USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 36 LYS NZ :NH3+ 157:sc= 2.4 (180deg=0.627) USER MOD Set 1.2: A 62 GLN : amide:sc= 2.92 K(o=5.3,f=-9.8!) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.193 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -130:sc= -2.89! USER MOD Single : A 11 THR OG1 : rot 33:sc= 2.65 USER MOD Single : A 15 TYR OH : rot -166:sc= 1.25 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -47:sc= 0.204 USER MOD Single : A 19 ASN : amide:sc= 0.9 K(o=0.9,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 32 HIS : no HD1:sc= -0.225 X(o=-0.23,f=-0.52) USER MOD Single : A 35 SER OG : rot -128:sc= 0.536 USER MOD Single : A 38 THR OG1 : rot -104:sc= 0.591 USER MOD Single : A 45 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.04) USER MOD Single : A 49 ASN : amide:sc= -3.03! C(o=-3!,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0429 (180deg=-0.288) USER MOD Single : A 58 ASN : amide:sc= -0.486 K(o=-0.49,f=-3.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.495 -2.208 -4.672 1.00 0.00 N ATOM 2 CA GLY A 1 -10.261 -2.211 -3.232 1.00 0.00 C ATOM 3 C GLY A 1 -10.705 -3.512 -2.651 1.00 0.00 C ATOM 4 O GLY A 1 -10.888 -4.485 -3.388 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.629 -1.908 -5.164 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.756 -3.165 -4.983 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.267 -1.548 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.202 -2.052 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.803 -1.389 -2.764 1.00 0.00 H new ATOM 10 N ALA A 2 -10.890 -3.558 -1.357 1.00 0.00 N ATOM 11 CA ALA A 2 -11.337 -4.775 -0.715 1.00 0.00 C ATOM 12 C ALA A 2 -12.597 -4.518 0.067 1.00 0.00 C ATOM 13 O ALA A 2 -13.506 -5.334 0.083 1.00 0.00 O ATOM 14 CB ALA A 2 -10.259 -5.332 0.192 1.00 0.00 C ATOM 0 H ALA A 2 -10.740 -2.771 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.547 -5.514 -1.488 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.617 -6.247 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.367 -5.552 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.016 -4.599 0.961 1.00 0.00 H new ATOM 20 N MET A 3 -12.652 -3.370 0.709 1.00 0.00 N ATOM 21 CA MET A 3 -13.808 -3.014 1.508 1.00 0.00 C ATOM 22 C MET A 3 -14.532 -1.841 0.879 1.00 0.00 C ATOM 23 O MET A 3 -15.534 -1.351 1.392 1.00 0.00 O ATOM 24 CB MET A 3 -13.402 -2.695 2.954 1.00 0.00 C ATOM 25 CG MET A 3 -12.751 -3.857 3.691 1.00 0.00 C ATOM 26 SD MET A 3 -13.845 -5.282 3.830 1.00 0.00 S ATOM 27 CE MET A 3 -12.764 -6.471 4.630 1.00 0.00 C ATOM 0 H MET A 3 -11.912 -2.668 0.694 1.00 0.00 H new ATOM 0 HA MET A 3 -14.485 -3.868 1.536 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.712 -1.851 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.287 -2.379 3.507 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.841 -4.151 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.455 -3.531 4.688 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.302 -7.407 4.783 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.893 -6.652 4.000 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.440 -6.077 5.593 1.00 0.00 H new ATOM 37 N GLY A 4 -14.025 -1.420 -0.239 1.00 0.00 N ATOM 38 CA GLY A 4 -14.578 -0.318 -0.952 1.00 0.00 C ATOM 39 C GLY A 4 -14.193 -0.396 -2.395 1.00 0.00 C ATOM 40 O GLY A 4 -13.324 -1.207 -2.760 1.00 0.00 O ATOM 0 H GLY A 4 -13.208 -1.838 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.664 -0.321 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.222 0.619 -0.523 1.00 0.00 H new ATOM 44 N ALA A 5 -14.836 0.397 -3.216 1.00 0.00 N ATOM 45 CA ALA A 5 -14.552 0.434 -4.640 1.00 0.00 C ATOM 46 C ALA A 5 -13.302 1.236 -4.920 1.00 0.00 C ATOM 47 O ALA A 5 -12.608 1.003 -5.910 1.00 0.00 O ATOM 48 CB ALA A 5 -15.728 1.026 -5.395 1.00 0.00 C ATOM 0 H ALA A 5 -15.573 1.038 -2.921 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.388 -0.589 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.502 1.048 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.615 0.415 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.913 2.041 -5.042 1.00 0.00 H new ATOM 54 N LYS A 6 -13.018 2.173 -4.055 1.00 0.00 N ATOM 55 CA LYS A 6 -11.868 3.019 -4.215 1.00 0.00 C ATOM 56 C LYS A 6 -11.234 3.307 -2.867 1.00 0.00 C ATOM 57 O LYS A 6 -11.667 4.194 -2.124 1.00 0.00 O ATOM 58 CB LYS A 6 -12.222 4.308 -4.991 1.00 0.00 C ATOM 59 CG LYS A 6 -13.339 5.139 -4.381 1.00 0.00 C ATOM 60 CD LYS A 6 -13.688 6.316 -5.253 1.00 0.00 C ATOM 61 CE LYS A 6 -14.752 7.169 -4.607 1.00 0.00 C ATOM 62 NZ LYS A 6 -15.246 8.226 -5.508 1.00 0.00 N ATOM 0 H LYS A 6 -13.575 2.370 -3.224 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.128 2.493 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.328 4.927 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.506 4.036 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.222 4.516 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.035 5.492 -3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.796 6.916 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.038 5.964 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.585 6.537 -4.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.349 7.625 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.975 8.785 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.457 8.847 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.655 7.793 -6.360 1.00 0.00 H new ATOM 76 N GLU A 7 -10.286 2.513 -2.525 1.00 0.00 N ATOM 77 CA GLU A 7 -9.595 2.675 -1.290 1.00 0.00 C ATOM 78 C GLU A 7 -8.198 3.184 -1.569 1.00 0.00 C ATOM 79 O GLU A 7 -7.513 2.685 -2.469 1.00 0.00 O ATOM 80 CB GLU A 7 -9.579 1.366 -0.481 1.00 0.00 C ATOM 81 CG GLU A 7 -10.975 0.867 -0.095 1.00 0.00 C ATOM 82 CD GLU A 7 -10.950 -0.330 0.835 1.00 0.00 C ATOM 83 OE1 GLU A 7 -10.785 -1.474 0.351 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.137 -0.149 2.077 1.00 0.00 O ATOM 0 H GLU A 7 -9.963 1.729 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.119 3.408 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.075 0.595 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.992 1.516 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.523 1.678 0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.522 0.603 -1.000 1.00 0.00 H new ATOM 91 N TYR A 8 -7.786 4.194 -0.852 1.00 0.00 N ATOM 92 CA TYR A 8 -6.475 4.773 -1.063 1.00 0.00 C ATOM 93 C TYR A 8 -5.796 4.939 0.256 1.00 0.00 C ATOM 94 O TYR A 8 -6.419 5.385 1.228 1.00 0.00 O ATOM 95 CB TYR A 8 -6.543 6.153 -1.738 1.00 0.00 C ATOM 96 CG TYR A 8 -7.381 6.224 -2.993 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.907 5.736 -4.201 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.647 6.780 -2.963 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.677 5.805 -5.344 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.421 6.852 -4.096 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.933 6.365 -5.284 1.00 0.00 C ATOM 102 OH TYR A 8 -9.705 6.444 -6.421 1.00 0.00 O ATOM 0 H TYR A 8 -8.335 4.637 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.926 4.097 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.937 6.871 -1.018 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.529 6.469 -1.981 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.922 5.296 -4.248 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.035 7.165 