USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=14 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 Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= -1.08 (180deg=-3.11!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0378 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-5.4!) USER MOD Single : A 109 MET CE :methyl -173:sc= -0.343 (180deg=-0.349) USER MOD Single : A 111 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.5!) USER MOD Single : A 115 LYS NZ :NH3+ -164:sc= -4.55! (180deg=-5.35!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.241 F(o=-0.83,f=-0.24) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) 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=-2.1!) USER MOD Single : A 137 ASN : amide:sc= -3.95! C(o=-4!,f=-7.1!) USER MOD Single : A 138 TYR OH : rot 95:sc= 1.06 USER MOD Single : A 143 LYS NZ :NH3+ 159:sc= -0.0926 (180deg=-0.611) USER MOD Single : A 144 MET CE :methyl 156:sc= -0.229 (180deg=-1.39!) USER MOD Single : A 145 MET CE :methyl 162:sc= -0.083 (180deg=-1.03) USER MOD Single : A 146 MET CE :methyl 176:sc= 0 (180deg=-0.0111) USER MOD Single : A 147 THR OG1 : rot 69:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -19.137 -7.578 4.571 1.00 0.00 N ATOM 2 CA ASP A 80 -17.917 -7.805 5.396 1.00 0.00 C ATOM 3 C ASP A 80 -16.671 -7.370 4.622 1.00 0.00 C ATOM 4 O ASP A 80 -15.632 -7.092 5.214 1.00 0.00 O ATOM 5 CB ASP A 80 -17.817 -9.285 5.757 1.00 0.00 C ATOM 6 CG ASP A 80 -18.873 -9.643 6.798 1.00 0.00 C ATOM 7 OD1 ASP A 80 -19.436 -8.730 7.380 1.00 0.00 O ATOM 8 OD2 ASP A 80 -19.107 -10.824 6.994 1.00 0.00 O ATOM 0 HA ASP A 80 -17.985 -7.214 6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.954 -9.895 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.823 -9.506 6.145 1.00 0.00 H new ATOM 15 N ALA A 81 -16.775 -7.313 3.300 1.00 0.00 N ATOM 16 CA ALA A 81 -15.630 -6.912 2.491 1.00 0.00 C ATOM 17 C ALA A 81 -15.100 -5.561 2.969 1.00 0.00 C ATOM 18 O ALA A 81 -13.903 -5.391 3.184 1.00 0.00 O ATOM 19 CB ALA A 81 -16.031 -6.822 1.020 1.00 0.00 C ATOM 0 H ALA A 81 -17.620 -7.534 2.774 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.845 -7.660 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -15.168 -6.522 0.425 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -16.386 -7.795 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.826 -6.085 0.904 1.00 0.00 H new ATOM 25 N GLU A 82 -16.002 -4.602 3.146 1.00 0.00 N ATOM 26 CA GLU A 82 -15.603 -3.278 3.605 1.00 0.00 C ATOM 27 C GLU A 82 -14.979 -3.353 4.995 1.00 0.00 C ATOM 28 O GLU A 82 -14.139 -2.534 5.354 1.00 0.00 O ATOM 29 CB GLU A 82 -16.806 -2.341 3.619 1.00 0.00 C ATOM 30 CG GLU A 82 -16.339 -0.935 3.274 1.00 0.00 C ATOM 31 CD GLU A 82 -15.323 -0.452 4.302 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.565 -0.645 5.483 1.00 0.00 O ATOM 33 OE2 GLU A 82 -14.314 0.099 3.893 1.00 0.00 O ATOM 0 H GLU A 82 -17.002 -4.714 2.981 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.857 -2.886 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.554 -2.677 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.280 -2.351 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.894 -0.926 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -17.192 -0.257 3.248 1.00 0.00 H new ATOM 40 N GLU A 83 -15.384 -4.352 5.774 1.00 0.00 N ATOM 41 CA GLU A 83 -14.838 -4.504 7.115 1.00 0.00 C ATOM 42 C GLU A 83 -13.405 -5.013 7.014 1.00 0.00 C ATOM 43 O GLU A 83 -12.458 -4.300 7.337 1.00 0.00 O ATOM 44 CB GLU A 83 -15.688 -5.474 7.931 1.00 0.00 C ATOM 45 CG GLU A 83 -17.080 -4.878 8.146 1.00 0.00 C ATOM 46 CD GLU A 83 -17.949 -5.862 8.919 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.436 -6.899 9.305 1.00 0.00 O ATOM 48 OE2 GLU A 83 -19.115 -5.560 9.118 1.00 0.00 O ATOM 0 H GLU A 83 -16.074 -5.054 5.506 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.847 -3.538 7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.766 -6.430 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.213 -5.670 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.003 -3.939 8.694 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.540 -4.650 7.185 1.00 0.00 H new ATOM 55 N GLU A 84 -13.246 -6.253 6.560 1.00 0.00 N ATOM 56 CA GLU A 84 -11.916 -6.837 6.445 1.00 0.00 C ATOM 57 C GLU A 84 -10.957 -5.855 5.774 1.00 0.00 C ATOM 58 O GLU A 84 -9.824 -5.686 6.217 1.00 0.00 O ATOM 59 CB GLU A 84 -11.980 -8.136 5.639 1.00 0.00 C ATOM 60 CG GLU A 84 -12.824 -9.166 6.394 1.00 0.00 C ATOM 61 CD GLU A 84 -12.147 -9.536 7.709 1.00 0.00 C ATOM 62 OE1 GLU A 84 -10.949 -9.328 7.817 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.834 -10.031 8.588 1.00 0.00 O ATOM 0 H GLU A 84 -14.010 -6.864 6.270 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.547 -7.057 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.413 -7.946 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.975 -8.524 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.817 -8.761 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.958 -10.058 5.781 1.00 0.00 H new ATOM 70 N LEU A 85 -11.410 -5.197 4.707 1.00 0.00 N ATOM 71 CA LEU A 85 -10.556 -4.239 4.017 1.00 0.00 C ATOM 72 C LEU A 85 -10.165 -3.098 4.953 1.00 0.00 C ATOM 73 O LEU A 85 -9.003 -2.703 5.011 1.00 0.00 O ATOM 74 CB LEU A 85 -11.280 -3.679 2.790 1.00 0.00 C ATOM 75 CG LEU A 85 -10.255 -3.293 1.713 1.00 0.00 C ATOM 76 CD1 LEU A 85 -10.995 -2.790 0.470 1.00 0.00 C ATOM 77 CD2 LEU A 85 -9.312 -2.190 2.241 1.00 0.00 C ATOM 0 H LEU A 85 -12.343 -5.308 4.311 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.650 -4.753 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.974 -4.421 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.871 -2.808 3.071 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.658 -4.168 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.272 -2.515 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.645 -3.578 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.596 -1.919 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.591 -1.927 1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.896 -1.309 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.782 -2.555 3.121 1.00 0.00 H new ATOM 89 N LYS A 86 -11.134 -2.576 5.699 1.00 0.00 N ATOM 90 CA LYS A 86 -10.843 -1.496 6.634 1.00 0.00 C ATOM 91 C LYS A 86 -9.826 -1.951 7.678 1.00 0.00 C ATOM 92 O LYS A 86 -8.955 -1.184 8.082 1.00 0.00 O ATOM 93 CB LYS A 86 -12.127 -1.032 7.324 1.00 0.00 C ATOM 94 CG LYS A 86 -11.883 0.309 8.023 1.00 0.00 C ATOM 95 CD LYS A 86 -13.062 0.624 8.943 1.00 0.00 C ATOM 96 CE LYS A 86 -14.289 0.974 8.102 1.00 0.00 C ATOM 97 NZ LYS A 86 -15.311 1.632 8.964 1.00 0.00 N ATOM 0 H LYS A 86 -12.109 -2.876 5.676 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.420 -0.662 6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.928 -0.931 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.451 -1.778 8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.959 0.268 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.763 1.101 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.278 -0.233 9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.811 1.456 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.006 1.637 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.704 0.072 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.146 1.870 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.589 0.985 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.912 2.501 9.373 1.00 0.00 H new ATOM 111 N GLU A 87 -9.927 -3.210 8.106 1.00 0.00 N ATOM 112 CA GLU A 87 -8.997 -3.732 9.091 1.00 0.00 C ATOM 113 C GLU A 87 -7.603 -3.859 8.486 1.00 0.00 C ATOM 114 O GLU A 87 -6.620 -3.381 9.050 1.00 0.00 O ATOM 115 CB GLU A 87 -9.477 -5.095 9.581 1.00 0.00 C ATOM 116 CG GLU A 87 -8.814 -5.416 10.916 1.00 0.00 C ATOM 117 CD GLU A 87 -7.310 -5.600 10.732 1.00 0.00 C ATOM 118 OE1 GLU A 87 -6.918 -6.129 9.704 1.00 0.00 O ATOM 119 OE2 GLU A 87 -6.574 -5.205 11.619 1.00 0.00 O ATOM 0 H GLU A 87 -10.634 -3.873 7.788 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.951 -3.042 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.561 -5.092 9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.234 -5.864 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.004 -4.612 11.627 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.249 -6.323 11.337 1.00 0.00 H new ATOM 126 N ALA A 88 -7.517 -4.504 7.323 1.00 0.00 N ATOM 127 CA ALA A 88 -6.232 -4.667 6.665 1.00 0.00 C ATOM 128 C ALA A 88 -5.542 -3.310 6.514 1.00 0.00 C ATOM 129 O ALA A 88 -4.365 -3.151 6.837 1.00 0.00 O ATOM 130 CB ALA A 88 -6.422 -5.312 5.292 1.00 0.00 C ATOM 0 H ALA A 88 -8.309 -4.914 6.828 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.605 -5.316 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.453 -5.429 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.889 -6.290 5.411 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.060 -4.677 4.677 1.00 0.00 H new ATOM 136 N PHE A 89 -6.293 -2.319 6.048 1.00 0.00 N ATOM 137 CA PHE A 89 -5.748 -0.979 5.892 1.00 0.00 C ATOM 138 C PHE A 89 -5.185 -0.486 7.223 1.00 0.00 C ATOM 139 O PHE A 89 -4.115 0.112 7.272 1.00 0.00 O ATOM 140 CB PHE A 89 -6.829 -0.022 5.395 1.00 0.00 C ATOM 141 CG PHE A 89 -6.248 1.366 5.233 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.173 2.228 6.332 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.774 1.785 3.985 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.621 3.504 6.186 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.227 3.063 3.836 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.150 3.924 4.938 1.00 0.00 C ATOM 0 H PHE A 89 -7.271 -2.417 5.775 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.944 -1.011 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.229 -0.372 4.443 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.660 0.001 6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.542 1.907 7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.831 1.120 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.558 4.166 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.864 3.386 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.727 4.911 4.824 1.00 0.00 H new ATOM 156 N LYS A 90 -5.917 -0.740 8.308 1.00 0.00 N ATOM 157 CA LYS A 90 -5.471 -0.313 9.628 1.00 0.00 C ATOM 158 C LYS A 90 -4.135 -0.970 9.980 1.00 0.00 C ATOM 159 O LYS A 90 -3.309 -0.383 10.673 1.00 0.00 O ATOM 160 CB LYS A 90 -6.525 -0.671 10.677 1.00 0.00 C ATOM 161 CG LYS A 90 -6.129 -0.081 12.031 1.00 0.00 C ATOM 162 CD LYS A 90 -7.173 -0.473 13.080 1.00 0.00 C ATOM 163 CE LYS A 90 -8.511 0.185 12.741 1.00 0.00 C ATOM 164 NZ LYS A 90 -9.310 -0.731 11.878 1.00 0.00 N ATOM 0 H LYS A 90 -6.810 -1.233 8.297 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.333 0.768 9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.499 -0.287 10.373 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.620 -1.754 10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.145 -0.447 12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.058 1.004 11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.286 -1.557 13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.843 -0.161 14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.059 0.411 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.343 1.132 12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.526 -0.259 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.765 -1.597 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.198 -0.977 12.361 1.00 0.00 H new ATOM 178 N VAL A 91 -3.918 -2.192 9.491 1.00 0.00 N ATOM 179 CA VAL A 91 -2.669 -2.894 9.773 1.00 0.00 C ATOM 180 C VAL A 91 -1.504 -2.232 9.034 1.00 0.00 C ATOM 181 O VAL A 91 -0.447 -1.990 9.610 1.00 0.00 O ATOM 182 CB VAL A 91 -2.785 -4.364 9.375 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.451 -5.072 9.630 1.00 0.00 C ATOM 184 CG2 VAL A 91 -3.881 -5.026 10.212 1.00 0.00 C ATOM 0 H VAL A 91 -4.578 -2.707 8.909 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.475 -2.838 10.844 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.035 -4.437 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.536 -6.121 9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.668 -4.597 9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.199 -5.002 10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.968 -6.076 9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.626 -4.952 11.269 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.831 -4.522 10.032 1.00 0.00 H new ATOM 194 N PHE A 92 -1.705 -1.935 7.753 1.00 0.00 N ATOM 195 CA PHE A 92 -0.648 -1.306 6.964 1.00 0.00 C ATOM 196 C PHE A 92 -0.353 0.092 7.494 1.00 0.00 C ATOM 197 O PHE A 92 0.784 0.555 7.454 1.00 0.00 O ATOM 198 CB PHE A 92 -1.048 -1.199 5.490 1.00 0.00 C ATOM 199 CG PHE A 92 -1.739 -2.466 5.047 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.296 -3.709 5.512 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.819 -2.397 4.163 1.00 0.00 C ATOM 202 CE1 PHE A 92 -1.933 -4.877 5.092 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.457 -3.565 3.745 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.016 -4.806 4.208 1.00 0.00 C ATOM 0 H PHE A 92 -2.572 -2.115 7.246 1.00 0.00 H new ATOM 0 HA PHE A 92 0.241 -1.932 7.048 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.710 -0.345 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.164 -1.024 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.462 -3.764 6.195 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.160 -1.438 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.590 -5.837 5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.292 -3.509 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.510 -5.710 3.884 1.00 0.00 H new ATOM 214 N ASP A 93 -1.387 0.768 7.981 1.00 0.00 N ATOM 215 CA ASP A 93 -1.208 2.112 8.502 1.00 0.00 C ATOM 216 C ASP A 93 -0.411 2.093 9.809 1.00 0.00 C ATOM 217 O ASP A 93 -0.899 2.540 10.844 1.00 0.00 O ATOM 218 CB ASP A 93 -2.576 2.765 8.744 1.00 0.00 C ATOM 219 CG ASP A 93 -2.435 4.279 8.836 1.00 0.00 C ATOM 220 OD1 ASP A 93 -1.323 4.760 8.701 1.00 0.00 O ATOM 221 OD2 ASP A 93 -3.442 4.935 9.029 1.00 0.00 O ATOM 0 H ASP A 93 -2.342 0.413 8.025 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.651 2.690 7.765 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.258 2.506 7.934 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.013 2.378 9.665 1.00 0.00 H new ATOM 226 N LYS A 94 0.809 1.571 9.760 1.00 0.00 N ATOM 227 CA LYS A 94 1.629 1.497 10.966 1.00 0.00 C ATOM 228 C LYS A 94 1.673 2.860 11.655 1.00 0.00 C ATOM 229 O LYS A 94 1.471 2.962 12.861 1.00 0.00 O ATOM 230 CB LYS A 94 3.049 1.051 10.608 1.00 0.00 C ATOM 231 CG LYS A 94 3.729 0.440 11.836 1.00 0.00 C ATOM 232 CD LYS A 94 5.083 -0.144 11.429 1.00 0.00 C ATOM 233 CE LYS A 94 6.110 0.983 11.306 1.00 0.00 C ATOM 234 NZ LYS A 94 7.474 0.400 11.165 1.00 0.00 N ATOM 0 H LYS A 94 1.247 1.199 8.917 1.00 0.00 H new ATOM 0 HA LYS A 94 1.188 0.769 11.647 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.017 0.322 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.627 1.902 10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.865 1.200 12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.099 -0.339 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.414 -0.872 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.992 -0.673 10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.879 1.607 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.067 1.626 12.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.172 1.166 11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.693 -0.178 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.510 -0.196 10.313 1.00 0.00 H new ATOM 248 N ASP A 95 1.929 3.911 10.885 1.00 0.00 N ATOM 249 CA ASP A 95 1.993 5.255 11.447 1.00 0.00 C ATOM 250 C ASP A 95 0.606 5.704 11.889 1.00 0.00 C ATOM 251 O ASP A 95 0.447 6.742 12.525 1.00 0.00 O ATOM 252 CB ASP A 95 2.535 6.237 10.405 1.00 0.00 C ATOM 253 CG ASP A 95 3.672 5.592 9.626 1.00 0.00 C ATOM 254 OD1 ASP A 95 4.657 5.225 10.243 1.00 0.00 O ATOM 255 OD2 ASP A 95 3.538 5.472 8.417 1.00 0.00 O ATOM 0 H ASP A 95 2.094 3.860 9.880 1.00 0.00 H new ATOM 0 HA ASP A 95 2.660 5.239 12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.738 6.534 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.888 7.144 10.896 1.00 0.00 H new ATOM 260 N GLN A 96 -0.404 4.919 11.540 1.00 0.00 N ATOM 261 CA GLN A 96 -1.773 5.264 11.906 1.00 0.00 C ATOM 262 C GLN A 96 -2.075 6.716 11.509 1.00 0.00 C ATOM 263 O GLN A 96 -2.821 7.416 12.185 1.00 0.00 O ATOM 264 CB GLN A 96 -1.967 5.105 13.420 1.00 0.00 C ATOM 265 CG GLN A 96 -3.457 4.950 13.749 1.00 0.00 C ATOM 266 CD GLN A 96 -3.956 3.591 13.275 1.00 0.00 C ATOM 267 OE1 GLN A 96 -3.236 2.601 13.369 1.00 0.00 O ATOM 268 NE2 GLN A 96 -5.155 3.488 12.769 1.00 0.00 N ATOM 0 H GLN A 96 -0.306 