USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=13 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 Set 1.1: A 101 SER OG : rot 103:sc= 1 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 1.03 USER MOD Set 2.1: A 90 LYS NZ :NH3+ 160:sc= -0.0628 (180deg=-0.513) USER MOD Set 2.2: A 96 GLN : amide:sc= 0 X(o=-0.063,f=-0.063) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.077 (180deg=-0.479) USER MOD Single : A 97 ASN : amide:sc= -6.9! C(o=-6.9!,f=-18!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 109 MET CE :methyl 179:sc= 0 (180deg=-0.000824) USER MOD Single : A 111 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -100:sc= -0.508 USER MOD Single : A 123 GLN : amide:sc=-0.00229 K(o=-0.0023,f=-1.5!) USER MOD Single : A 124 MET CE :methyl 155:sc= -1.05 (180deg=-3.61!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 137 ASN : amide:sc= -0.69 K(o=-0.69,f=-3.3!) USER MOD Single : A 138 TYR OH : rot 129:sc= 0.125 USER MOD Single : A 143 LYS NZ :NH3+ -164:sc= -0.0108 (180deg=-0.25) USER MOD Single : A 144 MET CE :methyl 175:sc= 0 (180deg=-0.00837) USER MOD Single : A 145 MET CE :methyl -110:sc= -0.208 (180deg=-0.276) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 69:sc= 0.687 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.885 -7.222 5.160 1.00 0.00 N ATOM 2 CA ASP A 80 -17.651 -7.955 5.564 1.00 0.00 C ATOM 3 C ASP A 80 -16.446 -7.407 4.805 1.00 0.00 C ATOM 4 O ASP A 80 -15.427 -7.071 5.406 1.00 0.00 O ATOM 5 CB ASP A 80 -17.825 -9.443 5.265 1.00 0.00 C ATOM 6 CG ASP A 80 -18.838 -10.055 6.229 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.231 -9.370 7.158 1.00 0.00 O ATOM 8 OD2 ASP A 80 -19.204 -11.201 6.024 1.00 0.00 O ATOM 0 HA ASP A 80 -17.483 -7.818 6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.161 -9.579 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.867 -9.955 5.358 1.00 0.00 H new ATOM 15 N ALA A 81 -16.558 -7.320 3.485 1.00 0.00 N ATOM 16 CA ALA A 81 -15.448 -6.808 2.686 1.00 0.00 C ATOM 17 C ALA A 81 -15.002 -5.454 3.228 1.00 0.00 C ATOM 18 O ALA A 81 -13.811 -5.224 3.439 1.00 0.00 O ATOM 19 CB ALA A 81 -15.873 -6.670 1.222 1.00 0.00 C ATOM 0 H ALA A 81 -17.386 -7.590 2.953 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.615 -7.509 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.038 -6.287 0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.171 -7.645 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.713 -5.979 1.151 1.00 0.00 H new ATOM 25 N GLU A 82 -15.959 -4.560 3.459 1.00 0.00 N ATOM 26 CA GLU A 82 -15.635 -3.243 3.976 1.00 0.00 C ATOM 27 C GLU A 82 -14.960 -3.359 5.340 1.00 0.00 C ATOM 28 O GLU A 82 -14.120 -2.535 5.698 1.00 0.00 O ATOM 29 CB GLU A 82 -16.903 -2.399 4.091 1.00 0.00 C ATOM 30 CG GLU A 82 -16.512 -0.954 4.365 1.00 0.00 C ATOM 31 CD GLU A 82 -15.884 -0.335 3.120 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.941 -0.964 2.076 1.00 0.00 O ATOM 33 OE2 GLU A 82 -15.355 0.760 3.227 1.00 0.00 O ATOM 0 H GLU A 82 -16.953 -4.724 3.297 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.946 -2.757 3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.484 -2.464 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.535 -2.777 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.391 -0.381 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.808 -0.911 5.196 1.00 0.00 H new ATOM 40 N GLU A 83 -15.302 -4.401 6.084 1.00 0.00 N ATOM 41 CA GLU A 83 -14.678 -4.612 7.388 1.00 0.00 C ATOM 42 C GLU A 83 -13.259 -5.125 7.170 1.00 0.00 C ATOM 43 O GLU A 83 -12.285 -4.460 7.526 1.00 0.00 O ATOM 44 CB GLU A 83 -15.486 -5.609 8.216 1.00 0.00 C ATOM 45 CG GLU A 83 -14.894 -5.698 9.623 1.00 0.00 C ATOM 46 CD GLU A 83 -15.726 -6.653 10.470 1.00 0.00 C ATOM 47 OE1 GLU A 83 -16.813 -6.999 10.039 1.00 0.00 O ATOM 48 OE2 GLU A 83 -15.267 -7.018 11.539 1.00 0.00 O ATOM 0 H GLU A 83 -15.993 -5.102 5.817 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.650 -3.671 7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.529 -5.295 8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.471 -6.590 7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.862 -6.046 9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.875 -4.710 10.083 1.00 0.00 H new ATOM 55 N GLU A 84 -13.140 -6.313 6.586 1.00 0.00 N ATOM 56 CA GLU A 84 -11.827 -6.888 6.328 1.00 0.00 C ATOM 57 C GLU A 84 -10.903 -5.837 5.712 1.00 0.00 C ATOM 58 O GLU A 84 -9.753 -5.697 6.125 1.00 0.00 O ATOM 59 CB GLU A 84 -11.952 -8.086 5.381 1.00 0.00 C ATOM 60 CG GLU A 84 -10.578 -8.722 5.171 1.00 0.00 C ATOM 61 CD GLU A 84 -10.699 -9.957 4.288 1.00 0.00 C ATOM 62 OE1 GLU A 84 -11.356 -9.866 3.263 1.00 0.00 O ATOM 63 OE2 GLU A 84 -10.131 -10.976 4.645 1.00 0.00 O ATOM 0 H GLU A 84 -13.926 -6.889 6.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.402 -7.225 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.643 -8.819 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.365 -7.764 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.902 -8.001 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.145 -8.995 6.133 1.00 0.00 H new ATOM 70 N LEU A 85 -11.402 -5.099 4.725 1.00 0.00 N ATOM 71 CA LEU A 85 -10.577 -4.081 4.083 1.00 0.00 C ATOM 72 C LEU A 85 -10.133 -3.034 5.104 1.00 0.00 C ATOM 73 O LEU A 85 -8.961 -2.667 5.156 1.00 0.00 O ATOM 74 CB LEU A 85 -11.365 -3.403 2.953 1.00 0.00 C ATOM 75 CG LEU A 85 -10.395 -2.774 1.940 1.00 0.00 C ATOM 76 CD1 LEU A 85 -11.181 -2.296 0.719 1.00 0.00 C ATOM 77 CD2 LEU A 85 -9.645 -1.583 2.577 1.00 0.00 C ATOM 0 H LEU A 85 -12.350 -5.182 4.359 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.693 -4.562 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.002 -4.133 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.021 -2.636 3.365 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.663 -3.523 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.497 -1.849 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.690 -3.143 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.918 -1.554 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.963 -1.150 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.364 -0.828 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.078 -1.930 3.441 1.00 0.00 H new ATOM 89 N LYS A 86 -11.063 -2.567 5.928 1.00 0.00 N ATOM 90 CA LYS A 86 -10.721 -1.575 6.937 1.00 0.00 C ATOM 91 C LYS A 86 -9.655 -2.124 7.881 1.00 0.00 C ATOM 92 O LYS A 86 -8.745 -1.399 8.284 1.00 0.00 O ATOM 93 CB LYS A 86 -11.968 -1.171 7.726 1.00 0.00 C ATOM 94 CG LYS A 86 -12.788 -0.159 6.919 1.00 0.00 C ATOM 95 CD LYS A 86 -14.130 0.082 7.616 1.00 0.00 C ATOM 96 CE LYS A 86 -13.915 0.946 8.861 1.00 0.00 C ATOM 97 NZ LYS A 86 -15.228 1.454 9.343 1.00 0.00 N ATOM 0 H LYS A 86 -12.042 -2.853 5.919 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.322 -0.693 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.573 -2.051 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.679 -0.738 8.684 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.240 0.779 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.953 -0.532 5.908 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.822 0.576 6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.582 -0.870 7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.429 0.362 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.253 1.780 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.084 2.041 10.