USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 544 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Set 1.1: A 109 MET CE :methyl 163:sc= 0 (180deg=-0.443) USER MOD Set 1.2: A 124 MET CE :methyl 158:sc= -0.205 (180deg=-1.45) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.67) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.325 USER MOD Single : A 107 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.9!) USER MOD Single : A 111 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.9!) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -0.0631 (180deg=-0.613) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.609 USER MOD Single : A 123 GLN : amide:sc= 0.0496 K(o=0.05,f=-2) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -3.96! C(o=-4!,f=-5.1!) USER MOD Single : A 137 ASN : amide:sc= -1.05! C(o=-1!,f=-15!) USER MOD Single : A 138 TYR OH : rot 97:sc= -0.147 USER MOD Single : A 143 LYS NZ :NH3+ -162:sc= -0.0274 (180deg=-0.363) USER MOD Single : A 144 MET CE :methyl 139:sc= -0.242 (180deg=-1.44!) USER MOD Single : A 145 MET CE :methyl 158:sc= -0.639 (180deg=-2.27!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 69:sc= 0.532 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -17.125 -8.779 6.272 1.00 0.00 N ATOM 2 CA ASP A 80 -17.578 -8.298 4.935 1.00 0.00 C ATOM 3 C ASP A 80 -16.396 -7.697 4.177 1.00 0.00 C ATOM 4 O ASP A 80 -15.398 -7.302 4.779 1.00 0.00 O ATOM 5 CB ASP A 80 -18.668 -7.241 5.121 1.00 0.00 C ATOM 6 CG ASP A 80 -19.958 -7.902 5.595 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.997 -9.121 5.634 1.00 0.00 O ATOM 8 OD2 ASP A 80 -20.888 -7.180 5.917 1.00 0.00 O ATOM 0 HA ASP A 80 -17.979 -9.134 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.343 -6.495 5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.842 -6.717 4.181 1.00 0.00 H new ATOM 15 N ALA A 81 -16.512 -7.627 2.854 1.00 0.00 N ATOM 16 CA ALA A 81 -15.434 -7.066 2.048 1.00 0.00 C ATOM 17 C ALA A 81 -15.111 -5.655 2.525 1.00 0.00 C ATOM 18 O ALA A 81 -13.950 -5.324 2.767 1.00 0.00 O ATOM 19 CB ALA A 81 -15.836 -7.039 0.573 1.00 0.00 C ATOM 0 H ALA A 81 -17.325 -7.945 2.326 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.549 -7.692 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.023 -6.618 -0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.044 -8.054 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.729 -6.426 0.450 1.00 0.00 H new ATOM 25 N GLU A 82 -16.140 -4.827 2.672 1.00 0.00 N ATOM 26 CA GLU A 82 -15.935 -3.463 3.130 1.00 0.00 C ATOM 27 C GLU A 82 -15.406 -3.448 4.561 1.00 0.00 C ATOM 28 O GLU A 82 -14.573 -2.614 4.915 1.00 0.00 O ATOM 29 CB GLU A 82 -17.253 -2.677 3.049 1.00 0.00 C ATOM 30 CG GLU A 82 -16.943 -1.211 2.762 1.00 0.00 C ATOM 31 CD GLU A 82 -16.003 -0.663 3.832 1.00 0.00 C ATOM 32 OE1 GLU A 82 -16.269 -0.887 5.000 1.00 0.00 O ATOM 33 OE2 GLU A 82 -15.026 -0.030 3.466 1.00 0.00 O ATOM 0 H GLU A 82 -17.111 -5.075 2.483 1.00 0.00 H new ATOM 0 HA GLU A 82 -15.196 -2.990 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.888 -3.088 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.804 -2.769 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.485 -1.112 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.866 -0.631 2.744 1.00 0.00 H new ATOM 40 N GLU A 83 -15.879 -4.382 5.373 1.00 0.00 N ATOM 41 CA GLU A 83 -15.413 -4.461 6.750 1.00 0.00 C ATOM 42 C GLU A 83 -13.942 -4.858 6.751 1.00 0.00 C ATOM 43 O GLU A 83 -13.073 -4.055 7.095 1.00 0.00 O ATOM 44 CB GLU A 83 -16.236 -5.478 7.541 1.00 0.00 C ATOM 45 CG GLU A 83 -15.755 -5.507 8.994 1.00 0.00 C ATOM 46 CD GLU A 83 -16.616 -6.466 9.805 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.323 -7.252 9.196 1.00 0.00 O ATOM 48 OE2 GLU A 83 -16.565 -6.395 11.021 1.00 0.00 O ATOM 0 H GLU A 83 -16.572 -5.083 5.110 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.532 -3.488 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -17.293 -5.215 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -16.137 -6.467 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.711 -5.818 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.806 -4.506 9.423 1.00 0.00 H new ATOM 55 N GLU A 84 -13.663 -6.099 6.368 1.00 0.00 N ATOM 56 CA GLU A 84 -12.288 -6.577 6.339 1.00 0.00 C ATOM 57 C GLU A 84 -11.385 -5.555 5.656 1.00 0.00 C ATOM 58 O GLU A 84 -10.247 -5.347 6.076 1.00 0.00 O ATOM 59 CB GLU A 84 -12.211 -7.916 5.601 1.00 0.00 C ATOM 60 CG GLU A 84 -10.804 -8.506 5.750 1.00 0.00 C ATOM 61 CD GLU A 84 -10.552 -8.896 7.203 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.519 -9.070 7.926 1.00 0.00 O ATOM 63 OE2 GLU A 84 -9.395 -9.012 7.573 1.00 0.00 O ATOM 0 H GLU A 84 -14.361 -6.783 6.077 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.947 -6.716 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.951 -8.608 6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.447 -7.775 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.697 -9.380 5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.060 -7.779 5.426 1.00 0.00 H new ATOM 70 N LEU A 85 -11.887 -4.912 4.604 1.00 0.00 N ATOM 71 CA LEU A 85 -11.086 -3.922 3.898 1.00 0.00 C ATOM 72 C LEU A 85 -10.705 -2.779 4.837 1.00 0.00 C ATOM 73 O LEU A 85 -9.548 -2.362 4.883 1.00 0.00 O ATOM 74 CB LEU A 85 -11.862 -3.370 2.692 1.00 0.00 C ATOM 75 CG LEU A 85 -11.038 -2.274 1.992 1.00 0.00 C ATOM 76 CD1 LEU A 85 -9.676 -2.849 1.569 1.00 0.00 C ATOM 77 CD2 LEU A 85 -11.792 -1.754 0.759 1.00 0.00 C ATOM 0 H LEU A 85 -12.825 -5.056 4.230 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.176 -4.405 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.081 -4.175 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.819 -2.964 3.020 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.882 -1.445 2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.092 -2.074 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.139 -3.200 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.830 -3.682 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.201 -0.979 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.960 -2.575 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.751 -1.338 1.068 1.00 0.00 H new ATOM 89 N LYS A 86 -11.674 -2.279 5.592 1.00 0.00 N ATOM 90 CA LYS A 86 -11.401 -1.194 6.521 1.00 0.00 C ATOM 91 C LYS A 86 -10.390 -1.638 7.571 1.00 0.00 C ATOM 92 O LYS A 86 -9.511 -0.871 7.966 1.00 0.00 O ATOM 93 CB LYS A 86 -12.695 -0.738 7.198 1.00 0.00 C ATOM 94 CG LYS A 86 -13.563 0.033 6.183 1.00 0.00 C ATOM 95 CD LYS A 86 -13.169 1.523 6.187 1.00 0.00 C ATOM 96 CE LYS A 86 -13.968 2.260 7.263 1.00 0.00 C ATOM 97 NZ LYS A 86 -13.410 3.626 7.442 1.00 0.00 N ATOM 0 H LYS A 86 -12.641 -2.602 5.580 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.982 -0.357 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.242 -1.600 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.466 -0.102 8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.430 -0.385 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.618 -0.075 6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.101 1.627 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.363 1.964 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.018 2.319 6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.925 1.711 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.952 4.129 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.414 3.559 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.473 4.147 6.544 1.00 0.00 H new ATOM 111 N GLU A 87 -10.515 -2.882 8.023 1.00 0.00 N ATOM 112 CA GLU A 87 -9.594 -3.402 9.020 1.00 0.00 C ATOM 113 C GLU A 87 -8.200 -3.549 8.420 1.00 0.00 C ATOM 114 O GLU A 87 -7.221 -3.047 8.968 1.00 0.00 O ATOM 115 CB GLU A 87 -10.086 -4.757 9.527 1.00 0.00 C ATOM 116 CG GLU A 87 -9.265 -5.176 10.746 1.00 0.00 C ATOM 117 CD GLU A 87 -9.587 -4.272 11.933 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.637 -3.652 11.914 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.776 -4.214 12.843 1.00 0.00 O ATOM 0 H GLU A 87 -11.234 -3.538 7.719 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.548 -2.703 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.142 -4.697 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.996 -5.506 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.481 -6.214 11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.201 -5.120 10.514 1.00 0.00 H new ATOM 126 N ALA A 88 -8.112 -4.239 7.285 1.00 0.00 N ATOM 127 CA ALA A 88 -6.825 -4.434 6.636 1.00 0.00 C ATOM 128 C ALA A 88 -6.129 -3.088 6.457 1.00 0.00 C ATOM 129 O ALA A 88 -4.937 -2.956 6.730 1.00 0.00 O ATOM 130 CB ALA A 88 -7.016 -5.109 5.277 1.00 0.00 C ATOM 0 H ALA A 88 -8.905 -4.665 6.805 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.206 -5.077 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.046 -5.250 4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.496 -6.078 5.416 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.643 -4.481 4.644 1.00 0.00 H new ATOM 136 N PHE A 89 -6.883 -2.087 6.014 1.00 0.00 N ATOM 137 CA PHE A 89 -6.320 -0.756 5.819 1.00 0.00 C ATOM 138 C PHE A 89 -5.715 -0.250 7.127 1.00 0.00 C ATOM 139 O PHE A 89 -4.594 0.255 7.147 1.00 0.00 O ATOM 140 CB PHE A 89 -7.405 0.211 5.345 1.00 0.00 C ATOM 141 CG PHE A 89 -6.797 1.571 5.095 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.175 1.847 3.871 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.847 2.555 6.088 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.606 3.102 3.640 1.00 0.00 C ATOM 145 CE2 PHE A 89 -6.273 3.812 5.859 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.654 4.085 4.633 1.00 0.00 C ATOM 0 H PHE A 89 -7.874 -2.170 5.786 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.539 -0.813 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.868 -0.165 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.193 0.286 6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.135 1.088 3.104 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.328 2.345 7.032 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.129 3.313 2.694 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.308 4.570 6.627 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.214 5.055 4.454 1.00 0.00 H new ATOM 156 N LYS A 90 -6.453 -0.410 8.223 1.00 0.00 N ATOM 157 CA LYS A 90 -5.960 0.024 9.524 1.00 0.00 C ATOM 158 C LYS A 90 -4.673 -0.712 9.886 1.00 0.00 C ATOM 159 O LYS A 90 -3.791 -0.149 10.535 1.00 0.00 O ATOM 160 CB LYS A 90 -7.030 -0.223 10.593 1.00 0.00 C ATOM 161 CG LYS A 90 -8.228 0.711 10.359 1.00 0.00 C ATOM 162 CD LYS A 90 -7.952 2.079 10.994 1.00 0.00 C ATOM 163 CE LYS A 90 -9.158 2.991 10.792 1.00 0.00 C ATOM 164 NZ LYS A 90 -8.894 4.305 11.441 1.00 0.00 N ATOM 0 H LYS A 90 -7.382 -0.831 8.236 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.741 1.091 9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.356 -1.263 10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.612 -0.051 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.408 0.826 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.130 0.275 10.789 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.746 1.962 12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.066 2.527 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.350 3.130 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.050 2.534 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.714 4.930 11.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.731 4.163 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.052 4.741 11.013 1.00 0.00 H new ATOM 178 N VAL A 91 -4.564 -1.965 9.461 1.00 0.00 N ATOM 179 CA VAL A 91 -3.364 -2.746 9.740 1.00 0.00 C ATOM 180 C VAL A 91 -2.195 -2.254 8.886 1.00 0.00 C ATOM 181 O VAL A 91 -1.064 -2.159 9.358 1.00 0.00 O ATOM 182 CB VAL A 91 -3.622 -4.232 9.495 1.00 0.00 C ATOM 183 CG1 VAL A 91 -2.337 -5.026 9.754 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.717 -4.714 10.451 1.00 0.00 C ATOM 0 H VAL A 91 -5.281 -2.457 8.929 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.102 -2.613 10.790 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.938 -4.383 8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.523 -6.086 9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.553 -4.679 9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.020 -4.879 10.787 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.907 -5.774 10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.393 -4.563 11.481 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.631 -4.149 10.271 1.00 0.00 H new ATOM 194 N PHE A 92 -2.469 -1.961 7.619 1.00 0.00 N ATOM 195 CA PHE A 92 -1.417 -1.494 6.718 1.00 0.00 C ATOM 196 C PHE A 92 -0.807 -0.202 7.242 1.00 0.00 C ATOM 197 O PHE A 92 0.390 0.032 7.092 1.00 0.00 O ATOM 198 CB PHE A 92 -1.976 -1.242 5.303 1.00 0.00 C ATOM 199 CG PHE A 92 -1.939 -2.515 4.492 1.00 0.00 C ATOM 200 CD1 PHE A 92 -2.302 -3.730 5.081 1.00 0.00 C ATOM 201 CD2 PHE A 92 -1.544 -2.479 3.149 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.271 -4.906 4.331 1.00 0.00 C ATOM 203 CE2 PHE A 92 -1.513 -3.654 2.399 1.00 0.00 C ATOM 204 CZ PHE A 92 -1.878 -4.871 2.990 1.00 0.00 C ATOM 0 H PHE A 92 -3.394 -2.036 7.196 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.654 -2.270 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.000 -0.874 5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.391 -0.468 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.606 -3.758 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.263 -1.541 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.551 -5.844 4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.208 -3.626 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.856 -5.782 2.410 1.00 0.00 H new ATOM 214 N ASP A 93 -1.637 0.640 7.839 1.00 0.00 N ATOM 215 CA ASP A 93 -1.154 1.911 8.350 1.00 0.00 C ATOM 216 C ASP A 93 -0.268 1.705 9.579 1.00 0.00 C ATOM 217 O ASP A 93 -0.708 1.910 10.710 1.00 0.00 O ATOM 218 CB ASP A 93 -2.341 2.805 8.716 1.00 0.00 C ATOM 219 CG ASP A 93 -1.889 4.254 8.854 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.805 4.569 8.391 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.635 5.021 9.422 1.00 0.00 O ATOM 0 H ASP A 93 -2.633 0.469 7.980 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.559 2.390 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.112 2.729 7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.786 2.465 9.651 1.00 0.00 H new ATOM 226 N LYS A 94 0.979 1.299 9.353 1.00 0.00 N ATOM 227 CA LYS A 94 1.893 1.071 10.466 1.00 0.00 C ATOM 228 C LYS A 94 1.975 2.322 11.339 1.00 0.00 C ATOM 229 O LYS A 94 1.825 2.247 12.558 1.00 0.00 O ATOM 230 CB LYS A 94 3.286 0.716 9.938 1.00 0.00 C ATOM 231 CG LYS A 94 4.197 0.315 11.102 1.00 0.00 C ATOM 232 CD LYS A 94 5.559 -0.118 10.554 1.00 0.00 C ATOM 233 CE LYS A 94 6.465 -0.543 11.713 1.00 0.00 C ATOM 234 NZ LYS A 94 7.771 -1.016 11.175 1.00 0.00 N ATOM 0 H LYS A 94 1.373 1.124 8.428 1.00 0.00 H new ATOM 0 HA LYS A 94 1.517 0.241 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.215 -0.102 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.712 1.568 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.318 1.153 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.745 -0.499 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.435 -0.944 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.018 0.702 10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.621 0.295 12.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.988 -1.336 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.387 -1.305 11.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.613 -1.827 10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.227 -0.247 10.643 1.00 0.00 H new ATOM 248 N ASP A 95 2.208 3.470 10.715 1.00 0.00 N ATOM 249 CA ASP A 95 2.308 4.722 11.456 1.00 0.00 C ATOM 250 C ASP A 95 0.929 5.160 11.933 1.00 0.00 C ATOM 251 O ASP A 95 0.784 6.191 12.586 1.00 0.00 O ATOM 252 CB ASP A 95 2.907 5.817 10.570 1.00 0.00 C ATOM 253 CG ASP A 95 4.055 5.251 9.748 1.00 0.00 C ATOM 254 OD1 ASP A 95 5.120 5.045 10.309 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.851 5.027 8.563 1.00 0.00 O ATOM 0 H ASP A 95 2.330 3.561 9.706 1.00 0.00 H new ATOM 0 HA ASP A 95 2.956 4.561 12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.140 6.221 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.263 6.642 11.187 1.00 0.00 H new ATOM 260 N GLN A 96 -0.082 4.372 11.597 1.00 0.00 N ATOM 261 CA GLN A 96 -1.447 4.697 11.997 1.00 0.00 C ATOM 262 C GLN A 96 -1.737 6.177 11.719 1.00 0.00 C ATOM 263 O GLN A 96 -2.463 6.828 12.466 1.00 0.00 O ATOM 264 CB GLN A 96 -1.634 4.417 13.496 1.00 0.00 C ATOM 265 CG GLN A 96 -3.128 4.279 13.821 1.00 0.00 C ATOM 266 CD GLN A 96 -3.668 2.978 13.242 1.00 0.00 C ATOM 267 OE1 GLN A 96 -3.045 1.928 13.385 1.00 0.00 O ATOM 268 NE2 GLN A 96 -4.798 2.985 12.588 1.00 0.00 N ATOM 0 H GLN A 96 0.012 3.513 11.055 