USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 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 -125:sc= 0.136 USER MOD Set 1.2: A 135 GLN : amide:sc= -5.34! C(o=-5.2!,f=-8.9!) USER MOD Set 2.1: A 109 MET CE :methyl -144:sc= -0.119 (180deg=-0.471) USER MOD Set 2.2: A 124 MET CE :methyl 154:sc= -0.0141 (180deg=-0.299) USER MOD Single : A 86 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0783) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.058 (180deg=-0.596) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.87 F(o=-13!,f=-1.9) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.664 USER MOD Single : A 107 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 115 LYS NZ :NH3+ -174:sc= 0.298 (180deg=0.278) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 123 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.7!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -1.23! C(o=-1.2!,f=-3.3!) USER MOD Single : A 138 TYR OH : rot 169:sc= 0.74 USER MOD Single : A 143 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0849) USER MOD Single : A 144 MET CE :methyl -134:sc= -0.211 (180deg=-1.03) USER MOD Single : A 145 MET CE :methyl -152:sc= 0 (180deg=-0.11) USER MOD Single : A 146 MET CE :methyl -171:sc=-0.00226 (180deg=-0.0613) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -18.483 -8.065 3.947 1.00 0.00 N ATOM 2 CA ASP A 80 -17.250 -8.677 4.517 1.00 0.00 C ATOM 3 C ASP A 80 -16.016 -8.119 3.814 1.00 0.00 C ATOM 4 O ASP A 80 -15.061 -7.698 4.464 1.00 0.00 O ATOM 5 CB ASP A 80 -17.309 -10.194 4.345 1.00 0.00 C ATOM 6 CG ASP A 80 -18.357 -10.785 5.285 1.00 0.00 C ATOM 7 OD1 ASP A 80 -18.830 -10.059 6.144 1.00 0.00 O ATOM 8 OD2 ASP A 80 -18.670 -11.954 5.132 1.00 0.00 O ATOM 0 HA ASP A 80 -17.186 -8.437 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.554 -10.442 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -16.333 -10.630 4.555 1.00 0.00 H new ATOM 15 N ALA A 81 -16.033 -8.121 2.487 1.00 0.00 N ATOM 16 CA ALA A 81 -14.895 -7.609 1.735 1.00 0.00 C ATOM 17 C ALA A 81 -14.580 -6.183 2.173 1.00 0.00 C ATOM 18 O ALA A 81 -13.425 -5.847 2.438 1.00 0.00 O ATOM 19 CB ALA A 81 -15.193 -7.637 0.235 1.00 0.00 C ATOM 0 H ALA A 81 -16.807 -8.465 1.918 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.032 -8.244 1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.334 -7.252 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.393 -8.662 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.065 -7.017 0.026 1.00 0.00 H new ATOM 25 N GLU A 82 -15.608 -5.343 2.252 1.00 0.00 N ATOM 26 CA GLU A 82 -15.414 -3.964 2.656 1.00 0.00 C ATOM 27 C GLU A 82 -14.965 -3.891 4.113 1.00 0.00 C ATOM 28 O GLU A 82 -14.186 -3.016 4.487 1.00 0.00 O ATOM 29 CB GLU A 82 -16.712 -3.179 2.471 1.00 0.00 C ATOM 30 CG GLU A 82 -16.416 -1.692 2.609 1.00 0.00 C ATOM 31 CD GLU A 82 -15.633 -1.198 1.395 1.00 0.00 C ATOM 32 OE1 GLU A 82 -15.468 -1.973 0.468 1.00 0.00 O ATOM 33 OE2 GLU A 82 -15.209 -0.054 1.412 1.00 0.00 O ATOM 0 H GLU A 82 -16.574 -5.595 2.043 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.637 -3.525 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.142 -3.388 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.447 -3.487 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.348 -1.135 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.844 -1.510 3.519 1.00 0.00 H new ATOM 40 N GLU A 83 -15.442 -4.824 4.927 1.00 0.00 N ATOM 41 CA GLU A 83 -15.048 -4.845 6.329 1.00 0.00 C ATOM 42 C GLU A 83 -13.577 -5.227 6.432 1.00 0.00 C ATOM 43 O GLU A 83 -12.736 -4.402 6.781 1.00 0.00 O ATOM 44 CB GLU A 83 -15.908 -5.835 7.115 1.00 0.00 C ATOM 45 CG GLU A 83 -17.341 -5.307 7.205 1.00 0.00 C ATOM 46 CD GLU A 83 -18.228 -6.335 7.896 1.00 0.00 C ATOM 47 OE1 GLU A 83 -17.711 -7.369 8.285 1.00 0.00 O ATOM 48 OE2 GLU A 83 -19.414 -6.075 8.028 1.00 0.00 O ATOM 0 H GLU A 83 -16.089 -5.562 4.648 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.197 -3.853 6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.898 -6.809 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.498 -5.976 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.358 -4.368 7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.724 -5.096 6.207 1.00 0.00 H new ATOM 55 N GLU A 84 -13.270 -6.484 6.131 1.00 0.00 N ATOM 56 CA GLU A 84 -11.892 -6.950 6.201 1.00 0.00 C ATOM 57 C GLU A 84 -10.958 -5.963 5.511 1.00 0.00 C ATOM 58 O GLU A 84 -9.843 -5.727 5.978 1.00 0.00 O ATOM 59 CB GLU A 84 -11.768 -8.332 5.550 1.00 0.00 C ATOM 60 CG GLU A 84 -12.598 -9.347 6.340 1.00 0.00 C ATOM 61 CD GLU A 84 -12.026 -9.512 7.746 1.00 0.00 C ATOM 62 OE1 GLU A 84 -10.874 -9.162 7.939 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.752 -9.979 8.608 1.00 0.00 O ATOM 0 H GLU A 84 -13.947 -7.189 5.840 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.606 -7.025 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.112 -8.291 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.723 -8.641 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.635 -9.015 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.599 -10.307 5.824 1.00 0.00 H new ATOM 70 N LEU A 85 -11.407 -5.376 4.403 1.00 0.00 N ATOM 71 CA LEU A 85 -10.576 -4.416 3.690 1.00 0.00 C ATOM 72 C LEU A 85 -10.280 -3.212 4.579 1.00 0.00 C ATOM 73 O LEU A 85 -9.143 -2.746 4.649 1.00 0.00 O ATOM 74 CB LEU A 85 -11.277 -3.959 2.401 1.00 0.00 C ATOM 75 CG LEU A 85 -10.409 -2.918 1.672 1.00 0.00 C ATOM 76 CD1 LEU A 85 -9.034 -3.529 1.345 1.00 0.00 C ATOM 77 CD2 LEU A 85 -11.102 -2.469 0.378 1.00 0.00 C ATOM 0 H LEU A 85 -12.323 -5.545 3.988 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.635 -4.899 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.456 -4.815 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.251 -3.531 2.639 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.273 -2.051 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.421 -2.790 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.540 -3.829 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.166 -4.401 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.480 -1.732 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.250 -3.331 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.068 -2.025 0.618 1.00 0.00 H new ATOM 89 N LYS A 86 -11.301 -2.707 5.258 1.00 0.00 N ATOM 90 CA LYS A 86 -11.111 -1.562 6.128 1.00 0.00 C ATOM 91 C LYS A 86 -10.148 -1.912 7.260 1.00 0.00 C ATOM 92 O LYS A 86 -9.338 -1.084 7.678 1.00 0.00 O ATOM 93 CB LYS A 86 -12.452 -1.098 6.704 1.00 0.00 C ATOM 94 CG LYS A 86 -12.262 0.183 7.530 1.00 0.00 C ATOM 95 CD LYS A 86 -11.871 1.351 6.607 1.00 0.00 C ATOM 96 CE LYS A 86 -12.151 2.674 7.306 1.00 0.00 C ATOM 97 NZ LYS A 86 -11.279 2.795 8.507 1.00 0.00 N ATOM 0 H LYS A 86 -12.254 -3.068 5.223 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.684 -0.749 5.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.160 -0.916 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.878 -1.882 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.182 0.422 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.489 0.029 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.815 1.283 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.434 1.295 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.966 3.504 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.200 2.729 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.305 3.774 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.620 2.152 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.302 2.543 8.254 1.00 0.00 H new ATOM 111 N GLU A 87 -10.241 -3.139 7.753 1.00 0.00 N ATOM 112 CA GLU A 87 -9.366 -3.571 8.833 1.00 0.00 C ATOM 113 C GLU A 87 -7.926 -3.654 8.339 1.00 0.00 C ATOM 114 O GLU A 87 -7.020 -3.080 8.942 1.00 0.00 O ATOM 115 CB GLU A 87 -9.816 -4.935 9.355 1.00 0.00 C ATOM 116 CG GLU A 87 -8.972 -5.312 10.573 1.00 0.00 C ATOM 117 CD GLU A 87 -9.463 -6.629 11.163 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.219 -7.313 10.491 1.00 0.00 O ATOM 119 OE2 GLU A 87 -9.074 -6.936 12.276 1.00 0.00 O ATOM 0 H GLU A 87 -10.903 -3.844 7.428 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.421 -2.844 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.872 -4.904 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.708 -5.689 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.924 -5.401 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.030 -4.524 11.324 1.00 0.00 H new ATOM 126 N ALA A 88 -7.719 -4.366 7.238 1.00 0.00 N ATOM 127 CA ALA A 88 -6.378 -4.503 6.686 1.00 0.00 C ATOM 128 C ALA A 88 -5.759 -3.125 6.485 1.00 0.00 C ATOM 129 O ALA A 88 -4.599 -2.902 6.825 1.00 0.00 O ATOM 130 CB ALA A 88 -6.431 -5.252 5.353 1.00 0.00 C ATOM 0 H ALA A 88 -8.450 -4.850 6.717 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.764 -5.072 7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.423 -5.349 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.856 -6.244 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.052 -4.698 4.649 1.00 0.00 H new ATOM 136 N PHE A 89 -6.544 -2.196 5.949 1.00 0.00 N ATOM 137 CA PHE A 89 -6.055 -0.841 5.725 1.00 0.00 C ATOM 138 C PHE A 89 -5.557 -0.243 7.037 1.00 0.00 C ATOM 139 O PHE A 89 -4.478 0.346 7.090 1.00 0.00 O ATOM 140 CB PHE A 89 -7.173 0.035 5.153 1.00 0.00 C ATOM 141 CG PHE A 89 -6.659 1.442 4.958 1.00 0.00 C ATOM 142 CD1 PHE A 89 -6.008 1.793 3.769 1.00 0.00 C ATOM 143 CD2 PHE A 89 -6.830 2.397 5.968 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.530 3.094 3.589 1.00 0.00 C ATOM 145 CE2 PHE A 89 -6.347 3.700 5.788 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.697 4.048 4.597 1.00 0.00 C ATOM 0 H PHE A 89 -7.511 -2.354 5.665 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.232 -0.880 5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.519 -0.372 4.203 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.028 0.039 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.875 1.057 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.334 2.129 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.031 3.363 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.476 4.436 6.568 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.325 5.052 4.458 1.00 0.00 H new ATOM 156 N LYS A 90 -6.336 -0.414 8.099 1.00 0.00 N ATOM 157 CA LYS A 90 -5.945 0.103 9.404 1.00 0.00 C ATOM 158 C LYS A 90 -4.666 -0.571 9.895 1.00 0.00 C ATOM 159 O LYS A 90 -3.869 0.039 10.606 1.00 0.00 O ATOM 160 CB LYS A 90 -7.067 -0.115 10.416 1.00 0.00 C ATOM 161 CG LYS A 90 -8.245 0.806 10.081 1.00 0.00 C ATOM 162 CD LYS A 90 -9.410 0.524 11.043 1.00 0.00 C ATOM 163 CE LYS A 90 -9.134 1.179 12.401 1.00 0.00 C ATOM 164 NZ LYS A 90 -10.369 1.155 13.224 1.00 0.00 N ATOM 0 H LYS A 90 -7.232 -0.901 8.083 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.757 1.172 9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.389 -1.156 10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.707 0.090 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.938 1.849 10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.564 0.646 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.340 0.910 10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.539 -0.551 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.332 0.650 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.799 2.206 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.181 1.600 14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.123 1.678 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.670 0.170 13.370 1.00 0.00 H new ATOM 178 N VAL A 91 -4.467 -1.831 9.513 1.00 0.00 N ATOM 179 CA VAL A 91 -3.267 -2.558 9.923 1.00 0.00 C ATOM 180 C VAL A 91 -2.097 -2.231 8.998 1.00 0.00 C ATOM 181 O VAL A 91 -0.938 -2.355 9.384 1.00 0.00 O ATOM 182 CB VAL A 91 -3.534 -4.064 9.926 1.00 0.00 C ATOM 183 CG1 VAL A 91 -2.277 -4.805 10.394 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.688 -4.367 10.884 1.00 0.00 C ATOM 0 H VAL A 91 -5.111 -2.364 8.928 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.005 -2.246 10.934 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.795 -4.392 8.920 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.467 -5.878 10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.451 -4.584 9.718 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.017 -4.480 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.883 -5.439 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.422 -4.040 11.889 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.582 -3.837 10.555 1.00 0.00 H new ATOM 194 N PHE A 92 -2.404 -1.810 7.775 1.00 0.00 N ATOM 195 CA PHE A 92 -1.353 -1.463 6.819 1.00 0.00 C ATOM 196 C PHE A 92 -0.636 -0.191 7.242 1.00 0.00 C ATOM 197 O PHE A 92 0.563 -0.042 7.017 1.00 0.00 O ATOM 198 CB PHE A 92 -1.942 -1.262 5.407 1.00 0.00 C ATOM 199 CG PHE A 92 -1.968 -2.571 4.657 1.00 0.00 C ATOM 200 CD1 PHE A 92 -2.252 -3.767 5.329 1.00 0.00 C ATOM 201 CD2 PHE A 92 -1.696 -2.586 3.286 1.00 0.00 C ATOM 202 CE1 PHE A 92 -2.265 -4.974 4.628 1.00 0.00 C ATOM 203 CE2 PHE A 92 -1.711 -3.790 2.584 1.00 0.00 C ATOM 204 CZ PHE A 92 -1.996 -4.989 3.254 1.00 0.00 C ATOM 0 H PHE A 92 -3.356 -1.701 7.424 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.642 -2.289 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.952 -0.858 5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.346 -0.533 4.858 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.461 -3.755 6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.474 -1.664 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.483 -5.897 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.503 -3.800 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.008 -5.922 2.711 1.00 0.00 H new ATOM 214 N ASP A 93 -1.380 0.728 7.834 1.00 0.00 N ATOM 215 CA ASP A 93 -0.796 1.995 8.249 1.00 0.00 C ATOM 216 C ASP A 93 0.061 1.824 9.501 1.00 0.00 C ATOM 217 O ASP A 93 -0.400 2.065 10.615 1.00 0.00 O ATOM 218 CB ASP A 93 -1.906 3.013 8.519 1.00 0.00 C ATOM 219 CG ASP A 93 -1.328 4.422 8.566 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.227 4.615 8.073 1.00 0.00 O ATOM 221 OD2 ASP A 93 -1.998 5.287 9.092 1.00 0.00 O ATOM 0 H ASP A 93 -2.374 0.625 8.036 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.156 2.354 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.665 2.949 7.739 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.399 2.783 9.464 1.00 0.00 H new ATOM 226 N LYS A 94 1.315 1.414 9.311 1.00 0.00 N ATOM 227 CA LYS A 94 2.209 1.224 10.447 1.00 0.00 C ATOM 228 C LYS A 94 2.281 2.514 11.262 1.00 0.00 C ATOM 229 O LYS A 94 2.123 2.496 12.481 1.00 0.00 O ATOM 230 CB LYS A 94 3.607 0.837 9.957 1.00 0.00 C ATOM 231 CG LYS A 94 4.507 0.522 11.155 1.00 0.00 C ATOM 232 CD LYS A 94 5.882 0.075 10.655 1.00 0.00 C ATOM 233 CE LYS A 94 6.784 -0.239 11.849 1.00 0.00 C ATOM 234 NZ LYS A 94 6.190 -1.355 12.640 1.00 0.00 N ATOM 0 H LYS A 94 1.726 1.211 8.400 1.00 0.00 H new ATOM 0 HA LYS A 94 1.823 0.421 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.545 -0.030 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.036 1.651 9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.607 1.402 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.058 -0.261 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.781 -0.806 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.330 0.858 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.780 -0.514 11.503 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.897 0.646 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.930 -1.805 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.446 -0.981 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.779 -2.058 11.994 1.00 0.00 H new ATOM 248 N ASP A 95 2.516 3.636 10.586 1.00 0.00 N ATOM 249 CA ASP A 95 2.603 4.921 11.272 1.00 0.00 C ATOM 250 C ASP A 95 1.223 5.347 11.753 1.00 0.00 C ATOM 251 O ASP A 95 1.079 6.340 12.465 1.00 0.00 O ATOM 252 CB ASP A 95 3.152 5.989 10.323 1.00 0.00 C ATOM 253 CG ASP A 95 4.350 5.443 9.558 1.00 0.00 C ATOM 254 OD1 ASP A 95 5.357 5.164 10.189 1.00 0.00 O ATOM 255 OD2 ASP A 95 4.238 5.309 8.347 1.00 0.00 O ATOM 0 H ASP A 95 2.648 3.682 9.576 1.00 0.00 H new ATOM 0 HA ASP A 95 3.273 4.814 12.125 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.375 6.300 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.444 6.874 10.889 1.00 0.00 H new ATOM 260 N GLN A 96 0.207 4.588 11.361 1.00 0.00 N ATOM 261 CA GLN A 96 -1.156 4.904 11.764 1.00 0.00 C ATOM 262 C GLN A 96 -1.455 6.381 11.502 1.00 0.00 C ATOM 263 O GLN A 96 -2.193 7.014 12.254 1.00 0.00 O ATOM 264 CB GLN A 96 -1.345 4.614 13.257 1.00 0.00 C ATOM 265 CG GLN A 96 -1.275 3.106 13.514 1.00 0.00 C ATOM 266 CD GLN A 96 -1.343 2.830 15.014 1.00 0.00 C ATOM 267 OE1 GLN A 96 -1.444 3.761 15.813 1.00 0.00 O ATOM 268 NE2 GLN A 96 -1.301 1.598 15.444 1.00 0.00 N ATOM 0 H GLN A 96 0.299 3.760 10.772 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.839 4.285 11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -0.575 5.125 13.835 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.306 5.003 13.592 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.098 2.603 13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.351 2.701 13.103 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.217 0.829 14.780 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.352 1.405 16.444 1.00 0.00 H new ATOM 277 N ASN A 97 -0.870 6.935 10.439 1.00 0.00 N ATOM 278 CA ASN A 97 -1.083 8.345 10.112 1.00 0.00 C ATOM 279 C ASN A 97 -2.305 8.531 9.217 1.00 0.00 C ATOM 280 O ASN A 97 -2.644 9.654 8.848 1.00 0.00 O ATOM 281 CB ASN A 97 0.149 8.907 9.408 1.00 0.00 C ATOM 282 CG ASN A 97 0.519 8.019 8.227 1.00 0.00 C ATOM 283 OD1 ASN A 97 -0.264 7.027 7.901 1.00 0.00 O flip ATOM 284 ND2 ASN A 97 1.547 8.234 7.584 1.00 0.00 N flip ATOM 0 H ASN A 97 -0.253 6.437 9.798 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.255 8.881 11.045 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.049 9.922 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.984 8.965 10.107 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.157 9.010 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.789 7.636 6.794 1.00 0.00 H new ATOM 291 N GLY A 98 -2.972 7.432 8.875 1.00 0.00 N ATOM 292 CA GLY A 98 -4.160 7.501 8.028 1.00 0.00 C ATOM 293 C GLY A 98 -3.797 7.399 6.549 1.00 0.00 C ATOM 294 O GLY A 98 -4.676 7.367 5.690 1.00 0.00 O ATOM 0 H GLY A 98 -2.713 6.490 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.844 6.695 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.685 8.438 8.211 1.00 0.00 H new ATOM 298 N TYR A 99 -2.499 7.357 6.255 1.00 0.00 N ATOM 299 CA TYR A 99 -2.025 7.264 4.871 1.00 0.00 C ATOM 300 C TYR A 99 -0.982 6.158 4.738 1.00 0.00 C ATOM 301 O TYR A 99 -0.098 6.036 5.584 1.00 0.00 O ATOM 302 CB TYR A 99 -1.394 8.594 4.456 1.00 0.00 C ATOM 303 CG TYR A 99 -2.480 9.622 4.261 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.057 10.247 5.370 1.00 0.00 C ATOM 305 CD2 TYR A 99 -2.914 9.945 2.971 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.070 11.195 5.190 1.00 0.00 C ATOM 307 CE2 TYR A 99 -3.926 10.892 2.790 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.506 11.518 3.900 1.00 0.00 C ATOM 309 OH TYR A 99 -5.505 12.454 3.722 1.00 0.00 O ATOM 0 H TYR A 99 -1.756 7.386 6.953 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.874 7.035 4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.692 8.930 5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.827 8.468 3.534 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.721 9.998 6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.467 9.462 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.516 11.678 6.047 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.261 11.141 1.794 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.687 12.561 2.765 1.00 0.00 H new ATOM 319 N ILE A 100 -1.066 5.359 3.673 1.00 0.00 N ATOM 320 CA ILE A 100 -0.083 4.296 3.477 1.00 0.00 C ATOM 321 C ILE A 100 1.128 4.872 2.743 1.00 0.00 C ATOM 322 O ILE A 100 0.980 5.509 1.693 1.00 0.00 O ATOM 323 CB ILE A 100 -0.669 3.136 2.665 1.00 0.00 C ATOM 324 CG1 ILE A 100 -2.082 2.797 3.168 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.239 1.910 2.818 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.573 1.519 2.481 1.00 0.00 C ATOM 0 H ILE A 100 -1.784 5.424 2.952 1.00 0.00 H new ATOM 0 HA ILE A 100 0.210 3.909 4.453 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.730 3.425 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.072 2.661 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.763 3.621 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.171 1.080 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.237 2.148 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.297 1.629 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.575 1.277 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.598 1.672 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.896 0.697 2.715 1.00 0.00 H new ATOM 338 N SER A 101 2.319 4.654 3.300 1.00 0.00 N ATOM 339 CA SER A 101 3.553 5.168 2.693 1.00 0.00 C ATOM 340 C SER A 101 4.257 4.071 1.901 1.00 0.00 C ATOM 341 O SER A 101 4.075 2.888 2.176 1.00 0.00 O ATOM 342 CB SER A 101 4.492 5.693 3.782 1.00 0.00 C ATOM 343 OG SER A 101 3.781 6.597 4.620 1.00 0.00 O ATOM 0 H SER A 101 2.459 4.130 4.164 1.00 0.00 H new ATOM 0 HA SER A 101 3.291 5.981 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.883 4.864 4.371 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.348 6.195 3.330 1.00 0.00 H new ATOM 0 HG SER A 101 4.256 7.454 4.654 1.00 0.00 H new ATOM 349 N ALA A 102 5.060 4.465 0.917 1.00 0.00 N ATOM 350 CA ALA A 102 5.771 3.480 0.108 1.00 0.00 C ATOM 351 C ALA A 102 6.548 2.523 1.010 1.00 0.00 C ATOM 352 O ALA A 102 6.567 1.317 0.775 1.00 0.00 O ATOM 353 CB ALA A 102 6.733 4.178 -0.857 1.00 0.00 C ATOM 0 H ALA A 102 5.233 5.438 0.664 1.00 0.00 H new ATOM 0 HA ALA A 102 5.041 2.913 -0.470 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.256 3.431 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.171 4.840 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.458 4.761 -0.289 1.00 0.00 H new ATOM 359 N SER A 103 7.179 3.062 2.050 1.00 0.00 N ATOM 360 CA SER A 103 7.939 2.228 2.978 1.00 0.00 C ATOM 361 C SER A 103 7.034 1.190 3.639 1.00 0.00 C ATOM 362 O SER A 103 7.419 0.027 3.774 1.00 0.00 O ATOM 363 CB SER A 103 8.602 3.100 4.047 1.00 0.00 C ATOM 364 OG SER A 103 9.539 3.973 3.428 1.00 0.00 O ATOM 0 H SER A 103 7.180 4.058 2.270 1.00 0.00 H new ATOM 0 HA SER A 103 8.711 1.704 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.847 3.678 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.104 2.473 4.784 1.00 0.00 H new ATOM 0 HG SER A 103 9.964 4.534 4.110 1.00 0.00 H new ATOM 370 N GLU A 104 5.833 1.599 4.045 1.00 0.00 N ATOM 371 CA GLU A 104 4.916 0.679 4.672 1.00 0.00 C ATOM 372 C GLU A 104 4.500 -0.410 3.681 1.00 0.00 C ATOM 373 O GLU A 104 4.350 -1.573 4.055 1.00 0.00 O ATOM 374 CB GLU A 104 3.691 1.440 5.174 1.00 0.00 C ATOM 375 CG GLU A 104 4.088 2.363 6.323 1.00 0.00 C ATOM 376 CD GLU A 104 2.847 3.065 6.860 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.914 3.241 6.096 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.842 3.420 8.028 1.00 0.00 O ATOM 0 H GLU A 104 5.485 2.553 3.948 1.00 0.00 H new ATOM 0 HA GLU A 104 5.409 0.202 5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.256 2.022 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.927 0.738 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.567 1.789 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.815 3.098 5.979 1.00 0.00 H new ATOM 385 N LEU A 105 4.315 -0.035 2.418 1.00 0.00 N ATOM 386 CA LEU A 105 3.923 -1.004 1.400 1.00 0.00 C ATOM 387 C LEU A 105 5.030 -2.049 1.219 1.00 0.00 C ATOM 388 O LEU A 105 4.767 -3.242 1.080 1.00 0.00 O ATOM 389 CB LEU A 105 3.651 -0.280 0.064 1.00 0.00 C ATOM 390 CG LEU A 105 2.621 -1.056 -0.788 1.00 0.00 C ATOM 391 CD1 LEU A 105 3.029 -2.526 -0.919 1.00 0.00 C ATOM 392 CD2 LEU A 105 1.217 -0.969 -0.149 1.00 0.00 C ATOM 0 H LEU A 105 4.428 0.920 2.078 1.00 0.00 H new ATOM 0 HA LEU A 105 3.012 -1.509 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.281 0.726 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.582 -0.174 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 105 2.594 -0.603 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.292 -3.056 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.005 -2.591 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.081 -2.979 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.504 -1.521 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.245 -1.400 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.910 0.075 -0.086 1.00 0.00 H new ATOM 404 N ARG A 106 6.273 -1.591 1.224 1.00 0.00 N ATOM 405 CA ARG A 106 7.396 -2.505 1.054 1.00 0.00 C ATOM 406 C ARG A 106 7.419 -3.523 2.186 1.00 0.00 C ATOM 407 O ARG A 106 7.582 -4.719 1.952 1.00 0.00 O ATOM 408 CB ARG A 106 8.712 -1.727 1.002 1.00 0.00 C ATOM 409 CG ARG A 106 8.782 -0.953 -0.319 1.00 0.00 C ATOM 410 CD ARG A 106 10.185 -0.388 -0.518 1.00 0.00 C ATOM 411 NE ARG A 106 10.461 0.651 0.466 1.00 0.00 N ATOM 412 CZ ARG A 106 10.105 1.911 0.243 1.00 0.00 C ATOM 413 NH1 ARG A 106 9.483 2.219 -0.861 1.00 0.00 N ATOM 414 NH2 ARG A 106 10.370 2.834 1.126 1.00 0.00 N ATOM 0 H ARG A 106 6.529 -0.611 1.342 1.00 0.00 H new ATOM 0 HA ARG A 106 7.276 -3.038 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.776 -1.039 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.557 -2.411 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.524 -1.610 -1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.052 -0.144 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.921 -1.187 -0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.279 0.021 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 106 10.933 0.408 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.273 1.494 -1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.207 3.185 -1.038 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.852 2.589 1.991 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.095 3.801 0.951 1.00 0.00 H new ATOM 428 N HIS A 107 7.245 -3.049 3.414 1.00 0.00 N ATOM 429 CA HIS A 107 7.239 -3.948 4.562 1.00 0.00 C ATOM 430 C HIS A 107 6.151 -4.999 4.388 1.00 0.00 C ATOM 431 O HIS A 107 6.372 -6.182 4.649 1.00 0.00 O ATOM 432 CB HIS A 107 7.004 -3.158 5.852 1.00 0.00 C ATOM 433 CG HIS A 107 7.189 -4.067 7.035 1.00 0.00 C ATOM 434 ND1 HIS A 107 6.282 -4.110 8.082 1.00 0.00 N ATOM 435 CD2 HIS A 107 8.171 -4.973 7.352 1.00 0.00 C ATOM 436 CE1 HIS A 107 6.731 -5.015 8.971 1.00 0.00 C ATOM 437 NE2 HIS A 107 7.879 -5.570 8.575 1.00 0.00 N ATOM 0 H HIS A 107 7.108 -2.064 3.639 1.00 0.00 H new ATOM 0 HA HIS A 107 8.207 -4.444 4.628 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.699 -2.321 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.998 -2.738 5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.038 -5.189 6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.225 -5.262 9.892 1.00 0.00 H new ATOM 0 HE2 HIS A 107 8.425 -6.279 9.064 1.00 0.00 H new ATOM 446 N VAL A 108 4.980 -4.567 3.933 1.00 0.00 N ATOM 447 CA VAL A 108 3.880 -5.495 3.717 1.00 0.00 C ATOM 448 C VAL A 108 4.268 -6.531 2.666 1.00 0.00 C ATOM 449 O VAL A 108 4.052 -7.724 2.852 1.00 0.00 O ATOM 450 CB VAL A 108 2.628 -4.733 3.268 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.518 -5.727 2.915 1.00 0.00 C ATOM 452 CG2 VAL A 108 2.151 -3.824 4.406 1.00 0.00 C ATOM 0 H VAL A 108 4.771 -3.594 3.710 1.00 0.00 H new ATOM 0 HA VAL A 108 3.663 -6.008 4.654 1.00 0.00 H new ATOM 0 HB VAL A 108 2.867 -4.131 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.629 -5.182 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.855 -6.377 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.279 -6.331 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.261 -3.281 4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.914 -4.430 5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.938 -3.114 4.659 1.00 0.00 H new ATOM 462 N MET A 109 4.853 -6.075 1.565 1.00 0.00 N ATOM 463 CA MET A 109 5.254 -6.990 0.504 1.00 0.00 C ATOM 464 C MET A 109 6.216 -8.041 1.054 1.00 0.00 C ATOM 465 O MET A 109 6.111 -9.220 0.721 1.00 0.00 O ATOM 466 CB MET A 109 5.934 -6.207 -0.628 1.00 0.00 C ATOM 467 CG MET A 109 4.871 -5.514 -1.481 1.00 0.00 C ATOM 468 SD MET A 109 5.674 -4.433 -2.689 1.00 0.00 S ATOM 469 CE MET A 109 4.256 -4.239 -3.800 1.00 0.00 C ATOM 0 H MET A 109 5.058 -5.092 1.385 1.00 0.00 H new ATOM 0 HA MET A 109 4.367 -7.490 0.114 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.620 -5.469 -0.212 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.527 -6.881 -1.245 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.259 -6.257 -1.993 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.202 -4.933 -0.846 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.605 -4.195 -4.832 1.00 0.00 H new ATOM 0 HE2 MET A 109 3.582 -5.087 -3.681 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.726 -3.318 -3.556 1.00 0.00 H new ATOM 479 N ILE A 110 7.133 -7.617 1.915 1.00 0.00 N ATOM 480 CA ILE A 110 8.079 -8.554 2.512 1.00 0.00 C ATOM 481 C ILE A 110 7.340 -9.549 3.403 1.00 0.00 C ATOM 482 O ILE A 110 7.615 -10.747 3.378 1.00 0.00 O ATOM 483 CB ILE A 110 9.130 -7.798 3.327 1.00 0.00 C ATOM 484 CG1 ILE A 110 10.003 -6.972 2.379 1.00 0.00 C ATOM 485 CG2 ILE A 110 10.013 -8.797 4.081 1.00 0.00 C ATOM 486 CD1 ILE A 110 10.867 -6.011 3.195 1.00 0.00 C ATOM 0 H ILE A 110 7.242 -6.647 2.212 1.00 0.00 H new ATOM 0 HA ILE A 110 8.582 -9.101 1.714 1.00 0.00 H new ATOM 0 HB ILE A 110 8.633 -7.142 4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.635 -7.630 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.377 -6.414 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.761 -8.256 4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.396 -9.394 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.512 -9.453 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.490 -5.421 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.225 -5.345 3.772 1.00 0.00 H new ATOM 0 HD13 ILE A 110 11.503 -6.580 3.873 1.00 0.00 H new ATOM 498 N ASN A 111 6.395 -9.044 4.191 1.00 0.00 N ATOM 499 CA ASN A 111 5.622 -9.905 5.079 1.00 0.00 C ATOM 500 C ASN A 111 4.827 -10.923 4.271 1.00 0.00 C ATOM 501 O ASN A 111 4.675 -12.073 4.679 1.00 0.00 O ATOM 502 CB ASN A 111 4.675 -9.065 5.945 1.00 0.00 C ATOM 503 CG ASN A 111 3.690 -9.973 6.685 1.00 0.00 C ATOM 504 OD1 ASN A 111 2.484 -9.899 6.453 1.00 0.00 O ATOM 505 ND2 ASN A 111 4.137 -10.836 7.558 1.00 0.00 N ATOM 0 H ASN A 111 6.148 -8.055 4.233 1.00 0.00 H new ATOM 0 HA ASN A 111 6.314 -10.438 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.250 -8.479 6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.130 -8.358 5.320 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.486 -11.449 8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.137 -10.896 7.749 1.00 0.00 H new ATOM 512 N LEU A 112 4.328 -10.496 3.120 1.00 0.00 N ATOM 513 CA LEU A 112 3.556 -11.385 2.261 1.00 0.00 C ATOM 514 C LEU A 112 4.466 -12.368 1.529 1.00 0.00 C ATOM 515 O LEU A 112 3.995 -13.214 0.770 1.00 0.00 O ATOM 516 CB LEU A 112 2.751 -10.566 1.237 1.00 0.00 C ATOM 517 CG LEU A 112 1.342 -10.271 1.769 1.00 0.00 C ATOM 518 CD1 LEU A 112 1.427 -9.436 3.044 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.553 -9.501 0.707 1.00 0.00 C ATOM 0 H LEU A 112 4.442 -9.548 2.761 1.00 0.00 H new ATOM 0 HA LEU A 112 2.871 -11.951 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.268 -9.631 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.683 -11.114 0.297 1.00 0.00 H new ATOM 0 HG LEU A 112 0.839 -11.212 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.422 -9.232 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.988 -9.984 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.932 -8.494 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.449 -9.289 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.063 -8.564 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.483 -10.101 -0.200 1.00 0.00 H new ATOM 531 N GLY A 113 5.759 -12.255 1.756 1.00 0.00 N ATOM 532 CA GLY A 113 6.712 -13.148 1.108 1.00 0.00 C ATOM 533 C GLY A 113 6.986 -12.706 -0.325 1.00 0.00 C ATOM 534 O GLY A 113 7.532 -13.465 -1.125 1.00 0.00 O ATOM 0 H GLY A 113 6.176 -11.562 2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.644 -13.163 1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 113 6.322 -14.166 1.110 1.00 0.00 H new ATOM 538 N GLU A 114 6.606 -11.469 -0.644 1.00 0.00 N ATOM 539 CA GLU A 114 6.816 -10.915 -1.985 1.00 0.00 C ATOM 540 C GLU A 114 7.768 -9.722 -1.911 1.00 0.00 C ATOM 541 O GLU A 114 7.666 -8.897 -1.007 1.00 0.00 O ATOM 542 CB GLU A 114 5.481 -10.454 -2.577 1.00 0.00 C ATOM 543 CG GLU A 114 4.588 -11.663 -2.862 1.00 0.00 C ATOM 544 CD GLU A 114 3.238 -11.193 -3.397 1.00 0.00 C ATOM 545 OE1 GLU A 114 3.074 -9.995 -3.558 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.391 -12.036 -3.639 1.00 0.00 O ATOM 0 H GLU A 114 6.151 -10.830 0.007 1.00 0.00 H new ATOM 0 HA GLU A 114 7.247 -11.689 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.981 -9.778 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.655 -9.896 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.069 -12.319 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.446 -12.245 -1.951 1.00 0.00 H new ATOM 553 N LYS A 115 8.702 -9.634 -2.857 1.00 0.00 N ATOM 554 CA LYS A 115 9.666 -8.525 -2.873 1.00 0.00 C ATOM 555 C LYS A 115 