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.674 2.025 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.845 0.651 9.580 1.00 0.00 H new ATOM 111 N GLU A 87 -9.765 -3.402 8.229 1.00 0.00 N ATOM 112 CA GLU A 87 -8.788 -4.012 9.115 1.00 0.00 C ATOM 113 C GLU A 87 -7.439 -4.122 8.412 1.00 0.00 C ATOM 114 O GLU A 87 -6.413 -3.713 8.951 1.00 0.00 O ATOM 115 CB GLU A 87 -9.269 -5.399 9.539 1.00 0.00 C ATOM 116 CG GLU A 87 -8.278 -5.993 10.539 1.00 0.00 C ATOM 117 CD GLU A 87 -8.784 -7.340 11.043 1.00 0.00 C ATOM 118 OE1 GLU A 87 -9.953 -7.626 10.842 1.00 0.00 O ATOM 119 OE2 GLU A 87 -7.996 -8.065 11.626 1.00 0.00 O ATOM 0 H GLU A 87 -10.510 -4.025 7.915 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.673 -3.387 10.000 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.260 -5.331 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.357 -6.048 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.303 -6.116 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.143 -5.310 11.378 1.00 0.00 H new ATOM 126 N ALA A 88 -7.444 -4.675 7.203 1.00 0.00 N ATOM 127 CA ALA A 88 -6.205 -4.823 6.454 1.00 0.00 C ATOM 128 C ALA A 88 -5.515 -3.466 6.319 1.00 0.00 C ATOM 129 O ALA A 88 -4.329 -3.328 6.622 1.00 0.00 O ATOM 130 CB ALA A 88 -6.495 -5.404 5.068 1.00 0.00 C ATOM 0 H ALA A 88 -8.278 -5.022 6.729 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.546 -5.506 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.561 -5.511 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.967 -6.381 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.163 -4.735 4.526 1.00 0.00 H new ATOM 136 N PHE A 89 -6.267 -2.463 5.886 1.00 0.00 N ATOM 137 CA PHE A 89 -5.715 -1.125 5.736 1.00 0.00 C ATOM 138 C PHE A 89 -5.119 -0.657 7.062 1.00 0.00 C ATOM 139 O PHE A 89 -4.023 -0.099 7.096 1.00 0.00 O ATOM 140 CB PHE A 89 -6.803 -0.151 5.283 1.00 0.00 C ATOM 141 CG PHE A 89 -6.214 1.234 5.132 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.059 2.057 6.255 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.814 1.693 3.872 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.505 3.334 6.116 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.264 2.969 3.734 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.109 3.789 4.856 1.00 0.00 C ATOM 0 H PHE A 89 -7.252 -2.549 5.635 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.930 -1.152 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.229 -0.481 4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.616 -0.134 6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.367 1.705 7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.931 1.059 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.384 3.968 6.982 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.958 3.323 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.683 4.775 4.748 1.00 0.00 H new ATOM 156 N LYS A 90 -5.841 -0.891 8.149 1.00 0.00 N ATOM 157 CA LYS A 90 -5.363 -0.488 9.465 1.00 0.00 C ATOM 158 C LYS A 90 -4.031 -1.167 9.787 1.00 0.00 C ATOM 159 O LYS A 90 -3.178 -0.587 10.459 1.00 0.00 O ATOM 160 CB LYS A 90 -6.400 -0.849 10.534 1.00 0.00 C ATOM 161 CG LYS A 90 -5.955 -0.307 11.895 1.00 0.00 C ATOM 162 CD LYS A 90 -7.007 -0.658 12.950 1.00 0.00 C ATOM 163 CE LYS A 90 -6.565 -0.119 14.312 1.00 0.00 C ATOM 164 NZ LYS A 90 -6.504 1.370 14.261 1.00 0.00 N ATOM 0 H LYS A 90 -6.750 -1.353 8.147 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.212 0.591 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.371 -0.432 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.521 -1.931 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.991 -0.733 12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.823 0.774 11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.971 -0.231 12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.140 -1.739 13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.263 -0.439 15.086 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.589 -0.525 14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.541 1.752 15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.617 1.666 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.311 1.732 13.714 1.00 0.00 H new ATOM 178 N VAL A 91 -3.848 -2.391 9.302 1.00 0.00 N ATOM 179 CA VAL A 91 -2.604 -3.111 9.552 1.00 0.00 C ATOM 180 C VAL A 91 -1.441 -2.470 8.790 1.00 0.00 C ATOM 181 O VAL A 91 -0.356 -2.286 9.342 1.00 0.00 O ATOM 182 CB VAL A 91 -2.752 -4.580 9.152 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.401 -5.290 9.284 1.00 0.00 C ATOM 184 CG2 VAL A 91 -3.772 -5.253 10.076 1.00 0.00 C ATOM 0 H VAL A 91 -4.533 -2.899 8.742 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.386 -3.056 10.619 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.092 -4.643 8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.510 -6.336 8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.672 -4.810 8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.058 -5.230 10.317 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.882 -6.301 9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.427 -5.188 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.735 -4.750 9.983 1.00 0.00 H new ATOM 194 N PHE A 92 -1.671 -2.138 7.525 1.00 0.00 N ATOM 195 CA PHE A 92 -0.619 -1.528 6.716 1.00 0.00 C ATOM 196 C PHE A 92 -0.244 -0.163 7.270 1.00 0.00 C ATOM 197 O PHE A 92 0.915 0.242 7.203 1.00 0.00 O ATOM 198 CB PHE A 92 -1.067 -1.372 5.259 1.00 0.00 C ATOM 199 CG PHE A 92 -1.778 -2.619 4.794 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.357 -3.885 5.223 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.866 -2.509 3.921 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.019 -5.028 4.784 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.530 -3.656 3.481 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.106 -4.917 3.914 1.00 0.00 C ATOM 0 H PHE A 92 -2.559 -2.277 7.043 1.00 0.00 H new ATOM 0 HA PHE A 92 0.248 -2.187 6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.729 -0.511 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.202 -1.180 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.517 -3.974 5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.193 -1.535 3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.692 -6.002 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.370 -3.570 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.619 -5.805 3.575 1.00 0.00 H new ATOM 214 N ASP A 93 -1.227 0.544 7.803 1.00 0.00 N ATOM 215 CA ASP A 93 -0.973 1.866 8.344 1.00 0.00 C ATOM 216 C ASP A 93 -0.177 1.772 9.646 1.00 0.00 C ATOM 217 O ASP A 93 -0.667 2.150 10.710 1.00 0.00 O ATOM 218 CB ASP A 93 -2.303 2.587 8.605 1.00 0.00 C ATOM 219 CG ASP A 93 -2.088 4.097 8.666 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.038 4.550 8.228 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.976 4.779 9.143 1.00 0.00 O ATOM 0 H ASP A 93 -2.195 0.229 7.872 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.389 2.430 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.015 2.346 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.736 2.237 9.542 1.00 0.00 H new ATOM 226 N LYS A 94 1.045 1.262 9.564 1.00 0.00 N ATOM 227 CA LYS A 94 1.869 1.119 10.761 1.00 0.00 C ATOM 228 C LYS A 94 1.847 2.408 11.582 1.00 0.00 C ATOM 229 O LYS A 94 1.648 2.371 12.797 1.00 0.00 O ATOM 230 CB LYS A 94 3.312 0.783 10.372 1.00 0.00 C ATOM 231 CG LYS A 94 4.070 0.250 11.592 1.00 0.00 C ATOM 232 CD LYS A 94 5.473 -0.191 11.167 1.00 0.00 C ATOM 233 CE LYS A 94 6.260 -0.649 12.396 1.00 0.00 C ATOM 234 NZ LYS A 94 5.574 -1.816 13.019 1.00 0.00 N ATOM 0 H LYS A 94 1.483 0.945 8.699 1.00 0.00 H new ATOM 0 HA LYS A 94 1.461 0.308 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.319 0.039 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.809 1.672 9.983 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.136 1.022 12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.530 -0.589 12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.406 -1.002 10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.991 0.633 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.276 -0.921 12.110 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.339 0.166 13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.242 -2.323 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.767 -1.483 13.