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.297 5.422 -6.280 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.408 7.289 -4.053 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.563 6.865 -6.205 1.00 0.00 H new ATOM 112 N CYS A 9 -4.553 4.608 0.305 1.00 0.00 N ATOM 113 CA CYS A 9 -3.784 4.776 1.491 1.00 0.00 C ATOM 114 C CYS A 9 -2.605 5.690 1.218 1.00 0.00 C ATOM 115 O CYS A 9 -1.925 5.562 0.203 1.00 0.00 O ATOM 116 CB CYS A 9 -3.366 3.418 2.064 1.00 0.00 C ATOM 117 SG CYS A 9 -2.678 2.274 0.850 1.00 0.00 S ATOM 0 H CYS A 9 -4.037 4.211 -0.480 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.394 5.257 2.256 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.628 3.581 2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.233 2.953 2.532 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.271 1.122 0.954 1.00 0.00 H new ATOM 123 N ARG A 10 -2.398 6.633 2.088 1.00 0.00 N ATOM 124 CA ARG A 10 -1.345 7.581 1.927 1.00 0.00 C ATOM 125 C ARG A 10 -0.193 7.150 2.787 1.00 0.00 C ATOM 126 O ARG A 10 -0.376 6.829 3.965 1.00 0.00 O ATOM 127 CB ARG A 10 -1.808 8.976 2.334 1.00 0.00 C ATOM 128 CG ARG A 10 -0.861 10.088 1.917 1.00 0.00 C ATOM 129 CD ARG A 10 -1.358 11.438 2.385 1.00 0.00 C ATOM 130 NE ARG A 10 -0.651 12.540 1.728 1.00 0.00 N ATOM 131 CZ ARG A 10 0.040 13.511 2.340 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.283 13.451 3.644 1.00 0.00 N ATOM 133 NH2 ARG A 10 0.515 14.520 1.626 1.00 0.00 N ATOM 0 H ARG A 10 -2.958 6.764 2.930 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.044 7.622 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.788 9.164 1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.932 9.005 3.417 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.129 9.899 2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.757 10.092 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.426 11.521 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.230 11.517 3.465 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.688 12.571 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.058 12.660 4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.810 14.196 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.354 14.553 0.619 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.042 15.264 2.083 1.00 0.00 H new ATOM 147 N THR A 11 0.955 7.102 2.199 1.00 0.00 N ATOM 148 CA THR A 11 2.168 6.704 2.864 1.00 0.00 C ATOM 149 C THR A 11 2.497 7.683 3.989 1.00 0.00 C ATOM 150 O THR A 11 2.500 8.904 3.764 1.00 0.00 O ATOM 151 CB THR A 11 3.290 6.748 1.837 1.00 0.00 C ATOM 152 OG1 THR A 11 3.283 8.066 1.274 1.00 0.00 O ATOM 153 CG2 THR A 11 3.039 5.747 0.729 1.00 0.00 C ATOM 0 H THR A 11 1.088 7.343 1.217 1.00 0.00 H new ATOM 0 HA THR A 11 2.052 5.706 3.286 1.00 0.00 H new ATOM 0 HB THR A 11 4.243 6.507 2.309 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.000 8.711 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.852 5.794 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.986 4.743 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.097 5.982 0.233 1.00 0.00 H new ATOM 161 N LEU A 12 2.739 7.180 5.168 1.00 0.00 N ATOM 162 CA LEU A 12 3.103 8.043 6.275 1.00 0.00 C ATOM 163 C LEU A 12 4.604 8.056 6.427 1.00 0.00 C ATOM 164 O LEU A 12 5.177 8.983 7.000 1.00 0.00 O ATOM 165 CB LEU A 12 2.479 7.528 7.575 1.00 0.00 C ATOM 166 CG LEU A 12 0.959 7.495 7.637 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.506 6.829 8.928 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.403 8.906 7.552 1.00 0.00 C ATOM 0 H LEU A 12 2.693 6.186 5.394 1.00 0.00 H new ATOM 0 HA LEU A 12 2.736 9.049 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.849 6.518 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.840 8.149 8.395 1.00 0.00 H new ATOM 0 HG LEU A 12 0.582 6.919 6.792 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.583 6.809 8.965 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.889 5.809 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.888 7.391 9.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.686 8.871 7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.782 9.497 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.713 9.363 6.612 1.00 0.00 H new ATOM 180 N PHE A 13 5.222 7.050 5.860 1.00 0.00 N ATOM 181 CA PHE A 13 6.646 6.832 5.911 1.00 0.00 C ATOM 182 C PHE A 13 6.987 6.089 4.648 1.00 0.00 C ATOM 183 O PHE A 13 6.072 5.563 3.999 1.00 0.00 O ATOM 184 CB PHE A 13 7.024 5.940 7.128 1.00 0.00 C ATOM 185 CG PHE A 13 6.625 6.482 8.466 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.384 7.455 9.089 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.475 6.027 9.094 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.007 7.962 10.314 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.092 6.533 10.314 1.00 0.00 C ATOM 190 CZ PHE A 13 5.857 7.501 10.927 1.00 0.00 C ATOM 0 H PHE A 13 4.727 6.333 5.330 1.00 0.00 H new ATOM 0 HA PHE A 13 7.181 7.777 6.006 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.562 4.961 6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.103 5.786 7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.281 7.821 8.611 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.873 5.266 8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.609 8.719 10.794 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.193 6.172 10.791 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.559 7.899 11.885 1.00 0.00 H new ATOM 200 N PRO A 14 8.252 6.046 4.242 1.00 0.00 N ATOM 201 CA PRO A 14 8.653 5.276 3.092 1.00 0.00 C ATOM 202 C PRO A 14 8.908 3.812 3.489 1.00 0.00 C ATOM 203 O PRO A 14 9.002 3.483 4.686 1.00 0.00 O ATOM 204 CB PRO A 14 9.942 5.967 2.658 1.00 0.00 C ATOM 205 CG PRO A 14 10.555 6.450 3.929 1.00 0.00 C ATOM 206 CD PRO A 14 9.411 6.748 4.867 1.00 0.00 C ATOM 0 HA PRO A 14 7.903 5.240 2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.605 5.278 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.739 6.793 1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.218 5.695 4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.157 7.342 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.610 6.377 5.872 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.232 7.820 4.953 1.00 0.00 H new ATOM 214 N TYR A 15 8.995 2.946 2.517 1.00 0.00 N ATOM 215 CA TYR A 15 9.241 1.544 2.767 1.00 0.00 C ATOM 216 C TYR A 15 9.979 0.955 1.596 1.00 0.00 C ATOM 217 O TYR A 15 9.588 1.160 0.436 1.00 0.00 O ATOM 218 CB TYR A 15 7.915 0.804 3.002 1.00 0.00 C ATOM 219 CG TYR A 15 8.020 -0.684 3.294 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.426 -1.140 4.538 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.675 -1.629 2.334 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.485 -2.492 4.817 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.739 -2.982 2.603 1.00 0.00 C ATOM 224 CZ TYR A 15 8.145 -3.409 3.848 1.00 0.00 C ATOM 225 OH TYR A 15 8.176 -4.760 4.144 1.00 0.00 O ATOM 0 H TYR A 15 8.898 3.187 1.531 1.00 0.00 H new ATOM 0 HA TYR A 15 9.851 1.435 3.664 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.399 1.281 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.288 0.937 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.701 -0.427 5.302 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.350 -1.298 1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.798 -2.829 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.472 -3.701 1.842 1.00 0.00 H new ATOM 0 HH TYR A 15 8.130 -5.278 3.313 1.00 0.00 H new ATOM 235 N THR A 16 11.042 0.262 1.881 1.00 0.00 N ATOM 236 CA THR A 16 11.827 -0.351 0.866 1.00 0.00 C ATOM 237 C THR A 16 11.452 -1.817 0.740 1.00 0.00 C ATOM 238 O THR A 16 11.555 -2.584 1.710 1.00 0.00 O ATOM 239 CB THR A 16 13.324 -0.224 1.198 1.00 0.00 C ATOM 240 OG1 THR A 16 13.618 1.149 1.460 1.00 0.00 O ATOM 241 CG2 THR A 16 14.181 -0.693 0.032 1.00 0.00 C ATOM 0 H THR A 16 11.385 0.109 2.829 1.00 0.00 H new ATOM 0 HA THR A 16 11.633 0.154 -0.080 1.00 0.00 H new ATOM 0 HB THR A 16 13.546 -0.844 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.569 1.245 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.235 -0.593 0.292 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.958 -1.737 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.965 -0.085 -0.846 1.00 0.00 H new ATOM 249 N GLY A 17 10.974 -2.186 -0.422 1.00 0.00 N ATOM 250 CA GLY A 17 10.683 -3.548 -0.681 1.00 0.00 C ATOM 251 C GLY A 17 11.954 -4.272 -1.003 1.00 0.00 C ATOM 252 O GLY A 17 12.715 -3.843 -1.877 1.00 0.00 O ATOM 0 H GLY A 17 10.782 -1.550 -1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.203 -4.001 0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.983 -3.631 -1.512 1.00 0.00 H new ATOM 256 N THR A 18 12.202 -5.331 -0.314 1.00 0.00 N ATOM 257 CA THR A 18 13.398 -6.084 -0.512 1.00 0.00 C ATOM 258 C THR A 18 13.042 -7.324 -1.336 1.00 0.00 C ATOM 259 O THR A 18 13.856 -8.236 -1.544 1.00 0.00 O ATOM 260 CB THR A 18 14.083 -6.442 0.856 1.00 0.00 C ATOM 261 OG1 THR A 18 15.377 -7.029 0.645 1.00 0.00 O ATOM 262 CG2 THR A 18 13.230 -7.392 1.689 1.00 0.00 C ATOM 0 H THR A 18 11.582 -5.703 0.405 1.00 0.00 H new ATOM 0 HA THR A 18 14.133 -5.493 -1.058 1.00 0.00 H new ATOM 0 HB THR A 18 14.193 -5.506 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.314 -7.719 -0.049 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.741 -7.613 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.268 -6.926 1.902 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.070 -8.317 1.136 1.00 0.00 H new ATOM 270 N ASN A 19 11.811 -7.324 -1.796 1.00 0.00 N ATOM 271 CA ASN A 19 11.271 -8.337 -2.656 1.00 0.00 C ATOM 272 C ASN A 19 10.679 -7.624 -3.842 1.00 0.00 C ATOM 273 O ASN A 19 10.256 -6.475 -3.712 1.00 0.00 O ATOM 274 CB ASN A 19 10.169 -9.147 -1.951 1.00 0.00 C ATOM 275 CG ASN A 19 10.644 -9.901 -0.726 1.00 0.00 C ATOM 276 OD1 ASN A 19 11.072 -11.050 -0.826 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.578 -9.275 0.425 1.00 0.00 N ATOM 0 H ASN A 19 11.140 -6.590 -1.570 1.00 0.00 H new ATOM 0 HA ASN A 19 12.056 -9.036 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.366 -8.470 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.745 -9.858 -2.660 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.888 -9.741 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.217 -8.322 0.467 1.00 0.00 H new ATOM 284 N GLU A 20 10.633 -8.280 -4.973 1.00 0.00 N ATOM 285 CA GLU A 20 10.143 -7.670 -6.209 1.00 0.00 C ATOM 286 C GLU A 20 8.666 -7.281 -6.124 1.00 0.00 C ATOM 287 O GLU A 20 8.272 -6.212 -6.580 1.00 0.00 O ATOM 288 CB GLU A 20 10.397 -8.585 -7.409 1.00 0.00 C ATOM 289 CG GLU A 20 9.843 -9.987 -7.236 1.00 0.00 C ATOM 290 CD GLU A 20 9.997 -10.827 -8.458 1.00 0.00 C ATOM 291 OE1 GLU A 20 11.110 -11.312 -8.732 1.00 0.00 O ATOM 292 OE2 GLU A 20 8.996 -11.042 -9.156 1.00 0.00 O ATOM 0 H GLU A 20 10.930 -9.250 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 20 10.706 -6.748 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.953 -8.136 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.471 -8.648 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.350 -10.472 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.787 -9.925 -6.975 1.00 0.00 H new ATOM 299 N ASP A 21 7.868 -8.130 -5.516 1.00 0.00 N ATOM 300 CA ASP A 21 6.434 -7.896 -5.399 1.00 0.00 C ATOM 301 C ASP A 21 6.071 -7.310 -4.043 1.00 0.00 C ATOM 302 O ASP A 21 4.904 -7.250 -3.655 1.00 0.00 O ATOM 303 CB ASP A 21 5.637 -9.171 -5.702 1.00 0.00 C ATOM 304 CG ASP A 21 6.000 -10.336 -4.822 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.111 -10.893 -4.987 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.175 -10.756 -3.992 1.00 0.00 O ATOM 0 H ASP A 21 8.186 -9.000 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 21 6.158 -7.155 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.574 -8.959 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.798 -9.450 -6.743 1.00 0.00 H new ATOM 311 N GLU A 22 7.069 -6.849 -3.348 1.00 0.00 N ATOM 312 CA GLU A 22 6.878 -6.128 -2.128 1.00 0.00 C ATOM 313 C GLU A 22 6.960 -4.665 -2.513 1.00 0.00 C ATOM 314 O GLU A 22 7.905 -4.255 -3.204 1.00 0.00 O ATOM 315 CB GLU A 22 7.940 -6.529 -1.117 1.00 0.00 C ATOM 316 CG GLU A 22 7.905 -5.793 0.201 1.00 0.00 C ATOM 317 CD GLU A 22 8.939 -6.333 1.150 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.091 -6.517 0.739 1.00 0.00 O ATOM 319 OE2 GLU A 22 8.607 -6.631 2.305 1.00 0.00 O ATOM 0 H GLU A 22 8.046 -6.965 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 22 5.922 -6.341 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.841 -7.596 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.920 -6.379 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.081 -4.731 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.914 -5.885 0.646 1.00 0.00 H new ATOM 326 N LEU A 23 5.984 -3.894 -2.108 1.00 0.00 N ATOM 327 CA LEU A 23 5.830 -2.544 -2.617 1.00 0.00 C ATOM 328 C LEU A 23 6.865 -1.590 -2.020 1.00 0.00 C ATOM 329 O LEU A 23 6.930 -1.396 -0.809 1.00 0.00 O ATOM 330 CB LEU A 23 4.406 -2.026 -2.341 1.00 0.00 C ATOM 331 CG LEU A 23 3.730 -1.179 -3.453 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.402 -0.643 -2.967 1.00 0.00 C ATOM 333 CD2 LEU A 23 4.612 -0.037 -3.934 1.00 0.00 C ATOM 0 H LEU A 23 5.279 -4.173 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 23 5.996 -2.579 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.768 -2.886 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.435 -1.427 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 23 3.568 -1.840 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.938 -0.051 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.748 -1.475 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.562 -0.017 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.091 0.523 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.837 0.626 -3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.541 -0.440 -4.338 1.00 0.00 H new ATOM 345 N THR A 24 7.666 -1.013 -2.881 1.00 0.00 N ATOM 346 CA THR A 24 8.604 -0.011 -2.485 1.00 0.00 C ATOM 347 C THR A 24 7.953 1.342 -2.715 1.00 0.00 C ATOM 348 O THR A 24 7.590 1.682 -3.858 1.00 0.00 O ATOM 349 CB THR A 24 9.884 -0.112 -3.343 1.00 0.00 C ATOM 350 OG1 THR A 24 10.434 -1.432 -3.220 1.00 0.00 O ATOM 351 CG2 THR A 24 10.930 0.918 -2.919 1.00 0.00 C ATOM 0 H THR A 24 7.680 -1.231 -3.877 1.00 0.00 H new ATOM 0 HA THR A 24 8.877 -0.143 -1.438 1.00 0.00 H new ATOM 0 HB THR A 24 9.615 0.091 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.246 -1.500 -3.765 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.816 0.816 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.519 1.921 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.202 0.753 -1.876 1.00 0.00 H new ATOM 359 N PHE A 25 7.805 2.099 -1.666 1.00 0.00 