4.052 11.012 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.453 4.595 11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.416 4.234 13.775 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.561 5.973 13.939 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.613 5.050 14.823 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.029 5.744 13.269 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.749 4.314 12.693 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.498 2.582 12.450 1.00 0.00 H new ATOM 277 N ASN A 97 -1.478 7.177 10.415 1.00 0.00 N ATOM 278 CA ASN A 97 -1.693 8.554 9.976 1.00 0.00 C ATOM 279 C ASN A 97 -2.827 8.641 8.959 1.00 0.00 C ATOM 280 O ASN A 97 -3.054 9.687 8.361 1.00 0.00 O ATOM 281 CB ASN A 97 -0.415 9.107 9.351 1.00 0.00 C ATOM 282 CG ASN A 97 -0.042 8.272 8.133 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.477 7.131 8.011 1.00 0.00 O ATOM 284 ND2 ASN A 97 0.740 8.772 7.218 1.00 0.00 N ATOM 0 H ASN A 97 -0.852 6.630 9.824 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.965 9.144 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.560 10.148 9.061 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.396 9.089 10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.990 8.215 6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.102 9.720 7.319 1.00 0.00 H new ATOM 291 N GLY A 98 -3.546 7.538 8.763 1.00 0.00 N ATOM 292 CA GLY A 98 -4.657 7.523 7.815 1.00 0.00 C ATOM 293 C GLY A 98 -4.162 7.340 6.385 1.00 0.00 C ATOM 294 O GLY A 98 -4.956 7.154 5.469 1.00 0.00 O ATOM 0 H GLY A 98 -3.382 6.653 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.345 6.717 8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.216 8.455 7.892 1.00 0.00 H new ATOM 298 N TYR A 99 -2.842 7.389 6.197 1.00 0.00 N ATOM 299 CA TYR A 99 -2.247 7.227 4.863 1.00 0.00 C ATOM 300 C TYR A 99 -1.157 6.163 4.896 1.00 0.00 C ATOM 301 O TYR A 99 -0.319 6.170 5.789 1.00 0.00 O ATOM 302 CB TYR A 99 -1.645 8.557 4.406 1.00 0.00 C ATOM 303 CG TYR A 99 -2.752 9.493 3.991 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.551 10.107 4.963 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.987 9.741 2.635 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.583 10.969 4.578 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.019 10.602 2.249 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.818 11.217 3.219 1.00 0.00 C ATOM 309 OH TYR A 99 -5.835 12.069 2.839 1.00 0.00 O ATOM 0 H TYR A 99 -2.165 7.539 6.945 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.025 6.916 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.062 9.001 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.962 8.392 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.370 9.915 6.010 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.371 9.267 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.199 11.443 5.328 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.199 10.792 1.201 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.861 12.131 1.861 1.00 0.00 H new ATOM 319 N ILE A 100 -1.153 5.252 3.923 1.00 0.00 N ATOM 320 CA ILE A 100 -0.114 4.224 3.890 1.00 0.00 C ATOM 321 C ILE A 100 1.129 4.793 3.203 1.00 0.00 C ATOM 322 O ILE A 100 1.051 5.294 2.077 1.00 0.00 O ATOM 323 CB ILE A 100 -0.589 2.980 3.138 1.00 0.00 C ATOM 324 CG1 ILE A 100 -1.952 2.522 3.681 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.443 1.864 3.319 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.464 1.347 2.843 1.00 0.00 C ATOM 0 H ILE A 100 -1.837 5.204 3.167 1.00 0.00 H new ATOM 0 HA ILE A 100 0.119 3.932 4.914 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.697 3.215 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.859 2.225 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.665 3.346 3.647 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.112 0.973 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.404 2.189 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.548 1.634 4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.431 1.021 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.573 1.661 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.754 0.522 2.900 1.00 0.00 H new ATOM 338 N SER A 101 2.273 4.716 3.881 1.00 0.00 N ATOM 339 CA SER A 101 3.528 5.248 3.327 1.00 0.00 C ATOM 340 C SER A 101 4.208 4.203 2.448 1.00 0.00 C ATOM 341 O SER A 101 3.978 3.006 2.612 1.00 0.00 O ATOM 342 CB SER A 101 4.469 5.645 4.468 1.00 0.00 C ATOM 343 OG SER A 101 5.759 5.932 3.942 1.00 0.00 O ATOM 0 H SER A 101 2.362 4.296 4.806 1.00 0.00 H new ATOM 0 HA SER A 101 3.297 6.124 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.076 6.517 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.534 4.838 5.198 1.00 0.00 H new ATOM 0 HG SER A 101 6.361 6.188 4.672 1.00 0.00 H new ATOM 349 N ALA A 102 5.041 4.650 1.513 1.00 0.00 N ATOM 350 CA ALA A 102 5.730 3.710 0.632 1.00 0.00 C ATOM 351 C ALA A 102 6.457 2.649 1.460 1.00 0.00 C ATOM 352 O ALA A 102 6.410 1.463 1.145 1.00 0.00 O ATOM 353 CB ALA A 102 6.733 4.455 -0.249 1.00 0.00 C ATOM 0 H ALA A 102 5.253 5.634 1.347 1.00 0.00 H new ATOM 0 HA ALA A 102 4.992 3.221 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.241 3.745 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.207 5.193 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.467 4.958 0.381 1.00 0.00 H new ATOM 359 N SER A 103 7.126 3.080 2.532 1.00 0.00 N ATOM 360 CA SER A 103 7.840 2.142 3.392 1.00 0.00 C ATOM 361 C SER A 103 6.873 1.094 3.962 1.00 0.00 C ATOM 362 O SER A 103 7.218 -0.075 4.099 1.00 0.00 O ATOM 363 CB SER A 103 8.530 2.891 4.528 1.00 0.00 C ATOM 364 OG SER A 103 9.440 3.838 3.984 1.00 0.00 O ATOM 0 H SER A 103 7.187 4.057 2.820 1.00 0.00 H new ATOM 0 HA SER A 103 8.595 1.631 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.789 3.396 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.060 2.189 5.172 1.00 0.00 H new ATOM 0 HG SER A 103 9.883 4.322 4.712 1.00 0.00 H new ATOM 370 N GLU A 104 5.661 1.516 4.313 1.00 0.00 N ATOM 371 CA GLU A 104 4.694 0.594 4.860 1.00 0.00 C ATOM 372 C GLU A 104 4.228 -0.390 3.776 1.00 0.00 C ATOM 373 O GLU A 104 4.040 -1.571 4.040 1.00 0.00 O ATOM 374 CB GLU A 104 3.503 1.364 5.419 1.00 0.00 C ATOM 375 CG GLU A 104 3.900 2.088 6.704 1.00 0.00 C ATOM 376 CD GLU A 104 2.660 2.717 7.325 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.611 2.665 6.705 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.774 3.238 8.422 1.00 0.00 O ATOM 0 H GLU A 104 5.336 2.479 4.227 1.00 0.00 H new ATOM 0 HA GLU A 104 5.160 0.028 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.148 2.084 4.682 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.679 0.679 5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.357 1.389 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.643 2.856 6.489 1.00 0.00 H new ATOM 385 N LEU A 105 4.052 0.102 2.551 1.00 0.00 N ATOM 386 CA LEU A 105 3.628 -0.766 1.457 1.00 0.00 C ATOM 387 C LEU A 105 4.683 -1.849 1.198 1.00 0.00 C ATOM 388 O LEU A 105 4.363 -3.019 0.998 1.00 0.00 O ATOM 389 CB LEU A 105 3.416 0.074 0.181 1.00 0.00 C ATOM 390 CG LEU A 105 3.106 -0.829 -1.032 1.00 0.00 C ATOM 391 CD1 LEU A 105 1.937 -1.767 -0.713 1.00 0.00 C ATOM 392 CD2 LEU A 105 2.754 0.033 -2.265 1.00 0.00 C ATOM 0 H LEU A 105 4.194 1.079 2.295 1.00 0.00 H new ATOM 0 HA LEU A 105 2.690 -1.249 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.596 0.775 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.308 0.666 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 105 3.992 -1.424 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.730 -2.398 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.196 -2.394 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.052 -1.177 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.538 -0.616 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.879 0.644 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.597 0.680 -2.509 1.00 0.00 H new ATOM 404 N ARG A 106 5.950 -1.452 1.214 1.00 0.00 N ATOM 405 CA ARG A 106 7.026 -2.413 1.003 1.00 0.00 C ATOM 406 C ARG A 106 6.949 -3.530 2.041 1.00 0.00 C ATOM 407 O ARG A 106 7.044 -4.711 1.710 1.00 0.00 O ATOM 408 CB ARG A 106 8.381 -1.708 1.062 1.00 0.00 C ATOM 409 CG ARG A 106 8.496 -0.745 -0.114 1.00 0.00 C ATOM 410 CD ARG A 106 9.784 0.059 -0.016 1.00 0.00 C ATOM 411 NE ARG A 106 10.934 -0.820 -0.178 1.00 0.00 N ATOM 412 CZ ARG A 106 12.164 -0.371 0.024 1.00 0.00 C ATOM 413 