USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 ASN : amide:sc= 0 X(o=0,f=0.0052) USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.621 USER MOD Set 2.2: A 50 SER OG : rot 8:sc= 0.59 USER MOD Single : A 10 THR OG1 : rot 111:sc= 0.409 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0403 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -49:sc= 1.08 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= 0.0929 (180deg=0.02) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 1.76 K(o=1.8,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.11) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 152:sc= -2.53 (180deg=-6.6!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.796 K(o=0.8,f=-5.3!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.103 USER MOD Single : A 80 HIS : no HD1:sc= -0.345 X(o=-0.34,f=-0.21) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 82 HIS : no HE2:sc= -0.105 K(o=-0.11,f=-1.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 91 SER OG : rot 88:sc= 1.31 USER MOD Single : A 96 GLN : amide:sc= -0.0863 K(o=-0.086,f=-1.9) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 115:sc= 0.565 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.371 USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 9 9.795 -13.557 -4.390 1.00 0.00 N ATOM 86 CA PHE A 9 8.419 -13.102 -4.210 1.00 0.00 C ATOM 87 C PHE A 9 7.680 -14.001 -3.199 1.00 0.00 C ATOM 88 O PHE A 9 8.262 -14.967 -2.695 1.00 0.00 O ATOM 89 CB PHE A 9 7.751 -13.095 -5.590 1.00 0.00 C ATOM 90 CG PHE A 9 6.297 -12.685 -5.576 1.00 0.00 C ATOM 91 CD1 PHE A 9 5.937 -11.339 -5.369 1.00 0.00 C ATOM 92 CD2 PHE A 9 5.297 -13.674 -5.638 1.00 0.00 C ATOM 93 CE1 PHE A 9 4.583 -10.988 -5.219 1.00 0.00 C ATOM 94 CE2 PHE A 9 3.955 -13.297 -5.606 1.00 0.00 C ATOM 95 CZ PHE A 9 3.597 -11.981 -5.348 1.00 0.00 C ATOM 0 HA PHE A 9 8.388 -12.095 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.301 -12.418 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.831 -14.092 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.701 -10.576 -5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 9 5.567 -14.717 -5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.304 -9.966 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.187 -14.036 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.554 -11.719 -5.246 1.00 0.00 H new ATOM 105 N THR A 10 6.408 -13.713 -2.903 1.00 0.00 N ATOM 106 CA THR A 10 5.540 -14.490 -2.035 1.00 0.00 C ATOM 107 C THR A 10 4.567 -15.330 -2.870 1.00 0.00 C ATOM 108 O THR A 10 5.016 -16.314 -3.460 1.00 0.00 O ATOM 109 CB THR A 10 4.941 -13.541 -0.973 1.00 0.00 C ATOM 110 OG1 THR A 10 6.004 -12.954 -0.250 1.00 0.00 O ATOM 111 CG2 THR A 10 4.054 -14.235 0.058 1.00 0.00 C ATOM 0 H THR A 10 5.941 -12.891 -3.285 1.00 0.00 H new ATOM 0 HA THR A 10 6.075 -15.247 -1.462 1.00 0.00 H new ATOM 0 HB THR A 10 4.328 -12.825 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.059 -12.000 -0.467 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.674 -13.498 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.217 -14.717 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.636 -14.986 0.593 1.00 0.00 H new ATOM 119 N ARG A 11 3.287 -14.933 -2.913 1.00 0.00 N ATOM 120 CA ARG A 11 2.076 -15.463 -3.561 1.00 0.00 C ATOM 121 C ARG A 11 0.878 -15.366 -2.621 1.00 0.00 C ATOM 122 O ARG A 11 -0.154 -14.853 -3.037 1.00 0.00 O ATOM 123 CB ARG A 11 2.203 -16.893 -4.117 1.00 0.00 C ATOM 124 CG ARG A 11 2.900 -16.914 -5.487 1.00 0.00 C ATOM 125 CD ARG A 11 3.837 -18.127 -5.645 1.00 0.00 C ATOM 126 NE ARG A 11 3.253 -19.232 -6.425 1.00 0.00 N ATOM 127 CZ ARG A 11 3.370 -19.394 -7.748 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.865 -18.435 -8.518 1.00 0.00 N ATOM 129 NH2 ARG A 11 3.002 -20.545 -8.288 1.00 0.00 N ATOM 0 H ARG A 11 3.038 -14.085 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 11 1.925 -14.828 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.765 -17.508 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.212 -17.337 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.147 -16.933 -6.275 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.473 -15.996 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.759 -17.802 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.108 -18.496 -4.656 1.00 0.00 H new ATOM 0 HE ARG A 11 2.715 -19.932 -5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.165 -17.553 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.945 -18.580 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.636 -21.292 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.084 -20.685 -9.295 1.00 0.00 H new ATOM 143 N ASP A 12 1.001 -15.807 -1.366 1.00 0.00 N ATOM 144 CA ASP A 12 -0.153 -16.057 -0.477 1.00 0.00 C ATOM 145 C ASP A 12 -0.084 -15.270 0.841 1.00 0.00 C ATOM 146 O ASP A 12 -0.720 -15.639 1.827 1.00 0.00 O ATOM 147 CB ASP A 12 -0.267 -17.566 -0.203 1.00 0.00 C ATOM 148 CG ASP A 12 -1.711 -18.065 -0.021 1.00 0.00 C ATOM 149 OD1 ASP A 12 -2.621 -17.316 0.396 1.00 0.00 O ATOM 150 OD2 ASP A 12 -1.972 -19.230 -0.397 1.00 0.00 O ATOM 0 H ASP A 12 1.902 -16.003 -0.931 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.045 -15.701 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.192 -18.110 -1.028 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.304 -17.806 0.694 1.00 0.00 H new ATOM 155 N ALA A 13 0.756 -14.227 0.897 1.00 0.00 N ATOM 156 CA ALA A 13 1.073 -13.360 2.034 1.00 0.00 C ATOM 157 C ALA A 13 1.645 -14.082 3.270 1.00 0.00 C ATOM 158 O ALA A 13 2.184 -13.431 4.160 1.00 0.00 O ATOM 159 CB ALA A 13 -0.131 -12.471 2.368 1.00 0.00 C ATOM 0 H ALA A 13 1.278 -13.945 0.068 1.00 0.00 H new ATOM 0 HA ALA A 13 1.902 -12.728 1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.114 -11.830 3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.378 -11.853 1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.986 -13.097 2.623 1.00 0.00 H new ATOM 165 N SER A 14 1.617 -15.412 3.337 1.00 0.00 N ATOM 166 CA SER A 14 1.991 -16.128 4.545 1.00 0.00 C ATOM 167 C SER A 14 3.505 -16.184 4.786 1.00 0.00 C ATOM 168 O SER A 14 3.925 -16.467 5.912 1.00 0.00 O ATOM 169 CB SER A 14 1.321 -17.506 4.542 1.00 0.00 C ATOM 170 OG SER A 14 1.415 -18.140 3.273 1.00 0.00 O ATOM 0 H SER A 14 1.337 -16.014 2.562 1.00 0.00 H new ATOM 0 HA SER A 14 1.620 -15.566 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.787 -18.138 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.272 -17.400 4.818 1.00 0.00 H new ATOM 0 HG SER A 14 0.978 -19.016 3.312 1.00 0.00 H new ATOM 176 N GLN A 15 4.322 -15.887 3.766 1.00 0.00 N ATOM 177 CA GLN A 15 5.778 -15.765 3.909 1.00 0.00 C ATOM 178 C GLN A 15 6.200 -14.531 4.729 1.00 0.00 C ATOM 179 O GLN A 15 7.366 -14.458 5.118 1.00 0.00 O ATOM 180 CB GLN A 15 6.458 -15.665 2.526 1.00 0.00 C ATOM 181 CG GLN A 15 6.369 -16.917 1.637 1.00 0.00 C ATOM 182 CD GLN A 15 7.255 -18.053 2.150 1.00 0.00 C ATOM 183 OE1 GLN A 15 8.483 -18.009 2.059 1.00 0.00 O ATOM 184 NE2 GLN A 15 6.671 -19.092 2.710 1.00 0.00 N ATOM 0 H GLN A 15 3.990 -15.724 2.816 1.00 0.00 H new ATOM 0 HA GLN A 15 6.097 -16.663 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.015 -14.828 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.511 -15.426 2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.334 -17.257 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.663 -16.660 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.654 -19.127 2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.235 -19.862 3.069 1.00 0.00 H new ATOM 193 N LEU A 16 5.321 -13.540 4.931 1.00 0.00 N ATOM 194 CA LEU A 16 5.723 -12.269 5.536 1.00 0.00 C ATOM 195 C LEU A 16 6.034 -12.449 7.033 1.00 0.00 C ATOM 196 O LEU A 16 5.600 -13.422 7.663 1.00 0.00 O ATOM 197 CB LEU A 16 4.638 -11.190 5.335 1.00 0.00 C ATOM 198 CG LEU A 16 4.200 -10.852 3.890 1.00 0.00 C ATOM 199 CD1 LEU A 16 3.381 -9.558 3.893 1.00 0.00 C ATOM 200 CD2 LEU A 16 5.311 -10.743 2.845 1.00 0.00 C ATOM 0 H LEU A 16 4.333 -13.596 4.685 1.00 0.00 H new ATOM 0 HA LEU A 16 6.631 -11.934 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.752 -11.503 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.994 -10.270 5.799 1.00 0.00 H new ATOM 0 HG LEU A 16 3.613 -11.715 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.073 -9.320 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.498 -9.688 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.989 -8.744 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.876 -10.503 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.007 -9.956 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.843 -11.692 2.779 1.00 0.00 H new ATOM 212 N LYS A 17 6.738 -11.484 7.634 1.00 0.00 N ATOM 213 CA LYS A 17 6.942 -11.311 9.061 1.00 0.00 C ATOM 214 C LYS A 17 6.516 -9.882 9.380 1.00 0.00 C ATOM 215 O LYS A 17 6.892 -8.969 8.634 1.00 0.00 O ATOM 216 CB LYS A 17 8.426 -11.513 9.389 1.00 0.00 C ATOM 217 CG LYS A 17 8.882 -12.979 9.430 1.00 0.00 C ATOM 218 CD LYS A 17 8.624 -13.644 10.787 1.00 0.00 C ATOM 219 CE LYS A 17 9.027 -15.116 10.694 1.00 0.00 C ATOM 220 NZ LYS A 17 8.732 -15.865 11.932 1.00 0.00 N ATOM 0 H LYS A 17 7.209 -10.759 7.093 1.00 0.00 H new ATOM 0 HA LYS A 17 6.368 -12.029 9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.023 -10.982 8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.636 -11.055 10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.362 -13.538 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.947 -13.030 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.196 -13.144 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.572 -13.556 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.502 -15.580 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.093 -15.184 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.024 -16.856 11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.253 -15.441 12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.711 -15.826 12.127 1.00 0.00 H new ATOM 234 N GLY A 18 5.759 -9.689 10.460 1.00 0.00 N ATOM 235 CA GLY A 18 5.014 -8.460 10.696 1.00 0.00 C ATOM 236 C GLY A 18 3.688 -8.743 11.403 1.00 0.00 C ATOM 237 O GLY A 18 3.541 -9.797 12.033 1.00 0.00 O ATOM 0 H GLY A 18 5.647 -10.386 11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.613 -7.779 11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.823 -7.960 9.747 1.00 0.00 H new ATOM 241 N THR A 19 2.715 -7.830 11.301 1.00 0.00 N ATOM 242 CA THR A 19 1.323 -8.051 11.703 1.00 0.00 C ATOM 243 C THR A 19 0.420 -7.661 10.542 1.00 0.00 C ATOM 244 O THR A 19 0.699 -6.667 9.879 1.00 0.00 O ATOM 245 CB THR A 19 0.978 -7.211 12.943 1.00 0.00 C ATOM 246 OG1 THR A 19 1.786 -7.593 14.034 1.00 0.00 O ATOM 247 CG2 THR A 19 -0.487 -7.351 13.375 1.00 0.00 C ATOM 0 H THR A 19 2.879 -6.895 10.928 1.00 0.00 H new ATOM 0 HA THR A 19 1.178 -9.101 11.957 1.00 0.00 H new ATOM 0 HB THR A 19 1.158 -6.174 12.659 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.557 -7.049 14.817 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.667 -6.734 14.255 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.138 -7.025 12.564 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.698 -8.393 13.613 1.00 0.00 H new ATOM 255 N PHE A 20 -0.674 -8.391 10.327 1.00 0.00 N ATOM 256 CA PHE A 20 -1.717 -8.019 9.382 1.00 0.00 C ATOM 257 C PHE A 20 -2.744 -7.151 10.082 1.00 0.00 C ATOM 258 O PHE A 20 -3.164 -7.456 11.200 1.00 0.00 O ATOM 259 CB PHE A 20 -2.361 -9.285 8.796 1.00 0.00 C ATOM 260 CG PHE A 20 -1.542 -9.927 7.690 1.00 0.00 C ATOM 261 CD1 PHE A 20 -0.252 -10.443 7.935 1.00 0.00 C ATOM 262 CD2 PHE A 20 -2.070 -9.984 6.389 1.00 0.00 C ATOM 263 CE1 PHE A 20 0.529 -10.927 6.871 1.00 0.00 C ATOM 264 CE2 PHE A 20 -1.298 -10.487 5.333 1.00 0.00 C ATOM 265 CZ PHE A 20 0.020 -10.908 5.565 1.00 0.00 C ATOM 0 H PHE A 20 -0.860 -9.269 10.813 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.288 -7.447 8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.509 -10.011 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.348 -9.034 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.136 -10.466 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.076 -9.638 6.202 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.520 -11.313 7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.718 -10.551 4.340 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.642 -11.217 4.738 1.00 0.00 H new ATOM 275 N LEU A 21 -3.143 -6.068 9.424 1.00 0.00 N ATOM 276 CA LEU A 21 -4.201 -5.164 9.831 1.00 0.00 C ATOM 277 C LEU A 21 -5.347 -5.285 8.829 1.00 0.00 C ATOM 278 O LEU A 21 -5.174 -5.855 7.750 1.00 0.00 O ATOM 279 CB LEU A 21 -3.729 -3.705 9.804 1.00 0.00 C ATOM 280 CG LEU A 21 -2.345 -3.302 10.327 1.00 0.00 C ATOM 281 CD1 LEU A 21 -2.061 -3.794 11.750 1.00 0.00 C ATOM 282 CD2 LEU A 21 -1.227 -3.677 9.353 1.00 0.00 C ATOM 0 H LEU A 21 -2.710 -5.786 8.545 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.506 -5.428 10.844 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.785 -3.373 8.