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.234 -2.457 12.274 1.00 0.00 H new ATOM 248 N ASP A 95 2.040 3.539 10.919 1.00 0.00 N ATOM 249 CA ASP A 95 2.037 4.821 11.612 1.00 0.00 C ATOM 250 C ASP A 95 0.613 5.225 11.979 1.00 0.00 C ATOM 251 O ASP A 95 0.397 6.252 12.618 1.00 0.00 O ATOM 252 CB ASP A 95 2.663 5.897 10.721 1.00 0.00 C ATOM 253 CG ASP A 95 1.755 6.182 9.532 1.00 0.00 C ATOM 254 OD1 ASP A 95 0.722 5.543 9.435 1.00 0.00 O ATOM 255 OD2 ASP A 95 2.112 7.020 8.723 1.00 0.00 O ATOM 0 H ASP A 95 2.199 3.597 9.913 1.00 0.00 H new ATOM 0 HA ASP A 95 2.622 4.722 12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.821 6.810 11.295 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.641 5.567 10.371 1.00 0.00 H new ATOM 260 N GLN A 96 -0.350 4.419 11.558 1.00 0.00 N ATOM 261 CA GLN A 96 -1.744 4.716 11.846 1.00 0.00 C ATOM 262 C GLN A 96 -2.057 6.173 11.493 1.00 0.00 C ATOM 263 O GLN A 96 -2.795 6.850 12.211 1.00 0.00 O ATOM 264 CB GLN A 96 -2.027 4.488 13.335 1.00 0.00 C ATOM 265 CG GLN A 96 -1.876 3.001 13.677 1.00 0.00 C ATOM 266 CD GLN A 96 -2.040 2.795 15.179 1.00 0.00 C ATOM 267 OE1 GLN A 96 -1.265 3.337 15.969 1.00 0.00 O ATOM 268 NE2 GLN A 96 -3.007 2.040 15.623 1.00 0.00 N ATOM 0 H GLN A 96 -0.195 3.565 11.023 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.372 4.056 11.247 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.339 5.080 13.939 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.035 4.825 13.578 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.622 2.417 13.137 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.898 2.643 13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.647 1.593 14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.123 1.897 16.626 1.00 0.00 H new ATOM 277 N ASN A 97 -1.484 6.666 10.397 1.00 0.00 N ATOM 278 CA ASN A 97 -1.714 8.054 9.992 1.00 0.00 C ATOM 279 C ASN A 97 -2.918 8.168 9.062 1.00 0.00 C ATOM 280 O ASN A 97 -3.187 9.237 8.516 1.00 0.00 O ATOM 281 CB ASN A 97 -0.476 8.602 9.285 1.00 0.00 C ATOM 282 CG ASN A 97 -0.260 7.849 7.981 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.935 6.852 7.723 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.641 8.264 7.136 1.00 0.00 N ATOM 0 H ASN A 97 -0.867 6.137 9.781 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.916 8.636 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.599 9.667 9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.399 8.497 9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.788 7.763 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.200 9.090 7.351 1.00 0.00 H new ATOM 291 N GLY A 98 -3.645 7.071 8.884 1.00 0.00 N ATOM 292 CA GLY A 98 -4.819 7.079 8.018 1.00 0.00 C ATOM 293 C GLY A 98 -4.428 6.939 6.550 1.00 0.00 C ATOM 294 O GLY A 98 -5.291 6.819 5.683 1.00 0.00 O ATOM 0 H GLY A 98 -3.445 6.172 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.485 6.263 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.373 8.007 8.162 1.00 0.00 H new ATOM 298 N TYR A 99 -3.125 6.961 6.274 1.00 0.00 N ATOM 299 CA TYR A 99 -2.624 6.836 4.899 1.00 0.00 C ATOM 300 C TYR A 99 -1.624 5.693 4.817 1.00 0.00 C ATOM 301 O TYR A 99 -1.206 5.170 5.844 1.00 0.00 O ATOM 302 CB TYR A 99 -1.938 8.140 4.477 1.00 0.00 C ATOM 303 CG TYR A 99 -2.989 9.163 4.121 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.686 9.833 5.131 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.272 9.431 2.778 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.665 10.772 4.798 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.251 10.371 2.445 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.948 11.043 3.454 1.00 0.00 C ATOM 309 OH TYR A 99 -5.914 11.973 3.125 1.00 0.00 O ATOM 0 H TYR A 99 -2.396 7.064 6.980 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.463 6.634 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.310 8.513 5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.284 7.961 3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.468 9.625 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.734 8.912 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.204 11.289 5.578 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.469 10.579 1.408 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.984 12.041 2.150 1.00 0.00 H new ATOM 319 N ILE A 100 -1.228 5.308 3.600 1.00 0.00 N ATOM 320 CA ILE A 100 -0.243 4.231 3.446 1.00 0.00 C ATOM 321 C ILE A 100 0.972 4.771 2.693 1.00 0.00 C ATOM 322 O ILE A 100 0.831 5.407 1.645 1.00 0.00 O ATOM 323 CB ILE A 100 -0.834 3.046 2.686 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.078 2.518 3.416 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.221 1.939 2.603 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.774 1.466 2.545 1.00 0.00 C ATOM 0 H ILE A 100 -1.564 5.714 2.726 1.00 0.00 H new ATOM 0 HA ILE A 100 0.051 3.883 4.436 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.124 3.363 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.793 2.082 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.763 3.339 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.189 1.086 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.100 2.313 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.503 1.629 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.657 1.091 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.073 1.917 1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.088 0.641 2.353 1.00 0.00 H new ATOM 338 N SER A 101 2.166 4.524 3.237 1.00 0.00 N ATOM 339 CA SER A 101 3.404 5.004 2.608 1.00 0.00 C ATOM 340 C SER A 101 4.139 3.854 1.926 1.00 0.00 C ATOM 341 O SER A 101 3.968 2.697 2.299 1.00 0.00 O ATOM 342 CB SER A 101 4.312 5.632 3.668 1.00 0.00 C ATOM 343 OG SER A 101 4.776 4.620 4.551 1.00 0.00 O ATOM 0 H SER A 101 2.304 4.001 4.102 1.00 0.00 H new ATOM 0 HA SER A 101 3.145 5.751 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.157 6.129 3.191 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.767 6.394 4.225 1.00 0.00 H new ATOM 0 HG SER A 101 5.703 4.392 4.329 1.00 0.00 H new ATOM 349 N ALA A 102 4.956 4.171 0.923 1.00 0.00 N ATOM 350 CA ALA A 102 5.694 3.132 0.217 1.00 0.00 C ATOM 351 C ALA A 102 6.447 2.255 1.220 1.00 0.00 C ATOM 352 O ALA A 102 6.513 1.036 1.058 1.00 0.00 O ATOM 353 CB ALA A 102 6.679 3.757 -0.770 1.00 0.00 C ATOM 0 H ALA A 102 5.120 5.120 0.588 1.00 0.00 H new ATOM 0 HA ALA A 102 4.987 2.516 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.223 2.968 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.134 4.361 -1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.384 4.389 -0.230 1.00 0.00 H new ATOM 359 N SER A 103 7.004 2.876 2.258 1.00 0.00 N ATOM 360 CA SER A 103 7.734 2.123 3.274 1.00 0.00 C ATOM 361 C SER A 103 6.811 1.106 3.952 1.00 0.00 C ATOM 362 O SER A 103 7.196 -0.035 4.186 1.00 0.00 O ATOM 363 CB SER A 103 8.318 3.073 4.317 1.00 0.00 C ATOM 364 OG SER A 103 7.264 3.790 4.942 1.00 0.00 O ATOM 0 H SER A 103 6.965 3.883 2.416 1.00 0.00 H new ATOM 0 HA SER A 103 8.549 1.587 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.882 2.511 5.061 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.014 3.766 3.845 1.00 0.00 H new ATOM 0 HG SER A 103 7.636 4.400 5.613 1.00 0.00 H new ATOM 370 N GLU A 104 5.587 1.515 4.276 1.00 0.00 N ATOM 371 CA GLU A 104 4.655 0.612 4.906 1.00 0.00 C ATOM 372 C GLU A 104 4.212 -0.474 3.921 1.00 0.00 C ATOM 373 O GLU A 104 4.087 -1.642 4.289 1.00 0.00 O ATOM 374 CB GLU A 104 3.444 1.394 5.404 1.00 0.00 C ATOM 375 CG GLU A 104 3.842 2.289 6.577 1.00 0.00 C ATOM 376 CD GLU A 104 2.621 3.068 7.050 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.581 2.934 6.425 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.741 3.797 8.021 1.00 0.00 O ATOM 0 H GLU A 104 5.230 2.456 4.111 1.00 0.00 H new ATOM 0 HA GLU A 104 5.146 0.130 5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.036 2.001 4.596 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.658 0.705 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.241 1.685 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.632 2.976 6.274 1.00 0.00 H new ATOM 385 N LEU A 105 3.980 -0.089 2.667 1.00 0.00 N ATOM 386 CA LEU A 105 3.559 -1.054 1.653 1.00 0.00 C ATOM 387 C LEU A 105 4.663 -2.082 1.389 1.00 0.00 C ATOM 388 O LEU A 105 4.395 -3.280 1.280 1.00 0.00 O ATOM 389 CB LEU A 105 3.200 -0.318 0.347 1.00 0.00 C ATOM 390 CG LEU A 105 2.852 -1.324 -0.771 1.00 0.00 C ATOM 391 CD1 LEU A 105 1.747 -2.280 -0.304 1.00 0.00 C ATOM 392 CD2 LEU A 105 2.375 -0.570 -2.029 1.00 0.00 C ATOM 0 H LEU A 105 4.075 0.870 2.332 1.00 0.00 H new ATOM 0 HA LEU A 105 2.680 -1.582 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.354 0.347 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.037 0.306 0.034 1.00 0.00 H new ATOM 0 HG LEU A 105 3.747 -1.900 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.513 -2.983 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.088 -2.829 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.854 -1.708 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.132 -1.287 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.489 0.018 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.166 0.093 -2.378 1.00 0.00 H new ATOM 404 N ARG A 106 5.894 -1.608 1.294 1.00 0.00 N ATOM 405 CA ARG A 106 7.005 -2.508 1.039 1.00 0.00 C ATOM 406 C ARG A 106 7.121 -3.530 2.174 1.00 0.00 C ATOM 407 O ARG A 106 7.323 -4.715 1.930 1.00 0.00 O ATOM 408 CB ARG A 106 8.310 -1.700 0.859 1.00 0.00 C ATOM 409 CG ARG A 106 9.122 -1.726 2.153 1.00 0.00 C ATOM 410 CD ARG A 106 10.357 -0.872 2.023 1.00 0.00 C ATOM 411 NE ARG A 106 11.108 -0.908 3.271 1.00 0.00 N ATOM 412 CZ ARG A 106 12.029 0.006 3.530 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.247 0.957 2.667 1.00 