NH1 ARG A 106 12.342 0.865 0.394 1.00 0.00 N ATOM 414 NH2 ARG A 106 13.190 -1.161 -0.142 1.00 0.00 N ATOM 0 H ARG A 106 6.254 -0.491 1.368 1.00 0.00 H new ATOM 0 HA ARG A 106 6.914 -2.858 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.482 -1.166 2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.187 -2.441 1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.477 -1.301 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.639 -0.071 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.798 0.834 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.835 0.564 0.949 1.00 0.00 H new ATOM 0 HE ARG A 106 10.791 -1.793 -0.450 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.538 1.479 0.526 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.285 1.219 0.552 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.047 -2.129 -0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.135 -0.810 0.015 1.00 0.00 H new ATOM 428 N HIS A 107 6.766 -3.154 3.307 1.00 0.00 N ATOM 429 CA HIS A 107 6.671 -4.147 4.368 1.00 0.00 C ATOM 430 C HIS A 107 5.552 -5.129 4.052 1.00 0.00 C ATOM 431 O HIS A 107 5.700 -6.333 4.237 1.00 0.00 O ATOM 432 CB HIS A 107 6.406 -3.463 5.709 1.00 0.00 C ATOM 433 CG HIS A 107 7.438 -2.393 5.939 1.00 0.00 C ATOM 434 ND1 HIS A 107 7.110 -1.152 6.459 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.793 -2.365 5.724 1.00 0.00 C ATOM 436 CE1 HIS A 107 8.247 -0.434 6.542 1.00 0.00 C ATOM 437 NE2 HIS A 107 9.302 -1.128 6.106 1.00 0.00 N ATOM 0 H HIS A 107 6.682 -2.185 3.616 1.00 0.00 H new ATOM 0 HA HIS A 107 7.615 -4.689 4.434 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.407 -3.027 5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 107 6.440 -4.195 6.516 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.376 -3.179 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.299 0.578 6.915 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.273 -0.817 6.063 1.00 0.00 H new ATOM 446 N VAL A 108 4.438 -4.610 3.549 1.00 0.00 N ATOM 447 CA VAL A 108 3.313 -5.464 3.198 1.00 0.00 C ATOM 448 C VAL A 108 3.721 -6.451 2.105 1.00 0.00 C ATOM 449 O VAL A 108 3.452 -7.644 2.201 1.00 0.00 O ATOM 450 CB VAL A 108 2.130 -4.617 2.724 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.002 -5.530 2.234 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.619 -3.761 3.887 1.00 0.00 C ATOM 0 H VAL A 108 4.291 -3.615 3.377 1.00 0.00 H new ATOM 0 HA VAL A 108 3.011 -6.023 4.084 1.00 0.00 H new ATOM 0 HB VAL A 108 2.454 -3.973 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.162 -4.922 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.362 -6.141 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.678 -6.177 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.776 -3.157 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.299 -4.409 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.418 -3.107 4.236 1.00 0.00 H new ATOM 462 N MET A 109 4.372 -5.948 1.062 1.00 0.00 N ATOM 463 CA MET A 109 4.799 -6.814 -0.031 1.00 0.00 C ATOM 464 C MET A 109 5.728 -7.906 0.496 1.00 0.00 C ATOM 465 O MET A 109 5.590 -9.072 0.134 1.00 0.00 O ATOM 466 CB MET A 109 5.523 -5.984 -1.096 1.00 0.00 C ATOM 467 CG MET A 109 4.504 -5.398 -2.076 1.00 0.00 C ATOM 468 SD MET A 109 3.034 -4.851 -1.175 1.00 0.00 S ATOM 469 CE MET A 109 1.889 -4.881 -2.576 1.00 0.00 C ATOM 0 H MET A 109 4.612 -4.963 0.950 1.00 0.00 H new ATOM 0 HA MET A 109 3.921 -7.283 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.089 -5.182 -0.623 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.240 -6.607 -1.631 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.945 -4.559 -2.615 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.229 -6.146 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.932 -4.455 -2.273 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.303 -4.296 -3.397 1.00 0.00 H new ATOM 0 HE3 MET A 109 1.741 -5.910 -2.903 1.00 0.00 H new ATOM 479 N ILE A 110 6.668 -7.532 1.361 1.00 0.00 N ATOM 480 CA ILE A 110 7.583 -8.515 1.928 1.00 0.00 C ATOM 481 C ILE A 110 6.803 -9.542 2.751 1.00 0.00 C ATOM 482 O ILE A 110 7.054 -10.741 2.669 1.00 0.00 O ATOM 483 CB ILE A 110 8.620 -7.819 2.808 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.548 -6.977 1.927 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.452 -8.868 3.553 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.393 -6.062 2.811 1.00 0.00 C ATOM 0 H ILE A 110 6.814 -6.574 1.679 1.00 0.00 H new ATOM 0 HA ILE A 110 8.097 -9.029 1.116 1.00 0.00 H new ATOM 0 HB ILE A 110 8.111 -7.179 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.193 -7.626 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 110 8.962 -6.383 1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.191 -8.368 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.797 -9.475 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.961 -9.508 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.054 -5.462 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 110 9.739 -5.404 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.989 -6.666 3.495 1.00 0.00 H new ATOM 498 N ASN A 111 5.842 -9.062 3.537 1.00 0.00 N ATOM 499 CA ASN A 111 5.045 -9.955 4.369 1.00 0.00 C ATOM 500 C ASN A 111 4.233 -10.899 3.489 1.00 0.00 C ATOM 501 O ASN A 111 4.057 -12.071 3.810 1.00 0.00 O ATOM 502 CB ASN A 111 4.113 -9.150 5.274 1.00 0.00 C ATOM 503 CG ASN A 111 3.201 -10.090 6.065 1.00 0.00 C ATOM 504 OD1 ASN A 111 2.571 -10.973 5.487 1.00 0.00 O ATOM 505 ND2 ASN A 111 3.100 -9.954 7.361 1.00 0.00 N ATOM 0 H ASN A 111 5.600 -8.074 3.614 1.00 0.00 H new ATOM 0 HA ASN A 111 5.717 -10.542 4.996 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.699 -8.538 5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.511 -8.468 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.498 -10.581 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.624 -9.221 7.839 1.00 0.00 H new ATOM 512 N LEU A 112 3.753 -10.384 2.365 1.00 0.00 N ATOM 513 CA LEU A 112 2.965 -11.197 1.446 1.00 0.00 C ATOM 514 C LEU A 112 3.831 -12.257 0.772 1.00 0.00 C ATOM 515 O LEU A 112 3.331 -13.103 0.035 1.00 0.00 O ATOM 516 CB LEU A 112 2.313 -10.309 0.372 1.00 0.00 C ATOM 517 CG LEU A 112 0.851 -10.017 0.728 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.006 -11.279 0.545 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.768 -9.555 2.184 1.00 0.00 C ATOM 0 H LEU A 112 3.893 -9.418 2.069 1.00 0.00 H new ATOM 0 HA LEU A 112 2.188 -11.697 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.865 -9.373 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.365 -10.804 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 112 0.471 -9.235 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -1.031 -11.062 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.063 -11.608 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.383 -12.067 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.271 -9.346 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.153 -10.338 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.362 -8.651 2.313 1.00 0.00 H new ATOM 531 N GLY A 113 5.125 -12.209 1.019 1.00 0.00 N ATOM 532 CA GLY A 113 6.036 -13.180 0.420 1.00 0.00 C ATOM 533 C GLY A 113 6.462 -12.738 -0.977 1.00 0.00 C ATOM 534 O GLY A 113 6.983 -13.532 -1.756 1.00 0.00 O ATOM 0 H GLY A 113 5.571 -11.518 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.916 -13.297 1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.550 -14.154 0.365 1.00 0.00 H new ATOM 538 N GLU A 114 6.237 -11.459 -1.290 1.00 0.00 N ATOM 539 CA GLU A 114 6.606 -10.908 -2.599 1.00 0.00 C ATOM 540 C GLU A 114 7.561 -9.732 -2.408 1.00 0.00 C ATOM 541 O GLU A 114 7.377 -8.924 -1.504 1.00 0.00 O ATOM 542 CB GLU A 114 5.354 -10.427 -3.336 1.00 0.00 C ATOM 543 CG GLU A 114 4.567 -9.455 -2.451 1.00 0.00 C ATOM 544 CD GLU A 114 3.309 -8.999 -3.181 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.177 -9.319 -4.352 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.498 -8.331 -2.561 1.00 0.00 O ATOM 0 H GLU A 114 5.803 -10.787 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 114 7.093 -11.686 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.636 -9.937 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.728 -11.279 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.299 -9.939 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.186 -8.594 -2.200 1.00 0.00 H new ATOM 553 N LYS A 115 8.585 -9.635 -3.255 1.00 0.00 