 13.428 -4.103 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.934 14.730 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.386 13.391 -5.645 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.264 13.500 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.280 12.586 -5.017 1.00 0.00 H new ATOM 1658 N GLY A 102 4.597 10.775 -1.944 1.00 0.00 N ATOM 1659 CA GLY A 102 5.171 10.374 -0.672 1.00 0.00 C ATOM 1660 C GLY A 102 6.656 10.671 -0.568 1.00 0.00 C ATOM 1661 O GLY A 102 7.273 11.147 -1.522 1.00 0.00 O ATOM 0 H GLY A 102 5.140 10.507 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.647 10.887 0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.009 9.306 -0.528 1.00 0.00 H new ATOM 1665 N GLU A 103 7.227 10.380 0.598 1.00 0.00 N ATOM 1666 CA GLU A 103 8.648 10.603 0.846 1.00 0.00 C ATOM 1667 C GLU A 103 9.233 9.435 1.636 1.00 0.00 C ATOM 1668 O GLU A 103 8.501 8.713 2.312 1.00 0.00 O ATOM 1669 CB GLU A 103 8.858 11.912 1.611 1.00 0.00 C ATOM 1670 CG GLU A 103 9.070 13.116 0.709 1.00 0.00 C ATOM 1671 CD GLU A 103 8.664 14.418 1.370 1.00 0.00 C ATOM 1672 OE1 GLU A 103 7.588 14.452 2.003 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.420 15.405 1.252 1.00 0.00 O ATOM 0 H GLU A 103 6.722 9.986 1.392 1.00 0.00 H new ATOM 0 HA GLU A 103 9.161 10.674 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.992 12.094 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.721 11.805 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.120 13.170 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.496 12.984 -0.208 1.00 0.00 H new ATOM 1680 N TRP A 104 10.548 9.245 1.550 1.00 0.00 N ATOM 1681 CA TRP A 104 11.193 8.147 2.271 1.00 0.00 C ATOM 1682 C TRP A 104 10.960 8.298 3.773 1.00 0.00 C ATOM 1683 O TRP A 104 11.551 9.161 4.420 1.00 0.00 O ATOM 1684 CB TRP A 104 12.703 8.094 1.978 1.00 0.00 C ATOM 1685 CG TRP A 104 13.089 8.651 0.639 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.410 8.506 -0.536 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.245 9.441 0.340 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.073 9.158 -1.547 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.202 9.740 -1.035 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.311 9.927 1.102 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.185 10.501 -1.662 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.286 10.683 0.478 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.217 10.963 -0.892 1.00 0.00 C ATOM 0 H TRP A 104 11.180 9.825 0.998 1.00 0.00 H new ATOM 0 HA TRP A 104 10.749 7.213 1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.232 8.646 2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.037 7.058 2.038 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.486 7.959 -0.654 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.773 9.202 -2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.372 9.716 2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.135 10.719 -2.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.114 11.064 1.057 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.995 11.556 -1.350 1.00 0.00 H new ATOM 1704 N MET A 105 10.088 7.453 4.317 1.00 0.00 N ATOM 1705 CA MET A 105 9.766 7.488 5.740 1.00 0.00 C ATOM 1706 C MET A 105 10.102 6.164 6.415 1.00 0.00 C ATOM 1707 O MET A 105 10.281 5.148 5.750 1.00 0.00 O ATOM 1708 CB MET A 105 8.287 7.817 5.950 1.00 0.00 C ATOM 1709 CG MET A 105 7.747 8.858 4.983 1.00 0.00 C ATOM 1710 SD MET A 105 6.525 9.944 5.743 1.00 0.00 S ATOM 1711 CE MET A 105 7.482 10.644 7.085 1.00 0.00 C ATOM 0 H MET A 105 9.591 6.734 3.792 1.00 0.00 H new ATOM 0 HA MET A 105 10.373 8.270 6.196 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.703 6.902 5.848 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.145 8.174 6.970 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.574 9.458 4.602 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.298 8.355 4.127 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.168 11.674 7.257 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.320 10.059 7.991 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.540 10.626 6.825 1.00 0.00 H new ATOM 1721 N SER A 106 10.175 6.183 7.739 1.00 0.00 N ATOM 1722 CA SER A 106 10.478 4.979 8.503 1.00 0.00 C ATOM 1723 C SER A 106 9.193 4.247 8.882 1.00 0.00 C ATOM 1724 O SER A 106 8.376 4.762 9.645 1.00 0.00 O ATOM 1725 CB SER A 106 11.269 5.332 9.764 1.00 0.00 C ATOM 1726 OG SER A 106 10.529 6.200 10.604 1.00 0.00 O ATOM 0 H SER A 106 10.029 7.018 8.307 1.00 0.00 H new ATOM 0 HA SER A 106 11.084 4.322 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.519 4.421 