0.00 N ATOM 414 NH2 ARG A 106 12.710 -0.042 4.642 1.00 0.00 N ATOM 0 H ARG A 106 6.146 -0.624 1.388 1.00 0.00 H new ATOM 0 HA ARG A 106 6.826 -3.057 0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.898 -2.119 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.076 -0.671 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.510 -1.366 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.406 -2.751 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.977 -1.234 1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.079 0.154 1.784 1.00 0.00 H new ATOM 0 HE ARG A 106 10.922 -1.645 3.951 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.710 0.992 1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.955 1.666 2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.533 -0.787 5.316 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.419 0.665 4.837 1.00 0.00 H new ATOM 428 N HIS A 107 7.048 -3.046 3.410 1.00 0.00 N ATOM 429 CA HIS A 107 7.176 -3.924 4.559 1.00 0.00 C ATOM 430 C HIS A 107 6.103 -4.996 4.481 1.00 0.00 C ATOM 431 O HIS A 107 6.370 -6.173 4.714 1.00 0.00 O ATOM 432 CB HIS A 107 7.037 -3.127 5.858 1.00 0.00 C ATOM 433 CG HIS A 107 7.277 -4.037 7.029 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.351 -4.190 8.048 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.333 -4.852 7.356 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.862 -5.067 8.932 1.00 0.00 C ATOM 437 NE2 HIS A 107 8.068 -5.501 8.558 1.00 0.00 N ATOM 0 H HIS A 107 6.903 -2.062 3.636 1.00 0.00 H new ATOM 0 HA HIS A 107 8.161 -4.391 4.552 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.751 -2.304 5.871 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.042 -2.687 5.923 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.232 -4.971 6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.358 -5.381 9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.667 -6.166 9.048 1.00 0.00 H new ATOM 446 N VAL A 108 4.888 -4.587 4.127 1.00 0.00 N ATOM 447 CA VAL A 108 3.792 -5.537 3.999 1.00 0.00 C ATOM 448 C VAL A 108 4.080 -6.521 2.867 1.00 0.00 C ATOM 449 O VAL A 108 3.870 -7.726 3.014 1.00 0.00 O ATOM 450 CB VAL A 108 2.480 -4.798 3.731 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.369 -5.812 3.440 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.102 -3.970 4.963 1.00 0.00 C ATOM 0 H VAL A 108 4.641 -3.618 3.927 1.00 0.00 H new ATOM 0 HA VAL A 108 3.698 -6.091 4.933 1.00 0.00 H new ATOM 0 HB VAL A 108 2.604 -4.140 2.871 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.435 -5.284 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.637 -6.404 2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.244 -6.471 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.167 -3.442 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.979 -4.630 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.891 -3.247 5.172 1.00 0.00 H new ATOM 462 N MET A 109 4.563 -6.009 1.738 1.00 0.00 N ATOM 463 CA MET A 109 4.868 -6.872 0.604 1.00 0.00 C ATOM 464 C MET A 109 5.930 -7.899 0.992 1.00 0.00 C ATOM 465 O MET A 109 5.818 -9.075 0.644 1.00 0.00 O ATOM 466 CB MET A 109 5.366 -6.026 -0.573 1.00 0.00 C ATOM 467 CG MET A 109 4.174 -5.371 -1.281 1.00 0.00 C ATOM 468 SD MET A 109 3.219 -6.634 -2.156 1.00 0.00 S ATOM 469 CE MET A 109 1.779 -5.606 -2.532 1.00 0.00 C ATOM 0 H MET A 109 4.749 -5.018 1.586 1.00 0.00 H new ATOM 0 HA MET A 109 3.961 -7.400 0.309 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.055 -5.260 -0.217 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.919 -6.651 -1.274 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.542 -4.861 -0.554 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.526 -4.615 -1.983 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.053 -6.190 -3.097 1.00 0.00 H new ATOM 0 HE2 MET A 109 1.324 -5.263 -1.603 1.00 0.00 H new ATOM 0 HE3 MET A 109 2.091 -4.745 -3.123 1.00 0.00 H new ATOM 479 N ILE A 110 6.946 -7.463 1.729 1.00 0.00 N ATOM 480 CA ILE A 110 7.995 -8.378 2.161 1.00 0.00 C ATOM 481 C ILE A 110 7.405 -9.438 3.092 1.00 0.00 C ATOM 482 O ILE A 110 7.702 -10.625 2.965 1.00 0.00 O ATOM 483 CB ILE A 110 9.106 -7.610 2.876 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.825 -6.708 1.869 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.113 -8.596 3.476 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.752 -5.750 2.616 1.00 0.00 C ATOM 0 H ILE A 110 7.065 -6.497 2.036 1.00 0.00 H new ATOM 0 HA ILE A 110 8.420 -8.869 1.285 1.00 0.00 H new ATOM 0 HB ILE A 110 8.672 -7.005 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.399 -7.313 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.097 -6.145 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.903 -8.044 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.606 -9.245 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.547 -9.202 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.264 -5.107 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.166 -5.136 3.300 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.488 -6.322 3.181 1.00 0.00 H new ATOM 498 N ASN A 111 6.561 -9.003 4.021 1.00 0.00 N ATOM 499 CA ASN A 111 5.934 -9.931 4.952 1.00 0.00 C ATOM 500 C ASN A 111 5.047 -10.911 4.192 1.00 0.00 C ATOM 501 O ASN A 111 4.906 -12.070 4.583 1.00 0.00 O ATOM 502 CB ASN A 111 5.108 -9.169 5.990 1.00 0.00 C ATOM 503 CG ASN A 111 4.308 -10.148 6.850 1.00 0.00 C ATOM 504 OD1 ASN A 111 3.115 -9.941 7.080 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.894 -11.209 7.339 1.00 0.00 N ATOM 0 H ASN A 111 6.298 -8.026 4.148 1.00 0.00 H new ATOM 0 HA ASN A 111 6.715 -10.487 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.766 -8.572 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.431 -8.476 5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.364 -11.866 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.881 -11.380 7.148 1.00 0.00 H new ATOM 512 N LEU A 112 4.453 -10.440 3.103 1.00 0.00 N ATOM 513 CA LEU A 112 3.585 -11.286 2.298 1.00 0.00 C ATOM 514 C LEU A 112 4.399 -12.255 1.446 1.00 0.00 C ATOM 515 O LEU A 112 3.844 -13.086 0.730 1.00 0.00 O ATOM 516 CB LEU A 112 2.706 -10.426 1.384 1.00 0.00 C ATOM 517 CG LEU A 112 1.571 -9.777 2.190 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.878 -8.703 1.343 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.540 -10.844 2.597 1.00 0.00 C ATOM 0 H LEU A 112 4.556 -9.485 2.760 1.00 0.00 H new ATOM 0 HA LEU A 112 2.956 -11.860 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.311 -9.654 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.289 -11.041 0.586 1.00 0.00 H new ATOM 0 HG LEU A 112 1.993 -9.319 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.074 -8.247 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.602 -7.938 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.465 -9.160 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.262 -10.376 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.125 -11.309 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.025 -11.604 3.209 1.00 0.00 H new ATOM 531 N GLY A 113 5.712 -12.144 1.524 1.00 0.00 N ATOM 532 CA GLY A 113 6.585 -13.023 0.748 1.00 0.00 C ATOM 533 C GLY A 113 6.786 -12.482 -0.663 1.00 0.00 C ATOM 534 O GLY A 113 7.313 -13.175 -1.533 1.00 0.00 O ATOM 0 H GLY A 113 6.199 -11.464 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.550 -13.117 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.152 -14.022 0.700 1.00 0.00 H new ATOM 538 N GLU A 114 6.365 -11.236 -0.885 1.00 0.00 N ATOM 539 CA GLU A 114 6.504 -10.598 -2.198 1.00 0.00 C ATOM 540 C GLU A 114 7.577 -9.514 -2.137 1.00 0.00 C ATOM 541 O GLU A 114 7.516 -8.625 -1.292 1.00 0.00 O ATOM 542 CB GLU A 114 5.178 -9.955 -2.610 1.00 0.00 C ATOM 543 CG GLU A 114 4.125 -11.038 -2.856 1.00 0.00 C ATOM 544 CD GLU A 114 2.783 -10.386 -3.177 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.734 -9.168 -3.223 1.00 0.00 O ATOM 546 OE2 GLU A 114 1.823 -11.114 -3.372 1.00 0.00 O ATOM 0 H GLU A 114 5.926 -10.649 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 114 6.787 -11.358 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.836 -9.275 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.318 -9.360 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.435 -11.680 -3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.030 -11.674 -1.976 1.00 0.00 H new ATOM 553 N LYS A 115 8.569 -9.599 -3.016 1.00 0.00 N ATOM 554 CA LYS A 115 9.664 -8.621 -3.035 1.00 0.00 C ATOM 555 C LYS A 115 9.801 -8.016 -4.430 