N ATOM 360 CA PHE A 25 7.171 3.379 -1.758 1.00 0.00 C ATOM 361 C PHE A 25 7.935 4.456 -1.039 1.00 0.00 C ATOM 362 O PHE A 25 8.807 4.167 -0.189 1.00 0.00 O ATOM 363 CB PHE A 25 5.693 3.334 -1.342 1.00 0.00 C ATOM 364 CG PHE A 25 5.379 2.740 0.003 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.526 3.474 1.166 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.878 1.457 0.088 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.180 2.934 2.386 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.539 0.911 1.299 1.00 0.00 C ATOM 369 CZ PHE A 25 4.685 1.650 2.453 1.00 0.00 C ATOM 0 H PHE A 25 8.119 1.847 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 25 7.185 3.648 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.305 4.352 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.146 2.770 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.916 4.480 1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.751 0.875 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.297 3.516 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.158 -0.098 1.349 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.412 1.224 3.407 1.00 0.00 H new ATOM 379 N ARG A 26 7.627 5.677 -1.389 1.00 0.00 N ATOM 380 CA ARG A 26 8.239 6.852 -0.819 1.00 0.00 C ATOM 381 C ARG A 26 7.278 7.446 0.190 1.00 0.00 C ATOM 382 O ARG A 26 6.144 6.991 0.307 1.00 0.00 O ATOM 383 CB ARG A 26 8.476 7.865 -1.927 1.00 0.00 C ATOM 384 CG ARG A 26 9.265 7.319 -3.091 1.00 0.00 C ATOM 385 CD ARG A 26 9.208 8.264 -4.262 1.00 0.00 C ATOM 386 NE ARG A 26 9.807 7.680 -5.462 1.00 0.00 N ATOM 387 CZ ARG A 26 9.113 7.301 -6.540 1.00 0.00 C ATOM 388 NH1 ARG A 26 7.786 7.181 -6.477 1.00 0.00 N ATOM 389 NH2 ARG A 26 9.751 6.943 -7.641 1.00 0.00 N ATOM 0 H ARG A 26 6.925 5.889 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 26 9.184 6.597 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.513 8.225 -2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.003 8.725 -1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.302 7.163 -2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.868 6.347 -3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.170 8.528 -4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.728 9.188 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 26 10.819 7.554 -5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.297 7.379 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.260 6.892 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.771 6.956 -7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.224 6.653 -8.465 1.00 0.00 H new ATOM 403 N GLU A 27 7.717 8.441 0.900 1.00 0.00 N ATOM 404 CA GLU A 27 6.889 9.110 1.857 1.00 0.00 C ATOM 405 C GLU A 27 6.211 10.299 1.184 1.00 0.00 C ATOM 406 O GLU A 27 6.871 11.279 0.815 1.00 0.00 O ATOM 407 CB GLU A 27 7.741 9.586 3.020 1.00 0.00 C ATOM 408 CG GLU A 27 6.962 10.128 4.200 1.00 0.00 C ATOM 409 CD GLU A 27 7.868 10.644 5.286 1.00 0.00 C ATOM 410 OE1 GLU A 27 8.986 10.105 5.453 1.00 0.00 O ATOM 411 OE2 GLU A 27 7.491 11.615 5.964 1.00 0.00 O ATOM 0 H GLU A 27 8.664 8.813 0.831 1.00 0.00 H new ATOM 0 HA GLU A 27 6.129 8.426 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.360 8.756 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.418 10.362 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.306 10.931 3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.323 9.343 4.604 1.00 0.00 H new ATOM 418 N GLY A 28 4.927 10.193 0.984 1.00 0.00 N ATOM 419 CA GLY A 28 4.177 11.272 0.394 1.00 0.00 C ATOM 420 C GLY A 28 3.478 10.873 -0.890 1.00 0.00 C ATOM 421 O GLY A 28 3.247 11.714 -1.765 1.00 0.00 O ATOM 0 H GLY A 28 4.375 9.369 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.436 11.626 1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.849 12.106 0.192 1.00 0.00 H new ATOM 425 N GLU A 29 3.145 9.607 -1.021 1.00 0.00 N ATOM 426 CA GLU A 29 2.455 9.132 -2.195 1.00 0.00 C ATOM 427 C GLU A 29 1.108 8.530 -1.833 1.00 0.00 C ATOM 428 O GLU A 29 0.865 8.147 -0.667 1.00 0.00 O ATOM 429 CB GLU A 29 3.291 8.118 -2.989 1.00 0.00 C ATOM 430 CG GLU A 29 4.577 8.680 -3.576 1.00 0.00 C ATOM 431 CD GLU A 29 5.231 7.732 -4.554 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.858 7.748 -5.748 1.00 0.00 O ATOM 433 OE2 GLU A 29 6.142 6.985 -4.179 1.00 0.00 O ATOM 0 H GLU A 29 3.343 8.888 -0.325 1.00 0.00 H new ATOM 0 HA GLU A 29 2.292 10.000 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.540 7.282 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.681 7.719 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.361 9.623 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.275 8.901 -2.768 1.00 0.00 H new ATOM 440 N ILE A 30 0.238 8.473 -2.810 1.00 0.00 N ATOM 441 CA ILE A 30 -1.072 7.888 -2.662 1.00 0.00 C ATOM 442 C ILE A 30 -1.054 6.504 -3.269 1.00 0.00 C ATOM 443 O ILE A 30 -0.831 6.342 -4.473 1.00 0.00 O ATOM 444 CB ILE A 30 -2.170 8.741 -3.371 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.273 10.140 -2.745 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.533 8.033 -3.339 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.729 10.153 -1.297 1.00 0.00 C ATOM 0 H ILE A 30 0.422 8.837 -3.745 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.312 7.848 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.874 8.855 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.299 10.625 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.967 10.738 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.277 8.652 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.456 7.073 -3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.834 7.871 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.773 11.181 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.718 9.701 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.024 9.586 -0.689 1.00 0.00 H new ATOM 459 N ILE A 31 -1.275 5.526 -2.464 1.00 0.00 N ATOM 460 CA ILE A 31 -1.285 4.169 -2.919 1.00 0.00 C ATOM 461 C ILE A 31 -2.713 3.804 -3.222 1.00 0.00 C ATOM 462 O ILE A 31 -3.616 4.113 -2.430 1.00 0.00 O ATOM 463 CB ILE A 31 -0.734 3.186 -1.839 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.685 3.570 -1.420 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.757 1.744 -2.354 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.256 2.705 -0.309 1.00 0.00 C ATOM 0 H ILE A 31 -1.455 5.638 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.645 4.087 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.383 3.256 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.339 3.506 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.688 4.610 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.369 1.077 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.781 1.461 -2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.138 1.667 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.265 3.040 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.626 2.787 0.577 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.288 1.666 -0.637 1.00 0.00 H new ATOM 478 N HIS A 32 -2.937 3.179 -4.341 1.00 0.00 N ATOM 479 CA HIS A 32 -4.254 2.738 -4.652 1.00 0.00 C ATOM 480 C HIS A 32 -4.360 1.357 -4.072 1.00 0.00 C ATOM 481 O HIS A 32 -3.687 0.427 -4.532 1.00 0.00 O ATOM 482 CB HIS A 32 -4.492 2.716 -6.173 1.00 0.00 C ATOM 483 CG HIS A 32 -5.929 2.468 -6.584 1.00 0.00 C ATOM 484 ND1 HIS A 32 -6.651 3.320 -7.387 1.00 0.00 