9.876 -8.046 -4.306 1.00 0.00 C ATOM 556 O LYS A 115 10.456 -8.755 -5.126 1.00 0.00 O ATOM 557 CB LYS A 115 11.008 -8.995 -2.293 1.00 0.00 C ATOM 558 CG LYS A 115 11.298 -10.437 -2.763 1.00 0.00 C ATOM 559 CD LYS A 115 10.842 -11.434 -1.697 1.00 0.00 C ATOM 560 CE LYS A 115 11.104 -12.852 -2.188 1.00 0.00 C ATOM 561 NZ LYS A 115 10.649 -13.821 -1.155 1.00 0.00 N ATOM 0 H LYS A 115 8.815 -10.306 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 115 9.276 -7.706 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.808 -8.329 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.979 -8.955 -1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.781 -10.634 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.364 -10.559 -2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.376 -11.256 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 115 9.781 -11.300 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.577 -13.028 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.166 -12.989 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.918 -14.784 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.096 -13.592 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.615 -13.765 -1.058 1.00 0.00 H new ATOM 575 N LEU A 116 9.410 -6.836 -4.602 1.00 0.00 N ATOM 576 CA LEU A 116 9.555 -6.267 -5.943 1.00 0.00 C ATOM 577 C LEU A 116 10.627 -5.186 -5.930 1.00 0.00 C ATOM 578 O LEU A 116 11.069 -4.762 -4.865 1.00 0.00 O ATOM 579 CB LEU A 116 8.223 -5.666 -6.405 1.00 0.00 C ATOM 580 CG LEU A 116 7.182 -6.785 -6.611 1.00 0.00 C ATOM 581 CD1 LEU A 116 6.597 -7.224 -5.261 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.052 -6.267 -7.507 1.00 0.00 C ATOM 0 H LEU A 116 8.930 -6.231 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 116 9.848 -7.058 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.860 -4.953 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.366 -5.116 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 116 7.669 -7.639 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.864 -8.014 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.397 -7.596 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.114 -6.373 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.314 -7.056 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.576 -5.409 -7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.461 -5.967 -8.472 1.00 0.00 H new ATOM 594 N THR A 117 11.050 -4.740 -7.108 1.00 0.00 N ATOM 595 CA THR A 117 12.073 -3.704 -7.176 1.00 0.00 C ATOM 596 C THR A 117 11.465 -2.361 -6.778 1.00 0.00 C ATOM 597 O THR A 117 10.246 -2.203 -6.792 1.00 0.00 O ATOM 598 CB THR A 117 12.641 -3.615 -8.596 1.00 0.00 C ATOM 599 OG1 THR A 117 11.728 -2.915 -9.424 1.00 0.00 O ATOM 600 CG2 THR A 117 12.860 -5.023 -9.152 1.00 0.00 C ATOM 0 H THR A 117 10.709 -5.071 -8.011 1.00 0.00 H new ATOM 0 HA THR A 117 12.881 -3.955 -6.489 1.00 0.00 H new ATOM 0 HB THR A 117 13.593 -3.085 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.090 -2.855 -10.333 1.00 0.00 H new ATOM 0 HG21 THR A 117 13.264 -4.957 -10.162 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.562 -5.561 -8.515 1.00 0.00 H new ATOM 0 HG23 THR A 117 11.910 -5.557 -9.176 1.00 0.00 H new ATOM 608 N ASP A 118 12.307 -1.396 -6.421 1.00 0.00 N ATOM 609 CA ASP A 118 11.802 -0.086 -6.020 1.00 0.00 C ATOM 610 C ASP A 118 11.049 0.574 -7.172 1.00 0.00 C ATOM 611 O ASP A 118 10.007 1.193 -6.969 1.00 0.00 O ATOM 612 CB ASP A 118 12.956 0.814 -5.573 1.00 0.00 C ATOM 613 CG ASP A 118 13.485 0.346 -4.221 1.00 0.00 C ATOM 614 OD1 ASP A 118 12.854 -0.510 -3.624 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.514 0.851 -3.803 1.00 0.00 O ATOM 0 H ASP A 118 13.322 -1.491 -6.401 1.00 0.00 H new ATOM 0 HA ASP A 118 11.115 -0.226 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.755 0.791 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.617 1.847 -5.503 1.00 0.00 H new ATOM 620 N GLU A 119 11.578 0.436 -8.380 1.00 0.00 N ATOM 621 CA GLU A 119 10.934 1.030 -9.545 1.00 0.00 C ATOM 622 C GLU A 119 9.496 0.542 -9.672 1.00 0.00 C ATOM 623 O GLU A 119 8.615 1.295 -10.079 1.00 0.00 O ATOM 624 CB GLU A 119 11.711 0.681 -10.817 1.00 0.00 C ATOM 625 CG GLU A 119 13.069 1.388 -10.790 1.00 0.00 C ATOM 626 CD GLU A 119 13.874 1.024 -12.033 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.386 0.229 -12.821 1.00 0.00 O ATOM 628 OE2 GLU A 119 14.968 1.542 -12.178 1.00 0.00 O ATOM 0 H GLU A 119 12.439 -0.074 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 119 10.928 2.112 -9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.851 -0.398 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.146 0.987 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.925 2.467 -10.744 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.619 1.101 -9.894 1.00 0.00 H new ATOM 635 N GLU A 120 9.252 -0.711 -9.305 1.00 0.00 N ATOM 636 CA GLU A 120 7.900 -1.251 -9.377 1.00 0.00 C ATOM 637 C GLU A 120 7.038 -0.676 -8.256 1.00 0.00 C ATOM 638 O GLU A 120 5.933 -0.191 -8.498 1.00 0.00 O ATOM 639 CB GLU A 120 7.942 -2.777 -9.269 1.00 0.00 C ATOM 640 CG GLU A 120 8.697 -3.355 -10.469 1.00 0.00 C ATOM 641 CD GLU A 120 7.933 -3.070 -11.758 1.00 0.00 C ATOM 642 OE1 GLU A 120 6.751 -2.785 -11.669 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.544 -3.135 -12.811 1.00 0.00 O ATOM 0 H GLU A 120 9.958 -1.361 -8.961 1.00 0.00 H new ATOM 0 HA GLU A 120 7.462 -0.971 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.432 -3.073 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 120 6.929 -3.178 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.694 -2.919 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.825 -4.430 -10.344 1.00 0.00 H new ATOM 650 N VAL A 121 7.555 -0.717 -7.033 1.00 0.00 N ATOM 651 CA VAL A 121 6.816 -0.184 -5.894 1.00 0.00 C ATOM 652 C VAL A 121 6.625 1.322 -6.049 1.00 0.00 C ATOM 653 O VAL A 121 5.533 1.841 -5.826 1.00 0.00 O ATOM 654 CB VAL A 121 7.557 -0.489 -4.588 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.814 0.150 -3.411 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.624 -2.004 -4.383 1.00 0.00 C ATOM 0 H VAL A 121 8.469 -1.108 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 121 5.837 -0.662 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 121 8.566 -0.081 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.344 -0.069 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.765 1.229 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.804 -0.255 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.151 -2.223 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.613 -2.409 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.155 -2.461 -5.218 1.00 0.00 H new ATOM 666 N GLU A 122 7.685 2.024 -6.443 1.00 0.00 N ATOM 667 CA GLU A 122 7.599 3.463 -6.632 1.00 0.00 C ATOM 668 C GLU A 122 6.660 3.789 -7.777 1.00 0.00 C ATOM 669 O GLU A 122 5.862 4.714 -7.671 1.00 0.00 O ATOM 670 CB GLU A 122 8.990 4.039 -6.908 1.00 0.00 C ATOM 671 CG GLU A 122 9.870 3.896 -5.662 1.00 0.00 C ATOM 672 CD GLU A 122 9.336 4.780 -4.541 1.00 0.00 C ATOM 673 OE1 GLU A 122 8.626 5.723 -4.847 1.00 0.00 O ATOM 674 OE2 GLU A 122 9.644 4.503 -3.394 1.00 0.00 O ATOM 0 H GLU A 122 8.603 1.622 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 122 7.205 3.914 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.448 3.519 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.909 5.089 -7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.889 2.856 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 122 10.897 4.175 -5.898 1.00 0.00 H new ATOM 681 N GLN A 123 6.744 3.020 -8.857 1.00 0.00 N ATOM 682 CA GLN A 123 5.872 3.248 -9.998 1.00 0.00 C ATOM 683 C GLN A 123 4.420 2.953 -9.631 1.00 0.00 C ATOM 684 O GLN A 123 3.518 3.705 -9.985 1.00 0.00 O ATOM 685 CB GLN A 123 6.303 2.370 -11.179 1.00 0.00 C ATOM 686 CG GLN A 123 5.355 2.585 -12.362 1.00 0.00 C ATOM 687 CD GLN A 123 5.899 1.879 -13.600 1.00 0.00 C ATOM 688 OE1 GLN A 123 7.072 1.507 -13.639 1.00 0.00 O ATOM 689 NE2 GLN A 123 5.113 1.673 -14.621 1.00 0.00 N ATOM 0 H GLN A 123 7.398 2.245 -8.964 1.00 0.00 H new ATOM 0 HA GLN A 123 5.952 4.296 -10.288 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.324 2.614 -11.471 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.298 1.321 -10.884 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.364 2.200 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.243 3.651 -12.560 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.141 1.982 -14.587 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.470 1.203 -15.453 1.00 0.00 H new ATOM 698 N MET A 124 4.194 1.863 -8.914 1.00 0.00 N ATOM 699 CA MET A 124 2.851 1.510 -8.503 1.00 0.00 C ATOM 700 C MET A 124 2.315 2.539 -7.514 1.00 0.00 C ATOM 701 O MET A 124 1.156 2.942 -7.588 1.00 0.00 O ATOM 702 CB MET A 124 2.862 0.120 -7.865 1.00 0.00 C ATOM 703 CG MET A 124 1.440 -0.277 -7.496 1.00 0.00 C ATOM 704 SD MET A 124 1.408 -2.005 -6.950 1.00 0.00 S ATOM 705 CE MET A 124 2.137 -1.752 -5.313 1.00 0.00 C ATOM 0 H MET A 124 4.919 1.214 -8.608 1.00 0.00 H new ATOM 0 HA MET A 124 2.200 1.499 -9.377 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.286 -0.607 -8.558 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.494 0.120 -6.977 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.065 0.371 -6.704 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.781 -0.145 -8.354 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.807 -2.544 -4.641 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.224 -1.773 -5.392 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.820 -0.786 -4.919 1.00 0.00 H new ATOM 715 N ILE A 125 3.168 2.975 -6.592 1.00 0.00 N ATOM 716 CA ILE A 125 2.746 3.962 -5.609 1.00 0.00 C ATOM 717 C ILE A 125 2.328 5.250 -6.316 1.00 0.00 C ATOM 718 O ILE A 125 1.174 5.670 -6.245 1.00 0.00 O ATOM 719 CB ILE A 125 3.912 4.251 -4.639 1.00 0.00 C ATOM 720 CG1 ILE A 125 4.033 3.106 -3.606 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.687 5.593 -3.922 1.00 0.00 C ATOM 722 CD1 ILE A 125 3.077 3.325 -2.426 1.00 0.00 C ATOM 0 H ILE A 125 4.137 2.667 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 125 1.896 3.574 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 125 4.839 4.313 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 125 3.811 2.153 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.059 3.047 -3.241 1.00 0.00 H new ATOM 0 HG21 ILE A 125 4.516 5.785 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.630 6.394 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.756 5.552 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.183 2.506 -1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.318 4.267 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.050 3.359 -2.791 1.00 0.00 H new ATOM 734 N LYS A 126 3.288 5.879 -6.979 1.00 0.00 N ATOM 735 CA LYS A 126 3.016 7.130 -7.670 1.00 0.00 C ATOM 736 C LYS A 126 1.831 6.976 -8.610 1.00 0.00 C ATOM 737 O LYS A 126 1.016 7.885 -8.759 1.00 0.00 O ATOM 738 CB LYS A 126 4.247 7.557 -8.454 1.00 0.00 C ATOM 739 CG LYS A 126 4.473 6.620 -9.622 1.00 0.00 C ATOM 740 CD LYS A 126 5.811 6.937 -10.301 1.00 0.00 C ATOM 741 CE LYS A 126 5.858 8.421 -10.675 1.00 0.00 C ATOM 742 NZ LYS A 126 6.858 8.632 -11.749 1.00 0.00 N ATOM 0 H LYS A 126 4.250 5.549 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 126 2.772 7.893 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.121 8.577 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.121 7.555 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 126 4.468 5.587 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 126 3.659 6.719 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 126 6.636 6.694 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.932 6.323 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.875 8.753 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.117 9.019 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.889 9.640 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.795 8.330 -11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.592 8.073 -12.585 1.00 0.00 H new ATOM 756 N GLU A 127 1.749 5.817 -9.238 1.00 0.00 N ATOM 757 CA GLU A 127 0.655 5.537 -10.167 1.00 0.00 C ATOM 758 C GLU A 127 -0.642 5.301 -9.413 1.00 0.00 C ATOM 759 O GLU A 127 -1.725 5.650 -9.884 1.00 0.00 O ATOM 760 CB GLU A 127 0.980 4.313 -11.003 1.00 0.00 C ATOM 761 CG GLU A 127 -0.108 4.104 -12.059 1.00 0.00 C ATOM 762 CD GLU A 127 0.254 2.925 -12.957 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.162 2.191 -12.600 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.383 2.772 -13.986 1.00 0.00 O ATOM 0 H GLU A 127 2.419 5.056 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 127 0.533 6.402 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.949 4.438 -11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.053 3.433 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.067 3.921 -11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.222 5.007 -12.659 1.00 0.00 H new ATOM 771 N ALA A 128 -0.526 4.694 -8.247 1.00 0.00 N ATOM 772 CA ALA A 128 -1.708 4.401 -7.433 1.00 0.00 C ATOM 773 C ALA A 128 -2.326 5.679 -6.882 1.00 0.00 C ATOM 774 O ALA A 128 -3.537 5.760 -6.693 1.00 0.00 O ATOM 775 CB ALA A 128 -1.353 3.476 -6.271 1.00 0.00 C ATOM 0 H ALA A 128 0.360 4.394 -7.839 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.432 3.906 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.247 3.273 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.955 2.539 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.604 3.955 -5.641 1.00 0.00 H new ATOM 781 N ASP A 129 -1.490 6.667 -6.612 1.00 0.00 N ATOM 782 CA ASP A 129 -1.973 7.926 -6.062 1.00 0.00 C ATOM 783 C ASP A 129 -2.658 8.772 -7.113 1.00 0.00 C ATOM 784 O ASP A 129 -2.068 9.118 -8.134 1.00 0.00 O ATOM 785 CB ASP A 129 -0.819 8.715 -5.472 1.00 0.00 C ATOM 786 CG ASP A 129 -1.343 9.913 -4.694 1.00 0.00 C ATOM 787 OD1 ASP A 129 -2.159 9.711 -3.812 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.915 11.011 -4.988 1.00 0.00 O ATOM 0 H ASP A 129 -0.482 6.625 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.699 7.682 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -0.230 8.075 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.155 9.052 -6.268 1.00 0.00 H new ATOM 793 N LEU A 130 -3.915 9.104 -6.858 1.00 0.00 N ATOM 794 CA LEU A 130 -4.680 9.917 -7.794 1.00 0.00 C ATOM 795 C LEU A 130 -4.464 11.407 -7.551 1.00 0.00 C ATOM 796 O LEU A 130 -4.645 12.224 -8.453 1.00 0.00 O ATOM 797 CB LEU A 130 -6.175 9.593 -7.685 1.00 0.00 C ATOM 798 CG LEU A 130 -6.928 10.128 -8.921 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.764 9.167 -10.108 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.419 10.267 -8.589 1.00 0.00 C ATOM 0 H LEU A 130 -4.424 8.826 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.326 9.678 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.316 8.515 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.586 10.038 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.512 11.099 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.301 9.560 -10.971 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.706 9.069 -10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -7.168 8.190 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.952 10.645 -9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.822 9.293 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.544 10.962 -7.758 1.00 0.00 H new ATOM 812 N ASP A 131 -4.094 11.767 -6.326 1.00 0.00 N ATOM 813 CA ASP A 131 -3.882 13.174 -5.982 1.00 0.00 C ATOM 814 C ASP A 131 -2.407 13.548 -6.023 1.00 0.00 C ATOM 815 O ASP A 131 -2.025 14.619 -5.557 1.00 0.00 O ATOM 816 CB ASP A 131 -4.433 13.452 -4.584 1.00 0.00 C ATOM 817 CG ASP A 131 -3.807 12.497 -3.575 1.00 0.00 C ATOM 818 OD1 ASP A 131 -2.733 11.998 -3.854 1.00 0.00 O ATOM 819 OD2 ASP A 131 -4.416 12.276 -2.542 1.00 0.00 O ATOM 0 H ASP A 131 -3.935 11.113 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.407 13.778 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -4.222 14.483 -4.300 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.517 13.336 -4.582 1.00 0.00 H new ATOM 824 N GLY A 132 -1.578 12.679 -6.581 1.00 0.00 N ATOM 825 CA GLY A 132 -0.151 12.969 -6.663 1.00 0.00 C ATOM 826 C GLY A 132 0.383 13.507 -5.334 1.00 0.00 C ATOM 827 O GLY A 132 1.404 14.194 -5.305 1.00 0.00 O ATOM 0 H GLY A 132 -1.859 11.782 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.391 12.064 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.029 13.699 -7.452 1.00 0.00 H new ATOM 831 N ASP A 133 -0.300 13.192 -4.235 1.00 0.00 N ATOM 832 CA ASP A 133 0.139 13.654 -2.922 1.00 0.00 C ATOM 833 C ASP A 133 1.399 12.908 -2.490 1.00 0.00 C ATOM 834 O ASP A 133 2.106 13.336 -1.580 1.00 0.00 O ATOM 835 CB ASP A 133 -0.963 