1.00 0.00 C ATOM 556 O LYS A 115 10.354 -8.640 -5.334 1.00 0.00 O ATOM 557 CB LYS A 115 10.992 -9.303 -2.633 1.00 0.00 C ATOM 558 CG LYS A 115 10.884 -10.815 -2.850 1.00 0.00 C ATOM 559 CD LYS A 115 10.800 -11.111 -4.347 1.00 0.00 C ATOM 560 CE LYS A 115 10.912 -12.615 -4.571 1.00 0.00 C ATOM 561 NZ LYS A 115 10.782 -12.910 -6.025 1.00 0.00 N ATOM 0 H LYS A 115 8.643 -10.329 -3.724 1.00 0.00 H new ATOM 0 HA LYS A 115 9.438 -7.829 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.813 -8.899 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.219 -9.091 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.749 -11.318 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.002 -11.204 -2.342 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.857 -10.741 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 115 11.599 -10.592 -4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.870 -12.979 -4.199 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.135 -13.136 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.858 -13.936 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.858 -12.576 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.539 -12.424 -6.547 1.00 0.00 H new ATOM 575 N LEU A 116 9.315 -6.795 -4.600 1.00 0.00 N ATOM 576 CA LEU A 116 9.400 -6.122 -5.893 1.00 0.00 C ATOM 577 C LEU A 116 10.475 -5.045 -5.848 1.00 0.00 C ATOM 578 O LEU A 116 10.792 -4.531 -4.779 1.00 0.00 O ATOM 579 CB LEU A 116 8.048 -5.486 -6.240 1.00 0.00 C ATOM 580 CG LEU A 116 6.934 -6.555 -6.194 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.278 -6.565 -4.807 1.00 0.00 C ATOM 582 CD2 LEU A 116 5.875 -6.233 -7.251 1.00 0.00 C ATOM 0 H LEU A 116 8.860 -6.251 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 116 9.659 -6.855 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.823 -4.684 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.092 -5.037 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 116 7.369 -7.534 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.493 -7.321 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.029 -6.795 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.845 -5.586 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.088 -6.987 -7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.446 -5.252 -7.049 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.336 -6.231 -8.239 1.00 0.00 H new ATOM 594 N THR A 117 11.044 -4.705 -7.001 1.00 0.00 N ATOM 595 CA THR A 117 12.085 -3.684 -7.031 1.00 0.00 C ATOM 596 C THR A 117 11.485 -2.331 -6.649 1.00 0.00 C ATOM 597 O THR A 117 10.269 -2.158 -6.691 1.00 0.00 O ATOM 598 CB THR A 117 12.703 -3.602 -8.428 1.00 0.00 C ATOM 599 OG1 THR A 117 11.705 -3.220 -9.361 1.00 0.00 O ATOM 600 CG2 THR A 117 13.275 -4.967 -8.820 1.00 0.00 C ATOM 0 H THR A 117 10.809 -5.111 -7.907 1.00 0.00 H new ATOM 0 HA THR A 117 12.865 -3.949 -6.317 1.00 0.00 H new ATOM 0 HB THR A 117 13.505 -2.864 -8.427 1.00 0.00 H new ATOM 0 HG1 THR A 117 11.381 -4.013 -9.837 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.714 -4.905 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.042 -5.260 -8.103 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.477 -5.709 -8.821 1.00 0.00 H new ATOM 608 N ASP A 118 12.331 -1.372 -6.278 1.00 0.00 N ATOM 609 CA ASP A 118 11.830 -0.055 -5.896 1.00 0.00 C ATOM 610 C ASP A 118 11.110 0.605 -7.068 1.00 0.00 C ATOM 611 O ASP A 118 10.082 1.260 -6.884 1.00 0.00 O ATOM 612 CB ASP A 118 12.984 0.834 -5.426 1.00 0.00 C ATOM 613 CG ASP A 118 12.455 2.212 -5.040 1.00 0.00 C ATOM 614 OD1 ASP A 118 11.688 2.286 -4.094 1.00 0.00 O ATOM 615 OD2 ASP A 118 12.824 3.171 -5.696 1.00 0.00 O ATOM 0 H ASP A 118 13.345 -1.478 -6.234 1.00 0.00 H new ATOM 0 HA ASP A 118 11.122 -0.181 -5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.484 0.375 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.727 0.929 -6.218 1.00 0.00 H new ATOM 620 N GLU A 119 11.645 0.428 -8.271 1.00 0.00 N ATOM 621 CA GLU A 119 11.027 1.016 -9.452 1.00 0.00 C ATOM 622 C GLU A 119 9.578 0.552 -9.587 1.00 0.00 C ATOM 623 O GLU A 119 8.717 1.318 -10.019 1.00 0.00 O ATOM 624 CB GLU A 119 11.814 0.636 -10.707 1.00 0.00 C ATOM 625 CG GLU A 119 13.182 1.320 -10.674 1.00 0.00 C ATOM 626 CD GLU A 119 14.004 0.906 -11.889 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.488 0.158 -12.703 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.139 1.343 -11.988 1.00 0.00 O ATOM 0 H GLU A 119 12.493 -0.110 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 119 11.038 2.100 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.937 -0.446 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.265 0.938 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.056 2.403 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.710 1.051 -9.759 1.00 0.00 H new ATOM 635 N GLU A 120 9.306 -0.692 -9.202 1.00 0.00 N ATOM 636 CA GLU A 120 7.947 -1.208 -9.279 1.00 0.00 C ATOM 637 C GLU A 120 7.089 -0.590 -8.181 1.00 0.00 C ATOM 638 O GLU A 120 5.991 -0.098 -8.441 1.00 0.00 O ATOM 639 CB GLU A 120 7.960 -2.730 -9.146 1.00 0.00 C ATOM 640 CG GLU A 120 8.670 -3.344 -10.354 1.00 0.00 C ATOM 641 CD GLU A 120 7.868 -3.076 -11.623 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.678 -2.830 -11.506 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.451 -3.127 -12.694 1.00 0.00 O ATOM 0 H GLU A 120 9.997 -1.350 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 120 7.521 -0.942 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.468 -3.021 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.940 -3.108 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.671 -2.923 -10.451 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.789 -4.418 -10.209 1.00 0.00 H new ATOM 650 N VAL A 121 7.599 -0.606 -6.954 1.00 0.00 N ATOM 651 CA VAL A 121 6.862 -0.028 -5.837 1.00 0.00 C ATOM 652 C VAL A 121 6.704 1.477 -6.033 1.00 0.00 C ATOM 653 O VAL A 121 5.625 2.028 -5.824 1.00 0.00 O ATOM 654 CB VAL A 121 7.583 -0.317 -4.516 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.906 0.450 -3.377 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.520 -1.819 -4.220 1.00 0.00 C ATOM 0 H VAL A 121 8.505 -1.006 -6.710 1.00 0.00 H new ATOM 0 HA VAL A 121 5.872 -0.483 -5.800 1.00 0.00 H new ATOM 0 HB VAL A 121 8.623 -0.000 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.422 0.241 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.947 1.519 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.865 0.136 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.032 -2.027 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.479 -2.131 -4.142 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.004 -2.369 -5.027 1.00 0.00 H new ATOM 666 N GLU A 122 7.782 2.140 -6.441 1.00 0.00 N ATOM 667 CA GLU A 122 7.730 3.578 -6.660 1.00 0.00 C ATOM 668 C GLU A 122 6.762 3.901 -7.795 1.00 0.00 C ATOM 669 O GLU A 122 6.033 4.890 -7.738 1.00 0.00 O ATOM 670 CB GLU A 122 9.126 4.112 -6.992 1.00 0.00 C ATOM 671 CG GLU A 122 9.106 5.643 -7.001 1.00 0.00 C ATOM 672 CD GLU A 122 8.920 6.167 -5.582 1.00 0.00 C ATOM 673 OE1 GLU A 122 8.979 5.367 -4.663 1.00 0.00 O ATOM 674 OE2 GLU A 122 8.717 7.361 -5.434 1.00 0.00 O ATOM 0 H GLU A 122 8.689 1.710 -6.624 1.00 0.00 H new ATOM 0 HA GLU A 122 7.377 4.059 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.847 3.753 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.447 3.737 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 122 10.037 6.025 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 122 8.298 6.001 -7.639 1.00 0.00 H new ATOM 681 N GLN A 123 6.751 3.060 -8.823 1.00 0.00 N ATOM 682 CA GLN A 123 5.853 3.275 -9.952 1.00 0.00 C ATOM 683 C GLN A 123 4.407 2.990 -9.546 1.00 0.00 C ATOM 684 O GLN A 123 3.495 3.729 -9.916 1.00 0.00 O ATOM 685 CB GLN A 123 6.253 2.379 -11.126 1.00 0.00 C ATOM 686 CG GLN A 123 5.343 2.662 -12.325 1.00 0.00 C ATOM 687 CD GLN A 123 5.813 1.863 -13.535 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.948 1.387 -13.563 1.00 0.00 O ATOM 689 NE2 GLN A 123 5.003 1.685 -14.544 1.00 0.00 N ATOM 0 H GLN A 123 7.345 2.234 -8.899 1.00 0.00 H new ATOM 0 HA GLN A 123 5.931 4.317 -10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.293 2.560 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.176 1.330 -10.838 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.314 2.398 -12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.352 3.727 -12.556 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.063 2.080 -14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.310 1.151 -15.357 1.00 0.00 H new ATOM 698 N MET A 124 4.199 1.918 -8.784 1.00 0.00 N ATOM 699 CA MET A 124 2.863 1.566 -8.345 1.00 0.00 C ATOM 700 C MET A 124 2.303 2.653 -7.431 1.00 0.00 C ATOM 701 O MET A 124 1.139 3.033 -7.550 1.00 0.00 O ATOM 702 CB MET A 124 2.903 0.223 -7.618 1.00 0.00 C ATOM 703 CG MET A 124 1.491 -0.182 -7.217 1.00 0.00 C ATOM 704 SD MET A 124 1.485 -1.903 -6.649 1.00 0.00 S ATOM 705 CE MET A 124 2.712 -1.719 -5.332 1.00 0.00 C ATOM 0 H MET A 124 4.934 1.288 -8.464 1.00 0.00 H new ATOM 0 HA MET A 124 2.209 1.481 -9.213 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.341 -0.538 -8.263 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.537 0.295 -6.734 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.126 0.473 -6.426 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.815 -0.067 -8.064 1.00 0.00 H new ATOM 0 HE1 MET A 124 2.557 -2.492 -4.579 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.713 -1.817 -5.751 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.606 -0.737 -4.871 1.00 0.00 H new ATOM 715 N ILE A 125 3.136 3.159 -6.529 1.00 0.00 N ATOM 716 CA ILE A 125 2.696 4.212 -5.622 1.00 0.00 C ATOM 717 C ILE A 125 2.344 5.466 -6.417 1.00 0.00 C ATOM 718 O ILE A 125 1.306 6.087 -6.201 1.00 0.00 O ATOM 719 CB ILE A 125 3.815 4.523 -4.619 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.055 3.296 -3.707 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.428 5.746 -3.774 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.087 3.298 -2.517 1.00 0.00 C ATOM 0 H ILE A 125 4.104 2.863 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 125 1.811 3.878 -5.081 1.00 0.00 H new ATOM 0 HB ILE A 125 4.735 4.745 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.927 2.380 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.083 3.303 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.225 5.964 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.278 6.606 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.506 5.537 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.277 2.425 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.235 4.204 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.061 3.266 -2.883 1.00 0.00 H new ATOM 734 N LYS A 126 3.215 5.815 -7.352 1.00 0.00 N ATOM 735 CA LYS A 126 2.990 6.982 -8.195 1.00 0.00 C ATOM 736 C LYS A 126 1.784 6.773 -9.101 1.00 0.00 C ATOM 737 O LYS A 126 0.973 7.678 -9.294 1.00 0.00 O ATOM 738 CB LYS A 126 4.227 7.257 -9.035 1.00 0.00 C ATOM 739 CG LYS A 126 5.399 7.633 -8.117 1.00 0.00 C ATOM 740 CD LYS A 126 5.345 9.130 -7.793 1.00 0.00 C ATOM 741 CE LYS A 126 6.529 9.502 -6.904 1.00 0.00 C ATOM 742 NZ LYS A 126 6.453 10.950 -6.563 1.00 0.00 N ATOM 0 H LYS A 126 4.080 5.311 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 126 2.791 7.839 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.482 6.376 -9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.029 8.066 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.354 7.051 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.345 7.390 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.370 9.713 -8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.409 9.370 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.518 8.901 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.466 9.286 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.258 11.207 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.483 11.514 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 5.565 11.141 -6.057 1.00 0.00 H new ATOM 756 N GLU A 127 1.672 5.573 -9.649 1.00 0.00 N ATOM 757 CA GLU A 127 0.559 5.248 -10.531 1.00 0.00 C ATOM 758 C GLU A 127 -0.735 5.091 -9.746 1.00 0.00 C ATOM 759 O GLU A 127 -1.814 5.433 -10.228 1.00 0.00 O ATOM 760 CB GLU A 127 0.852 3.959 -11.277 1.00 0.00 C ATOM 761 CG GLU A 127 -0.159 3.778 -12.415 1.00 0.00 C ATOM 762 CD GLU A 127 0.127 4.778 -13.530 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.140 5.451 -13.452 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.674 4.855 -14.448 1.00 0.00 O ATOM 0 H GLU A 127 2.334 4.811 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 127 0.439 6.068 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.865 3.982 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.799 3.112 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -0.103 2.761 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.172 3.920 -12.039 1.00 0.00 H new ATOM 771 N ALA A 128 -0.620 4.555 -8.543 1.00 0.00 N ATOM 772 CA ALA A 128 -1.796 4.342 -7.706 1.00 0.00 C ATOM 773 C ALA A 128 -2.343 5.659 -7.178 1.00 0.00 C ATOM 774 O ALA A 128 -3.546 5.802 -6.968 1.00 0.00 O ATOM 775 CB ALA A 128 -1.460 3.430 -6.530 1.00 0.00 C ATOM 0 H ALA A 128 0.263 4.261 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.557 3.869 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.350 3.283 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.114 2.466 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.676 3.888 -5.927 1.00 0.00 H new ATOM 781 N ASP A 129 -1.457 6.614 -6.948 1.00 0.00 N ATOM 782 CA ASP A 129 -1.875 7.903 -6.413 1.00 0.00 C ATOM 783 C ASP A 129 -2.563 8.748 -7.466 1.00 0.00 C ATOM 784 O ASP A 129 -1.977 9.081 -8.492 1.00 0.00 O ATOM 785 CB ASP A 129 -0.674 8.664 -5.884 1.00 0.00 C ATOM 786 CG ASP A 129 -1.123 9.797 -4.972 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.977 9.553 -4.139 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.600 10.887 -5.114 1.00 0.00 O ATOM 0 H ASP A 129 -0.456 6.525 -7.120 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.581 7.706 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.018 7.986 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.095 9.066 -6.716 1.00 0.00 H new ATOM 793 N LEU A 130 -3.812 9.097 -7.200 1.00 0.00 N ATOM 794 CA LEU A 130 -4.571 9.915 -8.135 1.00 0.00 C ATOM 795 C LEU A 130 -4.333 11.402 -7.901 1.00 0.00 C ATOM 796 O LEU A 130 -4.526 12.217 -8.805 1.00 0.00 O ATOM 797 CB LEU A 130 -6.072 9.613 -8.019 1.00 0.00 C ATOM 798 CG LEU A 130 -6.874 10.484 -9.005 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.358 10.279 -10.437 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.356 10.093 -8.938 1.00 0.00 C ATOM 0 H LEU A 130 -4.318 8.831 -6.355 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.226 9.665 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.254 8.558 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.410 9.802 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.754 11.532 -8.732 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -6.933 10.900 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.306 10.560 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.468 9.231 -10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.926 10.708 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.468 9.042 -9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.729 10.251 -7.926 1.00 0.00 H new ATOM 812 N ASP A 131 -3.937 11.759 -6.684 1.00 0.00 N ATOM 813 CA ASP A 131 -3.705 13.164 -6.349 1.00 0.00 C ATOM 814 C ASP A 131 -2.216 13.489 -6.307 1.00 0.00 C ATOM 815 O ASP A 131 -1.829 14.570 -5.868 1.00 0.00 O ATOM 816 CB ASP A 131 -4.323 13.483 -4.989 1.00 0.00 C ATOM 817 CG ASP A 131 -3.763 12.542 -3.930 1.00 0.00 C ATOM 818 OD1 ASP A 131 -3.052 11.626 -4.301 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.054 12.751 -2.765 1.00 0.00 O ATOM 0 H ASP A 131 -3.771 11.105 -5.919 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.171 13.771 -7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.111 14.517 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.407 13.383 -5.040 1.00 0.00 H new ATOM 824 N GLY A 132 -1.379 12.567 -6.763 1.00 0.00 N ATOM 825 CA GLY A 132 0.057 12.812 -6.758 1.00 0.00 C ATOM 826 C GLY A 132 0.510 13.430 -5.432 1.00 0.00 C ATOM 827 O GLY A 132 1.488 14.174 -5.395 1.00 0.00 O ATOM 0 H GLY A 132 -1.661 11.660 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.589 11.875 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.318 13.478 -7.580 1.00 0.00 H new ATOM 831 N ASP A 133 -0.198 13.120 -4.345 1.00 0.00 N ATOM 832 CA ASP A 133 0.170 13.658 -3.039 1.00 0.00 C ATOM 833 C ASP A 133 1.423 12.966 -2.512 1.00 0.00 C ATOM 834 O ASP A 133 2.087 13.469 -1.605 1.00 0.00 O ATOM 835 CB ASP A 133 -0.976 13.462 -2.047 1.00 0.00 C ATOM 836 CG ASP A 133 -1.164 11.976 -1.771 1.00 0.00 C ATOM 837 OD1 ASP A 133 -1.039 11.199 -2.704 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.438 