N ATOM 485 CD2 HIS A 32 -6.756 1.433 -6.313 1.00 0.00 C ATOM 486 CE1 HIS A 32 -7.862 2.792 -7.573 1.00 0.00 C ATOM 487 NE2 HIS A 32 -7.976 1.645 -6.940 1.00 0.00 N ATOM 0 H HIS A 32 -2.229 2.967 -5.044 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.007 3.409 -4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.168 3.669 -6.592 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.863 1.943 -6.615 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.506 0.576 -5.705 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.644 3.246 -8.164 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.794 1.036 -6.915 1.00 0.00 H new ATOM 495 N LEU A 33 -5.138 1.246 -3.036 1.00 0.00 N ATOM 496 CA LEU A 33 -5.288 0.019 -2.321 1.00 0.00 C ATOM 497 C LEU A 33 -6.055 -0.951 -3.187 1.00 0.00 C ATOM 498 O LEU A 33 -7.197 -0.702 -3.577 1.00 0.00 O ATOM 499 CB LEU A 33 -5.979 0.293 -0.963 1.00 0.00 C ATOM 500 CG LEU A 33 -6.110 -0.862 0.053 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.489 -0.286 1.395 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.180 -1.865 -0.362 1.00 0.00 C ATOM 0 H LEU A 33 -5.692 2.016 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.320 -0.430 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.436 1.102 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.983 0.663 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.153 -1.382 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.585 -1.092 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.717 0.410 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.439 0.241 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.240 -2.661 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.144 -1.361 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.923 -2.291 -1.332 1.00 0.00 H new ATOM 514 N ILE A 34 -5.417 -2.026 -3.506 1.00 0.00 N ATOM 515 CA ILE A 34 -5.999 -3.020 -4.346 1.00 0.00 C ATOM 516 C ILE A 34 -6.670 -4.072 -3.485 1.00 0.00 C ATOM 517 O ILE A 34 -7.778 -4.507 -3.780 1.00 0.00 O ATOM 518 CB ILE A 34 -4.932 -3.680 -5.263 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.207 -2.625 -6.120 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.556 -4.744 -6.150 1.00 0.00 C ATOM 521 CD1 ILE A 34 -5.112 -1.830 -7.048 1.00 0.00 C ATOM 0 H ILE A 34 -4.472 -2.242 -3.190 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.738 -2.542 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.197 -4.160 -4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.689 -1.931 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.444 -3.124 -6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.786 -5.189 -6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.007 -5.517 -5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.323 -4.290 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.515 -1.112 -7.611 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.611 -2.509 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.860 -1.298 -6.459 1.00 0.00 H new ATOM 533 N SER A 35 -6.024 -4.451 -2.401 1.00 0.00 N ATOM 534 CA SER A 35 -6.583 -5.449 -1.542 1.00 0.00 C ATOM 535 C SER A 35 -6.068 -5.309 -0.116 1.00 0.00 C ATOM 536 O SER A 35 -4.934 -4.890 0.112 1.00 0.00 O ATOM 537 CB SER A 35 -6.272 -6.852 -2.075 1.00 0.00 C ATOM 538 OG SER A 35 -6.928 -7.841 -1.307 1.00 0.00 O ATOM 0 H SER A 35 -5.121 -4.081 -2.104 1.00 0.00 H new ATOM 0 HA SER A 35 -7.663 -5.303 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.585 -6.927 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.196 -7.023 -2.053 1.00 0.00 H new ATOM 0 HG SER A 35 -6.280 -8.520 -1.025 1.00 0.00 H new ATOM 544 N LYS A 36 -6.927 -5.632 0.821 1.00 0.00 N ATOM 545 CA LYS A 36 -6.600 -5.683 2.234 1.00 0.00 C ATOM 546 C LYS A 36 -6.434 -7.137 2.651 1.00 0.00 C ATOM 547 O LYS A 36 -6.073 -7.434 3.788 1.00 0.00 O ATOM 548 CB LYS A 36 -7.713 -5.025 3.078 1.00 0.00 C ATOM 549 CG LYS A 36 -7.693 -3.502 3.096 1.00 0.00 C ATOM 550 CD LYS A 36 -8.928 -2.923 3.773 1.00 0.00 C ATOM 551 CE LYS A 36 -8.788 -1.419 3.960 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.023 -0.773 4.460 1.00 0.00 N ATOM 0 H LYS A 36 -7.898 -5.873 0.622 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.673 -5.136 2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.680 -5.356 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.632 -5.386 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.799 -3.157 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.631 -3.128 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.812 -3.138 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.076 -3.402 4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.975 -1.221 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.509 -0.966 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.781 0.124 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.664 -0.586 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.493 -1.403 5.142 1.00 0.00 H new ATOM 566 N GLU A 37 -6.683 -8.038 1.709 1.00 0.00 N ATOM 567 CA GLU A 37 -6.636 -9.454 1.965 1.00 0.00 C ATOM 568 C GLU A 37 -5.532 -10.124 1.187 1.00 0.00 C ATOM 569 O GLU A 37 -5.635 -10.344 -0.018 1.00 0.00 O ATOM 570 CB GLU A 37 -7.969 -10.109 1.657 1.00 0.00 C ATOM 571 CG GLU A 37 -9.063 -9.757 2.636 1.00 0.00 C ATOM 572 CD GLU A 37 -8.748 -10.227 4.035 1.00 0.00 C ATOM 573 OE1 GLU A 37 -8.880 -11.452 4.313 1.00 0.00 O ATOM 574 OE2 GLU A 37 -8.356 -9.410 4.875 1.00 0.00 O ATOM 0 H GLU A 37 -6.923 -7.797 0.747 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.424 -9.581 3.027 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.284 -9.817 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.838 -11.191 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.210 -8.677 2.642 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.001 -10.204 2.307 1.00 0.00 H new ATOM 581 N THR A 38 -4.483 -10.421 1.872 1.00 0.00 N ATOM 582 CA THR A 38 -3.339 -11.091 1.295 1.00 0.00 C ATOM 583 C THR A 38 -3.135 -12.428 1.996 1.00 0.00 C ATOM 584 O THR A 38 -2.098 -13.099 1.851 1.00 0.00 O ATOM 585 CB THR A 38 -2.105 -10.229 1.504 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.072 -9.837 2.881 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.128 -8.995 0.607 1.00 0.00 C ATOM 0 H THR A 38 -4.381 -10.208 2.864 1.00 0.00 H new ATOM 0 HA THR A 38 -3.504 -11.254 0.230 1.00 0.00 H new ATOM 0 HB THR A 38 -1.214 -10.800 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.360 -8.904 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.231 -8.401 0.782 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.160 -9.305 -0.438 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.010 -8.396 0.835 1.00 0.00 H new ATOM 595 N GLY A 39 -4.119 -12.783 2.800 1.00 0.00 N ATOM 596 CA GLY A 39 -4.070 -14.006 3.549 1.00 0.00 C ATOM 597 C GLY A 39 -3.570 -13.763 4.950 1.00 0.00 C ATOM 598 O GLY A 39 -3.826 -14.551 5.866 1.00 0.00 O ATOM 0 H GLY A 39 -4.964 -12.231 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.063 -14.454 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.418 -14.719 3.045 1.00 0.00 H new ATOM 602 N GLU A 40 -2.879 -12.662 5.121 1.00 0.00 N ATOM 603 CA GLU A 40 -2.304 -12.302 6.384 1.00 0.00 C ATOM 604 C GLU A 40 -2.755 -10.913 6.774 1.00 0.00 C ATOM 605 O GLU A 40 -2.888 -10.022 5.915 1.00 0.00 O ATOM 606 CB GLU A 40 -0.784 -12.347 6.297 1.00 0.00 C ATOM 607 CG GLU A 40 -0.224 -13.712 