10.307 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.211 5.805 9.486 1.00 0.00 H new ATOM 0 HG SER A 106 9.586 5.933 10.600 1.00 0.00 H new ATOM 1732 N LEU A 107 9.021 3.044 8.342 1.00 0.00 N ATOM 1733 CA LEU A 107 7.832 2.244 8.625 1.00 0.00 C ATOM 1734 C LEU A 107 7.801 1.798 10.085 1.00 0.00 C ATOM 1735 O LEU A 107 6.752 1.421 10.607 1.00 0.00 O ATOM 1736 CB LEU A 107 7.775 1.027 7.698 1.00 0.00 C ATOM 1737 CG LEU A 107 6.437 0.824 6.980 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.363 0.395 7.967 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.019 2.097 6.259 1.00 0.00 C ATOM 0 H LEU A 107 9.687 2.602 7.708 1.00 0.00 H new ATOM 0 HA LEU A 107 6.957 2.868 8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.562 1.122 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 107 7.997 0.133 8.282 1.00 0.00 H new ATOM 0 HG LEU A 107 6.561 0.034 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.419 0.255 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.657 -0.542 8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.242 1.164 8.730 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.067 1.934 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.913 2.906 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.778 2.364 5.523 1.00 0.00 H new ATOM 1751 N VAL A 108 8.958 1.847 10.742 1.00 0.00 N ATOM 1752 CA VAL A 108 9.067 1.454 12.144 1.00 0.00 C ATOM 1753 C VAL A 108 8.059 2.200 13.023 1.00 0.00 C ATOM 1754 O VAL A 108 7.791 1.795 14.155 1.00 0.00 O ATOM 1755 CB VAL A 108 10.494 1.708 12.677 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.801 3.199 12.713 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.677 1.086 14.053 1.00 0.00 C ATOM 0 H VAL A 108 9.835 2.156 10.324 1.00 0.00 H new ATOM 0 HA VAL A 108 8.846 0.388 12.192 1.00 0.00 H new ATOM 0 HB VAL A 108 11.199 1.233 11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.811 3.353 13.092 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.724 3.611 11.707 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.088 3.702 13.366 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.690 1.278 14.407 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.960 1.523 14.748 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.512 0.010 13.991 1.00 0.00 H new ATOM 1767 N GLY A 109 7.499 3.287 12.498 1.00 0.00 N ATOM 1768 CA GLY A 109 6.530 4.061 13.248 1.00 0.00 C ATOM 1769 C GLY A 109 5.373 4.510 12.382 1.00 0.00 C ATOM 1770 O GLY A 109 5.071 5.701 12.297 1.00 0.00 O ATOM 0 H GLY A 109 7.701 3.644 11.564 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.152 3.463 14.077 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.019 4.934 13.681 1.00 0.00 H new ATOM 1774 N LEU A 110 4.730 3.549 11.733 1.00 0.00 N ATOM 1775 CA LEU A 110 3.599 3.830 10.854 1.00 0.00 C ATOM 1776 C LEU A 110 2.446 4.457 11.634 1.00 0.00 C ATOM 1777 O LEU A 110 2.288 4.216 12.830 1.00 0.00 O ATOM 1778 CB LEU A 110 3.137 2.544 10.173 1.00 0.00 C ATOM 1779 CG LEU A 110 2.425 2.737 8.833 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.256 3.611 7.904 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.143 1.390 8.188 1.00 0.00 C ATOM 0 H LEU A 110 4.973 2.561 11.798 1.00 0.00 H new ATOM 0 HA LEU A 110 3.922 4.541 10.094 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.004 1.903 10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.467 2.014 10.850 1.00 0.00 H new ATOM 0 HG LEU A 110 1.476 3.241 9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.732 3.736 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.411 4.587 8.364 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.221 3.137 7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.636 1.542 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.082 0.864 8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.508 0.797 8.846 1.00 0.00 H new ATOM 1793 N ASN A 111 1.658 5.285 10.952 1.00 0.00 N ATOM 1794 CA ASN A 111 0.538 5.974 11.586 1.00 0.00 C ATOM 1795 C ASN A 111 -0.797 5.279 11.342 1.00 0.00 C ATOM 1796 O ASN A 111 -1.457 5.519 10.330 1.00 0.00 O ATOM 1797 CB ASN A 111 0.467 7.419 11.091 1.00 0.00 C ATOM 1798 CG ASN A 111 0.198 8.401 12.215 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -0.943 8.575 12.644 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.251 9.050 12.699 1.00 0.00 N ATOM 0 H ASN A 111 1.775 5.495 9.961 1.00 0.00 H new ATOM 0 HA ASN A 111 0.719 5.954 12.661 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.405 7.679 10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.319 7.505 10.341 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.131 9.723 