11.634 -0.634 1.00 0.00 O ATOM 0 H ASP A 133 -1.015 12.510 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 133 0.372 14.723 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.761 13.990 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.896 13.887 -2.450 1.00 0.00 H new ATOM 843 N GLY A 134 1.742 11.809 -3.084 1.00 0.00 N ATOM 844 CA GLY A 134 2.918 11.055 -2.670 1.00 0.00 C ATOM 845 C GLY A 134 2.523 9.953 -1.710 1.00 0.00 C ATOM 846 O GLY A 134 3.348 9.125 -1.323 1.00 0.00 O ATOM 0 H GLY A 134 1.203 11.375 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.410 10.627 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.637 11.722 -2.194 1.00 0.00 H new ATOM 850 N GLN A 135 1.258 9.962 -1.303 1.00 0.00 N ATOM 851 CA GLN A 135 0.751 8.980 -0.362 1.00 0.00 C ATOM 852 C GLN A 135 -0.457 8.261 -0.940 1.00 0.00 C ATOM 853 O GLN A 135 -1.303 8.879 -1.584 1.00 0.00 O ATOM 854 CB GLN A 135 0.350 9.718 0.929 1.00 0.00 C ATOM 855 CG GLN A 135 1.387 9.467 2.022 1.00 0.00 C ATOM 856 CD GLN A 135 1.186 10.445 3.171 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.441 10.158 4.108 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.812 11.590 3.158 1.00 0.00 N ATOM 0 H GLN A 135 0.565 10.643 -1.614 1.00 0.00 H new ATOM 0 HA GLN A 135 1.520 8.236 -0.155 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.267 10.787 0.735 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.630 9.377 1.262 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.301 8.443 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.391 9.577 1.613 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.429 11.825 2.380 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.685 12.250 3.925 1.00 0.00 H new ATOM 867 N VAL A 136 -0.554 6.964 -0.684 1.00 0.00 N ATOM 868 CA VAL A 136 -1.691 6.206 -1.173 1.00 0.00 C ATOM 869 C VAL A 136 -2.869 6.438 -0.232 1.00 0.00 C ATOM 870 O VAL A 136 -2.773 6.149 0.963 1.00 0.00 O ATOM 871 CB VAL A 136 -1.343 4.710 -1.225 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.621 3.872 -1.331 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.467 4.437 -2.445 1.00 0.00 C ATOM 0 H VAL A 136 0.128 6.425 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.951 6.533 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.811 4.439 -0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.361 2.814 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.253 4.061 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.160 4.144 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.218 3.376 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.006 4.717 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.450 5.022 -2.373 1.00 0.00 H new ATOM 883 N ASN A 137 -3.981 6.950 -0.763 1.00 0.00 N ATOM 884 CA ASN A 137 -5.171 7.195 0.064 1.00 0.00 C ATOM 885 C ASN A 137 -6.144 6.023 -0.052 1.00 0.00 C ATOM 886 O ASN A 137 -5.991 5.167 -0.921 1.00 0.00 O ATOM 887 CB ASN A 137 -5.862 8.490 -0.377 1.00 0.00 C ATOM 888 CG ASN A 137 -6.968 8.864 0.608 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.817 8.684 1.817 1.00 0.00 O ATOM 890 ND2 ASN A 137 -8.081 9.378 0.158 1.00 0.00 N ATOM 0 H ASN A 137 -4.086 7.201 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.859 7.295 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.132 9.297 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.282 8.364 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.826 9.631 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.206 9.527 -0.843 1.00 0.00 H new ATOM 897 N TYR A 138 -7.130 5.970 0.838 1.00 0.00 N ATOM 898 CA TYR A 138 -8.090 4.874 0.817 1.00 0.00 C ATOM 899 C TYR A 138 -8.601 4.618 -0.605 1.00 0.00 C ATOM 900 O TYR A 138 -8.567 3.487 -1.081 1.00 0.00 O ATOM 901 CB TYR A 138 -9.274 5.204 1.725 1.00 0.00 C ATOM 902 CG TYR A 138 -10.094 3.957 1.954 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.670 3.003 2.886 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.279 3.758 1.239 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.431 1.850 3.102 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.041 2.606 1.454 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.618 1.651 2.387 1.00 0.00 C ATOM 908 OH TYR A 138 -12.371 0.514 2.599 1.00 0.00 O ATOM 0 H TYR A 138 -7.284 6.662 1.572 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.586 3.976 1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.918 5.598 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.890 5.979 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.755 3.157 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.606 4.495 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.103 1.113 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -12.956 2.452 0.901 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.302 0.766 2.772 1.00 0.00 H new ATOM 918 N GLU A 139 -9.082 5.660 -1.275 1.00 0.00 N ATOM 919 CA GLU A 139 -9.603 5.498 -2.633 1.00 0.00 C ATOM 920 C GLU A 139 -8.543 4.938 -3.568 1.00 0.00 C ATOM 921 O GLU A 139 -8.822 4.032 -4.356 1.00 0.00 O ATOM 922 CB GLU A 139 -10.102 6.845 -3.157 1.00 0.00 C ATOM 923 CG GLU A 139 -10.747 6.664 -4.531 1.00 0.00 C ATOM 924 CD GLU A 139 -11.295 8.000 -5.023 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.967 9.009 -4.422 1.00 0.00 O ATOM 926 OE2 GLU A 139 -12.034 7.995 -5.995 1.00 0.00 O ATOM 0 H GLU A 139 -9.123 6.612 -0.910 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.430 4.789 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.824 7.271 -2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.272 7.548 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.014 6.278 -5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -11.551 5.930 -4.472 1.00 0.00 H new ATOM 933 N GLU A 140 -7.335 5.464 -3.482 1.00 0.00 N ATOM 934 CA GLU A 140 -6.267 4.986 -4.339 1.00 0.00 C ATOM 935 C GLU A 140 -5.963 3.524 -4.038 1.00 0.00 C ATOM 936 O GLU A 140 -5.760 2.727 -4.952 1.00 0.00 O ATOM 937 CB GLU A 140 -5.017 5.848 -4.159 1.00 0.00 C ATOM 938 CG GLU A 140 -5.332 7.287 -4.586 1.00 0.00 C ATOM 939 CD GLU A 140 -4.355 8.264 -3.949 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.613 7.852 -3.074 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.371 9.416 -4.342 1.00 0.00 O ATOM 0 H GLU A 140 -7.072 6.210 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.589 5.062 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.693 5.827 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.197 5.450 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.280 7.369 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.351 7.543 -4.296 1.00 0.00 H new ATOM 948 N PHE A 141 -5.956 3.167 -2.759 1.00 0.00 N ATOM 949 CA PHE A 141 -5.698 1.785 -2.383 1.00 0.00 C ATOM 950 C PHE A 141 -6.810 0.902 -2.927 1.00 0.00 C ATOM 951 O PHE A 141 -6.556 -0.127 -3.550 1.00 0.00 O ATOM 952 CB PHE A 141 -5.615 1.661 -0.861 1.00 0.00 C ATOM 953 CG PHE A 141 -5.273 0.239 -0.476 1.00 0.00 C ATOM 954 CD1 PHE A 141 -4.047 -0.318 -0.866 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.176 -0.522 0.280 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.728 -1.631 -0.505 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.856 -1.832 0.640 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.633 -2.388 0.247 1.00 0.00 C ATOM 0 H PHE A 141 -6.123 3.803 -1.979 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.746 1.464 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.859 2.343 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.565 1.950 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.348 0.267 -1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.120 -0.094 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.784 -2.060 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.553 -2.417 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.388 -3.402 0.525 1.00 0.00 H new ATOM 968 N VAL A 142 -8.049 1.312 -2.688 1.00 0.00 N ATOM 969 CA VAL A 142 -9.187 0.545 -3.164 1.00 0.00 C ATOM 970 C VAL A 142 -9.107 0.422 -4.679 1.00 0.00 C ATOM 971 O VAL A 142 -9.254 -0.664 -5.237 1.00 0.00 O ATOM 972 CB VAL A 142 -10.493 1.248 -2.770 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.681 0.572 -3.461 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.682 1.181 -1.252 1.00 0.00 C ATOM 0 H VAL A 142 -8.287 2.160 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 142 -9.171 -0.447 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.440 2.291 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.604 