13.435 -1.887 1.00 0.00 C ATOM 836 CG ASP A 133 -1.179 11.942 -1.676 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.636 11.171 -2.450 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.875 11.592 -0.738 1.00 0.00 O ATOM 0 H ASP A 133 -1.149 12.626 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 133 0.360 14.719 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.690 13.910 -0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.889 13.902 -2.223 1.00 0.00 H new ATOM 843 N GLY A 134 1.674 11.789 -3.153 1.00 0.00 N ATOM 844 CA GLY A 134 2.853 10.988 -2.842 1.00 0.00 C ATOM 845 C GLY A 134 2.494 9.885 -1.870 1.00 0.00 C ATOM 846 O GLY A 134 3.322 9.039 -1.535 1.00 0.00 O ATOM 0 H GLY A 134 1.098 11.417 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.261 10.558 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.630 11.622 -2.414 1.00 0.00 H new ATOM 850 N GLN A 135 1.251 9.909 -1.403 1.00 0.00 N ATOM 851 CA GLN A 135 0.774 8.928 -0.447 1.00 0.00 C ATOM 852 C GLN A 135 -0.443 8.198 -0.989 1.00 0.00 C ATOM 853 O GLN A 135 -1.301 8.796 -1.635 1.00 0.00 O ATOM 854 CB GLN A 135 0.393 9.660 0.841 1.00 0.00 C ATOM 855 CG GLN A 135 1.634 9.914 1.699 1.00 0.00 C ATOM 856 CD GLN A 135 2.173 8.595 2.246 1.00 0.00 C ATOM 857 OE1 GLN A 135 1.396 7.697 2.573 1.00 0.00 O ATOM 858 NE2 GLN A 135 3.461 8.424 2.370 1.00 0.00 N ATOM 0 H GLN A 135 0.555 10.603 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 135 1.558 8.195 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -0.089 10.607 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.330 9.068 1.403 1.00 0.00 H new ATOM 0 HG2 GLN A 135 2.401 10.411 1.105 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.385 10.584 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 135 4.103 9.169 2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 135 3.826 7.545 2.738 1.00 0.00 H new ATOM 867 N VAL A 136 -0.531 6.905 -0.701 1.00 0.00 N ATOM 868 CA VAL A 136 -1.678 6.127 -1.149 1.00 0.00 C ATOM 869 C VAL A 136 -2.782 6.250 -0.104 1.00 0.00 C ATOM 870 O VAL A 136 -2.619 5.793 1.027 1.00 0.00 O ATOM 871 CB VAL A 136 -1.278 4.653 -1.331 1.00 0.00 C ATOM 872 CG1 VAL A 136 -2.531 3.770 -1.401 1.00 0.00 C ATOM 873 CG2 VAL A 136 -0.494 4.501 -2.637 1.00 0.00 C ATOM 0 H VAL A 136 0.164 6.381 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 136 -2.033 6.504 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.665 4.345 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -2.236 2.729 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.101 3.874 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -3.147 4.079 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.208 3.458 -2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.117 4.817 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.402 5.120 -2.598 1.00 0.00 H new ATOM 883 N ASN A 137 -3.909 6.856 -0.479 1.00 0.00 N ATOM 884 CA ASN A 137 -5.031 7.008 0.454 1.00 0.00 C ATOM 885 C ASN A 137 -5.991 5.828 0.320 1.00 0.00 C ATOM 886 O ASN A 137 -5.862 5.017 -0.597 1.00 0.00 O ATOM 887 CB ASN A 137 -5.775 8.319 0.178 1.00 0.00 C ATOM 888 CG ASN A 137 -6.942 8.481 1.148 1.00 0.00 C ATOM 889 OD1 ASN A 137 -6.778 8.301 2.355 1.00 0.00 O ATOM 890 ND2 ASN A 137 -8.116 8.820 0.688 1.00 0.00 N ATOM 0 H ASN A 137 -4.071 7.245 -1.408 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.638 7.031 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -5.091 9.161 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -6.143 8.327 -0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.901 8.937 1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -8.248 8.968 -0.312 1.00 0.00 H new ATOM 897 N TYR A 138 -6.939 5.718 1.242 1.00 0.00 N ATOM 898 CA TYR A 138 -7.885 4.607 1.210 1.00 0.00 C ATOM 899 C TYR A 138 -8.515 4.460 -0.175 1.00 0.00 C ATOM 900 O TYR A 138 -8.555 3.360 -0.721 1.00 0.00 O ATOM 901 CB TYR A 138 -8.989 4.836 2.242 1.00 0.00 C ATOM 902 CG TYR A 138 -9.958 3.677 2.204 1.00 0.00 C ATOM 903 CD1 TYR A 138 -9.633 2.473 2.844 1.00 0.00 C ATOM 904 CD2 TYR A 138 -11.176 3.805 1.533 1.00 0.00 C ATOM 905 CE1 TYR A 138 -10.531 1.401 2.812 1.00 0.00 C ATOM 906 CE2 TYR A 138 -12.075 2.733 1.499 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.753 1.531 2.139 1.00 0.00 C ATOM 908 OH TYR A 138 -12.640 0.473 2.109 1.00 0.00 O ATOM 0 H TYR A 138 -7.074 6.374 2.012 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.340 3.693 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.557 4.931 3.238 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.512 5.769 2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -8.690 2.373 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -11.425 4.733 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -10.282 0.473 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -13.016 2.833 0.979 1.00 0.00 H new ATOM 0 HH TYR A 138 -13.503 0.779 1.760 1.00 0.00 H new ATOM 918 N GLU A 139 -9.013 5.560 -0.744 1.00 0.00 N ATOM 919 CA GLU A 139 -9.643 5.505 -2.055 1.00 0.00 C ATOM 920 C GLU A 139 -8.671 4.960 -3.102 1.00 0.00 C ATOM 921 O GLU A 139 -9.045 4.165 -3.960 1.00 0.00 O ATOM 922 CB GLU A 139 -10.133 6.901 -2.448 1.00 0.00 C ATOM 923 CG GLU A 139 -8.971 7.740 -2.979 1.00 0.00 C ATOM 924 CD GLU A 139 -9.357 9.210 -3.013 1.00 0.00 C ATOM 925 OE1 GLU A 139 -10.515 9.489 -3.262 1.00 0.00 O ATOM 926 OE2 GLU A 139 -8.486 10.034 -2.789 1.00 0.00 O ATOM 0 H GLU A 139 -8.991 6.487 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.496 4.828 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -10.910 6.821 -3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -10.581 7.393 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.094 7.601 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.698 7.405 -3.980 1.00 0.00 H new ATOM 933 N GLU A 140 -7.426 5.398 -3.045 1.00 0.00 N ATOM 934 CA GLU A 140 -6.445 4.922 -3.998 1.00 0.00 C ATOM 935 C GLU A 140 -6.114 3.466 -3.704 1.00 0.00 C ATOM 936 O GLU A 140 -5.936 2.670 -4.621 1.00 0.00 O ATOM 937 CB GLU A 140 -5.186 5.779 -3.931 1.00 0.00 C ATOM 938 CG GLU A 140 -5.527 7.218 -4.363 1.00 0.00 C ATOM 939 CD GLU A 140 -4.555 8.216 -3.757 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.616 7.786 -3.115 1.00 0.00 O ATOM 941 OE2 GLU A 140 -4.765 9.401 -3.951 1.00 0.00 O ATOM 0 H GLU A 140 -7.077 6.070 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.856 4.996 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.784 5.777 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.415 5.365 -4.581 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -5.498 7.291 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.543 7.462 -4.054 1.00 0.00 H new ATOM 948 N PHE A 141 -6.027 3.119 -2.420 1.00 0.00 N ATOM 949 CA PHE A 141 -5.711 1.746 -2.056 1.00 0.00 C ATOM 950 C PHE A 141 -6.790 0.803 -2.566 1.00 0.00 C ATOM 951 O PHE A 141 -6.504 -0.147 -3.296 1.00 0.00 O ATOM 952 CB PHE A 141 -5.605 1.624 -0.530 1.00 0.00 C ATOM 953 CG PHE A 141 -5.143 0.234 -0.154 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.806 -0.135 -0.347 1.00 0.00 C ATOM 955 CD2 PHE A 141 -6.049 -0.684 0.397 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.374 -1.419 0.010 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.616 -1.967 0.753 1.00 0.00 C ATOM 958 CZ PHE A 141 -4.279 -2.335 0.559 1.00 0.00 C ATOM 0 H PHE A 141 -6.168 3.755 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.758 1.475 -2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.905 2.366 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.572 1.831 -0.072 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.107 0.571 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.081 -0.401 0.547 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.342 -1.702 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.314 -2.673 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.946 -3.325 0.833 1.00 0.00 H new ATOM 968 N VAL A 142 -8.033 1.074 -2.184 1.00 0.00 N ATOM 969 CA VAL A 142 -9.140 0.232 -2.611 1.00 0.00 C ATOM 970 C VAL A 142 -9.202 0.204 -4.126 1.00 0.00 C ATOM 971 O VAL A 142 -9.414 -0.848 -4.732 1.00 0.00 O ATOM 972 CB VAL A 142 -10.459 0.758 -2.033 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.750 2.136 -2.607 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.601 -0.197 -2.386 1.00 0.00 C ATOM 0 H VAL A 142 -8.296 1.859 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.983 -0.782 