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.137 4.079 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.107 3.504 13.772 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.199 5.226 14.083 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.277 4.296 14.901 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.678 5.126 13.410 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.314 3.857 12.470 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.165 2.118 12.195 1.00 0.00 H new ATOM 277 N ASN A 97 -1.149 6.715 10.654 1.00 0.00 N ATOM 278 CA ASN A 97 -1.350 8.127 10.322 1.00 0.00 C ATOM 279 C ASN A 97 -2.570 8.318 9.428 1.00 0.00 C ATOM 280 O ASN A 97 -2.957 9.444 9.128 1.00 0.00 O ATOM 281 CB ASN A 97 -0.116 8.677 9.612 1.00 0.00 C ATOM 282 CG ASN A 97 0.045 7.988 8.264 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.575 6.953 8.020 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.840 8.502 7.368 1.00 0.00 N ATOM 0 H ASN A 97 -0.539 6.207 10.014 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.514 8.668 11.254 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.214 9.754 9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.771 8.514 10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.950 8.046 6.462 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.353 9.360 7.573 1.00 0.00 H new ATOM 291 N GLY A 98 -3.182 7.218 9.004 1.00 0.00 N ATOM 292 CA GLY A 98 -4.363 7.288 8.145 1.00 0.00 C ATOM 293 C GLY A 98 -3.983 7.159 6.674 1.00 0.00 C ATOM 294 O GLY A 98 -4.843 6.947 5.821 1.00 0.00 O ATOM 0 H GLY A 98 -2.884 6.271 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.059 6.494 8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.879 8.234 8.308 1.00 0.00 H new ATOM 298 N TYR A 99 -2.690 7.293 6.377 1.00 0.00 N ATOM 299 CA TYR A 99 -2.201 7.190 4.995 1.00 0.00 C ATOM 300 C TYR A 99 -1.148 6.095 4.879 1.00 0.00 C ATOM 301 O TYR A 99 -0.222 6.039 5.685 1.00 0.00 O ATOM 302 CB TYR A 99 -1.580 8.533 4.575 1.00 0.00 C ATOM 303 CG TYR A 99 -2.664 9.467 4.093 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.633 9.934 4.986 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.707 9.853 2.748 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.646 10.784 4.537 1.00 0.00 C ATOM 307 CE2 TYR A 99 -3.717 10.707 2.298 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.688 11.173 3.192 1.00 0.00 C ATOM 309 OH TYR A 99 -5.687 12.015 2.748 1.00 0.00 O ATOM 0 H TYR A 99 -1.962 7.472 7.069 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.040 6.943 4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.051 8.979 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.846 8.374 3.785 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.598 9.637 6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.959 9.491 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.397 11.141 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.749 11.007 1.261 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.569 12.186 1.790 1.00 0.00 H new ATOM 319 N ILE A 100 -1.273 5.231 3.871 1.00 0.00 N ATOM 320 CA ILE A 100 -0.286 4.170 3.696 1.00 0.00 C ATOM 321 C ILE A 100 0.926 4.739 2.960 1.00 0.00 C ATOM 322 O ILE A 100 0.787 5.325 1.885 1.00 0.00 O ATOM 323 CB ILE A 100 -0.866 2.999 2.897 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.260 2.633 3.427 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.069 1.794 3.033 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.816 1.457 2.618 1.00 0.00 C ATOM 0 H ILE A 100 -2.025 5.243 3.182 1.00 0.00 H new ATOM 0 HA ILE A 100 0.005 3.798 4.678 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.955 3.285 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.202 2.368 4.483 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.928 3.491 3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.335 0.954 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.054 2.052 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.154 1.516 4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.806 1.194 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.888 1.739 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.151 0.599 2.719 1.00 0.00 H new ATOM 338 N SER A 101 2.109 4.575 3.549 1.00 0.00 N ATOM 339 CA SER A 101 3.341 5.093 2.940 1.00 0.00 C ATOM 340 C SER A 101 4.012 4.016 2.094 1.00 0.00 C ATOM 341 O SER A 101 3.867 2.829 2.368 1.00 0.00 O ATOM 342 CB SER A 101 4.308 5.557 4.033 1.00 0.00 C ATOM 343 OG SER A 101 3.594 6.298 5.015 1.00 0.00 O ATOM 0 H SER A 101 2.244 4.093 4.438 1.00 0.00 H new ATOM 0 HA SER A 101 3.082 5.936 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.793 4.696 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.096 6.173 3.599 1.00 0.00 H new ATOM 0 HG SER A 101 4.212 6.594 5.715 1.00 0.00 H new ATOM 349 N ALA A 102 4.746 4.431 1.064 1.00 0.00 N ATOM 350 CA ALA A 102 5.422 3.466 0.204 1.00 0.00 C ATOM 351 C ALA A 102 6.237 2.491 1.055 1.00 0.00 C ATOM 352 O ALA A 102 6.265 1.293 0.783 1.00 0.00 O ATOM 353 CB ALA A 102 6.338 4.186 -0.785 1.00 0.00 C ATOM 0 H ALA A 102 4.886 5.409 0.809 1.00 0.00 H new ATOM 0 HA ALA A 102 4.671 2.910 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.836 3.453 -1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.746 4.860 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.086 4.759 -0.237 1.00 0.00 H new ATOM 359 N SER A 103 6.892 3.008 2.092 1.00 0.00 N ATOM 360 CA SER A 103 7.688 2.159 2.972 1.00 0.00 C ATOM 361 C SER A 103 6.806 1.102 3.643 1.00 0.00 C ATOM 362 O SER A 103 7.211 -0.053 3.772 1.00 0.00 O ATOM 363 CB SER A 103 8.386 3.007 4.035 1.00 0.00 C ATOM 364 OG SER A 103 9.307 3.887 3.404 1.00 0.00 O ATOM 0 H SER A 103 6.888 3.997 2.341 1.00 0.00 H new ATOM 0 HA SER A 103 8.442 1.652 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.650 3.578 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.907 2.364 4.745 1.00 0.00 H new ATOM 0 HG SER A 103 9.755 4.433 4.083 1.00 0.00 H new ATOM 370 N GLU A 104 5.604 1.492 4.067 1.00 0.00 N ATOM 371 CA GLU A 104 4.710 0.555 4.702 1.00 0.00 C ATOM 372 C GLU A 104 4.293 -0.538 3.712 1.00 0.00 C ATOM 373 O GLU A 104 4.193 -1.713 4.074 1.00 0.00 O ATOM 374 CB GLU A 104 3.482 1.297 5.224 1.00 0.00 C ATOM 375 CG GLU A 104 3.880 2.219 6.376 1.00 0.00 C ATOM 376 CD GLU A 104 2.644 2.945 6.889 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.831 3.328 6.067 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.518 3.106 8.093 1.00 0.00 O ATOM 0 H GLU A 104 5.240 2.441 3.979 1.00 0.00 H new ATOM 0 HA GLU A 104 5.223 0.080 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.030 1.879 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.731 0.583 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.336 1.640 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.626 2.939 6.040 1.00 0.00 H new ATOM 385 N LEU A 105 4.056 -0.152 2.459 1.00 0.00 N ATOM 386 CA LEU A 105 3.657 -1.122 1.443 1.00 0.00 C ATOM 387 C LEU A 105 4.783 -2.137 1.220 1.00 0.00 C ATOM 388 O LEU A 105 4.542 -3.334 1.068 1.00 0.00 O ATOM 389 CB LEU A 105 3.327 -0.393 0.123 1.00 0.00 C ATOM 390 CG LEU A 105 2.280 -1.179 -0.697 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.739 -2.631 -0.895 1.00 0.00 C ATOM 392 CD2 LEU A 105 0.911 -1.160 0.024 1.00 0.00 C ATOM 0 H LEU A 105 4.132 0.810 2.128 1.00 0.00 H new ATOM 0 HA LEU A 105 2.768 -1.653 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.949 0.606 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.236 -0.269 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 105 2.177 -0.702 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.992 -3.173 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.690 -2.643 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.862 -3.109 0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.182 -1.717 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.011 -1.619 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.574 -0.130 0.138 1.00 0.00 H new ATOM 404 N ARG A 106 6.017 -1.650 1.203 1.00 0.00 N ATOM 405 CA ARG A 106 7.153 -2.537 0.997 1.00 0.00 C ATOM 406 C ARG A 106 7.233 -3.562 2.123 1.00 0.00 C ATOM 407 O ARG A 106 7.385 -4.754 1.871 1.00 0.00 O ATOM 408 CB ARG A 106 8.449 -1.728 0.913 1.00 0.00 C ATOM 409 CG ARG A 106 8.470 -0.958 -0.409 1.00 0.00 C ATOM 410 CD ARG A 106 9.835 -0.306 -0.614 1.00 0.00 C ATOM 411 NE ARG A 106 10.011 0.802 0.315 1.00 0.00 N ATOM 412 CZ ARG A 106 9.528 2.007 0.031 1.00 0.00 C ATOM 413 NH1 ARG A 106 8.873 2.191 -1.083 1.00 