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.179 8.875 12.314 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.209 4.447 12.296 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.489 3.754 12.200 1.00 0.00 C ATOM 1809 C ALA A 112 -3.637 4.737 12.432 1.00 0.00 C ATOM 1810 O ALA A 112 -4.773 4.491 12.029 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.560 2.607 13.201 1.00 0.00 C ATOM 0 H ALA A 112 -0.677 4.238 13.141 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.581 3.335 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.523 2.105 13.111 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.760 1.896 12.997 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.448 2.999 14.212 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.327 5.853 13.092 1.00 0.00 N ATOM 1818 CA ASP A 113 -4.321 6.881 13.378 1.00 0.00 C ATOM 1819 C ASP A 113 -4.582 7.753 12.152 1.00 0.00 C ATOM 1820 O ASP A 113 -5.731 8.059 11.829 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.858 7.753 14.547 1.00 0.00 C ATOM 1822 CG ASP A 113 -5.010 8.457 15.236 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.738 9.210 14.556 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -5.185 8.255 16.456 1.00 0.00 O ATOM 0 H ASP A 113 -2.392 6.066 13.439 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.252 6.382 13.647 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.329 7.134 15.271 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.147 8.495 14.184 1.00 0.00 H new ATOM 1829 N ASP A 114 -3.507 8.159 11.477 1.00 0.00 N ATOM 1830 CA ASP A 114 -3.616 9.007 10.292 1.00 0.00 C ATOM 1831 C ASP A 114 -4.289 8.265 9.142 1.00 0.00 C ATOM 1832 O ASP A 114 -5.123 8.828 8.434 1.00 0.00 O ATOM 1833 CB ASP A 114 -2.236 9.500 9.863 1.00 0.00 C ATOM 1834 CG ASP A 114 -2.123 11.012 9.900 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -2.227 11.588 11.004 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -1.932 11.619 8.826 1.00 0.00 O ATOM 0 H ASP A 114 -2.550 7.914 11.731 1.00 0.00 H new ATOM 0 HA ASP A 114 -4.236 9.866 10.551 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -1.479 9.066 10.516 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -2.025 9.148 8.853 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.932 6.999 8.968 1.00 0.00 N ATOM 1842 CA PHE A 115 -4.514 6.184 7.911 1.00 0.00 C ATOM 1843 C PHE A 115 -5.908 5.715 8.346 1.00 0.00 C ATOM 1844 O PHE A 115 -6.317 5.974 9.477 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.573 5.007 7.581 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.990 3.682 8.147 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.304 3.567 9.484 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -4.052 2.552 7.345 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.675 2.355 10.021 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.425 1.337 7.875 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.735 1.238 9.214 1.00 0.00 C ATOM 0 H PHE A 115 -3.243 6.515 9.544 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.630 6.768 6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.498 4.915 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.575 5.245 7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.258 4.439 10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.806 2.626 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.918 2.279 11.071 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.474 0.463 7.242 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.025 0.285 9.632 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.670 5.043 7.466 1.00 0.00 N ATOM 1862 CA PRO A 116 -8.021 4.585 7.807 1.00 0.00 C ATOM 1863 C PRO A 116 -8.042 3.742 9.083 1.00 0.00 C ATOM 1864 O PRO A 116 -7.283 2.783 9.215 1.00 0.00 O ATOM 1865 CB PRO A 116 -8.446 3.744 6.593 1.00 0.00 C ATOM 1866 CG PRO A 116 -7.200 3.523 5.800 1.00 0.00 C ATOM 1867 CD PRO A 116 -6.307 4.695 6.087 1.00 0.00 C ATOM 0 HA PRO A 116 -8.692 5.421 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.884 2.796 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -9.200 4.263 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.718 2.588 6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.423 3.455 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -5.253 4.433 5.999 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.488 5.521 5.399 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.913 4.100 10.050 1.00 0.00 N ATOM 1876 CA PRO A 117 -9.024 3.380 11.327 1.00 0.00 C ATOM 1877 C PRO A 117 -9.602 1.981 11.161 1.00 0.00 C ATOM 1878 O PRO A 117 -9.162 1.037 11.815 