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.374 0.825 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.688 2.511 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.941 2.818 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.830 2.069 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.535 0.184 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.689 -0.274 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.394 -1.182 -1.968 1.00 0.00 H new ATOM 984 N LYS A 143 -8.993 1.362 -4.736 1.00 0.00 N ATOM 985 CA LYS A 143 -9.011 1.454 -6.179 1.00 0.00 C ATOM 986 C LYS A 143 -7.906 0.582 -6.769 1.00 0.00 C ATOM 987 O LYS A 143 -8.148 -0.228 -7.663 1.00 0.00 O ATOM 988 CB LYS A 143 -8.799 2.912 -6.576 1.00 0.00 C ATOM 989 CG LYS A 143 -8.855 3.072 -8.099 1.00 0.00 C ATOM 990 CD LYS A 143 -10.277 2.781 -8.600 1.00 0.00 C ATOM 991 CE LYS A 143 -10.459 3.364 -9.997 1.00 0.00 C ATOM 992 NZ LYS A 143 -9.557 2.659 -10.951 1.00 0.00 N ATOM 0 H LYS A 143 -8.811 2.242 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.969 1.103 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.563 3.535 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.835 3.259 -6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.561 4.084 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -8.147 2.392 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -10.453 1.706 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -11.009 3.212 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -11.496 3.258 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -10.236 4.431 -9.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -9.820 2.908 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -8.573 2.945 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.648 1.631 -10.819 1.00 0.00 H new ATOM 1006 N MET A 144 -6.698 0.742 -6.246 1.00 0.00 N ATOM 1007 CA MET A 144 -5.562 -0.051 -6.711 1.00 0.00 C ATOM 1008 C MET A 144 -5.840 -1.517 -6.446 1.00 0.00 C ATOM 1009 O MET A 144 -5.483 -2.392 -7.232 1.00 0.00 O ATOM 1010 CB MET A 144 -4.286 0.356 -5.962 1.00 0.00 C ATOM 1011 CG MET A 144 -3.035 0.034 -6.801 1.00 0.00 C ATOM 1012 SD MET A 144 -2.780 -1.759 -6.858 1.00 0.00 S ATOM 1013 CE MET A 144 -2.267 -1.993 -5.133 1.00 0.00 C ATOM 0 H MET A 144 -6.477 1.408 -5.505 1.00 0.00 H new ATOM 0 HA MET A 144 -5.421 0.122 -7.778 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.315 1.422 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.235 -0.169 -5.008 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.152 0.426 -7.811 1.00 0.00 H new ATOM 0 HG3 MET A 144 -2.161 0.521 -6.369 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.386 -2.634 -5.099 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.030 -1.026 -4.690 1.00 0.00 H new ATOM 0 HE3 MET A 144 -3.077 -2.460 -4.573 1.00 0.00 H new ATOM 1023 N MET A 145 -6.480 -1.769 -5.320 1.00 0.00 N ATOM 1024 CA MET A 145 -6.802 -3.135 -4.946 1.00 0.00 C ATOM 1025 C MET A 145 -7.785 -3.721 -5.952 1.00 0.00 C ATOM 1026 O MET A 145 -7.683 -4.889 -6.322 1.00 0.00 O ATOM 1027 CB MET A 145 -7.393 -3.189 -3.532 1.00 0.00 C ATOM 1028 CG MET A 145 -7.652 -4.648 -3.130 1.00 0.00 C ATOM 1029 SD MET A 145 -6.080 -5.546 -3.047 1.00 0.00 S ATOM 1030 CE MET A 145 -5.700 -5.196 -1.313 1.00 0.00 C ATOM 0 H MET A 145 -6.784 -1.057 -4.656 1.00 0.00 H new ATOM 0 HA MET A 145 -5.886 -3.725 -4.951 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.707 -2.724 -2.824 1.00 0.00 H new ATOM 0 HB3 MET A 145 -8.323 -2.622 -3.495 1.00 0.00 H new ATOM 0 HG2 MET A 145 -8.155 -4.685 -2.164 1.00 0.00 H new ATOM 0 HG3 MET A 145 -8.315 -5.122 -3.853 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.620 -5.202 -1.169 1.00 0.00 H new ATOM 0 HE2 MET A 145 -6.096 -4.217 -1.044 1.00 0.00 H new ATOM 0 HE3 MET A 145 -6.155 -5.958 -0.680 1.00 0.00 H new ATOM 1040 N MET A 146 -8.729 -2.902 -6.401 1.00 0.00 N ATOM 1041 CA MET A 146 -9.712 -3.356 -7.373 1.00 0.00 C ATOM 1042 C MET A 146 -9.021 -3.714 -8.682 1.00 0.00 C ATOM 1043 O MET A 146 -9.373 -4.700 -9.330 1.00 0.00 O ATOM 1044 CB MET A 146 -10.761 -2.264 -7.615 1.00 0.00 C ATOM 1045 CG MET A 146 -11.747 -2.222 -6.443 1.00 0.00 C ATOM 1046 SD MET A 146 -12.750 -3.732 -6.422 1.00 0.00 S ATOM 1047 CE MET A 146 -13.980 -3.210 -7.644 1.00 0.00 C ATOM 0 H MET A 146 -8.833 -1.930 -6.110 1.00 0.00 H new ATOM 0 HA MET A 146 -10.212 -4.242 -6.981 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.272 -1.296 -7.726 1.00 0.00 H new ATOM 0 HB3 MET A 146 -11.295 -2.460 -8.545 1.00 0.00 H new ATOM 0 HG2 MET A 146 -11.204 -2.123 -5.503 1.00 0.00 H new ATOM 0 HG3 MET A 146 -12.392 -1.348 -6.531 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.795 -3.933 -7.672 1.00 0.00 H new ATOM 0 HE2 MET A 146 -14.373 -2.231 -7.370 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.514 -3.151 -8.627 1.00 0.00 H new ATOM 1057 N THR A 147 -8.035 -2.909 -9.062 1.00 0.00 N ATOM 1058 CA THR A 147 -7.299 -3.153 -10.298 1.00 0.00 C ATOM 1059 C THR A 147 -6.881 -4.618 -10.390 1.00 0.00 C ATOM 1060 O THR A 147 -6.487 -5.095 -11.454 1.00 0.00 O ATOM 1061 CB THR A 147 -6.057 -2.256 -10.354 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.445 -0.901 -10.176 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.359 -2.414 -11.708 1.00 0.00 C ATOM 0 H THR A 147 -7.729 -2.089 -8.538 1.00 0.00 H new ATOM 0 HA THR A 147 -7.950 -2.920 -11.141 1.00 0.00 H new ATOM 0 HB THR A 147 -5.368 -2.547 -9.561 1.00 0.00 H new ATOM 0 HG1 THR A 147 -5.652 -0.326 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.478 -1.773 -11.740 1.00 0.00 H new ATOM 0 HG22 THR A 147 -5.058 -3.453 -11.843 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.044 -2.128 -12.506 1.00 0.00 H new ATOM 1071 N VAL A 148 -6.973 -5.325 -9.269 1.00 0.00 N ATOM 1072 CA VAL A 148 -6.605 -6.734 -9.235 1.00 0.00 C ATOM 1073 C VAL A 148 -7.704 -7.590 -9.864 1.00 0.00 C ATOM 1074 O VAL A 148 -7.559 -8.805 -10.003 1.00 0.00 O ATOM 1075 CB VAL A 148 -6.356 -7.171 -7.784 1.00 0.00 C ATOM 1076 CG1 VAL A 148 -5.853 -8.619 -7.751 1.00 0.00 C ATOM 1077 CG2 VAL A 148 -5.301 -6.254 -7.155 1.00 0.00 C ATOM 0 H VAL A 148 -7.297 -4.948 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 148 -5.690 -6.873 -9.811 1.00 0.00 H new ATOM 0 HB VAL A 148 -7.289 -7.104 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -5.679 -8.920 -6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -6.600 -9.274 -8.199 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -4.922 -8.694 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.121 -6.560 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.373 -6.324 -7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.658 -5.224 -7.170 1.00 0.00 H new ATOM 1087 N ARG A 149 -8.798 -6.951 -10.259 1.00 0.00 N ATOM 1088 CA ARG A 149 -9.898 -7.677 -10.880 1.00 0.00 C ATOM 1089 C ARG A 149 -9.391 -8.494 -12.068 1.00 0.00 C ATOM 1090 O ARG A 149 -9.479 -9.708 -12.006 1.00 0.00 O ATOM 1091 CB ARG A 149 -10.989 -6.692 -11.349 1.00 0.00 C ATOM 1092 CG ARG A 149 -12.377 -7.330 -11.201 1.00 0.00 C ATOM 1093 CD ARG A 149 -12.460 -8.578 -12.081 1.00 0.00 C ATOM 1094 NE ARG A 149 -12.070 -8.258 -13.449 1.00 0.00 N ATOM 1095 CZ ARG A 149 -12.043 -9.196 -14.387 1.00 0.00 C ATOM 1096 NH1 ARG A 149 -12.369 -10.422 -14.083 1.00 0.00 N ATOM 1097 NH2 ARG A 149 -11.694 -8.893 -15.607 1.00 0.00 N ATOM 1098 OXT ARG A 149 -8.937 -7.889 -13.025 1.00 0.00 O ATOM 0 H ARG A 149 -8.947 -5.947 -10.163 1.00 0.00 H new ATOM 0 HA ARG A 149 -10.326 -8.355 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 149 -10.938 -5.775 -10.762 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -10.817 -6.415 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 149 -12.559 -7.594 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 149 -13.150 -6.617 -11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -11.809 -9.356 -11.683 1.00 0.00 H new ATOM 0 HD3 ARG A 149 -13.476 -8.974 -12.068 1.00 0.00 H new ATOM 0 HE ARG A 149 -11.814 -7.300 -13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 149 -12.643 -10.655 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 149 -12.350 -11.147 -14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 149 -11.441 -7.933 -15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 149 -11.674 -9.616 -16.326 1.00 0.00 H new TER 1112 ARG A 149 HETATM 1113 CA CA A 221 2.736 5.070 7.493 1.00 0.00 CA HETATM 1114 CA CA A 234 -3.134 10.171 -0.655 1.00 0.00 CA