0.00 N ATOM 414 NH2 ARG A 106 9.704 2.997 0.860 1.00 0.00 N ATOM 0 H ARG A 106 6.254 -0.666 1.327 1.00 0.00 H new ATOM 0 HA ARG A 106 7.017 -3.069 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.516 -1.036 1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.312 -2.391 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.253 -1.634 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.691 -0.196 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.624 -1.043 -0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.924 0.053 -1.639 1.00 0.00 H new ATOM 0 HE ARG A 106 10.510 0.652 1.192 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.735 1.413 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.499 3.113 -1.308 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.214 2.849 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 106 9.332 3.920 0.638 1.00 0.00 H new ATOM 428 N HIS A 107 7.116 -3.099 3.363 1.00 0.00 N ATOM 429 CA HIS A 107 7.178 -4.003 4.500 1.00 0.00 C ATOM 430 C HIS A 107 6.167 -5.127 4.320 1.00 0.00 C ATOM 431 O HIS A 107 6.471 -6.294 4.572 1.00 0.00 O ATOM 432 CB HIS A 107 6.888 -3.241 5.791 1.00 0.00 C ATOM 433 CG HIS A 107 7.835 -2.079 5.912 1.00 0.00 C ATOM 434 ND1 HIS A 107 7.411 -0.828 6.332 1.00 0.00 N ATOM 435 CD2 HIS A 107 9.179 -1.960 5.669 1.00 0.00 C ATOM 436 CE1 HIS A 107 8.487 -0.016 6.329 1.00 0.00 C ATOM 437 NE2 HIS A 107 9.590 -0.657 5.932 1.00 0.00 N ATOM 0 H HIS A 107 6.980 -2.117 3.602 1.00 0.00 H new ATOM 0 HA HIS A 107 8.179 -4.430 4.561 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.858 -2.886 5.792 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.998 -3.904 6.649 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.822 -2.757 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.461 1.026 6.613 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.531 -0.274 5.841 1.00 0.00 H new ATOM 446 N VAL A 108 4.971 -4.775 3.865 1.00 0.00 N ATOM 447 CA VAL A 108 3.937 -5.775 3.642 1.00 0.00 C ATOM 448 C VAL A 108 4.370 -6.737 2.534 1.00 0.00 C ATOM 449 O VAL A 108 4.173 -7.944 2.639 1.00 0.00 O ATOM 450 CB VAL A 108 2.618 -5.102 3.263 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.558 -6.168 2.982 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.153 -4.216 4.421 1.00 0.00 C ATOM 0 H VAL A 108 4.696 -3.818 3.646 1.00 0.00 H new ATOM 0 HA VAL A 108 3.790 -6.337 4.565 1.00 0.00 H new ATOM 0 HB VAL A 108 2.764 -4.494 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.619 -5.685 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.889 -6.803 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.410 -6.777 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.212 -3.734 4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.008 -4.828 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.907 -3.455 4.622 1.00 0.00 H new ATOM 462 N MET A 109 4.956 -6.198 1.469 1.00 0.00 N ATOM 463 CA MET A 109 5.391 -7.036 0.357 1.00 0.00 C ATOM 464 C MET A 109 6.403 -8.071 0.842 1.00 0.00 C ATOM 465 O MET A 109 6.313 -9.247 0.489 1.00 0.00 O ATOM 466 CB MET A 109 6.021 -6.160 -0.734 1.00 0.00 C ATOM 467 CG MET A 109 4.921 -5.448 -1.524 1.00 0.00 C ATOM 468 SD MET A 109 4.016 -6.651 -2.530 1.00 0.00 S ATOM 469 CE MET A 109 2.798 -5.502 -3.209 1.00 0.00 C ATOM 0 H MET A 109 5.138 -5.201 1.353 1.00 0.00 H new ATOM 0 HA MET A 109 4.527 -7.557 -0.054 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.691 -5.427 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.624 -6.774 -1.404 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.238 -4.944 -0.841 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.358 -4.680 -2.163 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.323 -5.950 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.042 -5.286 -2.455 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.294 -4.576 -3.501 1.00 0.00 H new ATOM 479 N ILE A 110 7.345 -7.647 1.670 1.00 0.00 N ATOM 480 CA ILE A 110 8.335 -8.573 2.201 1.00 0.00 C ATOM 481 C ILE A 110 7.659 -9.577 3.128 1.00 0.00 C ATOM 482 O ILE A 110 7.963 -10.767 3.090 1.00 0.00 O ATOM 483 CB ILE A 110 9.438 -7.804 2.951 1.00 0.00 C ATOM 484 CG1 ILE A 110 10.434 -7.201 1.941 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.188 -8.754 3.897 1.00 0.00 C ATOM 486 CD1 ILE A 110 9.849 -5.922 1.348 1.00 0.00 C ATOM 0 H ILE A 110 7.446 -6.682 1.986 1.00 0.00 H new ATOM 0 HA ILE A 110 8.796 -9.113 1.374 1.00 0.00 H new ATOM 0 HB ILE A 110 8.978 -7.004 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 110 11.382 -6.985 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.643 -7.919 1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.967 -8.203 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.489 -9.175 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.641 -9.560 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.554 -5.496 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.912 -6.152 0.840 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.662 -5.203 2.146 1.00 0.00 H new ATOM 498 N ASN A 111 6.755 -9.088 3.964 1.00 0.00 N ATOM 499 CA ASN A 111 6.055 -9.960 4.894 1.00 0.00 C ATOM 500 C ASN A 111 5.311 -11.045 4.128 1.00 0.00 C ATOM 501 O ASN A 111 5.200 -12.180 4.588 1.00 0.00 O ATOM 502 CB ASN A 111 5.071 -9.153 5.744 1.00 0.00 C ATOM 503 CG ASN A 111 4.236 -10.089 6.614 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.327 -10.755 6.116 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.488 -10.180 7.893 1.00 0.00 N ATOM 0 H ASN A 111 6.491 -8.104 4.018 1.00 0.00 H new ATOM 0 HA ASN A 111 6.786 -10.426 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.615 -8.449 6.373 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.418 -8.565 5.098 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.932 -10.803 8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.241 -9.628 8.305 1.00 0.00 H new ATOM 512 N LEU A 112 4.815 -10.695 2.947 1.00 0.00 N ATOM 513 CA LEU A 112 4.096 -11.658 2.119 1.00 0.00 C ATOM 514 C LEU A 112 5.066 -12.547 1.343 1.00 0.00 C ATOM 515 O LEU A 112 4.647 -13.450 0.619 1.00 0.00 O ATOM 516 CB LEU A 112 3.169 -10.924 1.133 1.00 0.00 C ATOM 517 CG LEU A 112 1.759 -10.782 1.721 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.798 -9.896 2.964 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.838 -10.153 0.674 1.00 0.00 C ATOM 0 H LEU A 112 4.896 -9.762 2.544 1.00 0.00 H new ATOM 0 HA LEU A 112 3.499 -12.288 2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.576 -9.938 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.123 -11.472 0.192 1.00 0.00 H new ATOM 0 HG LEU A 112 1.384 -11.767 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.793 -9.801 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.454 -10.345 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.175 -8.909 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.165 -10.050 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.219 -9.170 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.803 -10.790 -0.210 1.00 0.00 H new ATOM 531 N GLY A 113 6.351 -12.291 1.494 1.00 0.00 N ATOM 532 CA GLY A 113 7.358 -13.084 0.796 1.00 0.00 C ATOM 533 C GLY A 113 7.546 -12.590 -0.634 1.00 0.00 C ATOM 534 O GLY A 113 8.075 -13.307 -1.482 1.00 0.00 O ATOM 0 H GLY A 113 6.725 -11.549 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.306 -13.028 1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.059 -14.132 0.786 1.00 0.00 H new ATOM 538 N GLU A 114 7.113 -11.356 -0.897 1.00 0.00 N ATOM 539 CA GLU A 114 7.241 -10.759 -2.232 1.00 0.00 C ATOM 540 C GLU A 114 8.092 -9.494 -2.149 1.00 0.00 C ATOM 541 O GLU A 114 7.914 -8.683 -1.245 1.00 0.00 O ATOM 542 CB GLU A 114 5.856 -10.397 -2.777 1.00 0.00 C ATOM 543 CG GLU A 114 5.019 -11.665 -2.957 1.00 0.00 C ATOM 544 CD GLU A 114 5.634 -12.545 -4.038 1.00 0.00 C ATOM 545 OE1 GLU A 114 6.407 -12.025 -4.827 1.00 0.00 O ATOM 546 OE2 GLU A 114 5.323 -13.724 -4.065 1.00 0.00 O ATOM 0 H GLU A 114 6.671 -10.750 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 114 7.716 -11.480 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.354 -9.713 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.955 -9.878 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.967 -12.213 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.997 -11.401 -3.229 1.00 0.00 H new ATOM 553 N LYS A 115 9.027 -9.334 -3.083 1.00 0.00 N ATOM 554 CA LYS A 115 9.906 -8.158 -3.094 1.00 0.00 C ATOM 555 C LYS A 115 10.075 -7.635 -4.519 1.00 0.00 C ATOM 556 O LYS A 115 10.617 -8.322 -5.380 1.00 0.00 O ATOM 557 CB LYS A 115 11.278 -8.528 -2.516 1.00 0.00 C ATOM 558 CG LYS A 115 11.719 -9.886 -3.071 1.00 0.00 C ATOM 559 CD LYS A 115 13.051 -10.290 -2.447 1.00 0.00 C ATOM 560 CE LYS A 115 13.460 -11.662 -2.982 1.00 0.00 C ATOM 561 NZ LYS A 115 13.672 -11.575 -4.454 1.00 0.00 N ATOM 0 H LYS A 115 9.198 -9.997 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 115 9.453 -7.378 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.011 -7.763 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.227 -8.567 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.962 -10.640 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.816 -9.832 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.816 -9.551 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.963 -10.321 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.373 -11.999 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.687 -12.397 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.273 -12.364 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.754 -11.626 -4.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.137 -10.674 -4.685 1.00 0.00 H new ATOM 575 N LEU A 116 9.610 -6.415 -4.768 1.00 0.00 N ATOM 576 CA LEU A 116 9.718 -5.813 -6.101 1.00 0.00 C ATOM 577 C LEU A 116 10.797 -4.747 -6.092 1.00 0.00 C ATOM 578 O LEU A 116 11.143 -4.224 -5.036 1.00 0.00 O ATOM 579 CB LEU A 116 8.374 -5.190 -6.513 1.00 0.00 C ATOM 580 CG LEU A 116 7.239 -6.215 -6.323 1.00 0.00 C ATOM 581 CD1 LEU A 116 7.616 -7.546 -6.998 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.980 -6.449 -4.816 1.00 0.00 C ATOM 0 H LEU A 116 9.157 -5.823 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 116 9.981 -6.589 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.177 -4.301 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.416 -4.870 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 116 6.331 -5.824 -6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.809 -8.266 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.776 -7.381 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.530 -7.935 -6.550 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.176 -7.175 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.887 -6.829 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.694 -5.508 -4.346 1.00 0.00 H new ATOM 594 N THR A 117 11.340 -4.432 -7.260 1.00 0.00 N ATOM 595 CA THR A 117 12.389 -3.422 -7.332 1.00 0.00 C ATOM 596 C THR A 117 11.815 -2.063 -6.936 1.00 0.00 C ATOM 597 O THR A 117 10.599 -1.884 -6.925 1.00 0.00 O ATOM 598 CB THR A 117 12.960 -3.351 -8.751 1.00 0.00 C ATOM 599 OG1 THR A 117 11.947 -2.914 -9.643 1.00 0.00 O ATOM 600 CG2 THR A 117 13.455 -4.733 -9.178 1.00 0.00 C ATOM 0 H THR A 117 11.080 -4.850 -8.153 1.00 0.00 H new ATOM 0 HA THR A 117 13.191 -3.692 -6.645 1.00 0.00 H new ATOM 0 HB THR A 117 13.794 -2.649 -8.771 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.310 -2.866 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.861 -4.678 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.233 -5.069 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.625 -5.439 -9.158 1.00 0.00 H new ATOM 608 N ASP A 118 12.681 -1.107 -6.610 1.00 0.00 N ATOM 609 CA ASP A 118 12.207 0.216 -6.215 1.00 0.00 C ATOM 610 C ASP A 118 11.429 0.868 -7.353 1.00 0.00 C ATOM 611 O ASP A 118 10.401 1.503 -7.127 1.00 0.00 O ATOM 612 CB ASP A 118 13.387 1.104 -5.813 1.00 0.00 C ATOM 613 CG ASP A 118 13.940 0.653 -4.466 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.325 -0.202 -3.850 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.969 1.173 -4.066 1.00 0.00 O ATOM 0 H ASP A 118 13.695 -1.219 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 118 11.542 0.101 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.167 1.052 -6.572 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.067 2.144 -5.755 1.00 0.00 H new ATOM 620 N GLU A 119 11.920 0.704 -8.576 1.00 0.00 N ATOM 621 CA GLU A 119 11.248 1.286 -9.732 1.00 0.00 C ATOM 622 C GLU A 119 9.824 0.758 -9.849 1.00 0.00 C ATOM 623 O GLU A 119 8.910 1.499 -10.214 1.00 0.00 O ATOM 624 CB GLU A 119 12.022 0.972 -11.007 1.00 0.00 C ATOM 625 CG GLU A 119 13.383 1.686 -10.965 1.00 0.00 C ATOM 626 CD GLU A 119 14.381 0.867 -10.152 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.971 -0.124 -9.567 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.537 1.252 -10.112 1.00 0.00 O ATOM 0 H GLU A 119 12.769 0.181 -8.792 1.00 0.00 H new ATOM 0 HA GLU A 119 11.210 2.367 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.166 -0.104 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.455 1.297 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.758 1.829 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.269 2.676 -10.524 1.00 0.00 H new ATOM 635 N GLU A 120 9.627 -0.514 -9.519 1.00 0.00 N ATOM 636 CA GLU A 120 8.294 -1.095 -9.584 1.00 0.00 C ATOM 637 C GLU A 120 7.416 -0.534 -8.470 1.00 0.00 C ATOM 638 O GLU A 120 6.291 -0.100 -8.714 1.00 0.00 O ATOM 639 CB GLU A 120 8.383 -2.619 -9.463 1.00 0.00 C ATOM 640 CG GLU A 120 9.055 -3.195 -10.711 1.00 0.00 C ATOM 641 CD GLU A 120 8.150 -3.014 -11.922 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.957 -2.853 -11.728 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.662 -3.050 -13.031 1.00 0.00 O ATOM 0 H GLU A 120 10.360 -1.152 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 120 7.846 -0.838 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.951 -2.891 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.386 -3.043 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.009 -2.697 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.270 -4.253 -10.562 1.00 0.00 H new ATOM 650 N VAL A 121 7.941 -0.529 -7.247 1.00 0.00 N ATOM 651 CA VAL A 121 7.186 -0.009 -6.119 1.00 0.00 C ATOM 652 C VAL A 121 6.905 1.480 -6.314 1.00 0.00 C ATOM 653 O VAL A 121 5.773 1.929 -6.158 1.00 0.00 O ATOM 654 CB VAL A 121 7.958 -0.226 -4.814 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.169 0.360 -3.641 1.00 0.00 C ATOM 656 CG2 VAL A 121 8.162 -1.726 -4.588 1.00 0.00 C ATOM 0 H VAL A 121 8.873 -0.875 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 121 6.239 -0.545 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 121 8.926 0.271 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.723 0.203 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.022 1.428 -3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.199 -0.133 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.711 -1.883 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.192 -2.219 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.728 -2.146 -5.420 1.00 0.00 H new ATOM 666 N GLU A 122 7.934 2.240 -6.677 1.00 0.00 N ATOM 667 CA GLU A 122 7.762 3.667 -6.898 1.00 0.00 C ATOM 668 C GLU A 122 6.753 3.910 -8.016 1.00 0.00 C ATOM 669 O GLU A 122 5.911 4.796 -7.917 1.00 0.00 O ATOM 670 CB GLU A 122 9.102 4.310 -7.259 1.00 0.00 C ATOM 671 CG GLU A 122 10.022 4.311 -6.036 1.00 0.00 C ATOM 672 CD GLU A 122 11.403 4.825 -6.428 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.574 5.181 -7.583 1.00 0.00 O ATOM 674 OE2 GLU A 122 12.270 4.854 -5.570 1.00 0.00 O ATOM 0 H GLU A 122 8.883 1.895 -6.822 1.00 0.00 H new ATOM 0 HA GLU A 122 7.388 4.119 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.570 3.763 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.944 5.331 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.599 4.939 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.101 3.303 -5.629 1.00 0.00 H new ATOM 681 N GLN A 123 6.831 3.108 -9.071 1.00 0.00 N ATOM 682 CA GLN A 123 5.905 3.254 -10.184 1.00 0.00 C ATOM 683 C GLN A 123 4.484 2.907 -9.745 1.00 0.00 C ATOM 684 O GLN A 123 3.534 3.604 -10.090 1.00 0.00 O ATOM 685 CB GLN A 123 6.326 2.350 -11.348 1.00 0.00 C ATOM 686 CG GLN A 123 5.402 2.582 -12.551 1.00 0.00 C ATOM 687 CD GLN A 123 5.572 4.005 -13.072 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.601 4.636 -12.833 1.00 0.00 O ATOM 689 NE2 GLN A 123 4.616 4.553 -13.774 1.00 0.00 N ATOM 0 H GLN A 123 7.516 2.360 -9.178 1.00 0.00 H new ATOM 0 HA GLN A 123 5.927 4.292 -10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.359 2.559 -11.626 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.283 1.305 -11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.633 1.867 -13.341 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.365 2.413 -12.261 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.764 