N ATOM 554 CA LYS A 115 9.560 -8.544 -3.147 1.00 0.00 C ATOM 555 C LYS A 115 9.763 -7.889 -4.512 1.00 0.00 C ATOM 556 O LYS A 115 10.277 -8.511 -5.439 1.00 0.00 O ATOM 557 CB LYS A 115 10.900 -9.090 -2.636 1.00 0.00 C ATOM 558 CG LYS A 115 11.119 -8.626 -1.194 1.00 0.00 C ATOM 559 CD LYS A 115 12.392 -9.258 -0.639 1.00 0.00 C ATOM 560 CE LYS A 115 12.641 -8.737 0.776 1.00 0.00 C ATOM 561 NZ LYS A 115 11.748 -9.451 1.731 1.00 0.00 N ATOM 0 H LYS A 115 8.763 -10.290 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 115 9.182 -7.801 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.904 -10.179 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.714 -8.740 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.196 -7.539 -1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.264 -8.905 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.297 -10.344 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.240 -9.019 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.684 -8.890 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.453 -7.664 0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.712 -8.929 2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 10.791 -9.515 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.117 -10.408 1.902 1.00 0.00 H new ATOM 575 N LEU A 116 9.354 -6.630 -4.640 1.00 0.00 N ATOM 576 CA LEU A 116 9.508 -5.912 -5.907 1.00 0.00 C ATOM 577 C LEU A 116 10.602 -4.855 -5.772 1.00 0.00 C ATOM 578 O LEU A 116 10.882 -4.387 -4.668 1.00 0.00 O ATOM 579 CB LEU A 116 8.182 -5.239 -6.287 1.00 0.00 C ATOM 580 CG LEU A 116 7.039 -6.258 -6.209 1.00 0.00 C ATOM 581 CD1 LEU A 116 5.705 -5.565 -6.515 1.00 0.00 C ATOM 582 CD2 LEU A 116 7.278 -7.367 -7.234 1.00 0.00 C ATOM 0 H LEU A 116 8.918 -6.089 -3.893 1.00 0.00 H new ATOM 0 HA LEU A 116 9.787 -6.620 -6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.983 -4.404 -5.616 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.248 -4.829 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 116 7.004 -6.684 -5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.896 -6.293 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.532 -4.772 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.739 -5.137 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.467 -8.093 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.314 -6.936 -8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.224 -7.864 -7.019 1.00 0.00 H new ATOM 594 N THR A 117 11.223 -4.476 -6.885 1.00 0.00 N ATOM 595 CA THR A 117 12.286 -3.477 -6.825 1.00 0.00 C ATOM 596 C THR A 117 11.694 -2.122 -6.438 1.00 0.00 C ATOM 597 O THR A 117 10.480 -1.937 -6.498 1.00 0.00 O ATOM 598 CB THR A 117 12.983 -3.367 -8.183 1.00 0.00 C ATOM 599 OG1 THR A 117 12.044 -2.929 -9.154 1.00 0.00 O ATOM 600 CG2 THR A 117 13.536 -4.735 -8.588 1.00 0.00 C ATOM 0 H THR A 117 11.016 -4.834 -7.817 1.00 0.00 H new ATOM 0 HA THR A 117 13.018 -3.781 -6.076 1.00 0.00 H new ATOM 0 HB THR A 117 13.804 -2.653 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.485 -2.855 -10.026 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.032 -4.655 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.252 -5.074 -7.840 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.718 -5.452 -8.658 1.00 0.00 H new ATOM 608 N ASP A 118 12.541 -1.173 -6.042 1.00 0.00 N ATOM 609 CA ASP A 118 12.043 0.145 -5.653 1.00 0.00 C ATOM 610 C ASP A 118 11.354 0.833 -6.829 1.00 0.00 C ATOM 611 O ASP A 118 10.317 1.474 -6.665 1.00 0.00 O ATOM 612 CB ASP A 118 13.193 1.012 -5.142 1.00 0.00 C ATOM 613 CG ASP A 118 12.642 2.269 -4.478 1.00 0.00 C ATOM 614 OD1 ASP A 118 11.626 2.166 -3.809 1.00 0.00 O ATOM 615 OD2 ASP A 118 13.244 3.317 -4.647 1.00 0.00 O ATOM 0 H ASP A 118 13.553 -1.287 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 118 11.313 0.013 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.796 0.449 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 118 13.849 1.285 -5.969 1.00 0.00 H new ATOM 620 N GLU A 119 11.928 0.687 -8.022 1.00 0.00 N ATOM 621 CA GLU A 119 11.348 1.302 -9.206 1.00 0.00 C ATOM 622 C GLU A 119 9.908 0.831 -9.406 1.00 0.00 C ATOM 623 O GLU A 119 9.046 1.602 -9.814 1.00 0.00 O ATOM 624 CB GLU A 119 12.179 0.967 -10.439 1.00 0.00 C ATOM 625 CG GLU A 119 13.569 1.589 -10.301 1.00 0.00 C ATOM 626 CD GLU A 119 14.423 1.248 -11.518 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.924 0.569 -12.400 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.566 1.673 -11.548 1.00 0.00 O ATOM 0 H GLU A 119 12.782 0.155 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 119 11.346 2.383 -9.063 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.262 -0.114 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.687 1.344 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.483 2.671 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.051 1.222 -9.395 1.00 0.00 H new ATOM 635 N GLU A 120 9.636 -0.437 -9.096 1.00 0.00 N ATOM 636 CA GLU A 120 8.294 -0.960 -9.242 1.00 0.00 C ATOM 637 C GLU A 120 7.381 -0.375 -8.169 1.00 0.00 C ATOM 638 O GLU A 120 6.284 0.090 -8.463 1.00 0.00 O ATOM 639 CB GLU A 120 8.321 -2.491 -9.145 1.00 0.00 C ATOM 640 CG GLU A 120 9.094 -3.070 -10.327 1.00 0.00 C ATOM 641 CD GLU A 120 8.346 -2.798 -11.628 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.153 -2.552 -11.559 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.976 -2.832 -12.672 1.00 0.00 O ATOM 0 H GLU A 120 10.322 -1.106 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 120 7.904 -0.675 -10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.787 -2.797 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.304 -2.882 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.089 -2.628 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.228 -4.143 -10.193 1.00 0.00 H new ATOM 650 N VAL A 121 7.844 -0.397 -6.923 1.00 0.00 N ATOM 651 CA VAL A 121 7.049 0.137 -5.827 1.00 0.00 C ATOM 652 C VAL A 121 6.828 1.636 -6.022 1.00 0.00 C ATOM 653 O VAL A 121 5.710 2.130 -5.897 1.00 0.00 O ATOM 654 CB VAL A 121 7.741 -0.127 -4.486 1.00 0.00 C ATOM 655 CG1 VAL A 121 7.001 0.608 -3.366 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.734 -1.631 -4.197 1.00 0.00 C ATOM 0 H VAL A 121 8.752 -0.773 -6.651 1.00 0.00 H new ATOM 0 HA VAL A 121 6.081 -0.364 -5.821 1.00 0.00 H new ATOM 0 HB VAL A 121 8.769 0.233 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.498 0.416 -2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.006 1.679 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.972 0.253 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.226 -1.820 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.705 -1.988 -4.152 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.266 -2.156 -4.990 1.00 0.00 H new ATOM 666 N GLU A 122 7.901 2.359 -6.337 1.00 0.00 N ATOM 667 CA GLU A 122 7.792 3.797 -6.540 1.00 0.00 C ATOM 668 C GLU A 122 6.877 4.097 -7.722 1.00 0.00 C ATOM 669 O GLU A 122 6.075 5.024 -7.679 1.00 0.00 O ATOM 670 CB GLU A 122 9.176 4.402 -6.783 1.00 0.00 C ATOM 671 CG GLU A 122 10.013 4.320 -5.503 1.00 0.00 C ATOM 672 CD GLU A 122 11.400 4.895 -5.759 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.930 4.650 -6.829 1.00 0.00 O ATOM 674 OE2 GLU A 122 11.912 5.568 -4.880 1.00 0.00 O ATOM 0 H GLU A 122 8.840 1.978 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 122 7.364 4.243 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.678 3.870 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.078 5.441 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.523 4.871 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.093 3.284 -5.175 1.00 0.00 H new ATOM 681 N GLN A 123 6.987 3.293 -8.776 1.00 0.00 N ATOM 682 CA GLN A 123 6.143 3.486 -9.947 1.00 0.00 C ATOM 683 C GLN A 123 4.694 3.110 -9.634 1.00 0.00 C ATOM 684 O GLN A 123 3.762 3.769 -10.089 1.00 0.00 O ATOM 685 CB GLN A 123 6.662 2.646 -11.116 1.00 0.00 C ATOM 686 CG GLN A 123 5.863 2.969 -12.383 1.00 0.00 C ATOM 687 CD GLN A 123 6.127 4.406 -12.813 1.00 0.00 C ATOM 688 OE1 GLN A 123 7.340 4.885 -12.755 1.00 0.00 O flip ATOM 689 NE2 GLN A 123 5.205 5.113 -13.217 1.00 0.00 N flip ATOM 0 H GLN A 123 7.642 2.514 -8.842 1.00 0.00 H new ATOM 0 HA GLN A 123 6.176 4.539 -10.225 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.720 2.850 -11.281 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.575 1.585 -10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.142 2.284 -13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.798 2.826 -12.198 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.257 4.739 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.388 6.074 -13.507 1.00 0.00 H new ATOM 698 N MET A 124 4.507 2.046 -8.854 1.00 0.00 N ATOM 699 CA MET A 124 3.169 1.600 -8.517 1.00 0.00 C ATOM 700 C MET A 124 2.458 2.655 -7.674 1.00 0.00 C ATOM 701 O MET A 124 1.285 2.948 -7.887 1.00 0.00 O ATOM 702 CB MET A 124 3.249 0.276 -7.758 1.00 0.00 C ATOM 703 CG MET A 124 1.842 -0.229 -7.463 1.00 0.00 C ATOM 704 SD MET A 124 1.011 -0.652 -9.016 1.00 0.00 S ATOM 705 CE MET A 124 1.484 -2.396 -9.072 1.00 0.00 C ATOM 0 H MET A 124 5.259 1.487 -8.451 1.00 0.00 H new ATOM 0 HA MET A 124 2.598 1.451 -9.433 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.795 -0.461 -8.348 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.800 0.411 -6.828 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.887 -1.103 -6.813 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.274 0.535 -6.931 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.068 -2.857 -9.968 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.571 -2.478 -9.093 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.099 -2.906 -8.189 1.00 0.00 H new ATOM 715 N ILE A 125 3.180 3.242 -6.722 1.00 0.00 N ATOM 716 CA ILE A 125 2.588 4.266 -5.869 1.00 0.00 C ATOM 717 C ILE A 125 2.214 5.489 -6.706 1.00 0.00 C ATOM 718 O ILE A 125 1.115 6.025 -6.593 1.00 0.00 O ATOM 719 CB ILE A 125 3.589 4.663 -4.777 1.00 0.00 C ATOM 720 CG1 ILE A 125 3.764 3.493 -3.782 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.086 5.916 -4.040 1.00 0.00 C ATOM 722 CD1 ILE A 125 4.779 3.851 -2.690 1.00 0.00 C ATOM 0 H ILE A 125 4.158 3.030 -6.525 1.00 0.00 H new ATOM 0 HA ILE A 125 1.686 3.870 -5.403 1.00 0.00 H new ATOM 0 HB ILE A 125 4.553 4.887 -5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.804 3.251 -3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.097 2.603 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.801 6.194 -3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.981 6.738 -4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.119 5.706 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.885 3.012 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.744 4.069 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.431 4.727 -2.143 1.00 0.00 H new ATOM 734 N LYS A 126 3.142 5.907 -7.561 1.00 0.00 N ATOM 735 CA LYS A 126 2.905 7.054 -8.426 1.00 0.00 C ATOM 736 C LYS A 126 1.756 6.769 -9.390 1.00 0.00 C ATOM 737 O LYS A 126 0.897 7.617 -9.619 1.00 0.00 O ATOM 738 CB LYS A 126 4.166 7.382 -9.204 1.00 0.00 C ATOM 739 CG LYS A 126 5.211 7.961 -8.251 1.00 0.00 C ATOM 740 CD LYS A 126 6.503 8.243 -9.022 1.00 0.00 C ATOM 741 CE LYS A 126 7.548 8.827 -8.070 1.00 0.00 C ATOM 742 NZ LYS A 126 8.801 9.114 -8.825 1.00 0.00 N ATOM 0 H LYS A 126 4.058 5.472 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 126 2.633 7.908 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.554 6.484 -9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.943 8.097 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.837 8.879 -7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 126 5.405 7.261 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.879 7.324 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.308 8.940 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.169 9.741 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.751 8.126 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.512 9.511 -8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.165 8.233 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.601 9.798 -9.582 1.00 0.00 H new ATOM 756 N GLU A 127 1.744 5.564 -9.947 1.00 0.00 N ATOM 757 CA GLU A 127 0.682 5.167 -10.861 1.00 0.00 C ATOM 758 C GLU A 127 -0.634 4.977 -10.118 1.00 0.00 C ATOM 759 O GLU A 127 -1.710 5.222 -10.659 1.00 0.00 O ATOM 760 CB GLU A 127 1.058 3.870 -11.556 1.00 0.00 C ATOM 761 CG GLU A 127 0.112 3.623 -12.735 1.00 0.00 C ATOM 762 CD GLU A 127 0.453 4.564 -13.885 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.438 5.276 -13.770 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.280 4.568 -14.860 1.00 0.00 O ATOM 0 H GLU A 127 2.453 4.849 -9.783 1.00 0.00 H new ATOM 0 HA GLU A 127 0.555 5.959 -11.599 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.088 3.920 -11.908 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.002 3.040 -10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.193 2.588 -13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.920 3.778 -12.422 1.00 0.00 H new ATOM 771 N ALA A 128 -0.539 4.524 -8.875 1.00 0.00 N ATOM 772 CA ALA A 128 -1.739 4.291 -8.076 1.00 0.00 C ATOM 773 C ALA A 128 -2.183 5.571 -7.382 1.00 0.00 C ATOM 774 O ALA A 128 -3.365 5.768 -7.113 1.00 0.00 O ATOM 775 CB ALA A 128 -1.482 3.212 -7.029 1.00 0.00 C ATOM 0 H ALA A 128 0.340 4.313 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.529 3.959 -8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.387 3.051 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.201 2.283 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.674 3.530 -6.370 1.00 0.00 H new ATOM 781 N ASP A 129 -1.226 6.441 -7.080 1.00 0.00 N ATOM 782 CA ASP A 129 -1.552 7.689 -6.395 1.00 0.00 C ATOM 783 C ASP A 129 -2.479 8.551 -7.229 1.00 0.00 C ATOM 784 O ASP A 129 -2.033 9.330 -8.071 1.00 0.00 O ATOM 785 CB ASP A 129 -0.289 8.472 -6.107 1.00 0.00 C ATOM 786 CG ASP A 129 -0.625 9.803 -5.447 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.708 9.908 -4.888 1.00 0.00 O ATOM 788 OD2 ASP A 129 0.203 10.695 -5.507 1.00 0.00 O ATOM 0 H ASP A 129 -0.237 6.311 -7.293 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.054 7.429 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.365 7.892 -5.456 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.257 8.647 -7.034 1.00 0.00 H new ATOM 793 N LEU A 130 -3.771 8.413 -6.990 1.00 0.00 N ATOM 794 CA LEU A 130 -4.754 9.194 -7.734 1.00 0.00 C ATOM 795 C LEU A 130 -4.749 10.658 -7.299 1.00 0.00 C ATOM 796 O LEU A 130 -4.947 11.562 -8.110 1.00 0.00 O ATOM 797 CB LEU A 130 -6.162 8.612 -7.544 1.00 0.00 C ATOM 798 CG LEU A 130 -7.223 9.563 -8.136 1.00 0.00 C ATOM 799 CD1 LEU A 130 -8.310 8.752 -8.848 1.00 0.00 C ATOM 800 CD2 LEU A 130 -7.856 10.381 -7.005 1.00 0.00 C ATOM 0 H LEU A 130 -4.165 7.777 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.478 9.143 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.228 7.638 -8.028 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.357 8.455 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.748 10.232 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.056 9.429 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -7.861 8.169 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.788 8.079 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.606 11.054 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.328 9.708 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -7.084 10.963 -6.501 1.00 0.00 H new ATOM 812 N ASP A 131 -4.537 10.894 -6.007 1.00 0.00 N ATOM 813 CA ASP A 131 -4.546 12.259 -5.484 1.00 0.00 C ATOM 814 C ASP A 131 -3.258 13.000 -5.836 1.00 0.00 C ATOM 815 O ASP A 131 -3.159 14.206 -5.631 1.00 0.00 O ATOM 816 CB ASP A 131 -4.703 12.234 -3.964 1.00 0.00 C ATOM 817 CG ASP A 131 -5.870 11.336 -3.574 1.00 0.00 C ATOM 818 OD1 ASP A 131 -6.956 11.548 -4.086 1.00 0.00 O ATOM 819 OD2 ASP A 131 -5.656 10.446 -2.767 1.00 0.00 O ATOM 0 H ASP A 131 -4.359 10.170 -5.311 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.386 12.782 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.785 11.872 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.871 13.244 -3.591 1.00 0.00 H new ATOM 824 N GLY A 132 -2.269 12.286 -6.362 1.00 0.00 N ATOM 825 CA GLY A 132 -1.014 12.927 -6.718 1.00 0.00 C ATOM 826 C GLY A 132 -0.282 13.448 -5.478 1.00 0.00 C ATOM 827 O GLY A 132 0.437 14.440 -5.548 1.00 0.00 O ATOM 0 H GLY A 132 -2.311 11.284 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -0.378 12.217 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -1.207 13.753 -7.403 1.00 0.00 H new ATOM 831 N ASP A 133 -0.464 12.776 -4.336 1.00 0.00 N ATOM 832 CA ASP A 133 0.202 13.201 -3.109 1.00 0.00 C ATOM 833 C ASP A 133 1.442 12.349 -2.855 1.00 0.00 C ATOM 834 O ASP A 133 2.261 12.661 -1.995 1.00 0.00 O ATOM 835 CB ASP A 133 -0.754 13.073 -1.923 1.00 0.00 C ATOM 836 CG ASP A 133 -1.360 11.677 -1.906 