5.939 1.00 0.00 C ATOM 608 CD GLU A 40 1.267 -13.705 5.839 1.00 0.00 C ATOM 609 OE1 GLU A 40 1.944 -13.793 6.889 1.00 0.00 O ATOM 610 OE2 GLU A 40 1.799 -13.618 4.711 1.00 0.00 O ATOM 0 H GLU A 40 -2.701 -11.988 4.377 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.636 -13.012 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.452 -11.623 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.367 -12.034 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.532 -14.437 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.648 -14.039 4.989 1.00 0.00 H new ATOM 617 N ALA A 41 -2.999 -10.732 8.041 1.00 0.00 N ATOM 618 CA ALA A 41 -3.413 -9.462 8.568 1.00 0.00 C ATOM 619 C ALA A 41 -2.207 -8.564 8.717 1.00 0.00 C ATOM 620 O ALA A 41 -1.196 -8.954 9.321 1.00 0.00 O ATOM 621 CB ALA A 41 -4.122 -9.639 9.899 1.00 0.00 C ATOM 0 H ALA A 41 -2.916 -11.467 8.743 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.117 -9.000 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.427 -8.665 10.281 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.002 -10.267 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.446 -10.112 10.611 1.00 0.00 H new ATOM 627 N GLY A 42 -2.283 -7.402 8.137 1.00 0.00 N ATOM 628 CA GLY A 42 -1.189 -6.476 8.209 1.00 0.00 C ATOM 629 C GLY A 42 -0.576 -6.238 6.867 1.00 0.00 C ATOM 630 O GLY A 42 0.087 -5.234 6.649 1.00 0.00 O ATOM 0 H GLY A 42 -3.091 -7.072 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.540 -5.530 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.431 -6.860 8.892 1.00 0.00 H new ATOM 634 N TRP A 43 -0.792 -7.157 5.965 1.00 0.00 N ATOM 635 CA TRP A 43 -0.269 -7.026 4.639 1.00 0.00 C ATOM 636 C TRP A 43 -1.340 -6.571 3.698 1.00 0.00 C ATOM 637 O TRP A 43 -2.355 -7.259 3.502 1.00 0.00 O ATOM 638 CB TRP A 43 0.350 -8.324 4.136 1.00 0.00 C ATOM 639 CG TRP A 43 1.591 -8.719 4.848 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.706 -9.598 5.874 1.00 0.00 C ATOM 641 CD2 TRP A 43 2.903 -8.236 4.577 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.018 -9.705 6.251 1.00 0.00 N ATOM 643 CE2 TRP A 43 3.773 -8.869 5.475 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.423 -7.325 3.658 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.140 -8.620 5.481 1.00 0.00 C ATOM 646 CZ3 TRP A 43 4.773 -7.079 3.663 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.617 -7.721 4.568 1.00 0.00 C ATOM 0 H TRP A 43 -1.330 -8.008 6.129 1.00 0.00 H new ATOM 0 HA TRP A 43 0.522 -6.277 4.677 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.383 -9.125 4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.570 -8.221 3.074 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.885 -10.134 6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.375 -10.310 6.991 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.775 -6.822 2.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.799 -9.116 6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.188 -6.377 2.955 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.674 -7.503 4.547 1.00 0.00 H new ATOM 658 N TRP A 44 -1.143 -5.425 3.152 1.00 0.00 N ATOM 659 CA TRP A 44 -2.037 -4.882 2.184 1.00 0.00 C ATOM 660 C TRP A 44 -1.392 -4.906 0.838 1.00 0.00 C ATOM 661 O TRP A 44 -0.170 -4.928 0.732 1.00 0.00 O ATOM 662 CB TRP A 44 -2.444 -3.453 2.538 1.00 0.00 C ATOM 663 CG TRP A 44 -3.430 -3.340 3.656 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.960 -4.353 4.403 1.00 0.00 C ATOM 665 CD2 TRP A 44 -4.023 -2.138 4.134 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.852 -3.851 5.307 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.906 -2.492 5.165 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.888 -0.790 3.790 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.657 -1.553 5.847 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.638 0.143 4.474 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.511 -0.243 5.490 1.00 0.00 C ATOM 0 H TRP A 44 -0.345 -4.826 3.366 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.939 -5.494 2.173 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.549 -2.891 2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.866 -2.980 1.651 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.710 -5.398 4.295 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.390 -4.400 5.978 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.211 -0.486 3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.336 -1.845 6.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.548 1.189 4.219 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.085 0.512 6.007 1.00 0.00 H new ATOM 682 N LYS A 45 -2.198 -4.920 -0.170 1.00 0.00 N ATOM 683 CA LYS A 45 -1.745 -4.892 -1.523 1.00 0.00 C ATOM 684 C LYS A 45 -2.191 -3.584 -2.129 1.00 0.00 C ATOM 685 O LYS A 45 -3.376 -3.215 -2.044 1.00 0.00 O ATOM 686 CB LYS A 45 -2.351 -6.062 -2.317 1.00 0.00 C ATOM 687 CG LYS A 45 -2.150 -5.966 -3.832 1.00 0.00 C ATOM 688 CD LYS A 45 -3.027 -6.967 -4.580 1.00 0.00 C ATOM 689 CE LYS A 45 -2.450 -8.368 -4.599 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.262 -8.440 -5.463 1.00 0.00 N ATOM 0 H LYS A 45 -3.213 -4.952 -0.076 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.660 -4.985 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.910 -6.994 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.419 -6.114 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.383 -4.955 -4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.103 -6.148 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.013 -6.993 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.165 -6.624 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.185 -8.669 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.204 -9.070 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.194 -9.390 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.340 -7.732 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.410 -8.249 -4.898 1.00 0.00 H new ATOM 704 N GLY A 46 -1.289 -2.908 -2.730 1.00 0.00 N ATOM 705 CA GLY A 46 -1.598 -1.666 -3.330 1.00 0.00 C ATOM 706 C GLY A 46 -0.807 -1.490 -4.567 1.00 0.00 C ATOM 707 O GLY A 46 0.213 -2.155 -4.741 1.00 0.00 O ATOM 0 H GLY A 46 -0.315 -3.198 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.662 -1.619 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.386 -0.854 -2.634 1.00 0.00 H new ATOM 711 N GLU A 47 -1.260 -0.643 -5.425 1.00 0.00 N ATOM 712 CA GLU A 47 -0.558 -0.364 -6.630 1.00 0.00 C ATOM 713 C GLU A 47 -0.062 1.047 -6.565 1.00 0.00 C ATOM 714 O GLU A 47 -0.842 1.997 -6.324 1.00 0.00 O ATOM 715 CB GLU A 47 -1.454 -0.645 -7.862 1.00 0.00 C ATOM 716 CG GLU A 47 -0.772 -0.539 -9.242 1.00 0.00 C ATOM 717 CD GLU A 47 -0.615 0.881 -9.752 1.00 0.00 C ATOM 718 OE1 GLU A 47 -1.597 1.433 -10.289 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.477 1.476 -9.638 1.00 0.00 O ATOM 0 H GLU A 47 -2.130 -0.123 -5.311 1.00 0.00 H new ATOM 0 HA GLU A 47 0.304 -1.022 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.869 -1.648 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.293 0.051 -7.841 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.213 -1.003 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.352 -1.111 -9.966 1.00 0.00 H new ATOM 726 N LEU A 48 1.217 1.184 -6.718 1.00 0.00 N ATOM 727 CA LEU A 48 1.854 2.448 -6.701 1.00 0.00 C ATOM 728 C LEU A 48 3.039 2.414 -7.643 1.00 0.00 C ATOM 729 O LEU A 48 3.832 