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.461 -3.124 10.365 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.363 -2.214 10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.065 -3.472 12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.801 -3.378 12.433 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.115 -4.882 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.266 -3.372 9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.228 -4.756 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.389 -3.171 8.401 1.00 0.00 H new ATOM 294 N SER A 22 -6.482 -4.658 9.127 1.00 0.00 N ATOM 295 CA SER A 22 -7.512 -4.368 8.153 1.00 0.00 C ATOM 296 C SER A 22 -8.214 -3.064 8.525 1.00 0.00 C ATOM 297 O SER A 22 -8.285 -2.714 9.710 1.00 0.00 O ATOM 298 CB SER A 22 -8.469 -5.556 8.100 1.00 0.00 C ATOM 299 OG SER A 22 -9.009 -5.862 9.377 1.00 0.00 O ATOM 0 H SER A 22 -6.708 -4.335 10.068 1.00 0.00 H new ATOM 0 HA SER A 22 -7.089 -4.227 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.281 -5.337 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.943 -6.428 7.710 1.00 0.00 H new ATOM 0 HG SER A 22 -9.617 -6.626 9.300 1.00 0.00 H new ATOM 305 N THR A 23 -8.765 -2.376 7.531 1.00 0.00 N ATOM 306 CA THR A 23 -9.443 -1.094 7.675 1.00 0.00 C ATOM 307 C THR A 23 -10.451 -0.979 6.531 1.00 0.00 C ATOM 308 O THR A 23 -10.325 -1.699 5.528 1.00 0.00 O ATOM 309 CB THR A 23 -8.375 0.020 7.717 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.717 1.078 8.584 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.922 0.576 6.366 1.00 0.00 C ATOM 0 H THR A 23 -8.751 -2.709 6.567 1.00 0.00 H new ATOM 0 HA THR A 23 -10.007 -1.000 8.603 1.00 0.00 H new ATOM 0 HB THR A 23 -7.511 -0.511 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.634 1.370 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.172 1.351 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.493 -0.227 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.778 1.002 5.842 1.00 0.00 H new ATOM 319 N THR A 24 -11.478 -0.144 6.671 1.00 0.00 N ATOM 320 CA THR A 24 -12.335 0.216 5.554 1.00 0.00 C ATOM 321 C THR A 24 -12.461 1.731 5.557 1.00 0.00 C ATOM 322 O THR A 24 -13.045 2.286 6.486 1.00 0.00 O ATOM 323 CB THR A 24 -13.723 -0.442 5.655 1.00 0.00 C ATOM 324 OG1 THR A 24 -13.655 -1.823 5.960 1.00 0.00 O ATOM 325 CG2 THR A 24 -14.492 -0.305 4.338 1.00 0.00 C ATOM 0 H THR A 24 -11.734 0.296 7.555 1.00 0.00 H new ATOM 0 HA THR A 24 -11.895 -0.142 4.623 1.00 0.00 H new ATOM 0 HB THR A 24 -14.233 0.080 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 24 -14.562 -2.191 6.014 1.00 0.00 H new ATOM 0 HG21 THR A 24 -15.469 -0.778 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 24 -14.622 0.751 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 24 -13.933 -0.790 3.538 1.00 0.00 H new ATOM 333 N LEU A 25 -11.991 2.404 4.510 1.00 0.00 N ATOM 334 CA LEU A 25 -12.213 3.831 4.370 1.00 0.00 C ATOM 335 C LEU A 25 -13.414 3.993 3.461 1.00 0.00 C ATOM 336 O LEU A 25 -13.586 3.247 2.485 1.00 0.00 O ATOM 337 CB LEU A 25 -11.050 4.562 3.681 1.00 0.00 C ATOM 338 CG LEU A 25 -9.635 4.448 4.276 1.00 0.00 C ATOM 339 CD1 LEU A 25 -8.870 5.700 3.852 1.00 0.00 C ATOM 340 CD2 LEU A 25 -9.589 4.350 5.801 1.00 0.00 C ATOM 0 H LEU A 25 -11.456 1.981 3.751 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.336 4.251 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.003 4.207 2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.305 5.621 3.641 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.201 3.520 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.857 5.661 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.827 5.749 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.379 6.584 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.553 4.273 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.043 5.240 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.139 3.467 6.126 1.00 0.00 H new ATOM 352 N LYS A 26 -14.216 5.015 3.739 1.00 0.00 N ATOM 353 CA LYS A 26 -15.183 5.514 2.779 1.00 0.00 C ATOM 354 C LYS A 26 -14.441 6.454 1.835 1.00 0.00 C ATOM 355 O LYS A 26 -13.494 7.138 2.232 1.00 0.00 O ATOM 356 CB LYS A 26 -16.348 6.171 3.530 1.00 0.00 C ATOM 357 CG LYS A 26 -17.542 6.464 2.606 1.00 0.00 C ATOM 358 CD LYS A 26 -18.862 6.576 3.377 1.00 0.00 C ATOM 359 CE LYS A 26 -18.841 7.709 4.402 1.00 0.00 C ATOM 360 NZ LYS A 26 -20.120 7.789 5.130 1.00 0.00 N ATOM 0 H LYS A 26 -14.212 5.514 4.629 1.00 0.00 H new ATOM 0 HA LYS A 26 -15.628 4.721 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.670 5.518 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.007 7.100 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.360 7.393 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -17.625 5.672 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -19.678 6.741 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.064 5.633 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.026 7.550 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -18.646 8.656 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -20.079 8.566 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -20.893 7.964 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -20.292 6.893 5.629 1.00 0.00 H new ATOM 374 N LYS A 27 -14.839 6.464 0.567 1.00 0.00 N ATOM 375 CA LYS A 27 -14.351 7.393 -0.436 1.00 0.00 C ATOM 376 C LYS A 27 -14.958 8.751 -0.100 1.00 0.00 C ATOM 377 O LYS A 27 -16.096 9.023 -0.489 1.00 0.00 O ATOM 378 CB LYS A 27 -14.755 6.888 -1.829 1.00 0.00 C ATOM 379 CG LYS A 27 -14.180 7.752 -2.966 1.00 0.00 C ATOM 380 CD LYS A 27 -12.939 7.138 -3.620 1.00 0.00 C ATOM 381 CE LYS A 27 -12.618 7.934 -4.894 1.00 0.00 C ATOM 382 NZ LYS A 27 -11.581 7.302 -5.733 1.00 0.00 N ATOM 0 H LYS A 27 -15.529 5.807 0.203 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.264 7.478 -0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.413 5.860 -1.951 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.842 6.873 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.948 7.900 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.926 8.737 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.094 7.167 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.117 6.090 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.529 8.050 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.289 8.935 -4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.718 7.583 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.640 7.610 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.653 6.268 -5.653 1.00 0.00 H new ATOM 396 N SER A 28 -14.230 9.554 0.663 1.00 0.00 N ATOM 397 CA SER A 28 -14.612 10.899 1.052 1.00 0.00 C ATOM 398 C SER A 28 -14.313 11.900 -0.078 1.00 0.00 C ATOM 399 O SER A 28 -14.087 11.522 -1.232 1.00 0.00 O ATOM 400 CB SER A 28 -13.869 11.256 2.340 1.00 0.00 C ATOM 401 OG SER A 28 -14.130 10.364 3.400 1.00 0.00 O ATOM 0 H SER A 28 -13.325 9.274 1.040 1.00 0.00 H new ATOM 0 HA SER A 28 -15.686 10.948 1.234 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.797 11.269 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.149 12.264 2.645 1.00 0.00 H new ATOM 0 HG SER A 28 -13.627 10.643 4.193 1.00 0.00 H new ATOM 407 N ASN A 29 -14.338 13.199 0.255 1.00 0.00 N ATOM 408 CA ASN A 29 -14.366 14.321 -0.682 1.00 0.00 C ATOM 409 C ASN A 29 -13.255 14.246 -1.727 1.00 0.00 C ATOM 410 O ASN A 29 -13.529 14.434 -2.916 1.00 0.00 O ATOM 411 CB ASN A 29 -14.253 15.670 0.047 1.00 0.00 C ATOM 412 CG ASN A 29 -15.397 15.961 1.009 1.00 0.00 C ATOM 413 OD1 ASN A 29 -16.547 15.631 0.755 1.00 0.00 O ATOM 414 ND2 ASN A 29 -15.110 16.565 2.144 1.00 0.00 N ATOM 0 H ASN A 29 -14.339 13.505 1.228 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.329 14.250 -1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -13.314 15.693 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.206 16.467 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.849 16.761 2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.148 16.837 2.348 1.00 0.00 H new ATOM 421 N MET A 30 -12.014 13.979 -1.299 1.00 0.00 N ATOM 422 CA MET A 30 -10.885 13.699 -2.181 1.00 0.00 C ATOM 423 C MET A 30 -10.413 12.269 -1.922 1.00 0.00 C ATOM 424 O MET A 30 -9.282 12.025 -1.499 1.00 0.00 O ATOM 425 CB MET A 30 -9.760 14.745 -2.059 1.00 0.00 C ATOM 426 CG MET A 30 -10.187 16.181 -2.376 1.00 0.00 C ATOM 427 SD MET A 30 -8.786 17.333 -2.388 1.00 0.00 S ATOM 428 CE MET A 30 -9.653 18.885 -2.738 1.00 0.00 C ATOM 0 H MET A 30 -11.767 13.952 -0.310 1.00 0.00 H new ATOM 0 HA MET A 30 -11.208 13.778 -3.219 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.361 14.714 -1.045 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.947 14.465 -2.730 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.681 16.204 -3.347 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.919 16.511 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.933 19.702 -2.780 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.168 18.806 -3.695 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.380 19.082 -1.950 1.00 0.00 H new ATOM 438 N GLY A 31 -11.302 11.312 -2.193 1.00 0.00 N ATOM 439 CA GLY A 31 -10.956 9.912 -2.318 1.00 0.00 C ATOM 440 C GLY A 31 -10.554 9.301 -0.987 1.00 0.00 C ATOM 441 O GLY A 31 -11.368 9.241 -0.064 1.00 0.00 O ATOM 0 H GLY A 31 -12.295 11.500 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.806 9.364 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.136 9.804 -3.028 1.00 0.00 H new ATOM 445 N PHE A 32 -9.311 8.830 -0.896 1.00 0.00 N ATOM 446 CA PHE A 32 -8.739 8.252 0.305 1.00 0.00 C ATOM 447 C PHE A 32 -7.521 9.091 0.660 1.00 0.00 C ATOM 448 O PHE A 32 -6.726 9.437 -0.215 1.00 0.00 O ATOM 449 CB PHE A 32 -8.341 6.784 0.080 1.00 0.00 C ATOM 450 CG PHE A 32 -9.399 5.887 -0.540 1.00 0.00 C ATOM 451 CD1 PHE A 32 -10.644 5.685 0.092 1.00 0.00 C ATOM 452 CD2 PHE A 32 -9.134 5.252 -1.769 1.00 0.00 C ATOM 453 CE1 PHE A 32 -11.616 4.869 -0.510 1.00 0.00 C ATOM 454 CE2 