1.00 0.00 C ATOM 837 OD1 ASP A 133 -1.104 10.924 -2.833 1.00 0.00 O ATOM 838 OD2 ASP A 133 -2.065 11.371 -0.958 1.00 0.00 O ATOM 0 H ASP A 133 -1.056 11.951 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 133 0.502 14.243 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.221 13.261 -0.991 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.542 13.822 -1.996 1.00 0.00 H new ATOM 843 N GLY A 134 1.579 11.267 -3.618 1.00 0.00 N ATOM 844 CA GLY A 134 2.723 10.379 -3.471 1.00 0.00 C ATOM 845 C GLY A 134 2.473 9.376 -2.363 1.00 0.00 C ATOM 846 O GLY A 134 3.340 8.577 -2.021 1.00 0.00 O ATOM 0 H GLY A 134 0.915 10.987 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.908 9.856 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.617 10.961 -3.249 1.00 0.00 H new ATOM 850 N GLN A 135 1.276 9.441 -1.785 1.00 0.00 N ATOM 851 CA GLN A 135 0.906 8.555 -0.696 1.00 0.00 C ATOM 852 C GLN A 135 -0.218 7.624 -1.123 1.00 0.00 C ATOM 853 O GLN A 135 -1.139 8.033 -1.838 1.00 0.00 O ATOM 854 CB GLN A 135 0.443 9.412 0.479 1.00 0.00 C ATOM 855 CG GLN A 135 1.596 9.623 1.462 1.00 0.00 C ATOM 856 CD GLN A 135 1.252 10.737 2.447 1.00 0.00 C ATOM 857 OE1 GLN A 135 0.634 10.481 3.477 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.620 11.964 2.189 1.00 0.00 N ATOM 0 H GLN A 135 0.548 10.101 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 135 1.764 7.946 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.083 10.375 0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.393 8.928 0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.796 8.698 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.506 9.877 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.133 12.173 1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.394 12.713 2.844 1.00 0.00 H new ATOM 867 N VAL A 136 -0.159 6.372 -0.671 1.00 0.00 N ATOM 868 CA VAL A 136 -1.206 5.420 -1.007 1.00 0.00 C ATOM 869 C VAL A 136 -2.280 5.481 0.077 1.00 0.00 C ATOM 870 O VAL A 136 -2.106 4.905 1.149 1.00 0.00 O ATOM 871 CB VAL A 136 -0.628 4.008 -1.096 1.00 0.00 C ATOM 872 CG1 VAL A 136 -1.647 3.061 -1.738 1.00 0.00 C ATOM 873 CG2 VAL A 136 0.637 4.036 -1.950 1.00 0.00 C ATOM 0 H VAL A 136 0.588 6.002 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.639 5.672 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.394 3.654 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.225 2.058 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.554 3.038 -1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.888 3.412 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.053 3.031 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.393 4.395 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.369 4.702 -1.494 1.00 0.00 H new ATOM 883 N ASN A 137 -3.390 6.179 -0.189 1.00 0.00 N ATOM 884 CA ASN A 137 -4.456 6.308 0.810 1.00 0.00 C ATOM 885 C ASN A 137 -5.562 5.288 0.532 1.00 0.00 C ATOM 886 O ASN A 137 -5.423 4.447 -0.352 1.00 0.00 O ATOM 887 CB ASN A 137 -5.035 7.732 0.785 1.00 0.00 C ATOM 888 CG ASN A 137 -5.850 8.000 2.049 1.00 0.00 C ATOM 889 OD1 ASN A 137 -5.618 7.378 3.083 1.00 0.00 O ATOM 890 ND2 ASN A 137 -6.797 8.895 2.021 1.00 0.00 N ATOM 0 H ASN A 137 -3.572 6.656 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.037 6.115 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.226 8.458 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -5.665 7.859 -0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -7.348 9.081 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.987 9.410 1.161 1.00 0.00 H new ATOM 897 N TYR A 138 -6.653 5.359 1.289 1.00 0.00 N ATOM 898 CA TYR A 138 -7.739 4.412 1.108 1.00 0.00 C ATOM 899 C TYR A 138 -8.227 4.394 -0.343 1.00 0.00 C ATOM 900 O TYR A 138 -8.412 3.334 -0.928 1.00 0.00 O ATOM 901 CB TYR A 138 -8.906 4.774 2.022 1.00 0.00 C ATOM 902 CG TYR A 138 -9.887 3.628 2.071 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.636 2.523 2.889 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.049 3.677 1.295 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.550 1.465 2.932 1.00 0.00 C ATOM 906 CE2 TYR A 138 -11.963 2.619 1.338 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.714 1.512 2.157 1.00 0.00 C ATOM 908 OH TYR A 138 -12.618 0.468 2.202 1.00 0.00 O ATOM 0 H TYR A 138 -6.804 6.052 2.022 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.360 3.422 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.540 4.996 3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.401 5.674 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.738 2.486 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.241 4.531 0.663 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.357 0.611 3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -12.861 2.656 0.739 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.323 0.673 2.851 1.00 0.00 H new ATOM 918 N GLU A 139 -8.447 5.571 -0.926 1.00 0.00 N ATOM 919 CA GLU A 139 -8.966 5.640 -2.291 1.00 0.00 C ATOM 920 C GLU A 139 -8.025 4.974 -3.280 1.00 0.00 C ATOM 921 O GLU A 139 -8.430 4.111 -4.051 1.00 0.00 O ATOM 922 CB GLU A 139 -9.187 7.103 -2.682 1.00 0.00 C ATOM 923 CG GLU A 139 -9.897 7.181 -4.035 1.00 0.00 C ATOM 924 CD GLU A 139 -10.166 8.640 -4.391 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.002 9.482 -3.526 1.00 0.00 O ATOM 926 OE2 GLU A 139 -10.533 8.892 -5.528 1.00 0.00 O ATOM 0 H GLU A 139 -8.278 6.475 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 139 -9.914 5.103 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.782 7.606 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.230 7.623 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -9.283 6.716 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.835 6.627 -3.997 1.00 0.00 H new ATOM 933 N GLU A 140 -6.772 5.361 -3.250 1.00 0.00 N ATOM 934 CA GLU A 140 -5.802 4.780 -4.163 1.00 0.00 C ATOM 935 C GLU A 140 -5.585 3.307 -3.830 1.00 0.00 C ATOM 936 O GLU A 140 -5.448 2.479 -4.721 1.00 0.00 O ATOM 937 CB GLU A 140 -4.474 5.554 -4.102 1.00 0.00 C ATOM 938 CG GLU A 140 -4.504 6.511 -2.917 1.00 0.00 C ATOM 939 CD GLU A 140 -5.365 7.722 -3.231 1.00 0.00 C ATOM 940 OE1 GLU A 140 -5.392 8.124 -4.373 1.00 0.00 O ATOM 941 OE2 GLU A 140 -6.035 8.184 -2.337 1.00 0.00 O ATOM 0 H GLU A 140 -6.398 6.066 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.190 4.852 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.639 4.860 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.320 6.108 -5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.895 5.998 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -3.491 6.831 -2.675 1.00 0.00 H new ATOM 948 N PHE A 141 -5.562 2.981 -2.537 1.00 0.00 N ATOM 949 CA PHE A 141 -5.353 1.595 -2.136 1.00 0.00 C ATOM 950 C PHE A 141 -6.495 0.744 -2.676 1.00 0.00 C ATOM 951 O PHE A 141 -6.277 -0.281 -3.318 1.00 0.00 O ATOM 952 CB PHE A 141 -5.294 1.497 -0.612 1.00 0.00 C ATOM 953 CG PHE A 141 -4.836 0.121 -0.198 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.548 -0.318 -0.526 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.704 -0.722 0.509 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.126 -1.595 -0.146 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.280 -2.002 0.889 1.00 0.00 C ATOM 958 CZ PHE A 141 -3.991 -2.436 0.561 1.00 0.00 C ATOM 0 H PHE A 141 -5.682 3.641 -1.769 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.409 1.233 -2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.611 2.250 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.277 1.704 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.880 0.331 -1.073 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.699 -0.385 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.132 -1.932 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.947 -2.653 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.663 -3.422 0.854 1.00 0.00 H new ATOM 968 N VAL A 142 -7.721 1.186 -2.424 1.00 0.00 N ATOM 969 CA VAL A 142 -8.881 0.440 -2.885 1.00 0.00 C ATOM 970 C VAL A 142 -8.840 0.335 -4.405 1.00 0.00 C ATOM 971 O VAL A 142 -9.019 -0.739 -4.970 1.00 0.00 O ATOM 972 CB VAL A 142 -10.166 1.157 -2.453 1.00 0.00 C ATOM 973 CG1 VAL A 142 -11.358 0.625 -3.253 1.00 0.00 C ATOM 974 CG2 VAL A 142 -10.413 0.935 -0.956 1.00 0.00 C ATOM 0 H VAL A 142 -7.934 2.042 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.866 -0.559 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.053 2.224 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -12.266 