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.974 4.254 12.151 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.773 5.002 11.141 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.850 5.238 9.980 1.00 0.00 C ATOM 0 HA PRO A 117 -8.049 3.231 11.791 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.614 3.648 12.792 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.423 4.933 12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.649 4.430 10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -11.136 5.945 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -10.391 5.255 9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.330 6.192 10.067 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.587 1.848 10.279 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.214 0.555 10.030 1.00 0.00 C ATOM 1891 C ALA A 118 -10.264 -0.392 9.309 1.00 0.00 C ATOM 1892 O ALA A 118 -10.545 -1.582 9.161 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.499 0.732 9.236 1.00 0.00 C ATOM 0 H ALA A 118 -10.967 2.617 9.727 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.458 0.109 10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.954 -0.242 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.191 1.359 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.274 1.207 8.281 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.144 0.148 8.860 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.144 -0.622 8.147 1.00 0.00 C ATOM 1901 C ASN A 119 -6.952 -0.948 9.053 1.00 0.00 C ATOM 1902 O ASN A 119 -5.879 -1.314 8.573 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.691 0.194 6.941 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.582 -0.015 5.729 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.521 -0.810 5.763 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -8.300 0.710 4.650 1.00 0.00 N ATOM 0 H ASN A 119 -8.904 1.132 8.980 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.572 -1.570 7.822 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.684 1.252 7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.667 -0.078 6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.871 0.618 3.810 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.512 1.358 4.663 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.148 -0.796 10.368 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.092 -1.052 11.352 1.00 0.00 C ATOM 1915 C GLU A 120 -5.709 -2.531 11.464 1.00 0.00 C ATOM 1916 O GLU A 120 -4.552 -2.840 11.740 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.507 -0.518 12.726 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.554 0.527 13.283 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.686 -0.011 14.404 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -5.131 0.033 15.571 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -3.563 -0.476 14.116 1.00 0.00 O ATOM 0 H GLU A 120 -8.033 -0.495 10.776 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.207 -0.524 10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.505 -0.086 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.571 -1.351 13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.916 0.896 12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.128 1.378 13.650 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.651 -3.475 11.271 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.345 -4.906 11.381 1.00 0.00 C ATOM 1930 C PRO A 121 -5.042 -5.286 10.681 1.00 0.00 C ATOM 1931 O PRO A 121 -4.320 -6.174 11.134 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.542 -5.561 10.698 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.671 -4.627 10.963 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.076 -3.242 10.954 1.00 0.00 C ATOM 0 HA PRO A 121 -6.198 -5.219 12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.371 -5.686 9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.741 -6.552 11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.445 -4.724 10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.140 -4.844 11.923 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.197 -2.760 9.984 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.551 -2.597 11.693 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.740 -4.601 9.583 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.517 -4.857 8.832 1.00 0.00 C ATOM 1944 C VAL A 122 -2.312 -4.226 9.519 1.00 0.00 C ATOM 1945 O VAL A 122 -1.294 -4.882 9.742 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.613 -4.304 7.391 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.233 -4.147 6.769 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.474 -5.205 