1.077 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.555 0.631 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.731 -0.474 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.611 1.682 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.725 0.139 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.845 1.675 -0.759 1.00 0.00 H new ATOM 984 N LYS A 143 -8.856 1.543 -5.339 1.00 0.00 N ATOM 985 CA LYS A 143 -8.743 1.554 -6.786 1.00 0.00 C ATOM 986 C LYS A 143 -7.548 0.708 -7.219 1.00 0.00 C ATOM 987 O LYS A 143 -7.662 -0.145 -8.097 1.00 0.00 O ATOM 988 CB LYS A 143 -8.565 2.997 -7.248 1.00 0.00 C ATOM 989 CG LYS A 143 -8.684 3.073 -8.773 1.00 0.00 C ATOM 990 CD LYS A 143 -8.660 4.539 -9.213 1.00 0.00 C ATOM 991 CE LYS A 143 -8.795 4.621 -10.735 1.00 0.00 C ATOM 992 NZ LYS A 143 -7.556 4.095 -11.374 1.00 0.00 N ATOM 0 H LYS A 143 -8.727 2.453 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.642 1.133 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.319 3.633 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.592 3.372 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.864 2.528 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.609 2.599 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -9.473 5.086 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.730 5.009 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -9.660 4.045 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -8.964 5.654 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -7.526 4.392 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -6.723 4.469 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -7.553 3.056 -11.322 1.00 0.00 H new ATOM 1006 N MET A 144 -6.408 0.937 -6.579 1.00 0.00 N ATOM 1007 CA MET A 144 -5.202 0.171 -6.893 1.00 0.00 C ATOM 1008 C MET A 144 -5.432 -1.291 -6.569 1.00 0.00 C ATOM 1009 O MET A 144 -5.063 -2.185 -7.333 1.00 0.00 O ATOM 1010 CB MET A 144 -4.026 0.663 -6.049 1.00 0.00 C ATOM 1011 CG MET A 144 -2.724 -0.068 -6.429 1.00 0.00 C ATOM 1012 SD MET A 144 -1.412 0.391 -5.263 1.00 0.00 S ATOM 1013 CE MET A 144 -1.789 -0.826 -3.978 1.00 0.00 C ATOM 0 H MET A 144 -6.290 1.638 -5.847 1.00 0.00 H new ATOM 0 HA MET A 144 -4.978 0.300 -7.952 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.898 1.736 -6.189 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.241 0.503 -4.992 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.881 -1.146 -6.411 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.430 0.194 -7.445 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.033 -0.774 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.769 -0.613 -3.552 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.792 -1.825 -4.413 1.00 0.00 H new ATOM 1023 N MET A 145 -6.045 -1.520 -5.429 1.00 0.00 N ATOM 1024 CA MET A 145 -6.314 -2.878 -5.004 1.00 0.00 C ATOM 1025 C MET A 145 -7.248 -3.561 -5.993 1.00 0.00 C ATOM 1026 O MET A 145 -7.092 -4.742 -6.286 1.00 0.00 O ATOM 1027 CB MET A 145 -6.925 -2.900 -3.598 1.00 0.00 C ATOM 1028 CG MET A 145 -7.279 -4.352 -3.199 1.00 0.00 C ATOM 1029 SD MET A 145 -9.073 -4.596 -3.294 1.00 0.00 S ATOM 1030 CE MET A 145 -9.504 -3.758 -1.746 1.00 0.00 C ATOM 0 H MET A 145 -6.364 -0.795 -4.786 1.00 0.00 H new ATOM 0 HA MET A 145 -5.369 -3.421 -4.974 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.222 -2.478 -2.880 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.820 -2.278 -3.571 1.00 0.00 H new ATOM 0 HG2 MET A 145 -6.772 -5.054 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.928 -4.557 -2.187 1.00 0.00 H new ATOM 0 HE1 MET A 145 -9.842 -4.494 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 145 -8.628 -3.237 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 145 -10.301 -3.038 -1.932 1.00 0.00 H new ATOM 1040 N MET A 146 -8.211 -2.810 -6.509 1.00 0.00 N ATOM 1041 CA MET A 146 -9.147 -3.361 -7.475 1.00 0.00 C ATOM 1042 C MET A 146 -8.420 -3.722 -8.763 1.00 0.00 C ATOM 1043 O MET A 146 -8.698 -4.756 -9.372 1.00 0.00 O ATOM 1044 CB MET A 146 -10.256 -2.343 -7.769 1.00 0.00 C ATOM 1045 CG MET A 146 -11.306 -2.386 -6.653 1.00 0.00 C ATOM 1046 SD MET A 146 -12.463 -1.010 -6.855 1.00 0.00 S ATOM 1047 CE MET A 146 -13.669 -1.551 -5.618 1.00 0.00 C ATOM 0 H MET A 146 -8.363 -1.828 -6.277 1.00 0.00 H new ATOM 0 HA MET A 146 -9.593 -4.263 -7.057 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.833 -1.341 -7.845 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.722 -2.566 -8.729 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.844 -3.334 -6.682 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.819 -2.325 -5.680 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.489 -0.834 -5.572 1.00 0.00 H new ATOM 0 HE2 MET A 146 -14.059 -2.531 -5.894 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.187 -1.614 -4.643 1.00 0.00 H new ATOM 1057 N THR A 147 -7.494 -2.863 -9.178 1.00 0.00 N ATOM 1058 CA THR A 147 -6.743 -3.101 -10.403 1.00 0.00 C ATOM 1059 C THR A 147 -6.034 -4.448 -10.341 1.00 0.00 C ATOM 1060 O THR A 147 -5.625 -4.989 -11.369 1.00 0.00 O ATOM 1061 CB THR A 147 -5.709 -1.983 -10.608 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.352 -0.719 -10.507 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.061 -2.116 -11.989 1.00 0.00 C ATOM 0 H THR A 147 -7.248 -2.003 -8.688 1.00 0.00 H new ATOM 0 HA THR A 147 -7.440 -3.109 -11.241 1.00 0.00 H new ATOM 0 HB THR A 147 -4.938 -2.065 -9.842 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.634 -0.568 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.329 -1.320 -12.126 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.564 -3.083 -12.066 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.828 -2.040 -12.760 1.00 0.00 H new ATOM 1071 N VAL A 148 -5.897 -4.987 -9.135 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.225 -6.267 -8.956 1.00 0.00 C ATOM 1073 C VAL A 148 -5.894 -7.339 -9.810 1.00 0.00 C ATOM 1074 O VAL A 148 -5.218 -8.086 -10.519 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.263 -6.665 -7.475 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -4.602 -8.030 -7.280 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -4.513 -5.614 -6.648 1.00 0.00 C ATOM 0 H VAL A 148 -6.239 -4.561 -8.274 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.186 -6.173 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.301 -6.722 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.635 -8.303 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -5.135 -8.779 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.564 -7.982 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.538 -5.894 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.478 -5.558 -6.984 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -4.989 -4.642 -6.777 1.00 0.00 H new ATOM 1087 N ARG A 149 -7.215 -7.404 -9.765 1.00 0.00 N ATOM 1088 CA ARG A 149 -7.942 -8.388 -10.563 1.00 0.00 C ATOM 1089 C ARG A 149 -9.441 -8.109 -10.518 1.00 0.00 C ATOM 1090 O ARG A 149 -10.046 -8.054 -11.577 1.00 0.00 O ATOM 1091 CB ARG A 149 -7.664 -9.797 -10.037 1.00 0.00 C ATOM 1092 CG ARG A 149 -8.359 -10.831 -10.929 1.00 0.00 C ATOM 1093 CD ARG A 149 -7.970 -12.241 -10.482 1.00 0.00 C ATOM 1094 NE ARG A 149 -8.491 -12.509 -9.147 1.00 0.00 N ATOM 1095 CZ ARG A 149 -8.177 -13.628 -8.507 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -7.395 -14.501 -9.078 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -8.648 -13.854 -7.310 1.00 0.00 N ATOM 1098 OXT ARG A 149 -9.961 -7.953 -9.426 1.00 0.00 O ATOM 0 H ARG A 149 -7.803 -6.797 -9.193 1.00 0.00 H new ATOM 0 HA ARG A 149 -7.601 -8.315 -11.596 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -6.590 -9.983 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -8.021 -9.889 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -9.440 -10.706 -10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -8.075 -10.678 -11.970 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -8.361 -12.975 -11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -6.885 -12.344 -10.484 1.00 0.00 H new ATOM 0 HE ARG A 149 -9.104 -11.828 -8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -7.028 -14.322 -10.013 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -7.151 -15.363 -8.590 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -9.259 -13.169 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -8.405 -14.715 -6.820 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 1.315 5.598 6.934 1.00 0.00 CA HETATM 1114 CA CA A 234 -2.859 10.372 -2.230 1.00 0.00 CA