PHE A 32 -10.130 4.485 -2.396 1.00 0.00 C ATOM 455 CZ PHE A 32 -11.364 4.283 -1.761 1.00 0.00 C ATOM 0 H PHE A 32 -8.661 8.843 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.467 8.257 1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.458 6.763 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -8.051 6.357 1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.850 6.159 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.163 5.355 -2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -12.557 4.692 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.945 4.051 -3.367 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.121 3.676 -2.235 1.00 0.00 H new ATOM 465 N GLY A 33 -7.340 9.394 1.944 1.00 0.00 N ATOM 466 CA GLY A 33 -6.262 10.252 2.418 1.00 0.00 C ATOM 467 C GLY A 33 -4.919 9.526 2.491 1.00 0.00 C ATOM 468 O GLY A 33 -4.198 9.712 3.462 1.00 0.00 O ATOM 0 H GLY A 33 -7.944 9.047 2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.170 11.112 1.755 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.517 10.636 3.406 1.00 0.00 H new ATOM 472 N PHE A 34 -4.569 8.686 1.517 1.00 0.00 N ATOM 473 CA PHE A 34 -3.263 8.039 1.436 1.00 0.00 C ATOM 474 C PHE A 34 -2.858 7.896 -0.025 1.00 0.00 C ATOM 475 O PHE A 34 -3.719 7.946 -0.910 1.00 0.00 O ATOM 476 CB PHE A 34 -3.280 6.687 2.168 1.00 0.00 C ATOM 477 CG PHE A 34 -4.083 5.560 1.527 1.00 0.00 C ATOM 478 CD1 PHE A 34 -5.468 5.460 1.744 1.00 0.00 C ATOM 479 CD2 PHE A 34 -3.435 4.547 0.794 1.00 0.00 C ATOM 480 CE1 PHE A 34 -6.205 4.367 1.252 1.00 0.00 C ATOM 481 CE2 PHE A 34 -4.169 3.445 0.306 1.00 0.00 C ATOM 482 CZ PHE A 34 -5.555 3.343 0.534 1.00 0.00 C ATOM 0 H PHE A 34 -5.195 8.433 0.752 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.517 8.657 1.935 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.250 6.348 2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.670 6.851 3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.976 6.236 2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.374 4.614 0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.270 4.313 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.662 2.670 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.111 2.494 0.165 1.00 0.00 H new ATOM 492 N THR A 35 -1.573 7.673 -0.290 1.00 0.00 N ATOM 493 CA THR A 35 -1.065 7.317 -1.608 1.00 0.00 C ATOM 494 C THR A 35 -0.283 6.011 -1.490 1.00 0.00 C ATOM 495 O THR A 35 0.176 5.652 -0.403 1.00 0.00 O ATOM 496 CB THR A 35 -0.213 8.462 -2.179 1.00 0.00 C ATOM 497 OG1 THR A 35 0.794 8.846 -1.266 1.00 0.00 O ATOM 498 CG2 THR A 35 -1.061 9.696 -2.504 1.00 0.00 C ATOM 0 H THR A 35 -0.844 7.736 0.420 1.00 0.00 H new ATOM 0 HA THR A 35 -1.887 7.164 -2.307 1.00 0.00 H new ATOM 0 HB THR A 35 0.237 8.083 -3.097 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.324 9.575 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.421 10.482 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.818 9.433 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.548 10.052 -1.596 1.00 0.00 H new ATOM 506 N ILE A 36 -0.119 5.291 -2.596 1.00 0.00 N ATOM 507 CA ILE A 36 0.533 3.995 -2.655 1.00 0.00 C ATOM 508 C ILE A 36 1.794 4.138 -3.510 1.00 0.00 C ATOM 509 O ILE A 36 1.964 5.119 -4.233 1.00 0.00 O ATOM 510 CB ILE A 36 -0.478 2.948 -3.184 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.826 3.017 -2.427 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.070 1.525 -3.007 1.00 0.00 C ATOM 513 CD1 ILE A 36 -2.870 3.959 -3.033 1.00 0.00 C ATOM 0 H ILE A 36 -0.450 5.609 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 36 0.850 3.641 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.633 3.178 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.250 2.014 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.632 3.329 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.656 0.806 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.004 1.423 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.253 1.334 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.777 3.934 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.475 4.975 -3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.102 3.639 -4.049 1.00 0.00 H new ATOM 525 N ILE A 37 2.717 3.196 -3.401 1.00 0.00 N ATOM 526 CA ILE A 37 3.850 3.021 -4.287 1.00 0.00 C ATOM 527 C ILE A 37 3.916 1.526 -4.592 1.00 0.00 C ATOM 528 O ILE A 37 3.549 0.692 -3.763 1.00 0.00 O ATOM 529 CB ILE A 37 5.128 3.646 -3.676 1.00 0.00 C ATOM 530 CG1 ILE A 37 6.373 3.359 -4.540 1.00 0.00 C ATOM 531 CG2 ILE A 37 5.375 3.267 -2.206 1.00 0.00 C ATOM 532 CD1 ILE A 37 7.575 4.245 -4.189 1.00 0.00 C ATOM 0 H ILE A 37 2.693 2.501 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 37 3.748 3.554 -5.232 1.00 0.00 H new ATOM 0 HB ILE A 37 4.945 4.721 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.655 2.313 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.119 3.504 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.289 3.746 -1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.534 3.601 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.477 2.185 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 37 8.416 3.990 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.310 5.292 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.855 4.083 -3.148 1.00 0.00 H new ATOM 544 N GLY A 38 4.251 1.221 -5.837 1.00 0.00 N ATOM 545 CA GLY A 38 4.553 -0.092 -6.365 1.00 0.00 C ATOM 546 C GLY A 38 5.704 0.090 -7.341 1.00 0.00 C ATOM 547 O GLY A 38 5.838 1.162 -7.939 1.00 0.00 O ATOM 0 H GLY A 38 4.323 1.942 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.828 -0.778 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.684 -0.518 -6.865 1.00 0.00 H new ATOM 551 N GLY A 39 6.515 -0.948 -7.517 1.00 0.00 N ATOM 552 CA GLY A 39 7.756 -0.904 -8.279 1.00 0.00 C ATOM 553 C GLY A 39 7.582 -0.757 -9.780 1.00 0.00 C ATOM 554 O GLY A 39 8.579 -0.803 -10.491 1.00 0.00 O ATOM 0 H GLY A 39 6.321 -1.868 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.359 -0.072 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.319 -1.816 -8.081 1.00 0.00 H new ATOM 558 N ASP A 40 6.354 -0.602 -10.272 1.00 0.00 N ATOM 559 CA ASP A 40 5.947 -0.560 -11.680 1.00 0.00 C ATOM 560 C ASP A 40 5.986 -1.946 -12.319 1.00 0.00 C ATOM 561 O ASP A 40 5.106 -2.283 -13.111 1.00 0.00 O ATOM 562 CB ASP A 40 6.771 0.437 -12.512 1.00 0.00 C ATOM 563 CG ASP A 40 6.198 0.523 -13.917 1.00 0.00 C ATOM 564 OD1 ASP A 40 5.109 1.135 -14.053 1.00 0.00 O ATOM 565 OD2 ASP A 40 6.811 -0.030 -14.861 1.00 0.00 O ATOM 0 H ASP A 40 5.553 -0.494 -9.649 1.00 0.00 H new ATOM 0 HA ASP A 40 4.916 -0.206 -11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.755 1.420 -12.041 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.813 0.119 -12.552 1.00 0.00 H new ATOM 570 N GLU A 41 6.969 -2.769 -11.957 1.00 0.00 N ATOM 571 CA GLU A 41 7.035 -4.163 -12.354 1.00 0.00 C ATOM 572 C GLU A 41 5.894 -4.937 -11.679 1.00 0.00 C ATOM 573 O GLU A 41 5.694 -4.771 -10.470 1.00 0.00 O ATOM 574 CB GLU A 41 8.388 -4.776 -11.979 1.00 0.00 C ATOM 575 CG GLU A 41 9.504 -4.041 -12.724 1.00 0.00 C ATOM 576 CD GLU A 41 10.850 -4.750 -12.612 1.00 0.00 C ATOM 577 OE1 GLU A 41 11.134 -5.587 -13.505 1.00 0.00 O ATOM 578 OE2 GLU A 41 11.650 -4.442 -11.702 1.00 0.00 O ATOM 0 H GLU A 41 7.751 -2.476 -11.371 1.00 0.00 H new ATOM 0 HA GLU A 41 6.928 -4.227 -13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.546 -4.705 -10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.402 -5.836 -12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.233 -3.947 -13.776 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.596 -3.030 -12.327 1.00 0.00 H new ATOM 585 N PRO A 42 5.178 -5.811 -12.409 1.00 0.00 N ATOM 586 CA PRO A 42 4.002 -6.561 -11.956 1.00 0.00 C ATOM 587 C PRO A 42 4.375 -7.731 -11.021 1.00 0.00 C ATOM 588 O PRO A 42 3.881 -8.853 -11.168 1.00 0.00 O ATOM 589 CB PRO A 42 3.333 -7.009 -13.267 1.00 0.00 C ATOM 590 CG PRO A 42 4.518 -7.249 -14.198 1.00 0.00 C ATOM 591 CD PRO A 42 5.462 -6.118 -13.801 1.00 0.00 C ATOM 0 HA PRO A 42 3.328 -5.965 -11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.740 -7.913 -13.128 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.662 -6.245 -13.658 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.967 -8.230 -14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.231 -7.192 -15.248 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.502 -6.419 -13.927 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.305 -5.243 -14.431 1.00 0.00 H new ATOM 599 N ASP A 43 5.314 -7.497 -10.106 1.00 0.00 N ATOM 600 CA ASP A 43 5.823 -8.469 -9.145 1.00 0.00 C ATOM 601 C ASP A 43 6.522 -7.812 -7.947 1.00 0.00 C ATOM 602 O ASP A 43 6.980 -8.506 -7.042 1.00 0.00 O ATOM 603 CB ASP A 43 6.801 -9.418 -9.848 1.00 0.00 C ATOM 604 CG ASP A 43 6.890 -10.763 -9.134 1.00 0.00 C ATOM 605 OD1 ASP A 43 5.825 -11.385 -8.917 1.00 0.00 O ATOM 606 OD2 ASP A 43 8.019 -11.285 -8.982 1.00 0.00 O ATOM 0 H ASP A 43 5.759 -6.584 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 43 4.965 -9.017 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.481 -9.573 -10.878 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.789 -8.960 -9.886 1.00 0.00 H new ATOM 611 N GLU A 44 6.648 -6.480 -7.912 1.00 0.00 N ATOM 612 CA GLU A 44 7.027 -5.769 -6.705 1.00 0.00 C ATOM 613 C GLU A 44 5.809 -5.726 -5.776 1.00 0.00 C ATOM 614 O GLU A 44 4.671 -5.669 -6.248 1.00 0.00 O ATOM 615 CB GLU A 44 7.512 -4.369 -7.106 1.00 0.00 C ATOM 616 CG GLU A 44 7.891 -3.516 -5.893 1.00 0.00 C ATOM 617 CD GLU A 44 9.266 -2.846 -5.980 1.00 0.00 C ATOM 618 OE1 GLU A 44 10.255 -3.544 -6.291 1.00 0.00 O ATOM 619 OE2 GLU A 44 9.359 -1.621 -5.709 1.00 0.00 O ATOM 0 H GLU A 44 6.489 -5.876 -8.719 1.00 0.00 H new ATOM 0 HA GLU A 44 7.839 -6.263 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.374 -4.461 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.729 -3.864 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.134 -2.743 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.865 -4.144 -5.003 1.00 0.00 H new ATOM 626 N PHE A 45 6.055 -5.729 -4.469 1.00 0.00 N ATOM 627 CA PHE A 45 5.053 -5.531 -3.428 1.00 0.00 C ATOM 628 C PHE A 45 4.705 -4.048 -3.345 1.00 0.00 C ATOM 629 O PHE A 45 5.582 -3.191 -3.474 1.00 0.00 O ATOM 630 CB PHE A 45 5.614 -6.016 -2.081 1.00 0.00 C ATOM 631 CG PHE A 45 5.967 -7.489 -2.063 1.00 0.00 C ATOM 632 CD1 PHE A 45 5.002 -8.439 -1.696 1.00 0.00 C ATOM 633 CD2 PHE A 45 7.258 -7.918 -2.419 1.00 0.00 C ATOM 634 CE1 PHE A 45 5.339 -9.805 -1.662 1.00 0.00 C ATOM 635 CE2 PHE A 45 7.591 -9.280 -2.408 1.00 0.00 C ATOM 636 CZ PHE A 45 6.632 -10.225 -2.020 1.00 0.00 C ATOM 0 H PHE A 45 6.992 -5.875 -4.093 1.00 0.00 H new ATOM 0 HA PHE A 45 4.154 -6.100 -3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.504 -5.435 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.881 -5.818 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.002 -8.122 -1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.002 -7.189 -2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.601 -10.534 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.581 -9.599 -2.697 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.886 -11.274 -1.996 1.00 0.00 H new ATOM 646 N LEU A 46 3.434 -3.749 -3.094 1.00 0.00 N ATOM 647 CA LEU A 46 2.929 -2.392 -2.903 1.00 0.00 C ATOM 648 C LEU A 46 3.043 -1.998 -1.430 1.00 0.00 C ATOM 649 O LEU A 46 2.683 -2.808 -0.567 1.00 0.00 O ATOM 650 CB LEU A 46 1.441 -2.367 -3.271 