6.529 1.00 0.00 C ATOM 0 H VAL A 122 -5.327 -3.863 9.193 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.391 -5.939 8.793 1.00 0.00 H new ATOM 0 HB VAL A 122 -4.078 -3.319 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.333 -3.757 5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.641 -3.455 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.736 -5.117 6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.529 -4.798 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.036 -6.203 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.477 -5.263 6.952 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.431 -2.941 9.832 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.348 -2.212 10.470 1.00 0.00 C ATOM 1960 C ILE A 123 -1.106 -2.696 11.891 1.00 0.00 C ATOM 1961 O ILE A 123 0.024 -2.709 12.358 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.614 -0.695 10.491 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.018 -0.208 9.101 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.376 0.047 10.966 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.885 -0.253 8.103 1.00 0.00 C ATOM 0 H ILE A 123 -3.267 -2.385 9.653 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.457 -2.406 9.872 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.432 -0.494 11.183 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.842 -0.820 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.389 0.814 9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.576 1.118 10.977 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.117 -0.284 11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.454 -0.161 10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.238 0.106 7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -0.069 0.381 8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.530 -1.278 8.002 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.162 -3.102 12.578 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.025 -3.587 13.945 1.00 0.00 C ATOM 1979 C ALA A 124 -1.004 -4.719 14.018 1.00 0.00 C ATOM 1980 O ALA A 124 -0.374 -4.935 15.052 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.371 -4.049 14.482 1.00 0.00 C ATOM 0 H ALA A 124 -3.116 -3.106 12.217 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.667 -2.765 14.565 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.251 -4.408 15.504 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.073 -3.215 14.470 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.755 -4.855 13.857 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.849 -5.440 12.910 1.00 0.00 N ATOM 1988 CA LYS A 125 0.095 -6.553 12.848 1.00 0.00 C ATOM 1989 C LYS A 125 1.530 -6.072 12.616 1.00 0.00 C ATOM 1990 O LYS A 125 2.441 -6.434 13.360 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.309 -7.526 11.739 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.530 -8.365 12.082 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.211 -9.402 13.145 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.357 -9.559 14.132 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.536 -10.976 14.556 1.00 0.00 N ATOM 0 H LYS A 125 -1.363 -5.274 12.045 1.00 0.00 H new ATOM 0 HA LYS A 125 0.064 -7.061 13.812 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.510 -6.963 10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.529 -8.189 11.526 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.332 -7.716 12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.895 -8.863 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.005 -10.361 12.669 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.307 -9.111 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.169 -8.939 15.008 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.279 -9.197 13.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.327 -11.040 15.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.741 -11.564 13.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.665 -11.314 15.013 1.00 0.00 H new ATOM 2009 N LEU A 126 1.727 -5.269 11.573 1.00 0.00 N ATOM 2010 CA LEU A 126 3.053 -4.757 11.234 1.00 0.00 C ATOM 2011 C LEU A 126 3.456 -3.596 12.139 1.00 0.00 C ATOM 2012 O LEU A 126 4.632 -3.425 12.457 1.00 0.00 O ATOM 2013 CB LEU A 126 3.088 -4.309 9.772 1.00 0.00 C ATOM 2014 CG LEU A 126 4.487 -4.197 9.164 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.861 -5.484 8.446 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.562 -3.013 8.212 1.00 0.00 C ATOM 0 H LEU A 126 0.984 -4.958 10.947 1.00 0.00 H new ATOM 0 HA LEU A 126 3.767 -5.566 11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.505 -5.013 