1.140 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -11.190 0.800 -4.316 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.468 -0.445 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -11.328 1.448 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -10.514 -0.132 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -9.573 1.331 -0.386 1.00 0.00 H new ATOM 984 N LYS A 143 -8.572 1.458 -5.054 1.00 0.00 N ATOM 985 CA LYS A 143 -8.487 1.487 -6.504 1.00 0.00 C ATOM 986 C LYS A 143 -7.355 0.577 -6.975 1.00 0.00 C ATOM 987 O LYS A 143 -7.544 -0.271 -7.842 1.00 0.00 O ATOM 988 CB LYS A 143 -8.230 2.921 -6.949 1.00 0.00 C ATOM 989 CG LYS A 143 -8.279 3.010 -8.477 1.00 0.00 C ATOM 990 CD LYS A 143 -8.081 4.465 -8.908 1.00 0.00 C ATOM 991 CE LYS A 143 -8.114 4.554 -10.435 1.00 0.00 C ATOM 992 NZ LYS A 143 -9.438 4.089 -10.935 1.00 0.00 N ATOM 0 H LYS A 143 -8.410 2.357 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.420 1.130 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -8.976 3.585 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.257 3.254 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.503 2.381 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -9.236 2.638 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -8.863 5.092 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -7.129 4.841 -8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -7.934 5.581 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -7.318 3.944 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.601 4.467 -11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -9.451 3.050 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -10.188 4.425 -10.297 1.00 0.00 H new ATOM 1006 N MET A 144 -6.183 0.743 -6.376 1.00 0.00 N ATOM 1007 CA MET A 144 -5.036 -0.089 -6.737 1.00 0.00 C ATOM 1008 C MET A 144 -5.335 -1.538 -6.383 1.00 0.00 C ATOM 1009 O MET A 144 -4.993 -2.463 -7.116 1.00 0.00 O ATOM 1010 CB MET A 144 -3.791 0.349 -5.948 1.00 0.00 C ATOM 1011 CG MET A 144 -2.518 -0.327 -6.488 1.00 0.00 C ATOM 1012 SD MET A 144 -1.072 0.359 -5.636 1.00 0.00 S ATOM 1013 CE MET A 144 -1.496 -0.172 -3.958 1.00 0.00 C ATOM 0 H MET A 144 -6.000 1.434 -5.649 1.00 0.00 H new ATOM 0 HA MET A 144 -4.852 0.017 -7.806 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.683 1.432 -6.007 1.00 0.00 H new ATOM 0 HB3 MET A 144 -3.919 0.099 -4.895 1.00 0.00 H new ATOM 0 HG2 MET A 144 -2.570 -1.405 -6.332 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.433 -0.164 -7.562 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.589 -0.240 -3.358 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.175 0.552 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.980 -1.148 -3.997 1.00 0.00 H new ATOM 1023 N MET A 145 -5.965 -1.719 -5.231 1.00 0.00 N ATOM 1024 CA MET A 145 -6.284 -3.052 -4.782 1.00 0.00 C ATOM 1025 C MET A 145 -7.231 -3.716 -5.775 1.00 0.00 C ATOM 1026 O MET A 145 -7.110 -4.903 -6.070 1.00 0.00 O ATOM 1027 CB MET A 145 -6.916 -3.022 -3.385 1.00 0.00 C ATOM 1028 CG MET A 145 -7.262 -4.449 -2.932 1.00 0.00 C ATOM 1029 SD MET A 145 -7.829 -4.422 -1.212 1.00 0.00 S ATOM 1030 CE MET A 145 -6.276 -4.946 -0.440 1.00 0.00 C ATOM 0 H MET A 145 -6.258 -0.969 -4.605 1.00 0.00 H new ATOM 0 HA MET A 145 -5.361 -3.629 -4.723 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.227 -2.564 -2.675 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.816 -2.408 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.037 -4.867 -3.574 1.00 0.00 H new ATOM 0 HG3 MET A 145 -6.388 -5.093 -3.027 1.00 0.00 H new ATOM 0 HE1 MET A 145 -6.294 -4.695 0.621 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.157 -6.023 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.441 -4.435 -0.919 1.00 0.00 H new ATOM 1040 N MET A 146 -8.180 -2.938 -6.297 1.00 0.00 N ATOM 1041 CA MET A 146 -9.132 -3.473 -7.256 1.00 0.00 C ATOM 1042 C MET A 146 -8.421 -3.840 -8.549 1.00 0.00 C ATOM 1043 O MET A 146 -8.716 -4.863 -9.156 1.00 0.00 O ATOM 1044 CB MET A 146 -10.223 -2.437 -7.539 1.00 0.00 C ATOM 1045 CG MET A 146 -11.220 -2.402 -6.376 1.00 0.00 C ATOM 1046 SD MET A 146 -12.414 -1.067 -6.633 1.00 0.00 S ATOM 1047 CE MET A 146 -13.541 -1.979 -7.714 1.00 0.00 C ATOM 0 H MET A 146 -8.305 -1.951 -6.073 1.00 0.00 H new ATOM 0 HA MET A 146 -9.589 -4.369 -6.837 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.776 -1.453 -7.676 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.740 -2.684 -8.466 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.739 -3.357 -6.301 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.690 -2.253 -5.435 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.407 -1.358 -7.944 1.00 0.00 H new ATOM 0 HE2 MET A 146 -13.026 -2.241 -8.638 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.871 -2.889 -7.212 1.00 0.00 H new ATOM 1057 N THR A 147 -7.476 -3.000 -8.958 1.00 0.00 N ATOM 1058 CA THR A 147 -6.732 -3.244 -10.190 1.00 0.00 C ATOM 1059 C THR A 147 -6.072 -4.615 -10.151 1.00 0.00 C ATOM 1060 O THR A 147 -5.689 -5.163 -11.182 1.00 0.00 O ATOM 1061 CB THR A 147 -5.660 -2.157 -10.384 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.291 -0.891 -10.497 1.00 0.00 O ATOM 1063 CG2 THR A 147 -4.851 -2.440 -11.651 1.00 0.00 C ATOM 0 H THR A 147 -7.208 -2.151 -8.460 1.00 0.00 H new ATOM 0 HA THR A 147 -7.430 -3.213 -11.027 1.00 0.00 H new ATOM 0 HB THR A 147 -4.988 -2.158 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 147 -6.686 -0.644 -9.635 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.095 -1.666 -11.780 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.364 -3.411 -11.563 1.00 0.00 H new ATOM 0 HG23 THR A 147 -5.517 -2.445 -12.514 1.00 0.00 H new ATOM 1071 N VAL A 148 -5.942 -5.171 -8.951 1.00 0.00 N ATOM 1072 CA VAL A 148 -5.315 -6.479 -8.785 1.00 0.00 C ATOM 1073 C VAL A 148 -6.002 -7.510 -9.679 1.00 0.00 C ATOM 1074 O VAL A 148 -5.336 -8.271 -10.379 1.00 0.00 O ATOM 1075 CB VAL A 148 -5.384 -6.902 -7.313 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -4.819 -8.317 -7.146 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -4.559 -5.928 -6.462 1.00 0.00 C ATOM 0 H VAL A 148 -6.260 -4.740 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 148 -4.268 -6.417 -9.081 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.425 -6.888 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.872 -8.609 -6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -5.402 -9.015 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.780 -8.335 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -4.608 -6.228 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -3.521 -5.942 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -4.961 -4.921 -6.570 1.00 0.00 H new ATOM 1087 N ARG A 149 -7.329 -7.528 -9.661 1.00 0.00 N ATOM 1088 CA ARG A 149 -8.070 -8.474 -10.486 1.00 0.00 C ATOM 1089 C ARG A 149 -7.738 -8.264 -11.959 1.00 0.00 C ATOM 1090 O ARG A 149 -8.073 -9.127 -12.750 1.00 0.00 O ATOM 1091 CB ARG A 149 -9.576 -8.295 -10.266 1.00 0.00 C ATOM 1092 CG ARG A 149 -9.955 -8.783 -8.863 1.00 0.00 C ATOM 1093 CD ARG A 149 -11.445 -8.547 -8.620 1.00 0.00 C ATOM 1094 NE ARG A 149 -11.829 -9.058 -7.311 1.00 0.00 N ATOM 1095 CZ ARG A 149 -13.105 -9.167 -6.971 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -14.029 -8.811 -7.817 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -13.437 -9.630 -5.795 1.00 0.00 N ATOM 1098 OXT ARG A 149 -7.149 -7.241 -12.272 1.00 0.00 O ATOM 0 H ARG A 149 -7.907 -6.908 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 149 -7.783 -9.485 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -9.848 -7.246 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -10.132 -8.854 -11.019 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -9.724 -9.843 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -9.366 -8.255 -8.113 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -11.667 -7.482 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -12.030 -9.040 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 149 -11.106 -9.336 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -13.769 -8.451 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -15.013 -8.892 -7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -12.712 -9.910 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -14.421 -9.712 -5.538 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 0.555 5.191 7.903 1.00 0.00 CA HETATM 1114 CA CA A 234 -2.890 9.362 -3.033 1.00 0.00 CA