1.468 -7.624 1.00 0.00 O ATOM 730 CB LEU A 48 2.307 2.826 -5.289 1.00 0.00 C ATOM 731 CG LEU A 48 2.949 4.200 -5.163 1.00 0.00 C ATOM 732 CD1 LEU A 48 1.957 5.298 -5.433 1.00 0.00 C ATOM 733 CD2 LEU A 48 3.608 4.382 -3.825 1.00 0.00 C ATOM 0 H LEU A 48 1.854 0.400 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 48 1.142 3.205 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.445 2.783 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.017 2.077 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 48 3.727 4.263 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.449 6.265 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.564 5.192 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.138 5.233 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.055 5.375 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.864 4.277 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.384 3.627 -3.696 1.00 0.00 H new ATOM 745 N ASN A 49 3.109 3.415 -8.500 1.00 0.00 N ATOM 746 CA ASN A 49 4.191 3.608 -9.474 1.00 0.00 C ATOM 747 C ASN A 49 4.229 2.518 -10.541 1.00 0.00 C ATOM 748 O ASN A 49 5.243 2.329 -11.214 1.00 0.00 O ATOM 749 CB ASN A 49 5.580 3.819 -8.810 1.00 0.00 C ATOM 750 CG ASN A 49 5.667 5.119 -8.007 1.00 0.00 C ATOM 751 OD1 ASN A 49 5.935 6.195 -8.560 1.00 0.00 O ATOM 752 ND2 ASN A 49 5.533 5.033 -6.711 1.00 0.00 N ATOM 0 H ASN A 49 2.397 4.144 -8.547 1.00 0.00 H new ATOM 0 HA ASN A 49 3.952 4.539 -9.987 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.794 2.977 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.349 3.823 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.649 5.863 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.312 4.136 -6.280 1.00 0.00 H new ATOM 759 N GLY A 50 3.128 1.805 -10.694 1.00 0.00 N ATOM 760 CA GLY A 50 3.004 0.862 -11.769 1.00 0.00 C ATOM 761 C GLY A 50 2.936 -0.556 -11.298 1.00 0.00 C ATOM 762 O GLY A 50 2.471 -1.441 -12.028 1.00 0.00 O ATOM 0 H GLY A 50 2.313 1.867 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.107 1.091 -12.344 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.853 0.975 -12.443 1.00 0.00 H new ATOM 766 N LYS A 51 3.365 -0.795 -10.086 1.00 0.00 N ATOM 767 CA LYS A 51 3.430 -2.142 -9.588 1.00 0.00 C ATOM 768 C LYS A 51 2.513 -2.313 -8.409 1.00 0.00 C ATOM 769 O LYS A 51 2.344 -1.384 -7.605 1.00 0.00 O ATOM 770 CB LYS A 51 4.861 -2.537 -9.167 1.00 0.00 C ATOM 771 CG LYS A 51 5.952 -2.365 -10.238 1.00 0.00 C ATOM 772 CD LYS A 51 6.507 -0.933 -10.287 1.00 0.00 C ATOM 773 CE LYS A 51 7.319 -0.587 -9.026 1.00 0.00 C ATOM 774 NZ LYS A 51 8.465 -1.514 -8.813 1.00 0.00 N ATOM 0 H LYS A 51 3.673 -0.078 -9.429 1.00 0.00 H new ATOM 0 HA LYS A 51 3.117 -2.793 -10.404 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.139 -1.944 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.851 -3.580 -8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.767 -3.060 -10.037 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.543 -2.626 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.139 -0.819 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.683 -0.228 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.692 0.434 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.664 -0.619 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.120 -1.103 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.112 -2.426 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.964 -1.661 -9.713 1.00 0.00 H new ATOM 788 N GLU A 52 1.918 -3.476 -8.308 1.00 0.00 N ATOM 789 CA GLU A 52 1.107 -3.797 -7.180 1.00 0.00 C ATOM 790 C GLU A 52 1.900 -4.690 -6.258 1.00 0.00 C ATOM 791 O GLU A 52 2.317 -5.801 -6.626 1.00 0.00 O ATOM 792 CB GLU A 52 -0.257 -4.416 -7.560 1.00 0.00 C ATOM 793 CG GLU A 52 -0.205 -5.707 -8.359 1.00 0.00 C ATOM 794 CD GLU A 52 -1.568 -6.315 -8.528 1.00 0.00 C ATOM 795 OE1 GLU A 52 -2.282 -5.947 -9.479 1.00 0.00 O ATOM 796 OE2 GLU A 52 -1.966 -7.157 -7.696 1.00 0.00 O ATOM 0 H GLU A 52 1.987 -4.217 -9.006 1.00 0.00 H new ATOM 0 HA GLU A 52 0.851 -2.871 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.817 -4.602 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.820 -3.680 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.229 -5.510 -9.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.451 -6.419 -7.857 1.00 0.00 H new ATOM 803 N GLY A 53 2.152 -4.208 -5.109 1.00 0.00 N ATOM 804 CA GLY A 53 2.928 -4.944 -4.192 1.00 0.00 C ATOM 805 C GLY A 53 2.220 -5.105 -2.907 1.00 0.00 C ATOM 806 O GLY A 53 1.087 -4.627 -2.748 1.00 0.00 O ATOM 0 H GLY A 53 1.831 -3.299 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.158 -5.924 -4.610 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.879 -4.437 -4.026 1.00 0.00 H new ATOM 810 N VAL A 54 2.870 -5.730 -1.989 1.00 0.00 N ATOM 811 CA VAL A 54 2.336 -5.922 -0.678 1.00 0.00 C ATOM 812 C VAL A 54 3.187 -5.149 0.284 1.00 0.00 C ATOM 813 O VAL A 54 4.395 -4.959 0.043 1.00 0.00 O ATOM 814 CB VAL A 54 2.268 -7.427 -0.265 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.306 -8.187 -1.166 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.649 -8.079 -0.300 1.00 0.00 C ATOM 0 H VAL A 54 3.799 -6.129 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 54 1.307 -5.563 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 54 1.900 -7.470 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.273 -9.233 -0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.310 -7.753 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.646 -8.120 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.565 -9.126 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.056 -8.016 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.313 -7.561 0.392 1.00 0.00 H new ATOM 826 N PHE A 55 2.572 -4.644 1.308 1.00 0.00 N ATOM 827 CA PHE A 55 3.243 -3.811 2.253 1.00 0.00 C ATOM 828 C PHE A 55 2.536 -3.885 3.600 1.00 0.00 C ATOM 829 O PHE A 55 1.341 -4.211 3.650 1.00 0.00 O ATOM 830 CB PHE A 55 3.260 -2.358 1.729 1.00 0.00 C ATOM 831 CG PHE A 55 1.893 -1.713 1.563 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.168 -1.883 0.393 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.345 -0.936 2.573 1.00 0.00 C ATOM 834 CE1 PHE A 55 -0.070 -1.299 0.237 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.105 -0.349 2.421 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.602 -0.531 1.250 1.00 0.00 C ATOM 0 H PHE A 55 1.585 -4.800 1.512 1.00 0.00 H new ATOM 0 HA PHE A 55 4.269 -4.154 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.851 -1.749 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.771 -2.342 0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.579 -2.481 -0.407 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.896 -0.788 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.624 -1.443 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.311 0.251 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.572 -0.072 1.127 1.00 0.00 H new ATOM 846 N PRO A 56 3.256 -3.639 4.702 1.00 0.00 N ATOM 847 CA PRO A 56 2.655 -3.569 6.022 1.00 0.00 C ATOM 848 C PRO A 56 1.813 -2.299 6.156 1.00 0.00 C ATOM 849 O PRO A 56 2.280 -1.183 5.864 1.00 0.00 O ATOM 850 CB PRO A 56 3.857 -3.536 6.980 1.00 0.00 C ATOM 851 CG PRO A 56 5.025 -3.928 6.144 1.00 0.00 C ATOM 852 CD PRO A 56 4.707 -3.445 4.768 1.00 0.00 C ATOM 0 HA PRO A 56 1.985 -4.404 6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.993 -2.543 