9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.595 -3.340 9.693 1.00 0.00 H new ATOM 0 HG LEU A 126 5.201 -4.034 9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.859 -5.386 8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.849 -6.313 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.143 -5.677 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.565 -2.949 7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.837 -3.145 7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.338 -2.095 8.755 1.00 0.00 H new ATOM 2028 N LYS A 127 2.476 -2.800 12.546 1.00 0.00 N ATOM 2029 CA LYS A 127 2.724 -1.650 13.412 1.00 0.00 C ATOM 2030 C LYS A 127 3.474 -2.065 14.664 1.00 0.00 C ATOM 2031 O LYS A 127 4.416 -1.397 15.090 1.00 0.00 O ATOM 2032 CB LYS A 127 1.408 -1.005 13.809 1.00 0.00 C ATOM 2033 CG LYS A 127 1.567 0.222 14.688 1.00 0.00 C ATOM 2034 CD LYS A 127 0.289 1.044 14.740 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.779 0.360 15.577 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.479 0.442 17.034 1.00 0.00 N ATOM 0 H LYS A 127 1.497 -2.929 12.290 1.00 0.00 H new ATOM 0 HA LYS A 127 3.333 -0.936 12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.864 -0.726 12.906 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.798 -1.740 14.334 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.843 -0.086 15.696 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.382 0.839 14.308 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.505 2.028 15.157 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.085 1.201 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.746 0.821 15.379 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.858 -0.686 15.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.310 0.134 17.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.328 -0.174 17.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.245 1.424 17.286 1.00 0.00 H new ATOM 2050 N ARG A 128 3.063 -3.187 15.237 1.00 0.00 N ATOM 2051 CA ARG A 128 3.711 -3.709 16.427 1.00 0.00 C ATOM 2052 C ARG A 128 5.135 -4.136 16.091 1.00 0.00 C ATOM 2053 O ARG A 128 5.933 -4.430 16.981 1.00 0.00 O ATOM 2054 CB ARG A 128 2.921 -4.890 16.991 1.00 0.00 C ATOM 2055 CG ARG A 128 3.378 -5.322 18.376 1.00 0.00 C ATOM 2056 CD ARG A 128 2.885 -6.719 18.716 1.00 0.00 C ATOM 2057 NE ARG A 128 1.538 -6.702 19.281 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.026 -7.695 20.005 1.00 0.00 C ATOM 2059 NH1 ARG A 128 1.743 -8.785 20.255 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.207 -7.597 20.483 1.00 0.00 N ATOM 0 H ARG A 128 2.285 -3.751 14.896 1.00 0.00 H new ATOM 0 HA ARG A 128 3.743 -2.926 17.185 1.00 0.00 H new ATOM 0 HB2 ARG A 128 1.865 -4.623 17.033 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.010 -5.735 16.308 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.467 -5.298 18.425 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.010 -4.614 19.119 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.893 -7.335 17.817 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.570 -7.182 19.426 1.00 0.00 H new ATOM 0 HE ARG A 128 0.956 -5.882 19.111 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.693 -8.865 19.891 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.344 -9.542 20.811 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.762 -6.762 20.296 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.601 -8.357 21.038 1.00 0.00 H new ATOM 2074 N LEU A 129 5.447 -4.160 14.795 1.00 0.00 N ATOM 2075 CA LEU A 129 6.778 -4.544 14.337 1.00 0.00 C ATOM 2076 C LEU A 129 7.138 -5.946 14.821 1.00 0.00 C ATOM 2077 O LEU A 129 8.311 -6.261 15.025 1.00 0.00 O ATOM 2078 CB LEU A 129 7.816 -3.533 14.835 1.00 0.00 C ATOM 2079 CG LEU A 129 8.105 -2.359 13.890 1.00 0.00 C ATOM 2080 CD1 LEU A 129 6.860 -1.966 13.106 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.635 -1.168 14.673 1.00 0.00 C ATOM 0 H LEU A 129 4.797 -3.918 14.047 1.00 0.00 H new ATOM 0 HA LEU A 129 6.777 -4.549 13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.477 -3.132 15.790 1.00 0.00 H new ATOM 0 HB3 LEU A 129 8.750 -4.062 15.025 1.00 0.00 H new ATOM 0 HG LEU A 129 8.865 -2.679 13.177 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.095 -1.132 12.445 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.521 -2.815 12.513 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.072 -1.669 13.799 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.835 -0.343 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.893 -0.857 15.409 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.557 -1.449 15.183 1.00 0.00 H new