4.029 -13.971 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.722 5.505 -14.125 1.00 0.00 H new ATOM 698 N MET A 124 4.335 1.828 -8.986 1.00 0.00 N ATOM 699 CA MET A 124 3.024 1.416 -8.526 1.00 0.00 C ATOM 700 C MET A 124 2.392 2.505 -7.668 1.00 0.00 C ATOM 701 O MET A 124 1.205 2.796 -7.795 1.00 0.00 O ATOM 702 CB MET A 124 3.151 0.116 -7.730 1.00 0.00 C ATOM 703 CG MET A 124 1.768 -0.349 -7.291 1.00 0.00 C ATOM 704 SD MET A 124 1.867 -2.035 -6.631 1.00 0.00 S ATOM 705 CE MET A 124 3.099 -1.712 -5.344 1.00 0.00 C ATOM 0 H MET A 124 5.102 1.230 -8.680 1.00 0.00 H new ATOM 0 HA MET A 124 2.379 1.248 -9.388 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.627 -0.651 -8.340 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.788 0.271 -6.859 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.371 0.326 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.079 -0.319 -8.135 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.032 -2.482 -4.575 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.096 -1.724 -5.784 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.911 -0.736 -4.897 1.00 0.00 H new ATOM 715 N ILE A 125 3.189 3.115 -6.801 1.00 0.00 N ATOM 716 CA ILE A 125 2.680 4.174 -5.938 1.00 0.00 C ATOM 717 C ILE A 125 2.216 5.351 -6.792 1.00 0.00 C ATOM 718 O ILE A 125 1.148 5.915 -6.571 1.00 0.00 O ATOM 719 CB ILE A 125 3.790 4.632 -4.983 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.182 3.468 -4.041 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.297 5.832 -4.157 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.217 3.357 -2.856 1.00 0.00 C ATOM 0 H ILE A 125 4.178 2.899 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 125 1.837 3.798 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 125 4.664 4.931 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.184 2.532 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.196 3.622 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.087 6.156 -3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.034 6.651 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.420 5.540 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.522 2.530 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.235 4.285 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.207 3.177 -3.225 1.00 0.00 H new ATOM 734 N LYS A 126 3.030 5.705 -7.773 1.00 0.00 N ATOM 735 CA LYS A 126 2.700 6.809 -8.667 1.00 0.00 C ATOM 736 C LYS A 126 1.444 6.502 -9.476 1.00 0.00 C ATOM 737 O LYS A 126 0.566 7.352 -9.629 1.00 0.00 O ATOM 738 CB LYS A 126 3.862 7.087 -9.606 1.00 0.00 C ATOM 739 CG LYS A 126 5.012 7.707 -8.817 1.00 0.00 C ATOM 740 CD LYS A 126 6.195 7.961 -9.753 1.00 0.00 C ATOM 741 CE LYS A 126 7.343 8.601 -8.968 1.00 0.00 C ATOM 742 NZ LYS A 126 8.489 8.858 -9.886 1.00 0.00 N ATOM 0 H LYS A 126 3.920 5.248 -7.972 1.00 0.00 H new ATOM 0 HA LYS A 126 2.509 7.692 -8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.189 6.162 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.547 7.761 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.690 8.642 -8.359 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.312 7.042 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.525 7.024 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.891 8.615 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.011 9.534 -8.513 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.654 7.943 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.269 9.293 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.810 7.960 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.188 9.501 -10.646 1.00 0.00 H new ATOM 756 N GLU A 127 1.357 5.280 -9.981 1.00 0.00 N ATOM 757 CA GLU A 127 0.204 4.869 -10.764 1.00 0.00 C ATOM 758 C GLU A 127 -1.043 4.776 -9.896 1.00 0.00 C ATOM 759 O GLU A 127 -2.144 5.106 -10.334 1.00 0.00 O ATOM 760 CB GLU A 127 0.470 3.508 -11.398 1.00 0.00 C ATOM 761 CG GLU A 127 1.538 3.650 -12.475 1.00 0.00 C ATOM 762 CD GLU A 127 1.882 2.280 -13.057 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.289 1.308 -12.617 1.00 0.00 O ATOM 764 OE2 GLU A 127 2.729 2.222 -13.934 1.00 0.00 O ATOM 0 H GLU A 127 2.069 4.559 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 127 0.038 5.618 -11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.797 2.798 -10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.448 3.111 -11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.183 4.311 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.432 4.110 -12.053 1.00 0.00 H new ATOM 771 N ALA A 128 -0.864 4.311 -8.667 1.00 0.00 N ATOM 772 CA ALA A 128 -1.993 4.166 -7.756 1.00 0.00 C ATOM 773 C ALA A 128 -2.427 5.513 -7.194 1.00 0.00 C ATOM 774 O ALA A 128 -3.593 5.709 -6.869 1.00 0.00 O ATOM 775 CB ALA A 128 -1.627 3.231 -6.607 1.00 0.00 C ATOM 0 H ALA A 128 0.038 4.031 -8.281 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.823 3.743 -8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.478 3.131 -5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.362 2.251 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.778 3.642 -6.060 1.00 0.00 H new ATOM 781 N ASP A 129 -1.485 6.433 -7.069 1.00 0.00 N ATOM 782 CA ASP A 129 -1.793 7.744 -6.524 1.00 0.00 C ATOM 783 C ASP A 129 -2.554 8.594 -7.526 1.00 0.00 C ATOM 784 O ASP A 129 -2.023 8.983 -8.562 1.00 0.00 O ATOM 785 CB ASP A 129 -0.504 8.464 -6.151 1.00 0.00 C ATOM 786 CG ASP A 129 0.086 7.872 -4.879 1.00 0.00 C ATOM 787 OD1 ASP A 129 -0.030 6.672 -4.695 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.632 8.632 -4.098 1.00 0.00 O ATOM 0 H ASP A 129 -0.509 6.298 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.416 7.599 -5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.215 8.381 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.702 9.526 -6.007 1.00 0.00 H new ATOM 793 N LEU A 130 -3.800 8.884 -7.203 1.00 0.00 N ATOM 794 CA LEU A 130 -4.635 9.697 -8.080 1.00 0.00 C ATOM 795 C LEU A 130 -4.332 11.179 -7.918 1.00 0.00 C ATOM 796 O LEU A 130 -4.524 11.959 -8.849 1.00 0.00 O ATOM 797 CB LEU A 130 -6.119 9.449 -7.790 1.00 0.00 C ATOM 798 CG LEU A 130 -6.982 9.969 -8.960 1.00 0.00 C ATOM 799 CD1 LEU A 130 -7.008 8.940 -10.099 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.415 10.210 -8.469 1.00 0.00 C ATOM 0 H LEU A 130 -4.258 8.573 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.410 9.405 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.296 8.384 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.406 9.950 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.552 10.901 -9.328 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.620 9.319 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.993 8.766 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -7.430 8.004 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -9.025 10.577 -9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.834 9.275 -8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.406 10.949 -7.668 1.00 0.00 H new ATOM 812 N ASP A 131 -3.877 11.576 -6.729 1.00 0.00 N ATOM 813 CA ASP A 131 -3.572 12.985 -6.461 1.00 0.00 C ATOM 814 C ASP A 131 -2.084 13.207 -6.242 1.00 0.00 C ATOM 815 O ASP A 131 -1.680 14.278 -5.795 1.00 0.00 O ATOM 816 CB ASP A 131 -4.333 13.449 -5.222 1.00 0.00 C ATOM 817 CG ASP A 131 -4.002 12.551 -4.038 1.00 0.00 C ATOM 818 OD1 ASP A 131 -3.356 11.541 -4.255 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.400 12.882 -2.935 1.00 0.00 O ATOM 0 H ASP A 131 -3.712 10.949 -5.941 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.879 13.562 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.071 14.481 -4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.405 13.428 -5.415 1.00 0.00 H new ATOM 824 N GLY A 132 -1.264 12.209 -6.560 1.00 0.00 N ATOM 825 CA GLY A 132 0.177 12.351 -6.385 1.00 0.00 C ATOM 826 C GLY A 132 0.512 13.066 -5.074 1.00 0.00 C ATOM 827 O GLY A 132 1.422 13.893 -5.027 1.00 0.00 O ATOM 0 H GLY A 132 -1.566 11.309 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.645 11.367 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.594 12.910 -7.223 1.00 0.00 H new ATOM 831 N ASP A 133 -0.227 12.752 -4.007 1.00 0.00 N ATOM 832 CA ASP A 133 0.020 13.385 -2.715 1.00 0.00 C ATOM 833 C ASP A 133 1.327 12.876 -2.119 1.00 0.00 C ATOM 834 O ASP A 133 1.878 13.476 -1.200 1.00 0.00 O ATOM 835 CB ASP A 133 -1.129 13.087 -1.751 1.00 0.00 C ATOM 836 CG ASP A 133 -1.248 11.587 -1.540 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.330 