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.718 -4.226 7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.944 -3.476 6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.173 -5.008 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.985 -2.400 4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.230 -4.019 4.003 1.00 0.00 H new ATOM 860 N ASP A 57 0.595 -2.478 6.598 1.00 0.00 N ATOM 861 CA ASP A 57 -0.410 -1.415 6.704 1.00 0.00 C ATOM 862 C ASP A 57 -0.002 -0.288 7.660 1.00 0.00 C ATOM 863 O ASP A 57 -0.489 0.828 7.534 1.00 0.00 O ATOM 864 CB ASP A 57 -1.763 -1.991 7.150 1.00 0.00 C ATOM 865 CG ASP A 57 -1.795 -2.430 8.606 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.162 -3.434 8.968 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.497 -1.800 9.413 1.00 0.00 O ATOM 0 H ASP A 57 0.251 -3.387 6.906 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.494 -0.983 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.537 -1.241 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.010 -2.844 6.518 1.00 0.00 H new ATOM 872 N ASN A 58 0.924 -0.559 8.568 1.00 0.00 N ATOM 873 CA ASN A 58 1.325 0.435 9.581 1.00 0.00 C ATOM 874 C ASN A 58 2.191 1.566 9.004 1.00 0.00 C ATOM 875 O ASN A 58 2.621 2.476 9.739 1.00 0.00 O ATOM 876 CB ASN A 58 2.039 -0.208 10.792 1.00 0.00 C ATOM 877 CG ASN A 58 3.390 -0.831 10.467 1.00 0.00 C ATOM 878 OD1 ASN A 58 3.617 -1.342 9.375 1.00 0.00 O ATOM 879 ND2 ASN A 58 4.297 -0.790 11.410 1.00 0.00 N ATOM 0 H ASN A 58 1.416 -1.450 8.633 1.00 0.00 H new ATOM 0 HA ASN A 58 0.390 0.875 9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.178 0.551 11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.391 -0.975 11.215 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.221 -1.190 11.246 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.080 -0.358 12.308 1.00 0.00 H new ATOM 886 N PHE A 59 2.448 1.524 7.718 1.00 0.00 N ATOM 887 CA PHE A 59 3.209 2.574 7.073 1.00 0.00 C ATOM 888 C PHE A 59 2.309 3.495 6.252 1.00 0.00 C ATOM 889 O PHE A 59 2.781 4.476 5.663 1.00 0.00 O ATOM 890 CB PHE A 59 4.320 2.000 6.187 1.00 0.00 C ATOM 891 CG PHE A 59 5.401 1.284 6.943 1.00 0.00 C ATOM 892 CD1 PHE A 59 6.370 1.997 7.623 1.00 0.00 C ATOM 893 CD2 PHE A 59 5.456 -0.095 6.966 1.00 0.00 C ATOM 894 CE1 PHE A 59 7.369 1.350 8.313 1.00 0.00 C ATOM 895 CE2 PHE A 59 6.456 -0.747 7.659 1.00 0.00 C ATOM 896 CZ PHE A 59 7.413 -0.024 8.334 1.00 0.00 C ATOM 0 H PHE A 59 2.143 0.776 7.096 1.00 0.00 H new ATOM 0 HA PHE A 59 3.670 3.162 7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.877 1.311 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.769 2.812 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.343 3.077 7.613 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.710 -0.669 6.437 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.119 1.922 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 59 6.488 -1.826 7.672 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.195 -0.534 8.878 1.00 0.00 H new ATOM 906 N ALA A 60 1.017 3.213 6.226 1.00 0.00 N ATOM 907 CA ALA A 60 0.110 4.001 5.418 1.00 0.00 C ATOM 908 C ALA A 60 -1.222 4.234 6.119 1.00 0.00 C ATOM 909 O ALA A 60 -1.698 3.390 6.875 1.00 0.00 O ATOM 910 CB ALA A 60 -0.104 3.333 4.066 1.00 0.00 C ATOM 0 H ALA A 60 0.580 2.454 6.749 1.00 0.00 H new ATOM 0 HA ALA A 60 0.568 4.978 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.788 3.935 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.851 3.246 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.529 2.340 4.214 1.00 0.00 H new ATOM 916 N VAL A 61 -1.807 5.375 5.875 1.00 0.00 N ATOM 917 CA VAL A 61 -3.090 5.705 6.447 1.00 0.00 C ATOM 918 C VAL A 61 -4.139 5.663 5.348 1.00 0.00 C ATOM 919 O VAL A 61 -3.918 6.181 4.252 1.00 0.00 O ATOM 920 CB VAL A 61 -3.084 7.111 7.149 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.782 8.254 6.177 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.391 7.364 7.882 1.00 0.00 C ATOM 0 H VAL A 61 -1.412 6.101 5.277 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.323 4.972 7.219 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.274 7.088 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.791 9.202 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.800 8.100 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.540 8.275 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.358 8.344 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.218 7.333 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.536 6.596 8.642 1.00 0.00 H new ATOM 932 N GLN A 62 -5.234 5.019 5.599 1.00 0.00 N ATOM 933 CA GLN A 62 -6.270 4.961 4.620 1.00 0.00 C ATOM 934 C GLN A 62 -7.061 6.253 4.612 1.00 0.00 C ATOM 935 O GLN A 62 -7.533 6.724 5.655 1.00 0.00 O ATOM 936 CB GLN A 62 -7.170 3.746 4.798 1.00 0.00 C ATOM 937 CG GLN A 62 -8.336 3.736 3.832 1.00 0.00 C ATOM 938 CD GLN A 62 -9.136 2.470 3.857 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.209 1.784 4.863 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.815 2.204 2.789 1.00 0.00 N ATOM 0 H GLN A 62 -5.433 4.528 6.470 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.797 4.844 3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.581 2.839 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.550 3.727 5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.994 4.574 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.959 3.896 2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.727 2.801 1.967 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.438 1.397 2.769 1.00 0.00 H new ATOM 949 N ILE A 63 -7.167 6.823 3.444 1.00 0.00 N ATOM 950 CA ILE A 63 -7.853 8.067 3.237 1.00 0.00 C ATOM 951 C ILE A 63 -9.300 7.760 2.893 1.00 0.00 C ATOM 952 O ILE A 63 -10.230 8.236 3.542 1.00 0.00 O ATOM 953 CB ILE A 63 -7.211 8.848 2.053 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.691 9.024 2.253 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.888 10.197 1.858 1.00 0.00 C ATOM 956 CD1 ILE A 63 -5.300 9.795 3.504 1.00 0.00 C ATOM 0 H ILE A 63 -6.770 6.427 2.592 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.786 8.674 4.140 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.362 8.257 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.227 8.039 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.281 9.537 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.420 10.722 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.946 10.046 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.783 10.791 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.214 9.869 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.730 10.796 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.675 9.274 4.385 1.00 0.00 H new ATOM 968 N SER A 64 -9.471 6.946 1.898 1.00 0.00 N ATOM 969 CA SER A 64 -10.751 6.548 1.427 1.00 0.00 C ATOM 970 C SER A 64 -10.811 5.057 1.547 1.00 0.00 C ATOM 971 O SER A 64 -11.725 4.538 2.198 1.00 0.00 O ATOM 972 CB SER A 64 -10.915 6.967 -0.018 1.00 0.00 C ATOM 973 OG SER A 64 -10.651 8.361 -0.160 1.00 0.00 O ATOM 974 OXT SER A 64 -9.840 4.412 1.103 1.00 0.00 O ATOM 0 H SER A 64 -8.697 6.531 1.379 1.00 0.00 H new ATOM 0 HA SER A 64 -11.550 7.014 2.004 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.235 6.395 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.927 6.745 -0.356 1.00 0.00 H new ATOM 0 HG SER A 64 -10.758 8.620 -1.099 1.00 0.00 H new TER 980 SER A 64