1.00 0.00 C ATOM 651 CG LEU A 46 1.138 -2.587 -4.759 1.00 0.00 C ATOM 652 CD1 LEU A 46 -0.161 -3.387 -4.885 1.00 0.00 C ATOM 653 CD2 LEU A 46 0.957 -1.277 -5.526 1.00 0.00 C ATOM 0 H LEU A 46 2.708 -4.461 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 46 3.505 -1.706 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.926 -3.135 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.023 -1.407 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 46 1.990 -3.116 -5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.387 -3.550 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.046 -4.349 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.976 -2.832 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.745 -1.495 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.127 -0.716 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.870 -0.685 -5.456 1.00 0.00 H new ATOM 665 N GLN A 47 3.392 -0.741 -1.135 1.00 0.00 N ATOM 666 CA GLN A 47 3.338 -0.155 0.208 1.00 0.00 C ATOM 667 C GLN A 47 2.623 1.200 0.176 1.00 0.00 C ATOM 668 O GLN A 47 2.581 1.873 -0.854 1.00 0.00 O ATOM 669 CB GLN A 47 4.749 -0.011 0.818 1.00 0.00 C ATOM 670 CG GLN A 47 5.495 -1.353 0.939 1.00 0.00 C ATOM 671 CD GLN A 47 6.860 -1.259 1.628 1.00 0.00 C ATOM 672 OE1 GLN A 47 7.895 -1.624 1.071 1.00 0.00 O ATOM 673 NE2 GLN A 47 6.920 -0.819 2.873 1.00 0.00 N ATOM 0 H GLN A 47 3.728 -0.087 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 47 2.770 -0.833 0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.337 0.670 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.667 0.442 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.870 -2.054 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.633 -1.769 -0.059 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.070 -0.513 3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.816 -0.785 3.359 1.00 0.00 H new ATOM 682 N VAL A 48 2.035 1.633 1.296 1.00 0.00 N ATOM 683 CA VAL A 48 1.491 2.976 1.447 1.00 0.00 C ATOM 684 C VAL A 48 2.657 3.966 1.356 1.00 0.00 C ATOM 685 O VAL A 48 3.465 4.048 2.285 1.00 0.00 O ATOM 686 CB VAL A 48 0.734 3.061 2.790 1.00 0.00 C ATOM 687 CG1 VAL A 48 0.377 4.497 3.199 1.00 0.00 C ATOM 688 CG2 VAL A 48 -0.566 2.250 2.718 1.00 0.00 C ATOM 0 H VAL A 48 1.925 1.052 2.127 1.00 0.00 H new ATOM 0 HA VAL A 48 0.776 3.221 0.662 1.00 0.00 H new ATOM 0 HB VAL A 48 1.414 2.656 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.153 4.483 4.151 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.290 5.084 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.260 4.945 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.090 2.318 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.200 2.648 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.333 1.207 2.506 1.00 0.00 H new ATOM 698 N LYS A 49 2.755 4.705 0.244 1.00 0.00 N ATOM 699 CA LYS A 49 3.761 5.741 -0.003 1.00 0.00 C ATOM 700 C LYS A 49 3.692 6.781 1.102 1.00 0.00 C ATOM 701 O LYS A 49 4.701 7.090 1.719 1.00 0.00 O ATOM 702 CB LYS A 49 3.540 6.389 -1.385 1.00 0.00 C ATOM 703 CG LYS A 49 4.634 7.411 -1.737 1.00 0.00 C ATOM 704 CD LYS A 49 4.359 8.225 -3.015 1.00 0.00 C ATOM 705 CE LYS A 49 4.902 7.579 -4.298 1.00 0.00 C ATOM 706 NZ LYS A 49 3.876 6.894 -5.113 1.00 0.00 N ATOM 0 H LYS A 49 2.110 4.592 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 49 4.753 5.290 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.515 5.611 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.568 6.882 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.753 8.100 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.581 6.885 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.283 8.366 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.801 9.215 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.378 8.349 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.676 6.860 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.340 6.331 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.311 6.268 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.254 7.601 -5.554 1.00 0.00 H new ATOM 720 N SER A 50 2.506 7.342 1.342 1.00 0.00 N ATOM 721 CA SER A 50 2.291 8.265 2.440 1.00 0.00 C ATOM 722 C SER A 50 0.834 8.253 2.863 1.00 0.00 C ATOM 723 O SER A 50 -0.045 7.880 2.081 1.00 0.00 O ATOM 724 CB SER A 50 2.737 9.664 2.021 1.00 0.00 C ATOM 725 OG SER A 50 2.289 10.022 0.723 1.00 0.00 O ATOM 0 H SER A 50 1.674 7.165 0.778 1.00 0.00 H new ATOM 0 HA SER A 50 2.885 7.954 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.362 10.390 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.825 9.717 2.051 1.00 0.00 H new ATOM 0 HG SER A 50 1.663 9.344 0.395 1.00 0.00 H new ATOM 731 N VAL A 51 0.583 8.742 4.069 1.00 0.00 N ATOM 732 CA VAL A 51 -0.740 9.048 4.584 1.00 0.00 C ATOM 733 C VAL A 51 -0.810 10.576 4.625 1.00 0.00 C ATOM 734 O VAL A 51 0.105 11.224 5.139 1.00 0.00 O ATOM 735 CB VAL A 51 -0.928 8.386 5.963 1.00 0.00 C ATOM 736 CG1 VAL A 51 -2.363 8.581 6.463 1.00 0.00 C ATOM 737 CG2 VAL A 51 -0.663 6.873 5.903 1.00 0.00 C ATOM 0 H VAL A 51 1.325 8.943 4.739 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.549 8.658 3.967 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.215 8.860 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.476 8.107 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.576 9.646 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.059 8.129 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.805 6.439 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.356 6.410 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.360 6.696 5.572 1.00 0.00 H new ATOM 747 N ILE A 52 -1.837 11.152 4.005 1.00 0.00 N ATOM 748 CA ILE A 52 -2.098 12.576 3.987 1.00 0.00 C ATOM 749 C ILE A 52 -2.516 12.943 5.419 1.00 0.00 C ATOM 750 O ILE A 52 -3.389 12.265 5.973 1.00 0.00 O ATOM 751 CB ILE A 52 -3.224 12.866 2.968 1.00 0.00 C ATOM 752 CG1 ILE A 52 -2.948 12.459 1.492 1.00 0.00 C ATOM 753 CG2 ILE A 52 -3.625 14.353 2.979 1.00 0.00 C ATOM 754 CD1 ILE A 52 -1.657 11.729 1.100 1.00 0.00 C ATOM 0 H ILE A 52 -2.531 10.615 3.485 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.232 13.165 3.685 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.029 12.222 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.779 11.830 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.992 13.371 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.419 14.521 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.980 14.627 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.761 14.965 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.659 11.537 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.797 12.348 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.596 10.783 1.638 1.00 0.00 H new ATOM 766 N PRO A 53 -1.949 14.004 6.012 1.00 0.00 N ATOM 767 CA PRO A 53 -2.323 14.435 7.346 1.00 0.00 C ATOM 768 C PRO A 53 -3.770 14.906 7.364 1.00 0.00 C ATOM 769 O PRO A 53 -4.331 15.308 6.341 1.00 0.00 O ATOM 770 CB PRO A 53 -1.394 15.605 7.666 1.00 0.00 C ATOM 771 CG PRO A 53 -1.106 16.199 6.293 1.00 0.00 C ATOM 772 CD PRO A 53 -1.029 14.958 5.416 1.00 0.00 C ATOM 0 HA PRO A 53 -2.235 13.626 8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.870 16.329 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.482 15.272 8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.895 16.878 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.174 16.764 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.311 15.186 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.015 14.560 5.387 1.00 0.00 H new ATOM 780 N ASP A 54 -4.358 14.904 8.556 1.00 0.00 N ATOM 781 CA ASP A 54 -5.724 15.284 8.851 1.00 0.00 C ATOM 782 C ASP A 54 -6.787 14.444 8.105 1.00 0.00 C ATOM 783 O ASP A 54 -7.979 14.639 8.359 1.00 0.00 O ATOM 784 CB ASP A 54 -5.936 16.783 8.578 1.00 0.00 C ATOM 785 CG ASP A 54 -5.022 17.786 9.298 1.00 0.00 C ATOM 786 OD1 ASP A 54 -3.829 17.922 8.942 1.00 0.00 O ATOM 787 OD2 ASP A 54 -5.547 18.581 10.114 1.00 0.00 O ATOM 0 H ASP A 54 -3.853 14.616 9.394 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.869 15.077 9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.829 16.945 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.967 17.026 8.836 1.00 0.00 H new ATOM 792 N GLY A 55 -6.406 13.533 7.202 1.00 0.00 N ATOM 793 CA GLY A 55 -7.279 12.889 6.224 1.00 0.00 C ATOM 794 C GLY A 55 -7.963 11.627 6.754 1.00 0.00 C ATOM 795 O GLY A 55 -7.612 11.141 7.824 1.00 0.00 O ATOM 0 H GLY A 55 -5.440 13.214 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.042 13.600 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.694 12.632 5.341 1.00 0.00 H new ATOM 799 N PRO A 56 -8.906 11.024 6.002 1.00 0.00 N ATOM 800 CA PRO A 56 -9.712 9.909 6.502 1.00 0.00 C ATOM 801 C PRO A 56 -8.881 8.650 6.749 1.00 0.00 C ATOM 802 O PRO A 56 -9.236 7.826 7.584 1.00 0.00 O ATOM 803 CB PRO A 56 -10.782 9.646 5.439 1.00 0.00 C ATOM 804 CG PRO A 56 -10.206 10.248 4.154 1.00 0.00 C ATOM 805 CD PRO A 56 -9.248 11.346 4.626 1.00 0.00 C ATOM 0 HA PRO A 56 -10.148 10.167 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.974 8.579 5.325 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.730 10.114 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.683 9.495 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.994 10.657 3.522 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.356 11.379 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -9.719 12.327 4.561 1.00 0.00 H new ATOM 813 N ALA A 57 -7.781 8.492 6.010 1.00 0.00 N ATOM 814 CA ALA A 57 -6.892 7.359 6.171 1.00 0.00 C ATOM 815 C ALA A 57 -6.142 7.469 7.496 1.00 0.00 C ATOM 816 O ALA A 57 -6.061 6.486 8.229 1.00 0.00 O ATOM 817 CB ALA A 57 -5.943 7.318 4.977 1.00 0.00 C ATOM 0 H ALA A 57 -7.489 9.149 5.287 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.456 6.426 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.265 6.471 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.519 7.212 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.366 8.242 4.939 1.00 0.00 H new ATOM 823 N ALA A 58 -5.640 8.674 7.794 1.00 0.00 N ATOM 824 CA ALA A 58 -5.060 9.007 9.079 1.00 0.00 C ATOM 825 C ALA A 58 -6.114 8.744 10.164 1.00 0.00 C ATOM 826 O ALA A 58 -5.832 8.013 11.111 1.00 0.00 O ATOM 827 CB ALA A 58 -4.550 10.462 9.061 1.00 0.00 C ATOM 0 H ALA A 58 -5.630 9.449 7.131 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.193 8.385 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.115 10.707 10.030 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.793 10.573 8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.381 11.136 8.856 1.00 0.00 H new ATOM 833 N GLN A 59 -7.340 9.260 9.994 1.00 0.00 N ATOM 834 CA GLN A 59 -8.413 9.138 10.973 1.00 0.00 C ATOM 835 C GLN A 59 -8.744 7.685 11.317 1.00 0.00 C ATOM 836 O GLN A 59 -8.992 7.400 12.490 1.00 0.00 O ATOM 837 CB GLN A 59 -9.705 9.818 10.497 1.00 0.00 C ATOM 838 CG GLN A 59 -9.634 11.343 10.362 1.00 0.00 C ATOM 839 CD GLN A 59 -10.880 11.979 10.966 1.00 0.00 C ATOM 840 OE1 GLN A 59 -10.936 12.227 12.167 1.00 0.00 O ATOM 841 NE2 GLN A 59 -11.917 12.245 10.188 1.00 0.00 N ATOM 0 H GLN A 59 -7.611 9.780 9.159 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.034 9.637 11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.982 9.397 9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.505 9.569 11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.743 11.720 10.865 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.548 