10.888 -1.920 1.00 0.00 O ATOM 838 OD2 ASP A 133 -2.251 11.157 -0.995 1.00 0.00 O ATOM 0 H ASP A 133 -0.989 12.074 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 133 0.090 14.462 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.954 13.585 -0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -2.063 13.483 -2.150 1.00 0.00 H new ATOM 843 N GLY A 134 1.824 11.761 -2.653 1.00 0.00 N ATOM 844 CA GLY A 134 3.070 11.175 -2.181 1.00 0.00 C ATOM 845 C GLY A 134 2.789 9.938 -1.354 1.00 0.00 C ATOM 846 O GLY A 134 3.690 9.160 -1.051 1.00 0.00 O ATOM 0 H GLY A 134 1.379 11.247 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.703 10.917 -3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.619 11.903 -1.584 1.00 0.00 H new ATOM 850 N GLN A 135 1.529 9.777 -0.967 1.00 0.00 N ATOM 851 CA GLN A 135 1.123 8.653 -0.149 1.00 0.00 C ATOM 852 C GLN A 135 -0.125 7.994 -0.721 1.00 0.00 C ATOM 853 O GLN A 135 -0.980 8.663 -1.302 1.00 0.00 O ATOM 854 CB GLN A 135 0.816 9.171 1.250 1.00 0.00 C ATOM 855 CG GLN A 135 2.107 9.582 1.957 1.00 0.00 C ATOM 856 CD GLN A 135 2.642 10.880 1.359 1.00 0.00 C ATOM 857 OE1 GLN A 135 1.864 11.750 0.970 1.00 0.00 O ATOM 858 NE2 GLN A 135 3.931 11.064 1.263 1.00 0.00 N ATOM 0 H GLN A 135 0.772 10.416 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 135 1.924 7.914 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.139 10.023 1.189 1.00 0.00 H new ATOM 0 HB3 GLN A 135 0.307 8.400 1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.921 9.713 3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.852 8.793 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.575 10.342 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 135 4.294 11.930 0.865 1.00 0.00 H new ATOM 867 N VAL A 136 -0.240 6.684 -0.541 1.00 0.00 N ATOM 868 CA VAL A 136 -1.414 5.974 -1.029 1.00 0.00 C ATOM 869 C VAL A 136 -2.536 6.154 -0.013 1.00 0.00 C ATOM 870 O VAL A 136 -2.397 5.757 1.145 1.00 0.00 O ATOM 871 CB VAL A 136 -1.094 4.480 -1.203 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.386 3.686 -1.415 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.194 4.299 -2.419 1.00 0.00 C ATOM 0 H VAL A 136 0.452 6.101 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.717 6.373 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.592 4.116 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.148 2.629 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.037 3.814 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.894 4.049 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.036 3.241 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.705 4.670 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.731 4.857 -2.273 1.00 0.00 H new ATOM 883 N ASN A 137 -3.654 6.748 -0.437 1.00 0.00 N ATOM 884 CA ASN A 137 -4.788 6.959 0.470 1.00 0.00 C ATOM 885 C ASN A 137 -5.804 5.828 0.313 1.00 0.00 C ATOM 886 O ASN A 137 -5.652 4.966 -0.551 1.00 0.00 O ATOM 887 CB ASN A 137 -5.458 8.306 0.175 1.00 0.00 C ATOM 888 CG ASN A 137 -6.027 8.321 -1.241 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.433 7.281 -1.762 1.00 0.00 O ATOM 890 ND2 ASN A 137 -6.079 9.445 -1.900 1.00 0.00 N ATOM 0 H ASN A 137 -3.799 7.087 -1.388 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.419 6.965 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.255 8.488 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -4.734 9.112 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.456 9.464 -2.848 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.743 10.306 -1.468 1.00 0.00 H new ATOM 897 N TYR A 138 -6.824 5.819 1.163 1.00 0.00 N ATOM 898 CA TYR A 138 -7.828 4.761 1.103 1.00 0.00 C ATOM 899 C TYR A 138 -8.408 4.630 -0.306 1.00 0.00 C ATOM 900 O TYR A 138 -8.497 3.527 -0.839 1.00 0.00 O ATOM 901 CB TYR A 138 -8.960 5.064 2.085 1.00 0.00 C ATOM 902 CG TYR A 138 -9.953 3.926 2.071 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.655 2.728 2.732 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.172 4.070 1.401 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.577 1.675 2.723 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.094 3.017 1.390 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.798 1.820 2.051 1.00 0.00 C ATOM 908 OH TYR A 138 -12.708 0.783 2.043 1.00 0.00 O ATOM 0 H TYR A 138 -6.978 6.518 1.890 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.344 3.822 1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.559 5.199 3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.454 5.996 1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.713 2.617 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.402 4.994 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.348 0.751 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.034 3.129 0.871 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.372 0.925 2.749 1.00 0.00 H new ATOM 918 N GLU A 139 -8.801 5.752 -0.910 1.00 0.00 N ATOM 919 CA GLU A 139 -9.375 5.716 -2.251 1.00 0.00 C ATOM 920 C GLU A 139 -8.410 5.064 -3.238 1.00 0.00 C ATOM 921 O GLU A 139 -8.802 4.229 -4.047 1.00 0.00 O ATOM 922 CB GLU A 139 -9.709 7.138 -2.711 1.00 0.00 C ATOM 923 CG GLU A 139 -10.427 7.096 -4.060 1.00 0.00 C ATOM 924 CD GLU A 139 -10.817 8.508 -4.478 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.784 9.387 -3.632 1.00 0.00 O ATOM 926 OE2 GLU A 139 -11.145 8.692 -5.638 1.00 0.00 O ATOM 0 H GLU A 139 -8.733 6.683 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.288 5.121 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.339 7.630 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.795 7.726 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.779 6.649 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.315 6.468 -3.991 1.00 0.00 H new ATOM 933 N GLU A 140 -7.147 5.441 -3.180 1.00 0.00 N ATOM 934 CA GLU A 140 -6.171 4.850 -4.074 1.00 0.00 C ATOM 935 C GLU A 140 -5.921 3.402 -3.675 1.00 0.00 C ATOM 936 O GLU A 140 -5.735 2.538 -4.531 1.00 0.00 O ATOM 937 CB GLU A 140 -4.875 5.646 -4.037 1.00 0.00 C ATOM 938 CG GLU A 140 -5.143 7.083 -4.526 1.00 0.00 C ATOM 939 CD GLU A 140 -4.131 8.053 -3.930 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.264 7.605 -3.199 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.244 9.234 -4.216 1.00 0.00 O ATOM 0 H GLU A 140 -6.778 6.141 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.558 4.873 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.475 5.664 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.124 5.169 -4.668 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.090 7.118 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.152 7.385 -4.246 1.00 0.00 H new ATOM 948 N PHE A 141 -5.912 3.130 -2.369 1.00 0.00 N ATOM 949 CA PHE A 141 -5.674 1.772 -1.907 1.00 0.00 C ATOM 950 C PHE A 141 -6.780 0.853 -2.406 1.00 0.00 C ATOM 951 O PHE A 141 -6.514 -0.142 -3.082 1.00 0.00 O ATOM 952 CB PHE A 141 -5.632 1.743 -0.376 1.00 0.00 C ATOM 953 CG PHE A 141 -5.298 0.348 0.104 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.997 -0.151 -0.045 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.287 -0.446 0.703 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.686 -1.442 0.403 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.975 -1.735 1.149 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.675 -2.232 0.999 1.00 0.00 C ATOM 0 H PHE A 141 -6.064 3.818 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.717 1.427 -2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.888 2.451 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.595 2.055 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.234 0.459 -0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.290 -0.062 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.683 -1.827 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.737 -2.346 1.609 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.435 -3.227 1.344 1.00 0.00 H new ATOM 968 N VAL A 142 -8.020 1.192 -2.070 1.00 0.00 N ATOM 969 CA VAL A 142 -9.148 0.376 -2.489 1.00 0.00 C ATOM 970 C VAL A 142 -9.153 0.258 -4.007 1.00 0.00 C ATOM 971 O VAL A 142 -9.333 -0.828 -4.555 1.00 0.00 O ATOM 972 CB VAL A 142 -10.459 1.003 -2.000 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.690 2.333 -2.705 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.626 0.060 -2.293 1.00 0.00 C ATOM 0 H VAL A 142 -8.265 2.013 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.056 -0.619 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.393 1.171 -0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.623 2.774 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.864 3.009 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.749 2.169 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.555 0.511 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.690 -0.117 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.466 -0.887 -1.778 1.00 0.00 H new ATOM 984 N LYS A 143 -8.937 1.380 -4.672 1.00 0.00 N ATOM 985 CA LYS A 143 -8.900 1.397 -6.124 1.00 0.00 C ATOM 986 C LYS A 143 -7.758 0.515 -6.618 1.00 0.00 C ATOM 987 O LYS A 143 -7.948 -0.341 -7.479 1.00 0.00 O ATOM 988 CB LYS A 143 -8.702 2.834 -6.592 1.00 0.00 C ATOM 989 CG LYS A 143 -8.815 2.908 -8.113 1.00 0.00 C ATOM 990 CD LYS A 143 -8.755 4.372 -8.555 1.00 0.00 C ATOM 991 CE LYS A 143 -8.902 4.453 -10.077 1.00 0.00 C ATOM 992 NZ LYS A 143 -7.716 3.821 -10.724 1.00 0.00 N ATOM 0 H LYS A 143 -8.785 2.288 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.835 1.010 -6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.449 3.481 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.725 3.198 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.007 2.343 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.750 2.455 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.549 4.942 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.809 4.818 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.815 3.947 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -8.989 5.493 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -7.653 4.133 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.853 4.103 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.814 2.786 -10.692 1.00 0.00 H new ATOM 1006 N MET A 144 -6.575 0.717 -6.045 1.00 0.00 N ATOM 1007 CA MET A 144 -5.408 -0.084 -6.417 1.00 0.00 C ATOM 1008 C MET A 144 -5.665 -1.535 -6.072 1.00 0.00 C ATOM 1009 O MET A 144 -5.315 -2.447 -6.817 1.00 0.00 O ATOM 1010 CB MET A 144 -4.177 0.377 -5.643 1.00 0.00 C ATOM 1011 CG MET A 144 -2.911 -0.339 -6.144 1.00 0.00 C ATOM 1012 SD MET A 144 -1.481 0.227 -5.184 1.00 0.00 S ATOM 1013 CE MET A 144 -1.982 -0.445 -3.577 1.00 0.00 C ATOM 0 H MET A 144 -6.397 1.421 -5.328 1.00 0.00 H new ATOM 0 HA MET A 144 -5.235 0.034 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.057 1.455 -5.752 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.315 0.178 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.026 -1.418 -6.044 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.757 -0.132 -7.203 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.114 -0.872 -3.074 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.401 0.353 -2.964 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.733 -1.221 -3.725 1.00 0.00 H new ATOM 1023 N MET A 145 -6.296 -1.736 -4.929 1.00 0.00 N ATOM 1024 CA MET A 145 -6.607 -3.085 -4.487 1.00 0.00 C ATOM 1025 C MET A 145 -7.545 -3.756 -5.479 1.00 0.00 C ATOM 1026 O MET A 145 -7.389 -4.931 -5.789 1.00 0.00 O ATOM 1027 CB MET A 145 -7.239 -3.070 -3.090 1.00 0.00 C ATOM 1028 CG MET A 145 -7.516 -4.509 -2.631 1.00 0.00 C ATOM 1029 SD MET A 145 -8.148 -4.492 -0.932 1.00 0.00 S ATOM 1030 CE MET A 145 -6.571 -4.768 -0.087 1.00 0.00 C ATOM 0 H MET A 145 -6.600 -0.995 -4.297 1.00 0.00 H new ATOM 0 HA MET A 145 -5.677 -3.652 -4.435 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.572 -2.575 -2.384 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.167 -2.498 -3.106 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.241 -4.980 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.602 -5.101 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.643 -4.415 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.338 -5.833 -0.090 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.781 -4.223 -0.604 1.00 0.00 H new ATOM 1040 N MET A 146 -8.512 -2.999 -5.984 1.00 0.00 N ATOM 1041 CA MET A 146 -9.454 -3.540 -6.952 1.00 0.00 C ATOM 1042 C MET A 146 -8.734 -3.887 -8.250 1.00 0.00 C ATOM 1043 O MET A 146 -9.004 -4.919 -8.863 1.00 0.00 O ATOM 1044 CB MET A 146 -10.566 -2.523 -7.227 1.00 0.00 C ATOM 1045 CG MET A 146 -11.546 -2.499 -6.049 1.00 0.00 C ATOM 1046 SD MET A 146 -12.724 -1.144 -6.267 1.00 0.00 S ATOM 1047 CE MET A 146 -13.916 -2.040 -7.291 1.00 0.00 C ATOM 0 H MET A 146 -8.663 -2.020 -5.742 1.00 0.00 H new ATOM 0 HA MET A 146 -9.896 -4.448 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.137 -1.532 -7.376 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.092 -2.784 -8.145 1.00 0.00 H new ATOM 0 HG2 MET A 146 -12.077 -3.449 -5.985 1.00 0.00 H new ATOM 0 HG3 MET A 146 -11.002 -2.374 -5.113 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.744 -1.379 -7.548 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.428 -2.381 -8.204 1.00 0.00 H new ATOM 0 HE3 MET A 146 -14.296 -2.900 -6.739 1.00 0.00 H new ATOM 1057 N THR A 147 -7.823 -3.011 -8.668 1.00 0.00 N ATOM 1058 CA THR A 147 -7.078 -3.231 -9.899 1.00 0.00 C ATOM 1059 C THR A 147 -6.394 -4.592 -9.875 1.00 0.00 C ATOM 1060 O THR A 147 -5.991 -5.112 -10.916 1.00 0.00 O ATOM 1061 CB THR A 147 -6.029 -2.126 -10.080 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.650 -0.857 -9.940 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.396 -2.229 -11.471 1.00 0.00 C ATOM 0 H THR A 147 -7.586 -2.150 -8.175 1.00 0.00 H new ATOM 0 HA THR A 147 -7.776 -3.206 -10.735 1.00 0.00 H new ATOM 0 HB THR A 147 -5.254 -2.243 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.925 -0.728 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.652 -1.441 -11.592 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.916 -3.201 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.169 -2.118 -12.232 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.263 -5.162 -8.682 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.611 -6.458 -8.538 1.00 0.00 C ATOM 1073 C VAL A 148 -6.290 -7.494 -9.427 1.00 0.00 C ATOM 1074 O VAL A 148 -5.623 -8.223 -10.161 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.667 -6.901 -7.070 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -5.067 -8.301 -6.920 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -4.871 -5.911 -6.212 1.00 0.00 C ATOM 0 H VAL A 148 -6.596 -4.752 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.569 -6.369 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.706 -6.923 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -5.112 -8.606 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -5.633 -9.007 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.028 -8.289 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.908 -6.222 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.834 -5.890 -6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.304 -4.915 -6.309 1.00 0.00 H new ATOM 1087 N ARG A 149 -7.613 -7.543 -9.388 1.00 0.00 N ATOM 1088 CA ARG A 149 -8.350 -8.490 -10.222 1.00 0.00 C ATOM 1089 C ARG A 149 -9.844 -8.186 -10.182 1.00 0.00 C ATOM 1090 O ARG A 149 -10.470 -8.515 -9.190 1.00 0.00 O ATOM 1091 CB ARG A 149 -8.101 -9.920 -9.735 1.00 0.00 C ATOM 1092 CG ARG A 149 -8.791 -10.914 -10.675 1.00 0.00 C ATOM 1093 CD ARG A 149 -8.512 -12.343 -10.203 1.00 0.00 C ATOM 1094 NE ARG A 149 -9.112 -12.569 -8.896 1.00 0.00 N ATOM 1095 CZ ARG A 149 -8.924 -13.713 -8.249 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -8.197 -14.648 -8.792 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -9.465 -13.901 -7.076 1.00 0.00 N ATOM 1098 OXT ARG A 149 -10.340 -7.628 -11.149 1.00 0.00 O ATOM 0 H ARG A 149 -8.195 -6.949 -8.798 1.00 0.00 H new ATOM 0 HA ARG A 149 -7.999 -8.393 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -7.030 -10.121 -9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -8.481 -10.040 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -9.865 -10.729 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -8.428 -10.779 -11.694 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -8.913 -13.056 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -7.437 -12.513 -10.151 1.00 0.00 H new ATOM 0 HE ARG A 149 -9.684 -11.839 -8.472 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -7.776 -14.499 -9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -8.049 -15.529 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -10.034 -13.168 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -9.318 -14.781 -6.582 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.488 5.487 7.578 1.00 0.00 CA HETATM 1114 CA CA A 234 -1.762 9.658 -3.561 1.00 0.00 CA