11.620 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.872 12.039 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.761 12.656 10.586 1.00 0.00 H new ATOM 850 N ASP A 60 -8.825 6.772 10.340 1.00 0.00 N ATOM 851 CA ASP A 60 -9.202 5.374 10.618 1.00 0.00 C ATOM 852 C ASP A 60 -8.116 4.658 11.437 1.00 0.00 C ATOM 853 O ASP A 60 -8.372 3.651 12.098 1.00 0.00 O ATOM 854 CB ASP A 60 -9.529 4.613 9.318 1.00 0.00 C ATOM 855 CG ASP A 60 -10.504 3.432 9.502 1.00 0.00 C ATOM 856 OD1 ASP A 60 -11.113 3.289 10.584 1.00 0.00 O ATOM 857 OD2 ASP A 60 -10.748 2.696 8.514 1.00 0.00 O ATOM 0 H ASP A 60 -8.637 6.971 9.357 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.109 5.388 11.222 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.955 5.312 8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.601 4.239 8.887 1.00 0.00 H new ATOM 862 N GLY A 61 -6.898 5.208 11.438 1.00 0.00 N ATOM 863 CA GLY A 61 -5.814 4.913 12.367 1.00 0.00 C ATOM 864 C GLY A 61 -4.971 3.726 11.929 1.00 0.00 C ATOM 865 O GLY A 61 -3.821 3.603 12.335 1.00 0.00 O ATOM 0 H GLY A 61 -6.632 5.911 10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.175 5.791 12.464 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.231 4.712 13.354 1.00 0.00 H new ATOM 869 N LYS A 62 -5.514 2.857 11.074 1.00 0.00 N ATOM 870 CA LYS A 62 -4.745 1.739 10.541 1.00 0.00 C ATOM 871 C LYS A 62 -3.863 2.171 9.394 1.00 0.00 C ATOM 872 O LYS A 62 -2.868 1.497 9.153 1.00 0.00 O ATOM 873 CB LYS A 62 -5.650 0.605 10.052 1.00 0.00 C ATOM 874 CG LYS A 62 -6.196 -0.238 11.204 1.00 0.00 C ATOM 875 CD LYS A 62 -7.654 0.065 11.550 1.00 0.00 C ATOM 876 CE LYS A 62 -7.935 -0.626 12.881 1.00 0.00 C ATOM 877 NZ LYS A 62 -9.316 -0.426 13.340 1.00 0.00 N ATOM 0 H LYS A 62 -6.476 2.908 10.740 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.128 1.379 11.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.481 1.025 9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.091 -0.035 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.105 -1.293 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.580 -0.072 12.088 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.819 1.140 11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.322 -0.304 10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.740 -1.694 12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.246 -0.246 13.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.455 -0.915 14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.497 0.591 13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.976 -0.812 12.635 1.00 0.00 H new ATOM 891 N MET A 63 -4.224 3.200 8.631 1.00 0.00 N ATOM 892 CA MET A 63 -3.380 3.597 7.525 1.00 0.00 C ATOM 893 C MET A 63 -2.174 4.306 8.110 1.00 0.00 C ATOM 894 O MET A 63 -2.301 5.400 8.656 1.00 0.00 O ATOM 895 CB MET A 63 -4.104 4.495 6.531 1.00 0.00 C ATOM 896 CG MET A 63 -3.485 4.300 5.144 1.00 0.00 C ATOM 897 SD MET A 63 -4.090 2.875 4.208 1.00 0.00 S ATOM 898 CE MET A 63 -5.856 3.239 4.255 1.00 0.00 C ATOM 0 H MET A 63 -5.070 3.755 8.758 1.00 0.00 H new ATOM 0 HA MET A 63 -3.082 2.712 6.963 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.166 4.252 6.507 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.023 5.538 6.837 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.665 5.200 4.556 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.405 4.204 5.258 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.339 2.812 3.376 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.293 2.807 5.155 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.005 4.319 4.262 1.00 0.00 H new ATOM 908 N GLU A 64 -1.014 3.685 7.969 1.00 0.00 N ATOM 909 CA GLU A 64 0.264 4.236 8.372 1.00 0.00 C ATOM 910 C GLU A 64 1.244 3.999 7.230 1.00 0.00 C ATOM 911 O GLU A 64 0.991 3.218 6.307 1.00 0.00 O ATOM 912 CB GLU A 64 0.720 3.647 9.714 1.00 0.00 C ATOM 913 CG GLU A 64 -0.236 4.104 10.834 1.00 0.00 C ATOM 914 CD GLU A 64 0.192 3.668 12.233 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.303 4.043 12.682 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.589 2.975 12.921 1.00 0.00 O ATOM 0 H GLU A 64 -0.937 2.755 7.558 1.00 0.00 H new ATOM 0 HA GLU A 64 0.196 5.309 8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.736 2.559 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.737 3.969 9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.312 5.191 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.232 3.710 10.631 1.00 0.00 H new ATOM 923 N THR A 65 2.335 4.750 7.240 1.00 0.00 N ATOM 924 CA THR A 65 3.236 4.813 6.105 1.00 0.00 C ATOM 925 C THR A 65 4.201 3.630 6.175 1.00 0.00 C ATOM 926 O THR A 65 4.735 3.336 7.242 1.00 0.00 O ATOM 927 CB THR A 65 3.958 6.163 6.125 1.00 0.00 C ATOM 928 OG1 THR A 65 3.040 7.226 6.325 1.00 0.00 O ATOM 929 CG2 THR A 65 4.694 6.388 4.814 1.00 0.00 C ATOM 0 H THR A 65 2.617 5.329 8.031 1.00 0.00 H new ATOM 0 HA THR A 65 2.695 4.741 5.161 1.00 0.00 H new ATOM 0 HB THR A 65 4.670 6.146 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.524 8.078 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.202 7.352 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.427 5.595 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.981 6.379 3.990 1.00 0.00 H new ATOM 937 N GLY A 66 4.440 2.968 5.041 1.00 0.00 N ATOM 938 CA GLY A 66 5.295 1.790 4.974 1.00 0.00 C ATOM 939 C GLY A 66 4.523 0.489 5.205 1.00 0.00 C ATOM 940 O GLY A 66 5.096 -0.590 5.027 1.00 0.00 O ATOM 0 H GLY A 66 4.042 3.238 4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.780 1.752 3.998 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.086 1.876 5.719 1.00 0.00 H new ATOM 944 N ASP A 67 3.233 0.542 5.549 1.00 0.00 N ATOM 945 CA ASP A 67 2.407 -0.664 5.575 1.00 0.00 C ATOM 946 C ASP A 67 2.259 -1.193 4.135 1.00 0.00 C ATOM 947 O ASP A 67 2.285 -0.420 3.175 1.00 0.00 O ATOM 948 CB ASP A 67 1.023 -0.390 6.169 1.00 0.00 C ATOM 949 CG ASP A 67 0.823 -0.624 7.667 1.00 0.00 C ATOM 950 OD1 ASP A 67 1.776 -0.958 8.397 1.00 0.00 O ATOM 951 OD2 ASP A 67 -0.346 -0.527 8.108 1.00 0.00 O ATOM 0 H ASP A 67 2.744 1.398 5.810 1.00 0.00 H new ATOM 0 HA ASP A 67 2.895 -1.405 6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.769 0.648 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.302 -1.010 5.636 1.00 0.00 H new ATOM 956 N VAL A 68 2.081 -2.502 3.969 1.00 0.00 N ATOM 957 CA VAL A 68 2.155 -3.240 2.703 1.00 0.00 C ATOM 958 C VAL A 68 0.735 -3.606 2.252 1.00 0.00 C ATOM 959 O VAL A 68 0.066 -4.329 2.979 1.00 0.00 O ATOM 960 CB VAL A 68 3.012 -4.504 2.951 1.00 0.00 C ATOM 961 CG1 VAL A 68 2.986 -5.494 1.785 1.00 0.00 C ATOM 962 CG2 VAL A 68 4.485 -4.194 3.260 1.00 0.00 C ATOM 0 H VAL A 68 1.869 -3.114 4.757 1.00 0.00 H new ATOM 0 HA VAL A 68 2.612 -2.642 1.914 1.00 0.00 H new ATOM 0 HB VAL A 68 2.542 -4.954 3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.608 -6.356 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.962 -5.823 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.370 -5.009 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.026 -5.126 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.928 -3.659 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.547 -3.577 4.156 1.00 0.00 H new ATOM 972 N ILE A 69 0.256 -3.134 1.094 1.00 0.00 N ATOM 973 CA ILE A 69 -1.051 -3.453 0.509 1.00 0.00 C ATOM 974 C ILE A 69 -1.054 -4.927 0.107 1.00 0.00 C ATOM 975 O ILE A 69 -0.431 -5.285 -0.895 1.00 0.00 O ATOM 976 CB ILE A 69 -1.362 -2.514 -0.682 1.00 0.00 C ATOM 977 CG1 ILE A 69 -1.550 -1.049 -0.243 1.00 0.00 C ATOM 978 CG2 ILE A 69 -2.632 -2.906 -1.465 1.00 0.00 C ATOM 979 CD1 ILE A 69 -0.261 -0.292 0.058 1.00 0.00 C ATOM 0 H ILE A 69 0.794 -2.490 0.514 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.844 -3.291 1.239 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.488 -2.620 -1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.090 -0.518 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.180 -1.031 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.786 -2.203 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.515 -3.912 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.493 -2.880 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.500 0.728 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.274 -0.792 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.365 -0.271 -0.834 1.00 0.00 H new ATOM 991 N VAL A 70 -1.747 -5.780 0.861 1.00 0.00 N ATOM 992 CA VAL A 70 -1.876 -7.191 0.516 1.00 0.00 C ATOM 993 C VAL A 70 -3.101 -7.403 -0.386 1.00 0.00 C ATOM 994 O VAL A 70 -2.989 -7.929 -1.496 1.00 0.00 O ATOM 995 CB VAL A 70 -1.976 -8.073 1.777 1.00 0.00 C ATOM 996 CG1 VAL A 70 -1.672 -9.515 1.384 1.00 0.00 C ATOM 997 CG2 VAL A 70 -1.115 -7.668 2.980 1.00 0.00 C ATOM 0 H VAL A 70 -2.229 -5.514 1.719 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.978 -7.490 -0.026 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.996 -7.938 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.738 -10.154 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.394 -9.849 0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.666 -9.574 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.279 -8.370 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.063 -7.682 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.390 -6.664 3.303 1.00 0.00 H new ATOM 1007 N TYR A 71 -4.288 -7.025 0.100 1.00 0.00 N ATOM 1008 CA TYR A 71 -5.567 -7.363 -0.515 1.00 0.00 C ATOM 1009 C TYR A 71 -6.407 -6.092 -0.612 1.00 0.00 C ATOM 1010 O TYR A 71 -6.336 -5.249 0.283 1.00 0.00 O ATOM 1011 CB TYR A 71 -6.311 -8.422 0.327 1.00 0.00 C ATOM 1012 CG TYR A 71 -5.608 -9.752 0.573 1.00 0.00 C ATOM 1013 CD1 TYR A 71 -5.749 -10.811 -0.340 1.00 0.00 C ATOM 1014 CD2 TYR A 71 -4.872 -9.977 1.750 1.00 0.00 C ATOM 1015 CE1 TYR A 71 -5.085 -12.037 -0.122 1.00 0.00 C ATOM 1016 CE2 TYR A 71 -4.280 -11.217 2.018 1.00 0.00 C ATOM 1017 CZ TYR A 71 -4.345 -12.246 1.062 1.00 0.00 C ATOM 1018 OH TYR A 71 -3.692 -13.416 1.303 1.00 0.00 O ATOM 0 H TYR A 71 -4.384 -6.465 0.947 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.396 -7.779 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.540 -7.979 1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.263 -8.631 -0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.370 -10.686 -1.215 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.761 -9.174 2.464 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.143 -12.819 -0.864 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.774 -11.383 2.958 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.239 -13.365 2.171 1.00 0.00 H new ATOM 1028 N ILE A 72 -7.224 -5.948 -1.654 1.00 0.00 N ATOM 1029 CA ILE A 72 -8.179 -4.851 -1.801 1.00 0.00 C ATOM 1030 C ILE A 72 -9.548 -5.482 -1.951 1.00 0.00 C ATOM 1031 O ILE A 72 -9.802 -6.221 -2.906 1.00 0.00 O ATOM 1032 CB ILE A 72 -7.840 -3.886 -2.964 1.00 0.00 C ATOM 1033 CG1 ILE A 72 -6.485 -3.211 -2.653 1.00 0.00 C ATOM 1034 CG2 ILE A 72 -8.977 -2.842 -3.128 1.00 0.00 C ATOM 1035 CD1 ILE A 72 -6.000 -2.198 -3.693 1.00 0.00 C ATOM 0 H ILE A 72 -7.241 -6.604 -2.435 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.142 -4.211 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.757 -4.427 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.562 -2.708 -1.689 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.728 -3.988 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.734 -2.165 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.913 -3.355 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.083 -2.271 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.042 -1.784 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.882 -2.694 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.730 -1.394 -3.786 1.00 0.00 H new ATOM 1047 N ASN A 73 -10.423 -5.131 -1.012 1.00 0.00 N ATOM 1048 CA ASN A 73 -11.829 -5.488 -0.935 1.00 0.00 C ATOM 1049 C ASN A 73 -12.013 -6.974 -0.647 1.00 0.00 C ATOM 1050 O ASN A 73 -12.422 -7.337 0.454 1.00 0.00 O ATOM 1051 CB ASN A 73 -12.599 -4.977 -2.163 1.00 0.00 C ATOM 1052 CG ASN A 73 -13.918 -4.350 -1.754 1.00 0.00 C ATOM 1053 OD1 ASN A 73 -13.961 -3.506 -0.861 1.00 0.00 O ATOM 1054 ND2 ASN A 73 -15.003 -4.697 -2.397 1.00 0.00 N ATOM 0 H ASN A 73 -10.141 -4.544 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.275 -4.978 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.994 -4.244 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.782 -5.802 -2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.896 -4.266 -2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -14.956 -5.398 -3.136 1.00 0.00 H new ATOM 1061 N GLU A 74 -11.668 -7.823 -1.610 1.00 0.00 N ATOM 1062 CA GLU A 74 -11.754 -9.277 -1.560 1.00 0.00 C ATOM 1063 C GLU A 74 -10.858 -9.911 -2.641 1.00 0.00 C ATOM 1064 O GLU A 74 -11.165 -11.002 -3.124 1.00 0.00 O ATOM 1065 CB GLU A 74 -13.234 -9.689 -1.688 1.00 0.00 C ATOM 1066 CG GLU A 74 -13.838 -9.310 -3.051 1.00 0.00 C ATOM 1067 CD GLU A 74 -15.087 -8.443 -2.923 1.00 0.00 C ATOM 1068 OE1 GLU A 74 -16.125 -8.974 -2.459 1.00 0.00 O ATOM 1069 OE2 GLU A 74 -15.014 -7.264 -3.332 1.00 0.00 O ATOM 0 H GLU A 74 -11.298 -7.492 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.382 -9.649 -0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.321 -10.766 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.810 -9.213 -0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.090 -8.778 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.087 -10.219 -3.599 1.00 0.00 H new ATOM 1076 N VAL A 75 -9.799 -9.213 -3.068 1.00 0.00 N ATOM 1077 CA VAL A 75 -8.909 -9.608 -4.155 1.00 0.00 C ATOM 1078 C VAL A 75 -7.470 -9.470 -3.662 1.00 0.00 C ATOM 1079 O VAL A 75 -7.104 -8.424 -3.117 1.00 0.00 O ATOM 1080 CB VAL A 75 -9.180 -8.723 -5.395 1.00 0.00 C ATOM 1081 CG1 VAL A 75 -8.232 -9.054 -6.556 1.00 0.00 C ATOM 1082 CG2 VAL A 75 -10.629 -8.891 -5.878 1.00 0.00 C ATOM 0 H VAL A 75 -9.532 -8.323 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.083 -10.643 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.007 -7.692 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.458 -8.409 -7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.201 -8.892 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.363 -10.096 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.797 -8.260 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.805 -9.933 -6.145 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.314 -8.600 -5.082 1.00 0.00 H new ATOM 1092 N CYS A 76 -6.646 -10.504 -3.850 1.00 0.00 N ATOM 1093 CA CYS A 76 -5.203 -10.417 -3.673 1.00 0.00 C ATOM 1094 C CYS A 76 -4.596 -9.489 -4.718 1.00 0.00 C ATOM 1095 O CYS A 76 -4.766 -9.700 -5.919 1.00 0.00 O ATOM 1096 CB CYS A 76 -4.553 -11.807 -3.724 1.00 0.00 C ATOM 1097 SG CYS A 76 -5.171 -12.868 -5.059 1.00 0.00 S ATOM 0 H CYS A 76 -6.969 -11.430 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.005 -9.999 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -3.476 -11.688 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.718 -12.308 -2.770 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.561 -14.015 -5.019 1.00 0.00 H new ATOM 1103 N VAL A 77 -3.837 -8.494 -4.262 1.00 0.00 N ATOM 1104 CA VAL A 77 -3.125 -7.565 -5.129 1.00 0.00 C ATOM 1105 C VAL A 77 -1.626 -7.483 -4.781 1.00 0.00 C ATOM 1106 O VAL A 77 -0.950 -6.573 -5.237 1.00 0.00 O ATOM 1107 CB VAL A 77 -3.823 -6.188 -5.146 1.00 0.00 C ATOM 1108 CG1 VAL A 77 -5.268 -6.264 -5.667 1.00 0.00 C ATOM 1109 CG2 VAL A 77 -3.814 -5.501 -3.775 1.00 0.00 C ATOM 0 H VAL A 77 -3.699 -8.311 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.165 -7.951 -6.147 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.235 -5.585 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.711 -5.268 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.268 -6.651 -6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.851 -6.927 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.318 -4.537 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.333 -6.128 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.784 -5.348 -3.451 1.00 0.00 H new ATOM 1119 N LEU A 78 -1.103 -8.407 -3.970 1.00 0.00 N ATOM 1120 CA LEU A 78 0.220 -8.327 -3.338 1.00 0.00 C ATOM 1121 C LEU A 78 1.426 -8.398 -4.283 1.00 0.00 C ATOM 1122 O LEU A 78 2.540 -8.105 -3.858 1.00 0.00 O ATOM 1123 CB LEU A 78 0.242 -9.290 -2.150 1.00 0.00 C ATOM 1124 CG LEU A 78 0.559 -10.765 -2.429 1.00 0.00 C ATOM 1125 CD1 LEU A 78 2.065 -10.990 -2.410 1.00 0.00 C ATOM 1126 CD2 LEU A 78 0.001 -11.647 -1.307 1.00 0.00 C ATOM 0 H LEU A 78 -1.605 -9.261 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 78 0.359 -7.313 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.975 -8.920 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.732 -9.243 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 78 0.122 -11.014 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.279 -12.040 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.535 -10.373 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.461 -10.718 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.232 -12.691 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.453 -11.358 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.080 -11.520 -1.247 1.00 0.00 H new ATOM 1138 N GLY A 79 1.217 -8.778 -5.542 1.00 0.00 N ATOM 1139 CA GLY A 79 2.189 -8.633 -6.622 1.00 0.00 C ATOM 1140 C GLY A 79 1.527 -7.970 -7.825 1.00 0.00 C ATOM 1141 O GLY A 79 1.917 -8.244 -8.960 1.00 0.00 O ATOM 0 H GLY A 79 0.343 -9.207 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.035 -8.034 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.582 -9.610 -6.904 1.00 0.00 H new ATOM 1145 N HIS A 80 0.472 -7.179 -7.596 1.00 0.00 N ATOM 1146 CA HIS A 80 -0.282 -6.529 -8.655 1.00 0.00 C ATOM 1147 C HIS A 80 0.325 -5.168 -8.935 1.00 0.00 C ATOM 1148 O HIS A 80 0.869 -4.504 -8.045 1.00 0.00 O ATOM 1149 CB HIS A 80 -1.765 -6.432 -8.292 1.00 0.00 C ATOM 1150 CG HIS A 80 -2.747 -6.612 -9.424 1.00 0.00 C ATOM 1151 ND1 HIS A 80 -3.983 -6.012 -9.539 1.00 0.00 N ATOM 1152 CD2 HIS A 80 -2.682 -7.599 -10.369 1.00 0.00 C ATOM 1153 CE1 HIS A 80 -4.649 -6.629 -10.530 1.00 0.00 C ATOM 1154 NE2 HIS A 80 -3.903 -7.619 -11.056 1.00 0.00 N ATOM 0 H HIS A 80 0.121 -6.975 -6.660 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.223 -7.127 -9.564 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.980 -7.182 -7.531 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.942 -5.457 -7.838 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.839 -8.248 -10.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.644 -6.367 -10.859 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.173 -8.256 -11.805 1.00 0.00 H new ATOM 1162 N THR A 81 0.201 -4.754 -10.186 1.00 0.00 N ATOM 1163 CA THR A 81 0.872 -3.583 -10.700 1.00 0.00 C ATOM 1164 C THR A 81 0.106 -2.352 -10.218 1.00 0.00 C ATOM 1165 O THR A 81 -1.131 -2.340 -10.156 1.00 0.00 O ATOM 1166 CB THR A 81 1.083 -3.695 -12.228 1.00 0.00 C ATOM 1167 OG1 THR A 81 1.124 -2.435 -12.854 1.00 0.00 O ATOM 1168 CG2 THR A 81 0.042 -4.551 -12.961 1.00 0.00 C ATOM 0 H THR A 81 -0.377 -5.232 -10.877 1.00 0.00 H new ATOM 0 HA THR A 81 1.886 -3.488 -10.313 1.00 0.00 H new ATOM 0 HB THR A 81 2.047 -4.197 -12.308 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.260 -2.553 -13.817 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.272 -4.571 -14.026 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.063 -5.567 -12.566 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.950 -4.124 -12.812 1.00 0.00 H new ATOM 1176 N HIS A 82 0.860 -1.308 -9.882 1.00 0.00 N ATOM 1177 CA HIS A 82 0.373 -0.016 -9.444 1.00 0.00 C ATOM 1178 C HIS A 82 -0.534 0.621 -10.497 1.00 0.00 C ATOM 1179 O HIS A 82 -1.404 1.411 -10.142 1.00 0.00 O ATOM 1180 CB HIS A 82 1.597 0.853 -9.109 1.00 0.00 C ATOM 1181 CG HIS A 82 1.286 2.069 -8.281 1.00 0.00 C ATOM 1182 ND1 HIS A 82 1.728 3.353 -8.505 1.00 0.00 N ATOM 1183 CD2 HIS A 82 0.560 2.072 -7.124 1.00 0.00 C ATOM 1184 CE1 HIS A 82 1.252 4.121 -7.508 1.00 0.00 C ATOM 1185 NE2 HIS A 82 0.541 3.381 -6.640 1.00 0.00 N ATOM 0 H HIS A 82 1.879 -1.350 -9.912 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.247 -0.119 -8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 82 2.326 0.242 -8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 82 2.067 1.172 -10.039 1.00 0.00 H new ATOM 0 HD1 HIS A 82 2.309 3.665 -9.283 1.00 0.00 H new ATOM 0 HD2 HIS A 82 0.086 1.216 -6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.418 5.184 -7.418 1.00 0.00 H new ATOM 1193 N ALA A 83 -0.416 0.249 -11.771 1.00 0.00 N ATOM 1194 CA ALA A 83 -1.373 0.660 -12.787 1.00 0.00 C ATOM 1195 C ALA A 83 -2.768 0.117 -12.471 1.00 0.00 C ATOM 1196 O ALA A 83 -3.748 0.866 -12.502 1.00 0.00 O ATOM 1197 CB ALA A 83 -0.916 0.158 -14.159 1.00 0.00 C ATOM 0 H ALA A 83 0.339 -0.340 -12.122 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.423 1.749 -12.797 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.635 0.467 -14.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.062 0.578 -14.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.849 -0.930 -14.145 1.00 0.00 H new ATOM 1203 N ASP A 84 -2.873 -1.185 -12.201 1.00 0.00 N ATOM 1204 CA ASP A 84 -4.149 -1.861 -11.979 1.00 0.00 C ATOM 1205 C ASP A 84 -4.717 -1.447 -10.623 1.00 0.00 C ATOM 1206 O ASP A 84 -5.865 -1.043 -10.512 1.00 0.00 O ATOM 1207 CB ASP A 84 -3.989 -3.386 -12.053 1.00 0.00 C ATOM 1208 CG ASP A 84 -5.325 -4.021 -12.453 1.00 0.00 C ATOM 1209 OD1 ASP A 84 -6.267 -4.046 -11.634 1.00 0.00 O ATOM 1210 OD2 ASP A 84 -5.443 -4.473 -13.611 1.00 0.00 O ATOM 0 H ASP A 84 -2.066 -1.805 -12.130 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.842 -1.564 -12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -3.219 -3.647 -12.779 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.663 -3.775 -11.088 1.00 0.00 H new ATOM 1215 N VAL A 85 -3.899 -1.459 -9.574 1.00 0.00 N ATOM 1216 CA VAL A 85 -4.304 -1.064 -8.230 1.00 0.00 C ATOM 1217 C VAL A 85 -4.771 0.390 -8.201 1.00 0.00 C ATOM 1218 O VAL A 85 -5.806 0.682 -7.596 1.00 0.00 O ATOM 1219 CB VAL A 85 -3.171 -1.414 -7.246 1.00 0.00 C ATOM 1220 CG1 VAL A 85 -3.223 -0.649 -5.920 1.00 0.00 C ATOM 1221 CG2 VAL A 85 -3.289 -2.913 -6.957 1.00 0.00 C ATOM 0 H VAL A 85 -2.923 -1.748 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.179 -1.626 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.226 -1.132 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.389 -0.957 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.154 0.421 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.162 -0.866 -5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.505 -3.212 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.264 -3.123 -6.517 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.182 -3.472 -7.886 1.00 0.00 H new ATOM 1231 N VAL A 86 -4.099 1.312 -8.890 1.00 0.00 N ATOM 1232 CA VAL A 86 -4.616 2.670 -8.972 1.00 0.00 C ATOM 1233 C VAL A 86 -5.930 2.688 -9.770 1.00 0.00 C ATOM 1234 O VAL A 86 -6.844 3.421 -9.385 1.00 0.00 O ATOM 1235 CB VAL A 86 -3.518 3.620 -9.477 1.00 0.00 C ATOM 1236 CG1 VAL A 86 -4.089 5.023 -9.696 1.00 0.00 C ATOM 1237 CG2 VAL A 86 -2.403 3.718 -8.413 1.00 0.00 C ATOM 0 H VAL A 86 -3.222 1.148 -9.384 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.884 3.048 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.125 3.231 -10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.300 5.685 -10.054 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.889 4.979 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.485 5.406 -8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.621 4.391 -8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.821 4.103 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.979 2.729 -8.238 1.00 0.00 H new ATOM 1247 N LYS A 87 -6.096 1.844 -10.799 1.00 0.00 N ATOM 1248 CA LYS A 87 -7.386 1.684 -11.489 1.00 0.00 C ATOM 1249 C LYS A 87 -8.458 1.252 -10.488 1.00 0.00 C ATOM 1250 O LYS A 87 -9.582 1.753 -10.514 1.00 0.00 O ATOM 1251 CB LYS A 87 -7.232 0.728 -12.704 1.00 0.00 C ATOM 1252 CG LYS A 87 -7.966 -0.631 -12.699 1.00 0.00 C ATOM 1253 CD LYS A 87 -9.403 -0.553 -13.215 1.00 0.00 C ATOM 1254 CE LYS A 87 -9.412 -0.802 -14.723 1.00 0.00 C ATOM 1255 NZ LYS A 87 -9.704 -2.216 -15.030 1.00 0.00 N ATOM 0 H LYS A 87 -5.349 1.259 -11.174 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.718 2.637 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.557 1.272 -13.591 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.168 0.524 -12.827 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.407 -1.339 -13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.975 -1.026 -11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.024 -1.292 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.828 0.426 -12.994 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.159 -0.163 -15.195 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.445 -0.528 -15.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.703 -2.355 -16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.977 -2.822 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.637 -2.469 -14.647 1.00 0.00 H new ATOM 1269 N LEU A 88 -8.115 0.347 -9.577 1.00 0.00 N ATOM 1270 CA LEU A 88 -9.037 -0.259 -8.628 1.00 0.00 C ATOM 1271 C LEU A 88 -9.486 0.783 -7.609 1.00 0.00 C ATOM 1272 O LEU A 88 -10.659 0.796 -7.234 1.00 0.00 O ATOM 1273 CB LEU A 88 -8.365 -1.475 -7.960 1.00 0.00 C ATOM 1274 CG LEU A 88 -8.387 -2.730 -8.855 1.00 0.00 C ATOM 1275 CD1 LEU A 88 -7.319 -3.740 -8.414 1.00 0.00 C ATOM 1276 CD2 LEU A 88 -9.774 -3.382 -8.820 1.00 0.00 C ATOM 0 H LEU A 88 -7.159 0.006 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.928 -0.616 -9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.332 -1.226 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.871 -1.695 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.164 -2.421 -9.876 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.357 -4.616 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.333 -3.280 -8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.508 -4.043 -7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -9.776 -4.267 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -10.015 -3.670 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -10.519 -2.673 -9.182 1.00 0.00 H new ATOM 1288 N PHE A 89 -8.591 1.684 -7.199 1.00 0.00 N ATOM 1289 CA PHE A 89 -8.915 2.800 -6.318 1.00 0.00 C ATOM 1290 C PHE A 89 -9.712 3.894 -7.053 1.00 0.00 C ATOM 1291 O PHE A 89 -10.657 4.451 -6.487 1.00 0.00 O ATOM 1292 CB PHE A 89 -7.621 3.370 -5.718 1.00 0.00 C ATOM 1293 CG PHE A 89 -6.904 2.506 -4.685 1.00 0.00 C ATOM 1294 CD1 PHE A 89 -7.541 2.165 -3.476 1.00 0.00 C ATOM 1295 CD2 PHE A 89 -5.555 2.138 -4.863 1.00 0.00 C ATOM 1296 CE1 PHE A 89 -6.809 1.606 -2.417 1.00 0.00 C ATOM 1297 CE2 PHE A 89 -4.850 1.494 -3.832 1.00 0.00 C ATOM 1298 CZ PHE A 89 -5.462 1.259 -2.593 1.00 0.00 C ATOM 0 H PHE A 89 -7.609 1.656 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.552 2.432 -5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.927 3.570 -6.534 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.854 4.329 -5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.602 2.335 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.060 2.353 -5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.286 1.442 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.830 1.178 -3.995 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.902 0.816 -1.783 1.00 0.00 H new ATOM 1308 N GLN A 90 -9.357 4.219 -8.306 1.00 0.00 N ATOM 1309 CA GLN A 90 -10.116 5.138 -9.162 1.00 0.00 C ATOM 1310 C GLN A 90 -11.558 4.652 -9.315 1.00 0.00 C ATOM 1311 O GLN A 90 -12.487 5.447 -9.214 1.00 0.00 O ATOM 1312 CB GLN A 90 -9.452 5.282 -10.542 1.00 0.00 C ATOM 1313 CG GLN A 90 -8.232 6.214 -10.570 1.00 0.00 C ATOM 1314 CD GLN A 90 -8.612 7.694 -10.498 1.00 0.00 C ATOM 1315 OE1 GLN A 90 -8.776 8.240 -9.408 1.00 0.00 O ATOM 1316 NE2 GLN A 90 -8.766 8.375 -11.621 1.00 0.00 N ATOM 0 H GLN A 90 -8.523 3.844 -8.757 1.00 0.00 H new ATOM 0 HA GLN A 90 -10.123 6.118 -8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -9.147 4.295 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.193 5.653 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.576 5.971 -9.734 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.664 6.034 -11.483 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -8.628 7.914 -12.520 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.023 9.362 -11.588 1.00 0.00 H new ATOM 1325 N SER A 91 -11.746 3.344 -9.493 1.00 0.00 N ATOM 1326 CA SER A 91 -13.040 2.717 -9.722 1.00 0.00 C ATOM 1327 C SER A 91 -14.014 2.822 -8.535 1.00 0.00 C ATOM 1328 O SER A 91 -15.144 2.347 -8.667 1.00 0.00 O ATOM 1329 CB SER A 91 -12.817 1.242 -10.078 1.00 0.00 C ATOM 1330 OG SER A 91 -12.027 1.081 -11.246 1.00 0.00 O ATOM 0 H SER A 91 -10.976 2.675 -9.481 1.00 0.00 H new ATOM 0 HA SER A 91 -13.512 3.261 -10.540 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.331 0.739 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.782 0.757 -10.225 1.00 0.00 H new ATOM 0 HG SER A 91 -11.079 1.065 -11.000 1.00 0.00 H new ATOM 1336 N VAL A 92 -13.635 3.395 -7.389 1.00 0.00 N ATOM 1337 CA VAL A 92 -14.520 3.567 -6.239 1.00 0.00 C ATOM 1338 C VAL A 92 -15.152 4.968 -6.327 1.00 0.00 C ATOM 1339 O VAL A 92 -14.420 5.953 -6.189 1.00 0.00 O ATOM 1340 CB VAL A 92 -13.741 3.345 -4.924 1.00 0.00 C ATOM 1341 CG1 VAL A 92 -14.686 3.369 -3.713 1.00 0.00 C ATOM 1342 CG2 VAL A 92 -12.987 2.008 -4.919 1.00 0.00 C ATOM 0 H VAL A 92 -12.694 3.756 -7.234 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.319 2.826 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.021 4.161 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -14.112 3.210 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -15.188 4.335 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.430 2.579 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.454 1.895 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.697 1.189 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -12.274 1.989 -5.743 1.00 0.00 H new ATOM 1352 N PRO A 93 -16.466 5.107 -6.593 1.00 0.00 N ATOM 1353 CA PRO A 93 -17.145 6.399 -6.535 1.00 0.00 C ATOM 1354 C PRO A 93 -17.319 6.877 -5.081 1.00 0.00 C ATOM 1355 O PRO A 93 -17.037 6.139 -4.133 1.00 0.00 O ATOM 1356 CB PRO A 93 -18.470 6.194 -7.270 1.00 0.00 C ATOM 1357 CG PRO A 93 -18.768 4.708 -7.117 1.00 0.00 C ATOM 1358 CD PRO A 93 -17.416 4.044 -6.885 1.00 0.00 C ATOM 0 HA PRO A 93 -16.568 7.193 -7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -19.262 6.804 -6.836 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.389 6.476 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.443 4.527 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.252 4.311 -8.009 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.470 3.337 -6.057 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.106 3.481 -7.765 1.00 0.00 H new ATOM 1366 N ILE A 94 -17.730 8.137 -4.886 1.00 0.00 N ATOM 1367 CA ILE A 94 -17.783 8.742 -3.551 1.00 0.00 C ATOM 1368 C ILE A 94 -18.920 8.103 -2.750 1.00 0.00 C ATOM 1369 O ILE A 94 -19.944 7.689 -3.300 1.00 0.00 O ATOM 1370 CB ILE A 94 -17.812 10.291 -3.650 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -16.367 10.752 -3.958 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -18.304 11.004 -2.377 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -16.208 12.252 -4.221 1.00 0.00 C ATOM 0 H ILE A 94 -18.031 8.757 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.875 8.532 -2.987 1.00 0.00 H new ATOM 0 HB ILE A 94 -18.525 10.558 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -15.727 10.476 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.005 10.205 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -18.291 12.082 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -19.320 10.683 -2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.649 10.753 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.161 12.476 -4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -16.816 12.537 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -16.533 12.812 -3.344 1.00 0.00 H new ATOM 1385 N GLY A 95 -18.732 8.022 -1.433 1.00 0.00 N ATOM 1386 CA GLY A 95 -19.689 7.460 -0.494 1.00 0.00 C ATOM 1387 C GLY A 95 -19.638 5.933 -0.420 1.00 0.00 C ATOM 1388 O GLY A 95 -20.201 5.373 0.520 1.00 0.00 O ATOM 0 H GLY A 95 -17.881 8.358 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.499 7.871 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.694 7.770 -0.781 1.00 0.00 H new ATOM 1392 N GLN A 96 -18.934 5.246 -1.329 1.00 0.00 N ATOM 1393 CA GLN A 96 -18.710 3.810 -1.199 1.00 0.00 C ATOM 1394 C GLN A 96 -17.503 3.602 -0.292 1.00 0.00 C ATOM 1395 O GLN A 96 -16.641 4.478 -0.187 1.00 0.00 O ATOM 1396 CB GLN A 96 -18.436 3.171 -2.571 1.00 0.00 C ATOM 1397 CG GLN A 96 -19.451 3.508 -3.672 1.00 0.00 C ATOM 1398 CD GLN A 96 -20.895 3.157 -3.326 1.00 0.00 C ATOM 1399 OE1 GLN A 96 -21.488 3.694 -2.391 1.00 0.00 O ATOM 1400 NE2 GLN A 96 -21.513 2.273 -4.081 1.00 0.00 N ATOM 0 H GLN A 96 -18.513 5.665 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 96 -19.599 3.340 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -17.446 3.482 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -18.405 2.088 -2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -19.391 4.574 -3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -19.170 2.980 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -21.019 1.829 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -22.486 2.032 -3.892 1.00 0.00 H new ATOM 1409 N SER A 97 -17.399 2.436 0.334 1.00 0.00 N ATOM 1410 CA SER A 97 -16.297 2.064 1.190 1.00 0.00 C ATOM 1411 C SER A 97 -15.725 0.742 0.696 1.00 0.00 C ATOM 1412 O SER A 97 -16.464 -0.084 0.151 1.00 0.00 O ATOM 1413 CB SER A 97 -16.797 1.987 2.636 1.00 0.00 C ATOM 1414 OG SER A 97 -18.069 1.374 2.752 1.00 0.00 O ATOM 0 H SER A 97 -18.106 1.705 0.252 1.00 0.00 H new ATOM 0 HA SER A 97 -15.497 2.804 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 97 -16.076 1.430 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 97 -16.846 2.994 3.051 1.00 0.00 H new ATOM 0 HG SER A 97 -18.336 1.351 3.695 1.00 0.00 H new ATOM 1420 N VAL A 98 -14.423 0.548 0.881 1.00 0.00 N ATOM 1421 CA VAL A 98 -13.704 -0.623 0.400 1.00 0.00 C ATOM 1422 C VAL A 98 -12.771 -1.135 1.482 1.00 0.00 C ATOM 1423 O VAL A 98 -12.165 -0.341 2.206 1.00 0.00 O ATOM 1424 CB VAL A 98 -12.930 -0.291 -0.890 1.00 0.00 C ATOM 1425 CG1 VAL A 98 -13.905 -0.144 -2.061 1.00 0.00 C ATOM 1426 CG2 VAL A 98 -12.111 0.995 -0.751 1.00 0.00 C ATOM 0 H VAL A 98 -13.829 1.212 1.378 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.421 -1.409 0.163 1.00 0.00 H new ATOM 0 HB VAL A 98 -12.240 -1.114 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.350 0.091 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -14.450 -1.078 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -14.610 0.660 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.581 1.192 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -12.777 1.829 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.390 0.882 0.059 1.00 0.00 H new ATOM 1436 N ASN A 99 -12.613 -2.453 1.555 1.00 0.00 N ATOM 1437 CA ASN A 99 -11.774 -3.073 2.574 1.00 0.00 C ATOM 1438 C ASN A 99 -10.348 -3.009 2.064 1.00 0.00 C ATOM 1439 O ASN A 99 -10.098 -3.009 0.853 1.00 0.00 O ATOM 1440 CB ASN A 99 -12.090 -4.561 2.832 1.00 0.00 C ATOM 1441 CG ASN A 99 -13.516 -4.851 3.253 1.00 0.00 C ATOM 1442 OD1 ASN A 99 -14.323 -5.306 2.446 1.00 0.00 O ATOM 1443 ND2 ASN A 99 -13.858 -4.634 4.506 1.00 0.00 N ATOM 0 H ASN A 99 -13.057 -3.114 0.918 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.947 -2.538 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.873 -5.125 1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.417 -4.931 3.605 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.806 -4.844 4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.175 -4.256 5.163 1.00 0.00 H new ATOM 1450 N LEU A 100 -9.407 -3.035 2.992 1.00 0.00 N ATOM 1451 CA LEU A 100 -7.988 -3.148 2.740 1.00 0.00 C ATOM 1452 C LEU A 100 -7.444 -4.080 3.819 1.00 0.00 C ATOM 1453 O LEU A 100 -7.992 -4.126 4.923 1.00 0.00 O ATOM 1454 CB LEU A 100 -7.346 -1.758 2.849 1.00 0.00 C ATOM 1455 CG LEU A 100 -7.788 -0.722 1.796 1.00 0.00 C ATOM 1456 CD1 LEU A 100 -7.168 0.618 2.177 1.00 0.00 C ATOM 1457 CD2 LEU A 100 -7.364 -1.059 0.364 1.00 0.00 C ATOM 0 H LEU A 100 -9.626 -2.975 3.986 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.772 -3.538 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.564 -1.356 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.264 -1.874 2.783 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.878 -0.707 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.462 1.375 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.516 0.912 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.082 0.527 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.715 -0.280 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.277 -1.122 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.798 -2.015 0.072 1.00 0.00 H new ATOM 1469 N VAL A 101 -6.360 -4.782 3.507 1.00 0.00 N ATOM 1470 CA VAL A 101 -5.590 -5.602 4.429 1.00 0.00 C ATOM 1471 C VAL A 101 -4.171 -5.140 4.193 1.00 0.00 C ATOM 1472 O VAL A 101 -3.652 -5.358 3.090 1.00 0.00 O ATOM 1473 CB VAL A 101 -5.710 -7.108 4.126 1.00 0.00 C ATOM 1474 CG1 VAL A 101 -5.035 -7.978 5.193 1.00 0.00 C ATOM 1475 CG2 VAL A 101 -7.173 -7.563 3.993 1.00 0.00 C ATOM 0 H VAL A 101 -5.979 -4.794 2.561 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.936 -5.490 5.457 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.198 -7.243 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.149 -9.030 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.975 -7.731 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.500 -7.793 6.161 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.204 -8.631 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.702 -7.364 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.651 -7.017 3.180 1.00 0.00 H new ATOM 1485 N LEU A 102 -3.569 -4.475 5.179 1.00 0.00 N ATOM 1486 CA LEU A 102 -2.150 -4.178 5.086 1.00 0.00 C ATOM 1487 C LEU A 102 -1.359 -5.145 5.962 1.00 0.00 C ATOM 1488 O LEU A 102 -1.935 -5.835 6.804 1.00 0.00 O ATOM 1489 CB LEU A 102 -1.785 -2.711 5.372 1.00 0.00 C ATOM 1490 CG LEU A 102 -2.575 -1.589 4.666 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -1.917 -0.208 4.802 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -2.652 -1.795 3.166 1.00 0.00 C ATOM 0 H LEU A 102 -4.030 -4.142 6.026 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.870 -4.324 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.879 -2.553 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.732 -2.580 5.121 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.550 -1.629 5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.522 0.536 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.841 0.057 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.920 -0.235 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.218 -0.980 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.645 -1.812 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.149 -2.742 2.954 1.00 0.00 H new ATOM 1504 N CYS A 103 -0.036 -5.163 5.799 1.00 0.00 N ATOM 1505 CA CYS A 103 0.897 -5.821 6.703 1.00 0.00 C ATOM 1506 C CYS A 103 1.919 -4.790 7.196 1.00 0.00 C ATOM 1507 O CYS A 103 2.342 -3.915 6.432 1.00 0.00 O ATOM 1508 CB CYS A 103 1.550 -7.021 6.003 1.00 0.00 C ATOM 1509 SG CYS A 103 2.536 -7.971 7.193 1.00 0.00 S ATOM 0 H CYS A 103 0.425 -4.707 5.012 1.00 0.00 H new ATOM 0 HA CYS A 103 0.376 -6.217 7.575 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.783 -7.658 5.563 1.00 0.00 H new ATOM 0 HB3 CYS A 103 2.184 -6.676 5.186 1.00 0.00 H new ATOM 0 HG CYS A 103 2.013 -9.151 7.346 1.00 0.00 H new ATOM 1515 N ARG A 104 2.309 -4.897 8.466 1.00 0.00 N ATOM 1516 CA ARG A 104 3.113 -3.933 9.208 1.00 0.00 C ATOM 1517 C ARG A 104 4.431 -4.542 9.621 1.00 0.00 C ATOM 1518 O ARG A 104 4.425 -5.643 10.171 1.00 0.00 O ATOM 1519 CB ARG A 104 2.372 -3.532 10.488 1.00 0.00 C ATOM 1520 CG ARG A 104 3.020 -2.293 11.128 1.00 0.00 C ATOM 1521 CD ARG A 104 2.035 -1.513 11.988 1.00 0.00 C ATOM 1522 NE ARG A 104 1.042 -0.860 11.131 1.00 0.00 N ATOM 1523 CZ ARG A 104 0.112 0.003 11.531 1.00 0.00 C ATOM 1524 NH1 ARG A 104 0.030 0.370 12.803 1.00 0.00 N ATOM 1525 NH2 ARG A 104 -0.726 0.495 10.639 1.00 0.00 N ATOM 0 H ARG A 104 2.057 -5.705 9.034 1.00 0.00 H new ATOM 0 HA ARG A 104 3.287 -3.071 8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.327 -3.324 10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 104 2.384 -4.361 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.868 -2.602 11.739 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.411 -1.643 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.539 -2.184 12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.565 -0.767 12.580 1.00 0.00 H new ATOM 0 HE ARG A 104 1.066 -1.088 10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.684 -0.010 13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.688 1.033 13.097 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.654 0.212 9.662 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.446 1.158 10.927 1.00 0.00 H new ATOM 1539 N GLY A 105 5.518 -3.788 9.536 1.00 0.00 N ATOM 1540 CA GLY A 105 6.812 -4.131 10.108 1.00 0.00 C ATOM 1541 C GLY A 105 7.924 -4.092 9.070 1.00 0.00 C ATOM 1542 O GLY A 105 9.100 -4.064 9.454 1.00 0.00 O ATOM 0 H GLY A 105 5.523 -2.891 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.046 -3.438 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.761 -5.127 10.547 1.00 0.00 H new ATOM 1546 N TYR A 106 7.577 -4.062 7.779 1.00 0.00 N ATOM 1547 CA TYR A 106 8.520 -3.746 6.723 1.00 0.00 C ATOM 1548 C TYR A 106 8.855 -2.246 6.838 1.00 0.00 C ATOM 1549 O TYR A 106 7.983 -1.436 7.171 1.00 0.00 O ATOM 1550 CB TYR A 106 7.930 -4.105 5.343 1.00 0.00 C ATOM 1551 CG TYR A 106 7.890 -5.600 5.046 1.00 0.00 C ATOM 1552 CD1 TYR A 106 6.871 -6.432 5.560 1.00 0.00 C ATOM 1553 CD2 TYR A 106 8.904 -6.174 4.253 1.00 0.00 C ATOM 1554 CE1 TYR A 106 6.924 -7.822 5.363 1.00 0.00 C ATOM 1555 CE2 TYR A 106 8.931 -7.557 4.007 1.00 0.00 C ATOM 1556 CZ TYR A 106 7.952 -8.395 4.584 1.00 0.00 C ATOM 1557 OH TYR A 106 7.996 -9.744 4.402 1.00 0.00 O ATOM 0 H TYR A 106 6.633 -4.257 7.446 1.00 0.00 H new ATOM 0 HA TYR A 106 9.433 -4.332 6.826 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.917 -3.707 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.517 -3.609 4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.047 -5.998 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 106 9.670 -5.542 3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 106 6.173 -8.456 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 106 9.700 -7.979 3.377 1.00 0.00 H new ATOM 0 HH TYR A 106 8.765 -9.973 3.840 1.00 0.00 H new ATOM 1567 N PRO A 107 10.110 -1.837 6.599 1.00 0.00 N ATOM 1568 CA PRO A 107 10.458 -0.432 6.439 1.00 0.00 C ATOM 1569 C PRO A 107 9.897 0.101 5.113 1.00 0.00 C ATOM 1570 O PRO A 107 9.380 -0.661 4.288 1.00 0.00 O ATOM 1571 CB PRO A 107 11.986 -0.391 6.502 1.00 0.00 C ATOM 1572 CG PRO A 107 12.415 -1.775 6.014 1.00 0.00 C ATOM 1573 CD PRO A 107 11.267 -2.693 6.414 1.00 0.00 C ATOM 0 HA PRO A 107 10.031 0.208 7.211 1.00 0.00 H new ATOM 0 HB2 PRO A 107 12.390 0.398 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.338 -0.198 7.515 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.573 -1.784 4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.352 -2.086 6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.079 -3.440 5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.502 -3.233 7.331 1.00 0.00 H new ATOM 1581 N LEU A 108 10.027 1.407 4.879 1.00 0.00 N ATOM 1582 CA LEU A 108 9.612 2.041 3.628 1.00 0.00 C ATOM 1583 C LEU A 108 10.437 1.532 2.439 1.00 0.00 C ATOM 1584 O LEU A 108 11.543 1.012 2.647 1.00 0.00 O ATOM 1585 CB LEU A 108 9.807 3.562 3.739 1.00 0.00 C ATOM 1586 CG LEU A 108 8.544 4.294 4.241 1.00 0.00 C ATOM 1587 CD1 LEU A 108 8.771 4.921 5.621 1.00 0.00 C ATOM 1588 CD2 LEU A 108 8.128 5.366 3.237 1.00 0.00 C ATOM 0 H LEU A 108 10.425 2.058 5.556 1.00 0.00 H new ATOM 0 HA LEU A 108 8.564 1.793 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.635 3.769 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 108 10.088 3.959 2.764 1.00 0.00 H new ATOM 0 HG LEU A 108 7.744 3.560 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.862 5.428 5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.025 4.140 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.587 5.641 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.236 5.877 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.937 6.087 3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.914 4.900 2.275 1.00 0.00 H new ATOM 1600 N PRO A 109 9.966 1.735 1.195 1.00 0.00 N ATOM 1601 CA PRO A 109 10.816 1.682 0.021 1.00 0.00 C ATOM 1602 C PRO A 109 12.041 2.559 0.255 1.00 0.00 C ATOM 1603 O PRO A 109 11.929 3.748 0.569 1.00 0.00 O ATOM 1604 CB PRO A 109 9.990 2.185 -1.169 1.00 0.00 C ATOM 1605 CG PRO A 109 8.547 2.144 -0.681 1.00 0.00 C ATOM 1606 CD PRO A 109 8.651 2.230 0.833 1.00 0.00 C ATOM 0 HA PRO A 109 11.162 0.668 -0.181 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.283 3.195 -1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 109 10.130 1.552 -2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.968 2.974 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.049 1.226 -0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 109 8.519 3.258 1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.871 1.635 1.308 1.00 0.00 H new